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 3kqz_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 0.000 174.634 174.600 0.057 0.000 1.055 86 S CA 0.000 58.238 58.200 0.064 0.000 1.107 86 S CB 0.000 63.238 63.200 0.064 0.000 0.593 87 E N 1.848 122.081 120.200 0.055 0.000 2.344 87 E HA 0.506 4.856 4.350 0.001 0.000 0.270 87 E C -0.383 176.257 176.600 0.067 0.000 1.021 87 E CA 0.037 56.468 56.400 0.052 0.000 0.887 87 E CB 0.519 30.244 29.700 0.043 0.000 0.997 87 E HN 0.352 nan 8.360 nan 0.000 0.429 88 V N 6.153 126.108 119.914 0.069 0.000 2.432 88 V HA 0.321 4.442 4.120 0.001 0.000 0.271 88 V C -1.815 174.344 176.094 0.108 0.000 1.046 88 V CA -1.301 61.061 62.300 0.103 0.000 0.945 88 V CB 1.005 32.874 31.823 0.077 0.000 0.992 88 V HN 0.821 nan 8.190 nan 0.000 0.471 89 P HA 0.307 nan 4.420 nan 0.000 0.272 89 P C -0.885 176.448 177.300 0.056 0.000 1.230 89 P CA -0.368 62.765 63.100 0.055 0.000 0.788 89 P CB 0.696 32.388 31.700 -0.014 0.000 0.949 90 Q N -0.168 119.633 119.800 0.001 0.000 2.423 90 Q HA 0.370 4.710 4.340 0.001 0.000 0.278 90 Q C 0.384 176.358 176.000 -0.043 0.000 1.097 90 Q CA -0.984 54.813 55.803 -0.010 0.000 0.809 90 Q CB 2.238 30.972 28.738 -0.006 0.000 1.391 90 Q HN 0.027 nan 8.270 nan 0.000 0.428 91 V N -0.107 119.777 119.914 -0.049 0.000 2.672 91 V HA 0.059 4.179 4.120 0.001 0.000 0.242 91 V C 0.609 176.680 176.094 -0.038 0.000 1.059 91 V CA 0.503 62.771 62.300 -0.054 0.000 1.081 91 V CB 0.703 32.488 31.823 -0.063 0.000 0.752 91 V HN 0.633 nan 8.190 nan 0.000 0.472 92 V N -1.839 118.054 119.914 -0.034 0.000 2.960 92 V HA 0.584 4.705 4.120 0.001 0.000 0.315 92 V C 1.234 177.313 176.094 -0.024 0.000 1.087 92 V CA 0.131 62.415 62.300 -0.027 0.000 0.982 92 V CB 1.513 33.320 31.823 -0.026 0.000 1.039 92 V HN 0.273 nan 8.190 nan 0.000 0.437 93 S N 2.127 117.817 115.700 -0.017 0.000 2.465 93 S HA -0.065 4.405 4.470 0.001 0.000 0.241 93 S C 1.285 175.875 174.600 -0.017 0.000 1.000 93 S CA 1.535 59.727 58.200 -0.013 0.000 0.964 93 S CB -0.831 62.365 63.200 -0.008 0.000 0.763 93 S HN 0.777 nan 8.310 nan 0.000 0.512 94 L N 1.036 122.246 121.223 -0.021 0.000 2.599 94 L HA 0.227 4.567 4.340 0.001 0.000 0.230 94 L C -0.075 176.763 176.870 -0.052 0.000 1.141 94 L CA -0.084 54.742 54.840 -0.024 0.000 0.877 94 L CB -0.455 41.595 42.059 -0.015 0.000 1.009 94 L HN 0.168 nan 8.230 nan 0.000 0.447 95 D N 1.419 121.782 120.400 -0.062 0.000 2.351 95 D HA 0.195 4.836 4.640 0.001 0.000 0.251 95 D C -2.125 174.095 176.300 -0.133 0.000 1.137 95 D CA -1.322 52.616 54.000 -0.104 0.000 0.879 95 D CB 1.027 41.791 40.800 -0.060 0.000 1.181 95 D HN -0.090 nan 8.370 nan 0.000 0.448 96 P HA 0.070 nan 4.420 nan 0.000 0.269 96 P C 0.567 177.781 177.300 -0.143 0.000 1.209 96 P CA -0.075 62.849 63.100 -0.294 0.000 0.776 96 P CB 0.507 31.697 31.700 -0.851 0.000 0.876 97 T N -2.642 111.882 114.554 -0.049 0.000 3.132 97 T HA 0.378 4.728 4.350 0.001 0.000 0.274 97 T C 0.180 174.893 174.700 0.022 0.000 1.011 97 T CA -0.237 61.861 62.100 -0.003 0.000 0.899 97 T CB -0.533 68.344 68.868 0.015 0.000 1.089 97 T HN 0.489 nan 8.240 nan 0.000 0.543 98 S N 0.210 115.937 115.700 0.045 0.000 2.587 98 S HA 0.645 5.116 4.470 0.001 0.000 0.269 98 S C -1.133 173.569 174.600 0.171 0.000 1.154 98 S CA -1.184 57.065 58.200 0.082 0.000 0.824 98 S CB 0.632 63.878 63.200 0.077 0.000 1.118 98 S HN 0.266 nan 8.310 nan 0.000 0.462 99 I N 2.839 123.493 120.570 0.140 0.000 2.416 99 I HA 0.335 4.506 4.170 0.001 0.000 0.288 99 I C -2.010 174.155 176.117 0.079 0.000 1.051 99 I CA -1.876 59.521 61.300 0.162 0.000 1.375 99 I CB 1.006 39.040 38.000 0.056 0.000 1.407 99 I HN 0.489 nan 8.210 nan 0.000 0.516 100 P HA 0.370 nan 4.420 nan 0.000 0.281 100 P C -0.813 176.382 177.300 -0.176 0.000 1.252 100 P CA -0.081 62.963 63.100 -0.093 0.000 0.778 100 P CB 1.185 32.751 31.700 -0.224 0.000 0.895 101 I N 1.715 122.189 120.570 -0.160 0.000 2.498 101 I HA 0.276 4.446 4.170 0.001 0.000 0.290 101 I C 0.335 176.279 176.117 -0.288 0.000 1.032 101 I CA -0.560 60.564 61.300 -0.293 0.000 1.073 101 I CB 2.518 40.293 38.000 -0.375 0.000 1.251 101 I HN 0.275 nan 8.210 nan 0.000 0.426 102 E N 5.242 125.296 120.200 -0.243 0.000 2.092 102 E HA 0.281 4.632 4.350 0.001 0.000 0.271 102 E C -0.683 175.936 176.600 0.031 0.000 0.919 102 E CA -0.181 56.185 56.400 -0.057 0.000 0.760 102 E CB 0.920 30.645 29.700 0.040 0.000 1.106 102 E HN 0.560 nan 8.360 nan 0.000 0.408 103 Y N 2.535 122.910 120.300 0.125 0.000 2.353 103 Y HA 0.100 4.650 4.550 0.001 0.000 0.294 103 Y C 0.559 176.290 175.900 -0.281 0.000 1.135 103 Y CA -0.033 58.037 58.100 -0.049 0.000 1.176 103 Y CB 0.413 38.794 38.460 -0.131 0.000 1.124 103 Y HN 0.411 nan 8.280 nan 0.000 0.537 104 N N 1.194 119.899 118.700 0.009 0.000 2.555 104 N HA 0.125 4.865 4.740 0.001 0.000 0.244 104 N C -0.522 175.023 175.510 0.058 0.000 1.114 104 N CA -0.190 52.826 53.050 -0.058 0.000 0.963 104 N CB 0.567 39.013 38.487 -0.067 0.000 1.276 104 N HN 0.125 nan 8.380 nan 0.000 0.510 105 T N -1.103 113.579 114.554 0.214 0.000 2.934 105 T HA 0.349 4.699 4.350 0.001 0.000 0.283 105 T C -1.798 172.833 174.700 -0.115 0.000 1.005 105 T CA -2.135 59.999 62.100 0.057 0.000 1.041 105 T CB 1.785 70.726 68.868 0.122 0.000 1.042 105 T HN 0.031 nan 8.240 nan 0.000 0.505 106 P HA -0.024 nan 4.420 nan 0.000 0.221 106 P C 1.535 178.542 177.300 -0.488 0.000 1.145 106 P CA 0.420 63.237 63.100 -0.473 0.000 0.795 106 P CB -0.098 31.025 31.700 -0.961 0.000 0.775 107 I N -1.049 119.161 120.570 -0.600 0.000 2.361 107 I HA -0.224 3.946 4.170 0.001 0.000 0.251 107 I C 1.923 177.644 176.117 -0.659 0.000 1.133 107 I CA 1.710 62.568 61.300 -0.737 0.000 1.413 107 I CB -1.766 35.572 38.000 -1.104 0.000 1.073 107 I HN 0.162 nan 8.210 nan 0.000 0.424 108 H N 0.599 119.494 119.070 -0.291 0.000 2.456 108 H HA -0.102 4.454 4.556 0.001 0.000 0.296 108 H C 1.325 176.534 175.328 -0.199 0.000 1.079 108 H CA 1.223 57.145 56.048 -0.211 0.000 1.322 108 H CB 0.002 29.673 29.762 -0.152 0.000 1.388 108 H HN 0.303 nan 8.280 nan 0.000 0.538 109 D N 0.255 120.580 120.400 -0.125 0.000 2.340 109 D HA 0.034 4.675 4.640 0.001 0.000 0.220 109 D C 0.193 176.392 176.300 -0.168 0.000 1.039 109 D CA 0.284 54.211 54.000 -0.122 0.000 0.866 109 D CB 0.209 40.942 40.800 -0.112 0.000 0.913 109 D HN 0.384 nan 8.370 nan 0.000 0.523 110 I N 1.441 121.884 120.570 -0.212 0.000 2.379 110 I HA -0.022 4.149 4.170 0.001 0.000 0.290 110 I C 0.474 176.499 176.117 -0.153 0.000 1.063 110 I CA -0.251 60.931 61.300 -0.197 0.000 1.351 110 I CB 0.515 38.394 38.000 -0.202 0.000 1.410 110 I HN -0.428 nan 8.210 nan 0.000 0.505 111 K N 5.330 125.635 120.400 -0.159 0.000 2.349 111 K HA 0.334 4.654 4.320 0.001 0.000 0.288 111 K C -0.318 176.295 176.600 0.021 0.000 1.058 111 K CA -0.479 55.776 56.287 -0.054 0.000 0.953 111 K CB 1.345 33.840 32.500 -0.009 0.000 0.997 111 K HN 0.406 nan 8.250 nan 0.000 0.477 112 V N 4.132 124.063 119.914 0.027 0.000 2.384 112 V HA 0.322 4.443 4.120 0.001 0.000 0.287 112 V C -0.159 175.922 176.094 -0.021 0.000 1.020 112 V CA -0.677 61.650 62.300 0.046 0.000 0.850 112 V CB 1.440 33.325 31.823 0.103 0.000 0.987 112 V HN 0.776 nan 8.190 nan 0.000 0.436 113 Q N 3.284 123.019 119.800 -0.110 0.000 2.331 113 Q HA 0.637 4.978 4.340 0.001 0.000 0.267 113 Q C -1.182 174.457 176.000 -0.603 0.000 1.006 113 Q CA -0.618 54.971 55.803 -0.356 0.000 0.818 113 Q CB 2.835 31.323 28.738 -0.416 0.000 1.276 113 Q HN 0.593 nan 8.270 nan 0.000 0.450 114 V N 3.462 123.055 119.914 -0.536 0.000 2.472 114 V HA 0.437 4.558 4.120 0.001 0.000 0.290 114 V C -0.873 174.810 176.094 -0.685 0.000 1.037 114 V CA -0.558 61.438 62.300 -0.507 0.000 0.908 114 V CB 0.446 32.136 31.823 -0.222 0.000 0.985 114 V HN 0.629 nan 8.190 nan 0.000 0.454 115 Y N 0.930 121.050 120.300 -0.299 0.000 2.562 115 Y HA 0.444 4.994 4.550 0.001 0.000 0.343 115 Y C 0.253 176.069 175.900 -0.139 0.000 1.025 115 Y CA -1.040 56.895 58.100 -0.274 0.000 1.082 115 Y CB 1.346 39.486 38.460 -0.533 0.000 1.264 115 Y HN 0.508 nan 8.280 nan 0.000 0.478 116 D N 1.572 122.066 120.400 0.157 0.000 2.304 116 D HA 0.092 4.732 4.640 0.001 0.000 0.250 116 D C 0.692 177.128 176.300 0.227 0.000 1.107 116 D CA 0.206 54.285 54.000 0.133 0.000 0.885 116 D CB 1.419 42.274 40.800 0.091 0.000 1.192 116 D HN 0.725 nan 8.370 nan 0.000 0.436 117 I N 3.205 123.896 120.570 0.202 0.000 2.493 117 I HA -0.279 3.891 4.170 0.001 0.000 0.254 117 I C 2.549 178.753 176.117 0.145 0.000 1.160 117 I CA 0.935 62.369 61.300 0.223 0.000 1.445 117 I CB 0.121 38.219 38.000 0.163 0.000 1.086 117 I HN 0.316 nan 8.210 nan 0.000 0.433 118 K N 0.010 120.476 120.400 0.110 0.000 2.281 118 K HA -0.032 4.289 4.320 0.001 0.000 0.203 118 K C 1.610 178.252 176.600 0.070 0.000 1.046 118 K CA 1.178 57.510 56.287 0.076 0.000 0.938 118 K CB -1.795 30.740 32.500 0.059 0.000 0.737 118 K HN 0.550 nan 8.250 nan 0.000 0.458 119 G N -0.227 108.629 108.800 0.093 0.000 3.088 119 G HA2 0.463 4.423 3.960 0.001 0.000 0.217 119 G HA3 0.463 4.423 3.960 0.001 0.000 0.217 119 G C 0.736 175.673 174.900 0.062 0.000 1.159 119 G CA 0.106 45.251 45.100 0.075 0.000 0.760 119 G HN 1.136 nan 8.290 nan 0.000 0.550 120 G N -1.329 107.504 108.800 0.055 0.000 2.712 120 G HA2 -0.102 3.859 3.960 0.001 0.000 0.686 120 G HA3 -0.102 3.859 3.960 0.001 0.000 0.686 120 G C -0.264 174.557 174.900 -0.132 0.000 1.321 120 G CA -0.532 44.555 45.100 -0.021 0.000 0.813 120 G HN 0.728 nan 8.290 nan 0.000 0.599 121 C N 1.852 120.973 119.300 -0.299 0.000 2.307 121 C HA 0.554 5.015 4.460 0.001 0.000 0.340 121 C C 0.407 175.244 174.990 -0.255 0.000 1.275 121 C CA -1.445 57.197 59.018 -0.626 0.000 1.811 121 C CB 0.221 27.548 27.740 -0.689 0.000 2.372 121 C HN 0.670 nan 8.230 nan 0.000 0.531 122 N N 1.784 120.393 118.700 -0.152 0.000 2.458 122 N HA 0.331 5.072 4.740 0.001 0.000 0.270 122 N C -0.684 174.799 175.510 -0.045 0.000 1.102 122 N CA -0.081 52.933 53.050 -0.061 0.000 0.967 122 N CB 1.319 39.784 38.487 -0.036 0.000 1.078 122 N HN 0.476 nan 8.380 nan 0.000 0.471 123 V N 2.458 122.354 119.914 -0.030 0.000 2.284 123 V HA 0.238 4.359 4.120 0.001 0.000 0.274 123 V C 0.577 176.658 176.094 -0.021 0.000 1.023 123 V CA -0.304 61.987 62.300 -0.016 0.000 0.808 123 V CB 0.958 32.785 31.823 0.007 0.000 1.035 123 V HN 0.683 nan 8.190 nan 0.000 0.445 124 E N 2.675 122.862 120.200 -0.021 0.000 2.536 124 E HA 0.207 4.558 4.350 0.001 0.000 0.220 124 E C 0.319 176.897 176.600 -0.037 0.000 0.876 124 E CA 0.074 56.457 56.400 -0.028 0.000 1.190 124 E CB 1.093 30.780 29.700 -0.022 0.000 1.191 124 E HN 0.938 nan 8.360 nan 0.000 0.557 125 E N -1.596 118.584 120.200 -0.033 0.000 2.442 125 E HA 0.508 4.858 4.350 0.001 0.000 0.278 125 E C 0.545 177.133 176.600 -0.020 0.000 1.082 125 E CA -0.838 55.542 56.400 -0.034 0.000 0.861 125 E CB 0.409 30.093 29.700 -0.026 0.000 1.462 125 E HN 0.026 nan 8.360 nan 0.000 0.458 126 G N 0.150 108.944 108.800 -0.011 0.000 2.652 126 G HA2 -0.266 3.695 3.960 0.001 0.000 0.318 126 G HA3 -0.266 3.695 3.960 0.001 0.000 0.318 126 G C -0.622 174.275 174.900 -0.005 0.000 1.295 126 G CA 0.822 45.925 45.100 0.006 0.000 0.999 126 G HN 0.809 nan 8.290 nan 0.000 0.548 127 L N 0.045 121.267 121.223 -0.001 0.000 2.385 127 L HA 0.751 5.091 4.340 0.001 0.000 0.273 127 L C -0.067 176.786 176.870 -0.029 0.000 0.990 127 L CA -0.149 54.682 54.840 -0.015 0.000 0.821 127 L CB 2.329 44.375 42.059 -0.022 0.000 1.279 127 L HN 0.680 nan 8.230 nan 0.000 0.412 128 T N 6.220 120.752 114.554 -0.037 0.000 2.809 128 T HA 0.575 4.925 4.350 0.001 0.000 0.296 128 T C -0.476 174.161 174.700 -0.105 0.000 1.015 128 T CA -0.259 61.794 62.100 -0.079 0.000 0.954 128 T CB 0.634 69.468 68.868 -0.056 0.000 0.950 128 T HN 0.266 nan 8.240 nan 0.000 0.450 129 I N 3.821 124.281 120.570 -0.183 0.000 2.354 129 I HA 0.425 4.595 4.170 0.001 0.000 0.292 129 I C -0.435 175.531 176.117 -0.252 0.000 0.989 129 I CA -1.214 59.996 61.300 -0.150 0.000 1.188 129 I CB 0.878 38.780 38.000 -0.164 0.000 1.342 129 I HN 0.532 nan 8.210 nan 0.000 0.457 130 F N 5.871 125.806 119.950 -0.025 0.000 2.411 130 F HA 0.378 4.905 4.527 0.001 0.000 0.350 130 F C 0.457 176.232 175.800 -0.042 0.000 1.114 130 F CA -0.532 57.457 58.000 -0.018 0.000 1.135 130 F CB 0.797 39.822 39.000 0.041 0.000 1.120 130 F HN 0.135 nan 8.300 nan 0.000 0.495 131 L N 5.323 126.525 121.223 -0.036 0.000 2.283 131 L HA 0.517 4.857 4.340 0.001 0.000 0.287 131 L C -0.297 176.582 176.870 0.016 0.000 1.073 131 L CA -0.648 54.128 54.840 -0.106 0.000 0.822 131 L CB 0.726 42.517 42.059 -0.446 0.000 1.186 131 L HN 0.446 nan 8.230 nan 0.000 0.436 132 V N 4.341 124.305 119.914 0.083 0.000 2.789 132 V HA 0.650 4.770 4.120 0.001 0.000 0.311 132 V C -0.984 175.142 176.094 0.053 0.000 1.073 132 V CA -0.438 61.901 62.300 0.066 0.000 0.921 132 V CB 2.219 34.065 31.823 0.040 0.000 1.009 132 V HN 0.885 nan 8.190 nan 0.000 0.426 133 N N 3.722 122.445 118.700 0.038 0.000 2.653 133 N HA 0.520 5.261 4.740 0.001 0.000 0.294 133 N C -1.344 174.179 175.510 0.022 0.000 1.305 133 N CA -0.762 52.312 53.050 0.039 0.000 0.827 133 N CB 1.778 40.294 38.487 0.049 0.000 1.415 133 N HN 0.606 nan 8.380 nan 0.000 0.546 134 N N -0.317 118.398 118.700 0.026 0.000 2.675 134 N HA 0.370 5.111 4.740 0.001 0.000 0.254 134 N C -2.980 172.544 175.510 0.023 0.000 1.224 134 N CA -1.080 51.980 53.050 0.017 0.000 0.777 134 N CB 1.163 39.655 38.487 0.008 0.000 1.256 134 N HN 0.379 nan 8.380 nan 0.000 0.531 135 P HA 0.188 nan 4.420 nan 0.000 0.262 135 P C 0.887 178.201 177.300 0.023 0.000 1.199 135 P CA 0.771 63.888 63.100 0.028 0.000 0.763 135 P CB 0.575 32.292 31.700 0.029 0.000 0.790 136 G N 1.663 110.478 108.800 0.025 0.000 3.400 136 G HA2 -0.263 3.697 3.960 0.001 0.000 0.209 136 G HA3 -0.263 3.697 3.960 0.001 0.000 0.209 136 G C 0.511 175.423 174.900 0.020 0.000 1.411 136 G CA 0.037 45.149 45.100 0.021 0.000 0.917 136 G HN 0.789 nan 8.290 nan 0.000 0.570 137 K N 1.687 122.098 120.400 0.017 0.000 2.245 137 K HA 0.668 4.988 4.320 0.001 0.000 0.281 137 K C 0.408 177.022 176.600 0.023 0.000 1.079 137 K CA 1.626 57.923 56.287 0.016 0.000 1.000 137 K CB -1.156 31.351 32.500 0.011 0.000 1.038 137 K HN 2.069 nan 8.250 nan 0.000 0.430 138 E N 3.517 123.732 120.200 0.024 0.000 2.606 138 E HA 0.129 4.479 4.350 0.001 0.000 0.248 138 E C 0.379 176.999 176.600 0.032 0.000 1.005 138 E CA 0.101 56.519 56.400 0.029 0.000 0.946 138 E CB -0.722 28.994 29.700 0.027 0.000 0.928 138 E HN 0.758 nan 8.360 nan 0.000 0.494 139 N N 0.836 119.561 118.700 0.041 0.000 2.721 139 N HA -0.129 4.611 4.740 0.001 0.000 0.249 139 N C 0.625 176.161 175.510 0.042 0.000 1.072 139 N CA 1.150 54.230 53.050 0.050 0.000 0.710 139 N CB -1.701 36.817 38.487 0.051 0.000 0.993 139 N HN 1.052 nan 8.380 nan 0.000 0.547 140 G N 0.379 109.198 108.800 0.031 0.000 2.683 140 G HA2 0.380 4.341 3.960 0.001 0.000 0.260 140 G HA3 0.380 4.341 3.960 0.001 0.000 0.260 140 G C -2.047 172.861 174.900 0.013 0.000 1.238 140 G CA -0.587 44.524 45.100 0.017 0.000 0.934 140 G HN 0.099 nan 8.290 nan 0.000 0.534 141 P HA 0.183 nan 4.420 nan 0.000 0.274 141 P C -0.272 176.997 177.300 -0.053 0.000 1.246 141 P CA -0.355 62.732 63.100 -0.021 0.000 0.795 141 P CB 1.131 32.808 31.700 -0.038 0.000 1.006 142 V N 2.914 122.774 119.914 -0.090 0.000 2.455 142 V HA 0.143 4.264 4.120 0.001 0.000 0.273 142 V C 0.683 176.696 176.094 -0.134 0.000 1.045 142 V CA 0.430 62.615 62.300 -0.193 0.000 0.976 142 V CB -0.224 31.365 31.823 -0.391 0.000 0.993 142 V HN 0.479 nan 8.190 nan 0.000 0.475 143 K N 5.656 125.981 120.400 -0.125 0.000 2.613 143 K HA 0.499 4.819 4.320 0.001 0.000 0.248 143 K C -1.081 175.450 176.600 -0.115 0.000 0.959 143 K CA -0.650 55.572 56.287 -0.107 0.000 0.855 143 K CB 1.748 34.204 32.500 -0.073 0.000 1.143 143 K HN 0.410 nan 8.250 nan 0.000 0.437 144 I N 2.834 123.305 120.570 -0.165 0.000 2.556 144 I HA -0.045 4.126 4.170 0.001 0.000 0.284 144 I C 1.517 177.568 176.117 -0.110 0.000 1.114 144 I CA 0.515 61.689 61.300 -0.211 0.000 1.418 144 I CB 0.849 38.588 38.000 -0.435 0.000 1.394 144 I HN 0.744 nan 8.210 nan 0.000 0.552 145 S N 2.830 118.508 115.700 -0.037 0.000 2.497 145 S HA 0.117 4.587 4.470 0.001 0.000 0.221 145 S C 0.850 175.465 174.600 0.024 0.000 1.037 145 S CA -0.342 57.857 58.200 -0.002 0.000 0.920 145 S CB 0.092 63.305 63.200 0.021 0.000 0.800 145 S HN 0.553 nan 8.310 nan 0.000 0.505 146 S N 2.766 118.508 115.700 0.069 0.000 2.549 146 S HA 0.515 4.985 4.470 0.001 0.000 0.283 146 S C 0.365 174.995 174.600 0.050 0.000 1.320 146 S CA -0.190 58.066 58.200 0.094 0.000 1.058 146 S CB 0.606 63.921 63.200 0.192 0.000 0.882 146 S HN 0.825 nan 8.310 nan 0.000 0.498 147 K N 1.834 122.253 120.400 0.032 0.000 2.448 147 K HA 0.376 4.696 4.320 0.001 0.000 0.278 147 K C -0.380 176.226 176.600 0.010 0.000 1.009 147 K CA -0.195 56.100 56.287 0.013 0.000 0.995 147 K CB -0.038 32.468 32.500 0.010 0.000 0.917 147 K HN 0.505 nan 8.250 nan 0.000 0.481 148 V N 3.121 123.039 119.914 0.008 0.000 2.487 148 V HA 0.236 4.357 4.120 0.001 0.000 0.298 148 V C -0.354 175.737 176.094 -0.005 0.000 1.028 148 V CA -1.163 61.143 62.300 0.009 0.000 0.860 148 V CB 1.835 33.690 31.823 0.052 0.000 0.991 148 V HN 0.925 nan 8.190 nan 0.000 0.427 149 N N 4.201 122.889 118.700 -0.021 0.000 3.259 149 N HA 0.214 4.954 4.740 0.001 0.000 0.308 149 N C -0.556 174.950 175.510 -0.006 0.000 1.334 149 N CA 0.148 53.189 53.050 -0.015 0.000 1.202 149 N CB 0.029 38.502 38.487 -0.023 0.000 1.485 149 N HN 0.730 nan 8.380 nan 0.000 0.549 150 D N -0.416 119.986 120.400 0.004 0.000 2.484 150 D HA 0.081 4.721 4.640 0.001 0.000 0.206 150 D C 0.806 177.117 176.300 0.018 0.000 1.322 150 D CA -0.190 53.816 54.000 0.011 0.000 0.913 150 D CB 0.884 41.692 40.800 0.013 0.000 1.559 150 D HN 0.146 nan 8.370 nan 0.000 0.565 151 K N 2.567 122.977 120.400 0.018 0.000 2.020 151 K HA -0.233 4.087 4.320 0.001 0.000 0.212 151 K C 1.706 178.326 176.600 0.033 0.000 1.050 151 K CA 1.570 57.869 56.287 0.020 0.000 0.929 151 K CB -0.661 31.848 32.500 0.016 0.000 0.714 151 K HN 0.474 nan 8.250 nan 0.000 0.443 152 Q N 0.050 119.877 119.800 0.044 0.000 2.050 152 Q HA -0.067 4.273 4.340 0.001 0.000 0.202 152 Q C 2.370 178.426 176.000 0.092 0.000 0.980 152 Q CA 1.719 57.564 55.803 0.069 0.000 0.840 152 Q CB -0.602 28.180 28.738 0.074 0.000 0.898 152 Q HN 0.455 nan 8.270 nan 0.000 0.424 153 V N 0.645 120.601 119.914 0.070 0.000 2.453 153 V HA -0.166 3.954 4.120 0.001 0.000 0.247 153 V C 2.320 178.469 176.094 0.092 0.000 1.048 153 V CA 1.599 63.951 62.300 0.086 0.000 1.049 153 V CB -0.642 31.216 31.823 0.059 0.000 0.672 153 V HN 0.244 nan 8.190 nan 0.000 0.457 154 S N -0.352 115.379 115.700 0.051 0.000 2.383 154 S HA -0.234 4.237 4.470 0.001 0.000 0.229 154 S C 2.138 176.747 174.600 0.016 0.000 1.030 154 S CA 1.699 59.911 58.200 0.020 0.000 1.002 154 S CB -0.256 62.948 63.200 0.006 0.000 0.829 154 S HN 0.657 nan 8.310 nan 0.000 0.467 155 E N 0.322 120.545 120.200 0.038 0.000 2.051 155 E HA -0.086 4.264 4.350 0.001 0.000 0.192 155 E C 1.642 178.245 176.600 0.006 0.000 0.991 155 E CA 0.950 57.361 56.400 0.019 0.000 0.799 155 E CB -0.580 29.141 29.700 0.036 0.000 0.748 155 E HN 0.705 nan 8.360 nan 0.000 0.449 156 F N 0.351 120.263 119.950 -0.063 0.000 2.202 156 F HA -0.007 4.521 4.527 0.001 0.000 0.301 156 F C 1.798 177.503 175.800 -0.158 0.000 1.082 156 F CA 1.298 59.236 58.000 -0.102 0.000 1.313 156 F CB 0.114 39.062 39.000 -0.087 0.000 1.024 156 F HN 0.096 nan 8.300 nan 0.000 0.495 157 L N -0.499 120.731 121.223 0.011 0.000 2.628 157 L HA 0.055 4.395 4.340 0.001 0.000 0.229 157 L C 0.731 177.521 176.870 -0.133 0.000 1.137 157 L CA -0.224 54.568 54.840 -0.079 0.000 0.909 157 L CB -0.601 41.403 42.059 -0.092 0.000 1.137 157 L HN -0.355 nan 8.230 nan 0.000 0.470 158 K N 0.348 120.667 120.400 -0.134 0.000 2.518 158 K HA -0.086 4.234 4.320 0.001 0.000 0.276 158 K C 0.777 177.290 176.600 -0.145 0.000 0.974 158 K CA -0.046 56.165 56.287 -0.127 0.000 0.986 158 K CB 0.615 33.043 32.500 -0.121 0.000 0.901 158 K HN 0.135 nan 8.250 nan 0.000 0.497 159 D N 1.628 121.957 120.400 -0.118 0.000 2.116 159 D HA -0.157 4.484 4.640 0.001 0.000 0.193 159 D C 2.061 178.281 176.300 -0.133 0.000 0.998 159 D CA 1.925 55.856 54.000 -0.114 0.000 0.836 159 D CB -0.140 40.606 40.800 -0.089 0.000 0.951 159 D HN 0.636 nan 8.370 nan 0.000 0.449 160 E N 0.347 120.468 120.200 -0.133 0.000 2.086 160 E HA -0.242 4.109 4.350 0.001 0.000 0.200 160 E C 1.883 178.364 176.600 -0.198 0.000 1.012 160 E CA 1.320 57.633 56.400 -0.146 0.000 0.812 160 E CB -0.970 28.652 29.700 -0.130 0.000 0.743 160 E HN 0.402 nan 8.360 nan 0.000 0.453 161 N N -0.684 117.871 118.700 -0.241 0.000 2.409 161 N HA -0.026 4.714 4.740 0.001 0.000 0.179 161 N C 1.368 176.683 175.510 -0.325 0.000 1.032 161 N CA 0.820 53.667 53.050 -0.338 0.000 0.898 161 N CB -0.070 38.122 38.487 -0.492 0.000 0.971 161 N HN 0.150 nan 8.380 nan 0.000 0.441 162 M N 0.170 119.641 119.600 -0.215 0.000 2.502 162 M HA 0.069 4.550 4.480 0.001 0.000 0.243 162 M C 1.210 177.426 176.300 -0.141 0.000 1.130 162 M CA 0.446 55.705 55.300 -0.069 0.000 1.055 162 M CB -0.398 32.180 32.600 -0.036 0.000 1.457 162 M HN 0.302 nan 8.290 nan 0.000 0.488 163 E N 1.267 121.333 120.200 -0.223 0.000 2.208 163 E HA -0.188 4.163 4.350 0.001 0.000 0.193 163 E C 1.483 177.947 176.600 -0.228 0.000 0.988 163 E CA 1.080 57.373 56.400 -0.179 0.000 0.828 163 E CB -0.513 29.096 29.700 -0.152 0.000 0.763 163 E HN 0.570 nan 8.360 nan 0.000 0.478 164 K N 0.591 120.729 120.400 -0.435 0.000 2.442 164 K HA -0.026 4.294 4.320 0.001 0.000 0.198 164 K C -0.225 176.141 176.600 -0.389 0.000 1.042 164 K CA 0.574 56.573 56.287 -0.481 0.000 0.958 164 K CB -0.309 31.807 32.500 -0.639 0.000 0.766 164 K HN 0.106 nan 8.250 nan 0.000 0.474 165 F N 2.083 122.064 119.950 0.052 0.000 2.450 165 F HA 0.276 4.804 4.527 0.001 0.000 0.332 165 F C 0.277 176.099 175.800 0.036 0.000 1.093 165 F CA -1.487 56.580 58.000 0.112 0.000 1.003 165 F CB 1.131 40.261 39.000 0.217 0.000 1.151 165 F HN 0.035 nan 8.300 nan 0.000 0.474 166 N N -0.587 118.294 118.700 0.302 0.000 2.619 166 N HA 0.474 5.215 4.740 0.001 0.000 0.294 166 N C -0.265 175.359 175.510 0.190 0.000 1.279 166 N CA -0.857 52.291 53.050 0.163 0.000 0.867 166 N CB 1.390 39.950 38.487 0.122 0.000 1.329 166 N HN 0.380 nan 8.380 nan 0.000 0.557 167 V N -4.195 115.791 119.914 0.120 0.000 3.514 167 V HA 0.299 4.419 4.120 0.001 0.000 0.301 167 V C 0.614 176.790 176.094 0.137 0.000 1.346 167 V CA -0.410 61.973 62.300 0.138 0.000 1.156 167 V CB -1.459 30.404 31.823 0.067 0.000 1.029 167 V HN 0.702 nan 8.190 nan 0.000 0.428 168 K N 1.858 122.333 120.400 0.126 0.000 2.511 168 K HA -0.025 4.296 4.320 0.001 0.000 0.277 168 K C 0.166 176.819 176.600 0.089 0.000 1.025 168 K CA 0.002 56.346 56.287 0.095 0.000 1.112 168 K CB 0.095 32.646 32.500 0.085 0.000 0.859 168 K HN 0.562 nan 8.250 nan 0.000 0.485 169 L N 4.962 126.229 121.223 0.072 0.000 2.700 169 L HA -0.115 4.225 4.340 0.001 0.000 0.276 169 L C 1.144 178.044 176.870 0.050 0.000 1.200 169 L CA 1.790 56.669 54.840 0.065 0.000 0.951 169 L CB -0.499 41.597 42.059 0.061 0.000 1.226 169 L HN 1.173 nan 8.230 nan 0.000 0.489 170 G N 2.270 111.092 108.800 0.036 0.000 2.175 170 G HA2 -0.265 3.696 3.960 0.001 0.000 0.244 170 G HA3 -0.265 3.696 3.960 0.001 0.000 0.244 170 G C 0.463 175.346 174.900 -0.028 0.000 0.982 170 G CA 0.306 45.408 45.100 0.003 0.000 0.641 170 G HN 0.657 nan 8.290 nan 0.000 0.527 171 T N 1.117 115.667 114.554 -0.006 0.000 2.913 171 T HA 0.591 4.941 4.350 0.001 0.000 0.297 171 T C 0.535 175.101 174.700 -0.223 0.000 1.029 171 T CA 1.079 63.153 62.100 -0.045 0.000 1.104 171 T CB 0.763 69.670 68.868 0.065 0.000 0.964 171 T HN 1.520 nan 8.240 nan 0.000 0.532 172 S N 2.933 118.414 115.700 -0.365 0.000 2.579 172 S HA 0.827 5.298 4.470 0.001 0.000 0.272 172 S C -1.503 172.659 174.600 -0.731 0.000 1.141 172 S CA -1.115 56.656 58.200 -0.715 0.000 0.843 172 S CB 2.055 64.937 63.200 -0.530 0.000 1.122 172 S HN 0.587 nan 8.310 nan 0.000 0.468 173 K N 0.078 119.847 120.400 -1.050 0.000 2.482 173 K HA 0.646 4.966 4.320 0.001 0.000 0.257 173 K C -1.865 174.159 176.600 -0.961 0.000 0.969 173 K CA -0.487 55.319 56.287 -0.802 0.000 0.842 173 K CB 1.610 33.610 32.500 -0.833 0.000 1.359 173 K HN 0.822 nan 8.250 nan 0.000 0.441 174 H N 0.540 119.207 119.070 -0.672 0.000 2.495 174 H HA 0.569 5.126 4.556 0.001 0.000 0.348 174 H C -1.023 174.039 175.328 -0.443 0.000 1.113 174 H CA -0.417 55.302 56.048 -0.548 0.000 1.195 174 H CB 0.913 30.534 29.762 -0.236 0.000 1.521 174 H HN 0.326 nan 8.280 nan 0.000 0.509 175 F N 1.595 121.598 119.950 0.089 0.000 2.577 175 F HA 0.318 4.846 4.527 0.001 0.000 0.318 175 F C -0.993 174.760 175.800 -0.078 0.000 1.065 175 F CA -1.175 56.806 58.000 -0.032 0.000 0.929 175 F CB 1.814 40.680 39.000 -0.223 0.000 1.237 175 F HN 0.419 nan 8.300 nan 0.000 0.468 176 Y N 5.061 125.311 120.300 -0.085 0.000 2.391 176 Y HA 0.723 5.273 4.550 0.001 0.000 0.341 176 Y C -0.833 174.903 175.900 -0.274 0.000 0.965 176 Y CA -1.077 56.929 58.100 -0.158 0.000 1.067 176 Y CB 1.438 39.845 38.460 -0.088 0.000 1.199 176 Y HN 0.648 nan 8.280 nan 0.000 0.450 177 M N 3.904 123.059 119.600 -0.741 0.000 2.773 177 M HA 0.519 4.999 4.480 0.001 0.000 0.270 177 M C -2.326 173.577 176.300 -0.662 0.000 1.238 177 M CA -0.741 54.239 55.300 -0.535 0.000 0.832 177 M CB 2.291 34.674 32.600 -0.363 0.000 1.672 177 M HN 0.532 nan 8.290 nan 0.000 0.480 178 F N 2.795 122.598 119.950 -0.246 0.000 2.411 178 F HA 0.400 4.927 4.527 0.001 0.000 0.352 178 F C 0.620 176.361 175.800 -0.098 0.000 1.123 178 F CA -0.251 57.648 58.000 -0.168 0.000 1.044 178 F CB 1.222 40.164 39.000 -0.096 0.000 1.135 178 F HN 0.742 nan 8.300 nan 0.000 0.461 179 N N 1.219 119.939 118.700 0.035 0.000 2.290 179 N HA 0.001 4.741 4.740 0.001 0.000 0.269 179 N C 0.556 176.104 175.510 0.064 0.000 1.295 179 N CA -0.209 52.860 53.050 0.032 0.000 0.932 179 N CB 0.281 38.765 38.487 -0.006 0.000 1.128 179 N HN 0.431 nan 8.380 nan 0.000 0.532 180 D N -0.968 119.456 120.400 0.039 0.000 2.182 180 D HA -0.118 4.523 4.640 0.001 0.000 0.201 180 D C 0.348 176.670 176.300 0.036 0.000 0.986 180 D CA 1.078 55.099 54.000 0.035 0.000 0.847 180 D CB -0.365 40.448 40.800 0.021 0.000 0.942 180 D HN 0.502 nan 8.370 nan 0.000 0.467 181 N N 0.597 119.319 118.700 0.037 0.000 2.421 181 N HA -0.027 4.713 4.740 0.001 0.000 0.201 181 N C 0.696 176.244 175.510 0.063 0.000 1.198 181 N CA 0.710 53.782 53.050 0.037 0.000 0.838 181 N CB -0.049 38.453 38.487 0.025 0.000 1.011 181 N HN 0.264 nan 8.380 nan 0.000 0.463 182 K N -0.022 120.433 120.400 0.091 0.000 3.012 182 K HA -0.218 4.102 4.320 0.001 0.000 0.259 182 K C -0.149 176.630 176.600 0.298 0.000 0.989 182 K CA 1.143 57.524 56.287 0.158 0.000 0.728 182 K CB -2.637 29.893 32.500 0.051 0.000 1.260 182 K HN 0.356 nan 8.250 nan 0.000 0.480 183 N N 0.375 119.199 118.700 0.208 0.000 2.405 183 N HA 0.430 5.171 4.740 0.001 0.000 0.299 183 N C 0.110 175.522 175.510 -0.163 0.000 1.075 183 N CA 0.131 53.238 53.050 0.096 0.000 0.884 183 N CB 1.853 40.346 38.487 0.010 0.000 1.194 183 N HN 0.726 nan 8.380 nan 0.000 0.491 184 S N 0.278 115.728 115.700 -0.417 0.000 2.549 184 S HA 0.415 4.886 4.470 0.001 0.000 0.279 184 S C 0.001 174.264 174.600 -0.562 0.000 1.321 184 S CA -0.442 57.176 58.200 -0.970 0.000 1.054 184 S CB 0.710 63.353 63.200 -0.928 0.000 0.899 184 S HN 0.294 nan 8.310 nan 0.000 0.497 185 V N 2.120 121.639 119.914 -0.660 0.000 2.777 185 V HA 0.716 4.836 4.120 0.001 0.000 0.306 185 V C -0.335 175.575 176.094 -0.307 0.000 1.112 185 V CA -0.400 61.691 62.300 -0.348 0.000 0.917 185 V CB 1.905 33.583 31.823 -0.243 0.000 1.018 185 V HN 1.325 nan 8.190 nan 0.000 0.426 186 A N 5.519 128.258 122.820 -0.136 0.000 2.292 186 A HA 0.888 5.209 4.320 0.001 0.000 0.319 186 A C -0.888 176.687 177.584 -0.015 0.000 1.206 186 A CA -0.385 51.628 52.037 -0.040 0.000 0.835 186 A CB 1.365 20.388 19.000 0.037 0.000 1.164 186 A HN 0.821 nan 8.150 nan 0.000 0.505 187 V N 1.243 121.167 119.914 0.016 0.000 3.001 187 V HA 0.938 5.059 4.120 0.001 0.000 0.314 187 V C 0.635 176.676 176.094 -0.088 0.000 1.099 187 V CA 0.254 62.607 62.300 0.088 0.000 0.989 187 V CB 2.238 34.210 31.823 0.248 0.000 1.040 187 V HN 1.451 nan 8.190 nan 0.000 0.434 188 G N 0.934 109.686 108.800 -0.080 0.000 2.619 188 G HA2 0.708 4.668 3.960 0.001 0.000 0.305 188 G HA3 0.708 4.668 3.960 0.001 0.000 0.305 188 G C -1.989 172.889 174.900 -0.037 0.000 1.330 188 G CA -0.283 44.551 45.100 -0.443 0.000 0.789 188 G HN 1.262 nan 8.290 nan 0.000 0.487 189 Y N -1.888 118.242 120.300 -0.284 0.000 2.581 189 Y HA 0.763 5.313 4.550 0.001 0.000 0.337 189 Y C -1.562 174.240 175.900 -0.163 0.000 1.108 189 Y CA -1.437 56.608 58.100 -0.091 0.000 1.033 189 Y CB 1.586 40.056 38.460 0.016 0.000 1.318 189 Y HN 0.530 nan 8.280 nan 0.000 0.459 190 V N 2.808 122.684 119.914 -0.062 0.000 2.495 190 V HA 0.710 4.831 4.120 0.001 0.000 0.298 190 V C 0.475 176.670 176.094 0.169 0.000 1.031 190 V CA -0.384 61.842 62.300 -0.125 0.000 0.871 190 V CB 1.569 33.322 31.823 -0.117 0.000 0.988 190 V HN 1.131 nan 8.190 nan 0.000 0.432 191 G N 2.110 111.027 108.800 0.195 0.000 2.378 191 G HA2 0.292 4.252 3.960 0.001 0.000 0.255 191 G HA3 0.292 4.252 3.960 0.001 0.000 0.255 191 G C 0.420 175.389 174.900 0.115 0.000 1.270 191 G CA -0.178 45.065 45.100 0.238 0.000 0.876 191 G HN 0.900 nan 8.290 nan 0.000 0.521 192 C N 2.278 121.636 119.300 0.097 0.000 2.881 192 C HA 0.650 5.110 4.460 0.001 0.000 0.290 192 C C 1.619 176.652 174.990 0.073 0.000 1.362 192 C CA -0.017 59.046 59.018 0.074 0.000 1.757 192 C CB -1.572 26.203 27.740 0.059 0.000 2.265 192 C HN 1.399 nan 8.230 nan 0.000 0.600 193 G N 2.015 110.861 108.800 0.075 0.000 2.593 193 G HA2 -0.193 3.768 3.960 0.001 0.000 0.237 193 G HA3 -0.193 3.768 3.960 0.001 0.000 0.237 193 G C 0.542 175.476 174.900 0.056 0.000 1.312 193 G CA 0.292 45.431 45.100 0.066 0.000 0.896 193 G HN 0.900 nan 8.290 nan 0.000 0.574 194 S N -1.883 113.848 115.700 0.050 0.000 2.666 194 S HA 0.485 4.956 4.470 0.001 0.000 0.239 194 S C 0.356 174.982 174.600 0.042 0.000 1.031 194 S CA 0.810 59.036 58.200 0.042 0.000 1.015 194 S CB 0.794 64.016 63.200 0.037 0.000 0.981 194 S HN 1.421 nan 8.310 nan 0.000 0.547 195 V N 2.885 122.828 119.914 0.048 0.000 2.368 195 V HA 0.594 4.715 4.120 0.001 0.000 0.266 195 V C 1.501 177.627 176.094 0.054 0.000 1.045 195 V CA -0.045 62.285 62.300 0.048 0.000 0.899 195 V CB 0.284 32.137 31.823 0.051 0.000 1.006 195 V HN 0.461 nan 8.190 nan 0.000 0.470 196 A N 3.019 125.870 122.820 0.050 0.000 2.131 196 A HA 0.022 4.343 4.320 0.001 0.000 0.220 196 A C 1.250 178.872 177.584 0.064 0.000 1.158 196 A CA 1.408 53.478 52.037 0.055 0.000 0.665 196 A CB -0.643 18.386 19.000 0.048 0.000 0.795 196 A HN 0.960 nan 8.150 nan 0.000 0.460 197 D N 0.220 120.656 120.400 0.061 0.000 2.473 197 D HA 0.572 5.213 4.640 0.001 0.000 0.226 197 D C -0.356 175.987 176.300 0.071 0.000 1.089 197 D CA -0.548 53.491 54.000 0.065 0.000 0.883 197 D CB 0.091 40.924 40.800 0.056 0.000 1.029 197 D HN 0.326 nan 8.370 nan 0.000 0.517 198 L N 2.179 123.454 121.223 0.086 0.000 2.360 198 L HA 0.360 4.700 4.340 0.001 0.000 0.276 198 L C 1.390 178.311 176.870 0.086 0.000 1.121 198 L CA -0.570 54.327 54.840 0.095 0.000 0.845 198 L CB 1.283 43.416 42.059 0.123 0.000 1.143 198 L HN 0.611 nan 8.230 nan 0.000 0.452 199 S N 1.743 117.490 115.700 0.079 0.000 2.669 199 S HA 0.091 4.562 4.470 0.001 0.000 0.270 199 S C 0.995 175.619 174.600 0.040 0.000 1.225 199 S CA -0.630 57.602 58.200 0.053 0.000 0.991 199 S CB 1.605 64.845 63.200 0.066 0.000 0.987 199 S HN 0.750 nan 8.310 nan 0.000 0.552 200 E N 1.478 121.643 120.200 -0.059 0.000 2.095 200 E HA -0.326 4.024 4.350 0.001 0.000 0.212 200 E C 1.973 178.624 176.600 0.086 0.000 1.044 200 E CA 2.130 58.421 56.400 -0.181 0.000 0.857 200 E CB -0.916 28.620 29.700 -0.273 0.000 0.764 200 E HN 0.842 nan 8.360 nan 0.000 0.462 201 A N 0.963 123.848 122.820 0.108 0.000 1.969 201 A HA -0.176 4.145 4.320 0.001 0.000 0.218 201 A C 1.864 179.535 177.584 0.146 0.000 1.169 201 A CA 1.741 53.867 52.037 0.149 0.000 0.635 201 A CB -0.391 18.690 19.000 0.135 0.000 0.810 201 A HN 0.342 nan 8.150 nan 0.000 0.445 202 D N -0.777 119.701 120.400 0.130 0.000 2.097 202 D HA -0.146 4.495 4.640 0.001 0.000 0.197 202 D C 1.811 178.206 176.300 0.158 0.000 0.984 202 D CA 1.685 55.760 54.000 0.124 0.000 0.826 202 D CB -0.392 40.472 40.800 0.107 0.000 0.973 202 D HN 0.387 nan 8.370 nan 0.000 0.460 203 M N 0.985 120.717 119.600 0.220 0.000 2.159 203 M HA -0.130 4.351 4.480 0.001 0.000 0.263 203 M C 1.834 178.288 176.300 0.256 0.000 1.063 203 M CA 1.495 56.972 55.300 0.295 0.000 1.110 203 M CB -0.176 32.697 32.600 0.456 0.000 1.374 203 M HN -0.196 nan 8.290 nan 0.000 0.411 204 K N -0.469 120.105 120.400 0.290 0.000 2.057 204 K HA -0.123 4.198 4.320 0.001 0.000 0.207 204 K C 2.024 178.678 176.600 0.089 0.000 1.049 204 K CA 1.555 57.946 56.287 0.173 0.000 0.931 204 K CB -0.088 32.550 32.500 0.229 0.000 0.714 204 K HN 0.367 nan 8.250 nan 0.000 0.440 205 R N -0.190 120.369 120.500 0.098 0.000 2.092 205 R HA -0.074 4.267 4.340 0.001 0.000 0.231 205 R C 2.224 178.543 176.300 0.032 0.000 1.119 205 R CA 1.374 57.508 56.100 0.058 0.000 0.970 205 R CB -0.410 29.927 30.300 0.061 0.000 0.864 205 R HN 0.056 nan 8.270 nan 0.000 0.440 206 V N 0.689 120.636 119.914 0.056 0.000 2.287 206 V HA -0.234 3.886 4.120 0.001 0.000 0.248 206 V C 2.360 178.452 176.094 -0.004 0.000 1.053 206 V CA 1.722 64.047 62.300 0.042 0.000 1.027 206 V CB -0.347 31.535 31.823 0.099 0.000 0.646 206 V HN 0.125 nan 8.190 nan 0.000 0.447 207 V N -0.818 119.076 119.914 -0.034 0.000 2.379 207 V HA -0.178 3.943 4.120 0.001 0.000 0.245 207 V C 2.363 178.358 176.094 -0.166 0.000 1.044 207 V CA 1.287 63.478 62.300 -0.183 0.000 1.036 207 V CB -0.497 31.120 31.823 -0.344 0.000 0.664 207 V HN 0.359 nan 8.190 nan 0.000 0.453 208 L N 0.148 121.314 121.223 -0.096 0.000 2.013 208 L HA -0.170 4.170 4.340 0.001 0.000 0.212 208 L C 2.632 179.448 176.870 -0.090 0.000 1.073 208 L CA 2.040 56.836 54.840 -0.074 0.000 0.753 208 L CB -1.380 40.666 42.059 -0.021 0.000 0.890 208 L HN 0.303 nan 8.230 nan 0.000 0.432 209 S N -0.696 114.954 115.700 -0.084 0.000 2.368 209 S HA -0.153 4.317 4.470 0.001 0.000 0.225 209 S C 1.832 176.336 174.600 -0.159 0.000 1.030 209 S CA 1.114 59.249 58.200 -0.109 0.000 0.999 209 S CB -0.380 62.754 63.200 -0.109 0.000 0.844 209 S HN 0.352 nan 8.310 nan 0.000 0.459 210 L N 2.037 123.157 121.223 -0.173 0.000 2.046 210 L HA -0.010 4.330 4.340 0.001 0.000 0.208 210 L C 2.117 178.825 176.870 -0.271 0.000 1.077 210 L CA 1.639 56.349 54.840 -0.217 0.000 0.747 210 L CB -0.899 41.047 42.059 -0.188 0.000 0.896 210 L HN 0.141 nan 8.230 nan 0.000 0.432 211 V N 0.067 119.809 119.914 -0.288 0.000 2.407 211 V HA -0.277 3.843 4.120 0.001 0.000 0.248 211 V C 2.705 178.583 176.094 -0.360 0.000 1.055 211 V CA 1.973 64.038 62.300 -0.391 0.000 1.049 211 V CB -1.480 30.140 31.823 -0.339 0.000 0.662 211 V HN 0.768 nan 8.190 nan 0.000 0.455 212 T N -2.161 112.283 114.554 -0.184 0.000 2.929 212 T HA -0.189 4.161 4.350 0.001 0.000 0.271 212 T C 1.675 176.348 174.700 -0.045 0.000 1.085 212 T CA 1.512 63.570 62.100 -0.069 0.000 1.125 212 T CB -0.372 68.478 68.868 -0.028 0.000 0.874 212 T HN 0.425 nan 8.240 nan 0.000 0.494 213 M N 0.318 119.855 119.600 -0.105 0.000 2.349 213 M HA 0.251 4.731 4.480 0.001 0.000 0.266 213 M C 1.955 178.245 176.300 -0.016 0.000 1.076 213 M CA 1.051 56.335 55.300 -0.027 0.000 1.126 213 M CB -0.357 32.110 32.600 -0.223 0.000 1.392 213 M HN 0.245 nan 8.290 nan 0.000 0.440 214 L N -1.546 119.590 121.223 -0.146 0.000 2.375 214 L HA 0.048 4.389 4.340 0.001 0.000 0.215 214 L C 0.719 177.611 176.870 0.036 0.000 1.108 214 L CA 0.029 54.791 54.840 -0.131 0.000 0.830 214 L CB -0.545 41.268 42.059 -0.411 0.000 0.959 214 L HN 0.206 nan 8.230 nan 0.000 0.457 215 H N 1.004 120.087 119.070 0.021 0.000 2.562 215 H HA 0.100 4.657 4.556 0.001 0.000 0.352 215 H C 0.093 175.409 175.328 -0.021 0.000 1.125 215 H CA -0.476 55.576 56.048 0.007 0.000 1.379 215 H CB 0.888 30.649 29.762 -0.001 0.000 1.464 215 H HN 0.069 nan 8.280 nan 0.000 0.563 216 D N 0.494 120.946 120.400 0.086 0.000 2.981 216 D HA -0.207 4.433 4.640 0.001 0.000 0.223 216 D C -0.308 175.988 176.300 -0.007 0.000 1.151 216 D CA 0.730 54.738 54.000 0.014 0.000 0.827 216 D CB -0.904 39.904 40.800 0.013 0.000 1.101 216 D HN 0.513 nan 8.370 nan 0.000 0.426 217 N N 0.148 118.852 118.700 0.006 0.000 2.396 217 N HA 0.384 5.124 4.740 0.001 0.000 0.275 217 N C -1.384 174.126 175.510 0.000 0.000 1.218 217 N CA -0.496 52.548 53.050 -0.010 0.000 0.812 217 N CB 1.540 40.025 38.487 -0.003 0.000 1.592 217 N HN -0.185 nan 8.380 nan 0.000 0.480 218 K N 1.685 122.083 120.400 -0.004 0.000 2.367 218 K HA 0.615 4.935 4.320 0.001 0.000 0.263 218 K C -1.124 175.488 176.600 0.020 0.000 1.000 218 K CA -0.111 56.178 56.287 0.004 0.000 0.891 218 K CB 0.734 33.231 32.500 -0.004 0.000 1.117 218 K HN 0.408 nan 8.250 nan 0.000 0.443 219 L N 1.802 123.047 121.223 0.038 0.000 2.431 219 L HA 0.345 4.685 4.340 0.001 0.000 0.266 219 L C 0.818 177.733 176.870 0.076 0.000 0.978 219 L CA -0.428 54.441 54.840 0.049 0.000 0.822 219 L CB 2.235 44.321 42.059 0.045 0.000 1.310 219 L HN 0.690 nan 8.230 nan 0.000 0.409 220 S N 1.011 116.761 115.700 0.083 0.000 2.470 220 S HA 0.118 4.588 4.470 0.001 0.000 0.222 220 S C 0.427 175.135 174.600 0.179 0.000 1.024 220 S CA 0.173 58.450 58.200 0.128 0.000 0.931 220 S CB 0.232 63.508 63.200 0.127 0.000 0.791 220 S HN 0.596 nan 8.310 nan 0.000 0.513 221 K N 0.283 120.761 120.400 0.129 0.000 2.482 221 K HA 0.550 4.871 4.320 0.001 0.000 0.251 221 K C -2.043 174.604 176.600 0.079 0.000 0.936 221 K CA -0.990 55.380 56.287 0.138 0.000 0.791 221 K CB 1.727 34.287 32.500 0.099 0.000 1.213 221 K HN 0.220 nan 8.250 nan 0.000 0.428 222 L N 3.266 124.533 121.223 0.074 0.000 2.322 222 L HA 0.544 4.884 4.340 0.001 0.000 0.281 222 L C -0.846 176.061 176.870 0.062 0.000 1.014 222 L CA 0.175 55.031 54.840 0.026 0.000 0.815 222 L CB 1.824 43.862 42.059 -0.035 0.000 1.247 222 L HN 0.746 nan 8.230 nan 0.000 0.421 223 T N 3.692 118.274 114.554 0.047 0.000 2.829 223 T HA 0.751 5.102 4.350 0.001 0.000 0.280 223 T C -0.965 173.745 174.700 0.017 0.000 0.999 223 T CA -0.549 61.606 62.100 0.092 0.000 0.983 223 T CB 1.296 70.286 68.868 0.202 0.000 0.968 223 T HN 0.435 nan 8.240 nan 0.000 0.446 224 V N 4.631 124.584 119.914 0.065 0.000 2.417 224 V HA 0.532 4.653 4.120 0.001 0.000 0.291 224 V C -0.239 175.840 176.094 -0.026 0.000 1.024 224 V CA -0.794 61.479 62.300 -0.044 0.000 0.861 224 V CB 1.785 33.612 31.823 0.007 0.000 0.985 224 V HN 0.870 nan 8.190 nan 0.000 0.436 225 V N 5.301 125.060 119.914 -0.258 0.000 2.328 225 V HA 0.408 4.528 4.120 0.001 0.000 0.278 225 V C -0.400 175.610 176.094 -0.140 0.000 1.021 225 V CA -0.463 61.728 62.300 -0.182 0.000 0.838 225 V CB 1.037 32.497 31.823 -0.606 0.000 0.999 225 V HN 0.658 nan 8.190 nan 0.000 0.447 226 F N 3.455 123.354 119.950 -0.085 0.000 2.466 226 F HA 0.264 4.791 4.527 0.001 0.000 0.363 226 F C 1.329 177.123 175.800 -0.011 0.000 1.109 226 F CA 0.068 58.011 58.000 -0.094 0.000 1.161 226 F CB 0.481 39.376 39.000 -0.175 0.000 1.117 226 F HN 0.544 nan 8.300 nan 0.000 0.539 227 E N 5.227 125.493 120.200 0.110 0.000 2.609 227 E HA 0.216 4.567 4.350 0.001 0.000 0.208 227 E C -0.203 176.455 176.600 0.097 0.000 1.013 227 E CA -0.012 56.463 56.400 0.124 0.000 1.093 227 E CB 0.325 30.110 29.700 0.142 0.000 1.129 227 E HN 0.575 nan 8.360 nan 0.000 0.450 228 I N -3.461 117.182 120.570 0.122 0.000 3.108 228 I HA 0.449 4.620 4.170 0.001 0.000 0.312 228 I C -0.429 175.770 176.117 0.138 0.000 1.095 228 I CA -1.171 60.199 61.300 0.117 0.000 1.000 228 I CB 1.964 40.027 38.000 0.105 0.000 1.229 228 I HN -0.236 nan 8.210 nan 0.000 0.454 229 N N 2.413 121.179 118.700 0.110 0.000 2.419 229 N HA 0.495 5.236 4.740 0.001 0.000 0.264 229 N C -1.178 174.400 175.510 0.114 0.000 1.031 229 N CA -0.261 52.847 53.050 0.097 0.000 0.951 229 N CB 1.787 40.321 38.487 0.079 0.000 1.101 229 N HN 0.579 nan 8.380 nan 0.000 0.488 230 V N 0.459 120.432 119.914 0.098 0.000 2.709 230 V HA 0.426 4.546 4.120 0.001 0.000 0.308 230 V C -0.279 175.925 176.094 0.184 0.000 1.062 230 V CA -1.155 61.221 62.300 0.127 0.000 0.901 230 V CB 1.649 33.548 31.823 0.128 0.000 1.003 230 V HN 0.604 nan 8.190 nan 0.000 0.425 231 D N 3.060 123.566 120.400 0.178 0.000 2.393 231 D HA 0.211 4.851 4.640 0.001 0.000 0.246 231 D C 0.826 177.295 176.300 0.281 0.000 1.275 231 D CA -0.277 53.830 54.000 0.179 0.000 0.979 231 D CB 0.903 41.758 40.800 0.092 0.000 1.101 231 D HN 0.562 nan 8.370 nan 0.000 0.505 232 K N -0.776 119.721 120.400 0.162 0.000 2.097 232 K HA -0.096 4.224 4.320 0.001 0.000 0.206 232 K C 1.695 178.438 176.600 0.238 0.000 1.049 232 K CA 1.042 57.435 56.287 0.177 0.000 0.933 232 K CB -0.101 32.355 32.500 -0.074 0.000 0.717 232 K HN 0.329 nan 8.250 nan 0.000 0.442 233 N N 0.858 119.649 118.700 0.151 0.000 2.166 233 N HA -0.156 4.585 4.740 0.001 0.000 0.186 233 N C 1.651 177.284 175.510 0.206 0.000 1.019 233 N CA 0.878 54.013 53.050 0.141 0.000 0.856 233 N CB -0.117 38.419 38.487 0.083 0.000 0.993 233 N HN 0.070 nan 8.380 nan 0.000 0.426 234 L N 0.102 121.460 121.223 0.225 0.000 2.131 234 L HA 0.060 4.401 4.340 0.001 0.000 0.206 234 L C 1.960 179.032 176.870 0.338 0.000 1.087 234 L CA 1.007 56.012 54.840 0.274 0.000 0.767 234 L CB -0.814 41.376 42.059 0.219 0.000 0.917 234 L HN -0.003 nan 8.230 nan 0.000 0.441 235 F N 0.384 120.414 119.950 0.133 0.000 2.102 235 F HA -0.208 4.320 4.527 0.001 0.000 0.298 235 F C 2.738 178.606 175.800 0.112 0.000 1.105 235 F CA 1.963 59.963 58.000 0.000 0.000 1.239 235 F CB -0.375 38.537 39.000 -0.147 0.000 0.991 235 F HN 0.042 nan 8.300 nan 0.000 0.474 236 R N -0.574 119.968 120.500 0.071 0.000 2.083 236 R HA -0.248 4.093 4.340 0.001 0.000 0.237 236 R C 2.451 178.723 176.300 -0.046 0.000 1.137 236 R CA 2.102 58.162 56.100 -0.068 0.000 0.951 236 R CB -1.020 29.302 30.300 0.036 0.000 0.851 236 R HN 0.423 nan 8.270 nan 0.000 0.434 237 F N 0.792 120.731 119.950 -0.019 0.000 2.126 237 F HA -0.256 4.272 4.527 0.001 0.000 0.299 237 F C 1.894 177.668 175.800 -0.043 0.000 1.096 237 F CA 1.668 59.667 58.000 -0.001 0.000 1.255 237 F CB -0.641 38.388 39.000 0.049 0.000 0.997 237 F HN 0.098 nan 8.300 nan 0.000 0.479 238 F N 0.332 120.171 119.950 -0.184 0.000 2.065 238 F HA -0.261 4.267 4.527 0.001 0.000 0.298 238 F C 1.868 177.373 175.800 -0.491 0.000 1.112 238 F CA 1.761 59.589 58.000 -0.287 0.000 1.212 238 F CB -0.716 38.263 39.000 -0.035 0.000 0.975 238 F HN 0.005 nan 8.300 nan 0.000 0.476 239 L N 0.990 121.891 121.223 -0.537 0.000 1.994 239 L HA -0.210 4.130 4.340 0.001 0.000 0.208 239 L C 2.395 178.583 176.870 -1.136 0.000 1.071 239 L CA 1.991 56.252 54.840 -0.966 0.000 0.745 239 L CB -1.375 40.169 42.059 -0.858 0.000 0.892 239 L HN 0.238 nan 8.230 nan 0.000 0.431 240 E N -1.393 118.442 120.200 -0.608 0.000 2.070 240 E HA -0.247 4.103 4.350 0.001 0.000 0.197 240 E C 1.956 178.391 176.600 -0.276 0.000 1.004 240 E CA 2.080 58.322 56.400 -0.262 0.000 0.805 240 E CB -0.219 29.442 29.700 -0.063 0.000 0.744 240 E HN 0.506 nan 8.360 nan 0.000 0.451 241 T N 1.335 115.570 114.554 -0.532 0.000 2.770 241 T HA -0.124 4.226 4.350 0.001 0.000 0.263 241 T C 1.876 176.358 174.700 -0.364 0.000 1.039 241 T CA 0.902 62.720 62.100 -0.469 0.000 1.142 241 T CB -0.325 68.053 68.868 -0.817 0.000 0.868 241 T HN 0.055 nan 8.240 nan 0.000 0.435 242 L N 0.827 121.673 121.223 -0.629 0.000 1.997 242 L HA -0.126 4.214 4.340 0.001 0.000 0.216 242 L C 2.020 178.781 176.870 -0.181 0.000 1.074 242 L CA 1.956 56.471 54.840 -0.540 0.000 0.763 242 L CB -0.907 40.646 42.059 -0.844 0.000 0.890 242 L HN 0.100 nan 8.230 nan 0.000 0.434 243 F N -1.005 118.759 119.950 -0.310 0.000 2.046 243 F HA -0.232 4.295 4.527 0.001 0.000 0.297 243 F C 2.544 178.176 175.800 -0.280 0.000 1.123 243 F CA 1.477 59.215 58.000 -0.438 0.000 1.199 243 F CB -1.760 36.739 39.000 -0.835 0.000 0.972 243 F HN 0.186 nan 8.300 nan 0.000 0.474 244 Y N 1.300 121.674 120.300 0.122 0.000 2.081 244 Y HA -0.244 4.307 4.550 0.001 0.000 0.280 244 Y C 2.385 178.345 175.900 0.101 0.000 1.163 244 Y CA 2.035 60.270 58.100 0.226 0.000 1.135 244 Y CB -0.388 38.179 38.460 0.179 0.000 0.970 244 Y HN 0.012 nan 8.280 nan 0.000 0.498 245 E N -1.342 118.890 120.200 0.054 0.000 2.208 245 E HA -0.193 4.157 4.350 0.001 0.000 0.193 245 E C 1.949 178.579 176.600 0.049 0.000 0.988 245 E CA 0.823 57.210 56.400 -0.022 0.000 0.828 245 E CB -0.610 29.083 29.700 -0.012 0.000 0.763 245 E HN 0.569 nan 8.360 nan 0.000 0.478 246 Y N 0.855 121.091 120.300 -0.106 0.000 2.263 246 Y HA 0.008 4.559 4.550 0.001 0.000 0.292 246 Y C 1.040 177.014 175.900 0.124 0.000 1.130 246 Y CA 0.279 58.358 58.100 -0.034 0.000 1.179 246 Y CB -0.148 38.285 38.460 -0.046 0.000 0.998 246 Y HN -0.023 nan 8.280 nan 0.000 0.532 247 M N 1.088 120.662 119.600 -0.043 0.000 2.239 247 M HA 0.151 4.632 4.480 0.001 0.000 0.348 247 M C -0.612 175.627 176.300 -0.102 0.000 1.239 247 M CA 0.795 55.960 55.300 -0.224 0.000 1.114 247 M CB 0.395 32.668 32.600 -0.545 0.000 1.641 247 M HN 0.024 nan 8.290 nan 0.000 0.453 248 T N 4.024 118.585 114.554 0.011 0.000 2.792 248 T HA 0.254 4.604 4.350 0.001 0.000 0.280 248 T C -1.127 173.611 174.700 0.063 0.000 0.990 248 T CA -0.580 61.536 62.100 0.026 0.000 0.960 248 T CB 0.749 69.615 68.868 -0.003 0.000 0.939 248 T HN 0.572 nan 8.240 nan 0.000 0.439 249 D N 2.558 123.010 120.400 0.088 0.000 2.365 249 D HA 0.146 4.786 4.640 0.001 0.000 0.237 249 D C 0.452 176.775 176.300 0.038 0.000 1.190 249 D CA -0.195 53.873 54.000 0.113 0.000 0.867 249 D CB 0.685 41.552 40.800 0.112 0.000 1.050 249 D HN 0.527 nan 8.370 nan 0.000 0.491 250 E N 2.746 122.943 120.200 -0.006 0.000 2.624 250 E HA 0.109 4.459 4.350 0.001 0.000 0.210 250 E C 1.300 177.820 176.600 -0.133 0.000 0.997 250 E CA -0.163 56.215 56.400 -0.037 0.000 0.999 250 E CB 0.660 30.346 29.700 -0.023 0.000 1.040 250 E HN 0.377 nan 8.360 nan 0.000 0.469 251 R N -0.225 120.108 120.500 -0.278 0.000 2.152 251 R HA -0.077 4.263 4.340 0.001 0.000 0.232 251 R C 1.001 176.867 176.300 -0.723 0.000 1.117 251 R CA 1.254 57.004 56.100 -0.582 0.000 0.981 251 R CB -0.021 29.718 30.300 -0.935 0.000 0.870 251 R HN 0.132 nan 8.270 nan 0.000 0.451 252 F N 0.431 120.308 119.950 -0.121 0.000 2.678 252 F HA 0.186 4.714 4.527 0.001 0.000 0.305 252 F C 0.477 176.241 175.800 -0.061 0.000 1.090 252 F CA -0.395 57.529 58.000 -0.126 0.000 1.272 252 F CB 0.372 39.267 39.000 -0.174 0.000 1.060 252 F HN -0.363 nan 8.300 nan 0.000 0.576 253 K N 0.535 120.967 120.400 0.055 0.000 2.326 253 K HA 0.253 4.574 4.320 0.001 0.000 0.275 253 K C 0.724 177.333 176.600 0.015 0.000 1.018 253 K CA 0.146 56.453 56.287 0.033 0.000 0.962 253 K CB 1.913 34.418 32.500 0.008 0.000 0.953 253 K HN 0.060 nan 8.250 nan 0.000 0.475 254 S N 0.282 115.995 115.700 0.022 0.000 4.207 254 S HA -0.068 4.402 4.470 0.001 0.000 0.177 254 S C 1.307 175.914 174.600 0.012 0.000 0.981 254 S CA 0.503 58.715 58.200 0.019 0.000 1.097 254 S CB -0.317 62.904 63.200 0.035 0.000 1.525 254 S HN 0.705 nan 8.310 nan 0.000 0.686 255 T N -0.769 113.794 114.554 0.015 0.000 3.160 255 T HA 0.166 4.516 4.350 0.001 0.000 0.257 255 T C 0.404 175.106 174.700 0.003 0.000 1.147 255 T CA 1.416 63.521 62.100 0.008 0.000 1.064 255 T CB -0.096 68.778 68.868 0.010 0.000 0.949 255 T HN 0.344 nan 8.240 nan 0.000 0.526 256 D N 0.201 120.603 120.400 0.003 0.000 2.692 256 D HA 0.225 4.865 4.640 0.001 0.000 0.290 256 D C -0.338 175.956 176.300 -0.010 0.000 1.455 256 D CA -0.541 53.457 54.000 -0.003 0.000 0.796 256 D CB 0.191 40.991 40.800 0.001 0.000 1.131 256 D HN 0.272 nan 8.370 nan 0.000 0.467 257 K N 0.549 120.942 120.400 -0.012 0.000 2.469 257 K HA 0.043 4.363 4.320 0.001 0.000 0.274 257 K C 0.351 176.933 176.600 -0.030 0.000 0.983 257 K CA -0.134 56.141 56.287 -0.020 0.000 0.974 257 K CB 0.310 32.799 32.500 -0.019 0.000 0.913 257 K HN 0.076 nan 8.250 nan 0.000 0.493 258 N N 2.348 121.022 118.700 -0.044 0.000 2.405 258 N HA 0.002 4.742 4.740 0.001 0.000 0.260 258 N C 0.846 176.322 175.510 -0.057 0.000 1.152 258 N CA 0.109 53.123 53.050 -0.061 0.000 0.948 258 N CB 1.018 39.448 38.487 -0.094 0.000 1.111 258 N HN 0.549 nan 8.380 nan 0.000 0.485 259 V N 3.641 123.526 119.914 -0.047 0.000 2.594 259 V HA -0.182 3.938 4.120 0.001 0.000 0.253 259 V C 1.353 177.416 176.094 -0.052 0.000 1.069 259 V CA 1.770 64.046 62.300 -0.040 0.000 1.082 259 V CB -0.235 31.569 31.823 -0.031 0.000 0.680 259 V HN 0.659 nan 8.190 nan 0.000 0.469 260 N N 0.185 118.844 118.700 -0.067 0.000 2.251 260 N HA 0.361 5.101 4.740 0.001 0.000 0.217 260 N C 0.503 175.941 175.510 -0.120 0.000 1.124 260 N CA 0.862 53.865 53.050 -0.078 0.000 0.843 260 N CB 0.627 39.074 38.487 -0.067 0.000 1.024 260 N HN 0.652 nan 8.380 nan 0.000 0.501 261 M N 0.803 120.309 119.600 -0.156 0.000 2.151 261 M HA 0.545 5.025 4.480 0.001 0.000 0.349 261 M C 0.455 176.587 176.300 -0.281 0.000 1.284 261 M CA -0.521 54.609 55.300 -0.283 0.000 1.173 261 M CB -1.148 31.269 32.600 -0.304 0.000 1.469 261 M HN 0.240 nan 8.290 nan 0.000 0.439 262 E N 1.794 121.820 120.200 -0.289 0.000 2.221 262 E HA 0.778 5.129 4.350 0.001 0.000 0.268 262 E C -1.761 174.623 176.600 -0.360 0.000 0.933 262 E CA -0.667 55.613 56.400 -0.200 0.000 0.809 262 E CB 1.363 31.023 29.700 -0.067 0.000 1.190 262 E HN 0.882 nan 8.360 nan 0.000 0.406 263 Y N 0.098 120.361 120.300 -0.061 0.000 2.409 263 Y HA 0.424 4.974 4.550 0.001 0.000 0.339 263 Y C 1.191 177.129 175.900 0.064 0.000 1.033 263 Y CA -1.136 56.923 58.100 -0.068 0.000 1.094 263 Y CB 1.447 39.761 38.460 -0.244 0.000 1.210 263 Y HN 0.747 nan 8.280 nan 0.000 0.456 264 I N 0.705 121.479 120.570 0.341 0.000 3.058 264 I HA -0.033 4.138 4.170 0.001 0.000 0.299 264 I C 0.498 176.690 176.117 0.126 0.000 1.238 264 I CA 0.005 61.435 61.300 0.217 0.000 1.423 264 I CB 0.753 38.872 38.000 0.197 0.000 1.330 264 I HN 0.564 nan 8.210 nan 0.000 0.589 265 K N 2.701 123.136 120.400 0.060 0.000 2.367 265 K HA 0.253 4.573 4.320 0.001 0.000 0.195 265 K C 0.010 176.354 176.600 -0.428 0.000 1.060 265 K CA 0.500 56.693 56.287 -0.156 0.000 1.022 265 K CB 0.156 32.559 32.500 -0.162 0.000 0.894 265 K HN 0.695 nan 8.250 nan 0.000 0.540 266 H N -0.191 118.910 119.070 0.052 0.000 2.768 266 H HA 0.379 4.936 4.556 0.001 0.000 0.371 266 H C -1.207 174.158 175.328 0.061 0.000 1.151 266 H CA -1.050 55.028 56.048 0.050 0.000 1.165 266 H CB 2.320 32.116 29.762 0.056 0.000 1.722 266 H HN -0.149 nan 8.280 nan 0.000 0.543 267 L N 1.400 122.727 121.223 0.174 0.000 2.439 267 L HA 0.567 4.907 4.340 0.001 0.000 0.270 267 L C -0.412 176.537 176.870 0.131 0.000 0.972 267 L CA -0.197 54.730 54.840 0.145 0.000 0.836 267 L CB 1.698 43.845 42.059 0.148 0.000 1.255 267 L HN 0.779 nan 8.230 nan 0.000 0.404 268 G N 3.961 112.847 108.800 0.144 0.000 2.388 268 G HA2 0.637 4.598 3.960 0.001 0.000 0.330 268 G HA3 0.637 4.598 3.960 0.001 0.000 0.330 268 G C -1.555 173.413 174.900 0.113 0.000 1.142 268 G CA -0.514 44.662 45.100 0.126 0.000 0.908 268 G HN 0.508 nan 8.290 nan 0.000 0.473 269 V N 1.901 121.810 119.914 -0.008 0.000 2.638 269 V HA 0.385 4.505 4.120 0.001 0.000 0.306 269 V C -1.364 174.703 176.094 -0.044 0.000 1.052 269 V CA -0.798 61.560 62.300 0.096 0.000 0.885 269 V CB 1.539 33.470 31.823 0.179 0.000 0.999 269 V HN 0.693 nan 8.190 nan 0.000 0.424 270 Y N 5.037 125.425 120.300 0.147 0.000 2.328 270 Y HA 0.761 5.312 4.550 0.001 0.000 0.337 270 Y C -0.010 175.923 175.900 0.055 0.000 0.966 270 Y CA -0.362 57.808 58.100 0.116 0.000 1.136 270 Y CB 1.802 40.312 38.460 0.083 0.000 1.170 270 Y HN 0.548 nan 8.280 nan 0.000 0.470 271 I N 2.364 122.970 120.570 0.060 0.000 3.006 271 I HA 0.348 4.519 4.170 0.001 0.000 0.306 271 I C -1.113 174.976 176.117 -0.045 0.000 1.250 271 I CA -0.955 60.281 61.300 -0.107 0.000 0.996 271 I CB 2.027 39.672 38.000 -0.591 0.000 1.261 271 I HN 0.595 nan 8.210 nan 0.000 0.442 272 N N 4.928 123.611 118.700 -0.029 0.000 2.492 272 N HA 0.141 4.881 4.740 0.001 0.000 0.262 272 N C -0.616 174.941 175.510 0.078 0.000 1.202 272 N CA 0.231 53.303 53.050 0.036 0.000 0.926 272 N CB 0.120 38.636 38.487 0.050 0.000 1.078 272 N HN 0.535 nan 8.380 nan 0.000 0.454 273 N N 0.493 119.232 118.700 0.064 0.000 2.727 273 N HA -0.251 4.490 4.740 0.001 0.000 0.251 273 N C 0.539 176.091 175.510 0.070 0.000 1.040 273 N CA 0.636 53.714 53.050 0.047 0.000 0.712 273 N CB -1.323 37.175 38.487 0.017 0.000 0.912 273 N HN 0.682 nan 8.380 nan 0.000 0.545 274 A N 0.617 123.460 122.820 0.039 0.000 1.873 274 A HA -0.249 4.071 4.320 0.001 0.000 0.218 274 A C 1.865 179.429 177.584 -0.032 0.000 1.193 274 A CA 2.094 54.127 52.037 -0.006 0.000 0.629 274 A CB -0.261 18.713 19.000 -0.042 0.000 0.826 274 A HN 0.420 nan 8.150 nan 0.000 0.447 275 D N -1.162 119.212 120.400 -0.043 0.000 2.170 275 D HA -0.161 4.480 4.640 0.001 0.000 0.193 275 D C 1.915 178.152 176.300 -0.105 0.000 1.004 275 D CA 1.953 55.916 54.000 -0.063 0.000 0.860 275 D CB -0.648 40.124 40.800 -0.047 0.000 0.931 275 D HN 0.440 nan 8.370 nan 0.000 0.448 276 T N -1.063 113.393 114.554 -0.163 0.000 2.915 276 T HA -0.147 4.204 4.350 0.001 0.000 0.269 276 T C 1.376 175.817 174.700 -0.431 0.000 1.071 276 T CA 0.753 62.675 62.100 -0.298 0.000 1.132 276 T CB -0.111 68.534 68.868 -0.372 0.000 0.878 276 T HN 0.199 nan 8.240 nan 0.000 0.479 277 Y N 0.666 120.800 120.300 -0.277 0.000 2.500 277 Y HA 0.340 4.890 4.550 0.001 0.000 0.270 277 Y C 2.254 178.019 175.900 -0.226 0.000 1.134 277 Y CA 0.089 57.940 58.100 -0.415 0.000 1.293 277 Y CB 0.067 37.927 38.460 -1.000 0.000 1.063 277 Y HN 0.089 nan 8.280 nan 0.000 0.534 278 K N 0.542 120.918 120.400 -0.041 0.000 2.152 278 K HA -0.225 4.095 4.320 0.001 0.000 0.206 278 K C 2.372 178.994 176.600 0.036 0.000 1.048 278 K CA 1.506 57.792 56.287 -0.000 0.000 0.933 278 K CB -0.059 32.419 32.500 -0.037 0.000 0.721 278 K HN 0.485 nan 8.250 nan 0.000 0.447 279 E N 1.653 121.856 120.200 0.005 0.000 2.110 279 E HA -0.213 4.137 4.350 0.001 0.000 0.193 279 E C 1.665 178.291 176.600 0.044 0.000 0.988 279 E CA 1.392 57.796 56.400 0.006 0.000 0.804 279 E CB -0.471 29.211 29.700 -0.030 0.000 0.745 279 E HN 0.305 nan 8.360 nan 0.000 0.458 280 E N 0.311 120.576 120.200 0.108 0.000 2.268 280 E HA -0.074 4.276 4.350 0.001 0.000 0.195 280 E C 2.311 178.994 176.600 0.139 0.000 0.995 280 E CA 0.984 57.475 56.400 0.152 0.000 0.836 280 E CB -0.352 29.566 29.700 0.363 0.000 0.763 280 E HN 0.471 nan 8.360 nan 0.000 0.491 281 V N 1.974 122.001 119.914 0.188 0.000 2.233 281 V HA -0.240 3.880 4.120 0.001 0.000 0.247 281 V C 2.229 178.410 176.094 0.146 0.000 1.050 281 V CA 1.907 64.303 62.300 0.160 0.000 1.010 281 V CB -0.367 31.555 31.823 0.165 0.000 0.637 281 V HN 0.163 nan 8.190 nan 0.000 0.444 282 E N -0.194 120.072 120.200 0.111 0.000 2.208 282 E HA -0.171 4.179 4.350 0.001 0.000 0.193 282 E C 2.102 178.766 176.600 0.106 0.000 0.988 282 E CA 0.835 57.305 56.400 0.117 0.000 0.828 282 E CB -0.265 29.485 29.700 0.083 0.000 0.763 282 E HN 0.573 nan 8.360 nan 0.000 0.478 283 K N 0.863 121.277 120.400 0.024 0.000 2.009 283 K HA -0.127 4.194 4.320 0.001 0.000 0.210 283 K C 2.091 178.639 176.600 -0.086 0.000 1.049 283 K CA 1.367 57.591 56.287 -0.105 0.000 0.929 283 K CB -0.099 32.256 32.500 -0.243 0.000 0.714 283 K HN 0.067 nan 8.250 nan 0.000 0.440 284 A N 1.257 124.067 122.820 -0.017 0.000 1.908 284 A HA -0.236 4.084 4.320 0.001 0.000 0.218 284 A C 2.099 179.896 177.584 0.355 0.000 1.181 284 A CA 1.998 54.078 52.037 0.071 0.000 0.627 284 A CB -0.588 18.361 19.000 -0.085 0.000 0.818 284 A HN 0.398 nan 8.150 nan 0.000 0.445 285 R N -0.666 120.086 120.500 0.420 0.000 2.092 285 R HA -0.045 4.295 4.340 0.001 0.000 0.231 285 R C 1.784 178.423 176.300 0.565 0.000 1.119 285 R CA 1.737 58.147 56.100 0.518 0.000 0.970 285 R CB -0.484 30.002 30.300 0.310 0.000 0.864 285 R HN 0.263 nan 8.270 nan 0.000 0.440 286 V N -0.143 120.059 119.914 0.481 0.000 2.379 286 V HA -0.183 3.938 4.120 0.001 0.000 0.245 286 V C 1.796 178.292 176.094 0.669 0.000 1.044 286 V CA 1.412 64.070 62.300 0.595 0.000 1.036 286 V CB -0.647 31.415 31.823 0.397 0.000 0.664 286 V HN 0.280 nan 8.190 nan 0.000 0.453 287 Y N -0.019 120.458 120.300 0.295 0.000 2.165 287 Y HA -0.283 4.268 4.550 0.001 0.000 0.286 287 Y C 2.527 178.566 175.900 0.230 0.000 1.155 287 Y CA 1.559 59.788 58.100 0.215 0.000 1.164 287 Y CB -1.202 37.347 38.460 0.148 0.000 0.978 287 Y HN 0.495 nan 8.280 nan 0.000 0.513 288 Y N -0.826 119.705 120.300 0.386 0.000 2.181 288 Y HA -0.280 4.270 4.550 0.001 0.000 0.288 288 Y C 2.271 178.356 175.900 0.309 0.000 1.146 288 Y CA 1.489 59.779 58.100 0.317 0.000 1.164 288 Y CB -1.141 37.569 38.460 0.416 0.000 0.982 288 Y HN 0.039 nan 8.280 nan 0.000 0.515 289 F N 1.199 120.974 119.950 -0.292 0.000 2.186 289 F HA 0.076 4.603 4.527 0.001 0.000 0.299 289 F C 2.406 178.024 175.800 -0.303 0.000 1.090 289 F CA 1.564 59.244 58.000 -0.533 0.000 1.307 289 F CB -0.877 37.974 39.000 -0.247 0.000 1.019 289 F HN 0.124 nan 8.300 nan 0.000 0.489 290 G N -1.141 107.582 108.800 -0.129 0.000 2.440 290 G HA2 -0.346 3.614 3.960 0.001 0.000 0.218 290 G HA3 -0.346 3.614 3.960 0.001 0.000 0.218 290 G C 1.702 176.492 174.900 -0.183 0.000 1.154 290 G CA 1.507 46.563 45.100 -0.073 0.000 0.767 290 G HN 0.450 nan 8.290 nan 0.000 0.552 291 T N -1.916 112.536 114.554 -0.169 0.000 2.942 291 T HA -0.111 4.239 4.350 0.001 0.000 0.265 291 T C 2.097 176.717 174.700 -0.134 0.000 1.062 291 T CA 1.319 63.309 62.100 -0.183 0.000 1.139 291 T CB -0.310 68.408 68.868 -0.249 0.000 0.883 291 T HN 0.257 nan 8.240 nan 0.000 0.468 292 Y N 0.339 120.461 120.300 -0.297 0.000 2.242 292 Y HA -0.021 4.529 4.550 0.001 0.000 0.291 292 Y C 2.080 177.751 175.900 -0.381 0.000 1.137 292 Y CA 1.063 59.039 58.100 -0.206 0.000 1.181 292 Y CB -0.776 37.423 38.460 -0.435 0.000 0.989 292 Y HN 0.412 nan 8.280 nan 0.000 0.527 293 Y N 0.239 120.011 120.300 -0.881 0.000 2.145 293 Y HA -0.184 4.367 4.550 0.001 0.000 0.286 293 Y C 2.485 178.085 175.900 -0.500 0.000 1.145 293 Y CA 1.800 59.368 58.100 -0.887 0.000 1.148 293 Y CB -0.985 36.873 38.460 -1.003 0.000 0.981 293 Y HN 0.112 nan 8.280 nan 0.000 0.507 294 A N -0.671 121.957 122.820 -0.321 0.000 1.873 294 A HA -0.283 4.037 4.320 0.001 0.000 0.218 294 A C 2.535 179.962 177.584 -0.261 0.000 1.193 294 A CA 2.356 54.245 52.037 -0.247 0.000 0.629 294 A CB -1.625 17.308 19.000 -0.112 0.000 0.826 294 A HN 0.538 nan 8.150 nan 0.000 0.447 295 S N -0.749 114.819 115.700 -0.220 0.000 2.370 295 S HA -0.268 4.203 4.470 0.001 0.000 0.226 295 S C 2.157 176.597 174.600 -0.266 0.000 1.033 295 S CA 1.893 60.009 58.200 -0.140 0.000 1.011 295 S CB -0.431 62.819 63.200 0.084 0.000 0.852 295 S HN 0.690 nan 8.310 nan 0.000 0.457 296 Q N 0.147 119.635 119.800 -0.519 0.000 2.124 296 Q HA -0.039 4.301 4.340 0.001 0.000 0.202 296 Q C 2.294 178.108 176.000 -0.311 0.000 0.977 296 Q CA 1.490 57.010 55.803 -0.472 0.000 0.850 296 Q CB -0.303 28.046 28.738 -0.648 0.000 0.901 296 Q HN 0.542 nan 8.270 nan 0.000 0.429 297 L N 0.068 121.055 121.223 -0.394 0.000 2.056 297 L HA -0.166 4.174 4.340 0.001 0.000 0.207 297 L C 2.308 179.116 176.870 -0.103 0.000 1.078 297 L CA 0.929 55.608 54.840 -0.269 0.000 0.749 297 L CB -0.427 41.425 42.059 -0.345 0.000 0.901 297 L HN 0.207 nan 8.230 nan 0.000 0.433 298 I N 0.272 120.805 120.570 -0.061 0.000 2.179 298 I HA -0.270 3.900 4.170 0.001 0.000 0.242 298 I C 2.769 178.975 176.117 0.149 0.000 1.088 298 I CA 1.313 62.661 61.300 0.079 0.000 1.357 298 I CB -0.455 37.636 38.000 0.151 0.000 1.051 298 I HN 0.190 nan 8.210 nan 0.000 0.409 299 A N 0.825 123.719 122.820 0.124 0.000 2.014 299 A HA 0.179 4.499 4.320 0.001 0.000 0.218 299 A C 1.586 179.197 177.584 0.045 0.000 1.163 299 A CA 0.711 52.849 52.037 0.168 0.000 0.652 299 A CB -0.689 18.388 19.000 0.129 0.000 0.808 299 A HN 0.345 nan 8.150 nan 0.000 0.449 300 A N 1.112 123.953 122.820 0.035 0.000 2.545 300 A HA 0.443 4.764 4.320 0.001 0.000 0.253 300 A C -2.257 175.266 177.584 -0.102 0.000 1.074 300 A CA -0.803 51.218 52.037 -0.026 0.000 0.760 300 A CB -0.425 18.634 19.000 0.097 0.000 1.005 300 A HN 0.281 nan 8.150 nan 0.000 0.506 301 P HA 0.139 nan 4.420 nan 0.000 0.273 301 P C 0.927 178.229 177.300 0.003 0.000 1.250 301 P CA -0.213 62.812 63.100 -0.125 0.000 0.793 301 P CB 0.609 32.192 31.700 -0.194 0.000 1.011 302 S N 0.558 116.252 115.700 -0.010 0.000 2.419 302 S HA -0.133 4.337 4.470 0.001 0.000 0.233 302 S C 1.445 176.014 174.600 -0.053 0.000 1.016 302 S CA 1.274 59.468 58.200 -0.010 0.000 0.974 302 S CB -0.939 62.251 63.200 -0.017 0.000 0.786 302 S HN 0.644 nan 8.310 nan 0.000 0.492 303 N N 0.238 118.908 118.700 -0.050 0.000 2.494 303 N HA -0.079 4.661 4.740 0.001 0.000 0.182 303 N C 1.004 176.416 175.510 -0.165 0.000 1.076 303 N CA 0.883 53.885 53.050 -0.081 0.000 0.908 303 N CB -0.449 37.972 38.487 -0.110 0.000 0.967 303 N HN 0.470 nan 8.380 nan 0.000 0.449 304 Y N 0.144 120.409 120.300 -0.059 0.000 2.353 304 Y HA 0.260 4.811 4.550 0.001 0.000 0.294 304 Y C 0.957 176.829 175.900 -0.047 0.000 1.135 304 Y CA 0.073 58.171 58.100 -0.005 0.000 1.176 304 Y CB 0.112 38.623 38.460 0.084 0.000 1.124 304 Y HN 0.083 nan 8.280 nan 0.000 0.537 305 C N 3.175 122.533 119.300 0.096 0.000 2.203 305 C HA 0.455 4.916 4.460 0.001 0.000 0.325 305 C C -0.231 174.694 174.990 -0.109 0.000 1.156 305 C CA -0.781 58.236 59.018 -0.002 0.000 1.597 305 C CB -2.564 25.187 27.740 0.019 0.000 2.148 305 C HN 0.583 nan 8.230 nan 0.000 0.472 306 N N 4.246 122.799 118.700 -0.244 0.000 2.966 306 N HA 0.655 5.395 4.740 0.001 0.000 0.314 306 N C -2.598 172.734 175.510 -0.297 0.000 1.397 306 N CA -1.567 51.206 53.050 -0.462 0.000 0.776 306 N CB 0.560 38.305 38.487 -1.237 0.000 1.576 306 N HN 0.042 nan 8.380 nan 0.000 0.592 307 P HA -0.037 nan 4.420 nan 0.000 0.221 307 P C 0.945 178.230 177.300 -0.025 0.000 1.150 307 P CA 0.638 63.703 63.100 -0.058 0.000 0.800 307 P CB 0.233 31.960 31.700 0.044 0.000 0.787 308 V N 0.270 120.156 119.914 -0.048 0.000 2.302 308 V HA -0.188 3.933 4.120 0.001 0.000 0.243 308 V C 2.512 178.603 176.094 -0.005 0.000 1.036 308 V CA 2.356 64.665 62.300 0.015 0.000 1.020 308 V CB -1.685 30.178 31.823 0.067 0.000 0.657 308 V HN 0.229 nan 8.190 nan 0.000 0.453 309 S N 0.648 116.318 115.700 -0.050 0.000 2.400 309 S HA -0.190 4.280 4.470 0.001 0.000 0.232 309 S C 1.930 176.526 174.600 -0.007 0.000 1.025 309 S CA 1.714 59.902 58.200 -0.020 0.000 0.993 309 S CB -0.551 62.633 63.200 -0.026 0.000 0.808 309 S HN 0.390 nan 8.310 nan 0.000 0.478 310 L N 2.656 123.863 121.223 -0.027 0.000 2.095 310 L HA 0.100 4.441 4.340 0.001 0.000 0.204 310 L C 2.594 179.473 176.870 0.014 0.000 1.080 310 L CA 1.997 56.828 54.840 -0.015 0.000 0.759 310 L CB -1.050 40.990 42.059 -0.032 0.000 0.914 310 L HN 0.538 nan 8.230 nan 0.000 0.439 311 S N -1.025 114.688 115.700 0.023 0.000 2.406 311 S HA -0.121 4.349 4.470 0.001 0.000 0.228 311 S C 1.816 176.438 174.600 0.037 0.000 1.020 311 S CA 0.904 59.130 58.200 0.044 0.000 0.965 311 S CB -0.721 62.520 63.200 0.068 0.000 0.798 311 S HN 0.506 nan 8.310 nan 0.000 0.488 312 N N 2.796 121.515 118.700 0.032 0.000 2.120 312 N HA 0.056 4.796 4.740 0.001 0.000 0.188 312 N C 1.974 177.502 175.510 0.030 0.000 1.024 312 N CA 1.573 54.637 53.050 0.024 0.000 0.852 312 N CB -1.008 37.498 38.487 0.033 0.000 1.003 312 N HN 0.627 nan 8.380 nan 0.000 0.424 313 A N 0.908 123.762 122.820 0.056 0.000 1.902 313 A HA 0.019 4.340 4.320 0.001 0.000 0.217 313 A C 2.367 180.030 177.584 0.132 0.000 1.181 313 A CA 1.948 54.053 52.037 0.113 0.000 0.623 313 A CB -0.953 18.110 19.000 0.104 0.000 0.818 313 A HN 0.307 nan 8.150 nan 0.000 0.443 314 A N -0.516 122.359 122.820 0.093 0.000 1.892 314 A HA -0.082 4.238 4.320 0.001 0.000 0.218 314 A C 2.260 179.826 177.584 -0.030 0.000 1.188 314 A CA 2.000 54.082 52.037 0.075 0.000 0.631 314 A CB -1.077 17.967 19.000 0.074 0.000 0.822 314 A HN 0.417 nan 8.150 nan 0.000 0.447 315 V N -0.087 119.752 119.914 -0.125 0.000 2.287 315 V HA -0.284 3.837 4.120 0.001 0.000 0.248 315 V C 2.496 178.375 176.094 -0.359 0.000 1.053 315 V CA 2.345 64.389 62.300 -0.425 0.000 1.027 315 V CB -0.774 30.816 31.823 -0.388 0.000 0.646 315 V HN 0.635 nan 8.190 nan 0.000 0.447 316 E N -0.506 119.609 120.200 -0.142 0.000 2.058 316 E HA -0.278 4.073 4.350 0.001 0.000 0.194 316 E C 2.165 178.733 176.600 -0.053 0.000 0.997 316 E CA 1.619 57.980 56.400 -0.066 0.000 0.801 316 E CB -0.226 29.504 29.700 0.050 0.000 0.746 316 E HN 0.427 nan 8.360 nan 0.000 0.450 317 L N 0.769 121.999 121.223 0.011 0.000 2.042 317 L HA -0.171 4.170 4.340 0.001 0.000 0.210 317 L C 2.199 179.044 176.870 -0.041 0.000 1.076 317 L CA 2.077 56.916 54.840 -0.001 0.000 0.749 317 L CB -0.482 41.585 42.059 0.013 0.000 0.893 317 L HN 0.033 nan 8.230 nan 0.000 0.432 318 A N -1.346 121.440 122.820 -0.057 0.000 1.898 318 A HA -0.243 4.078 4.320 0.001 0.000 0.216 318 A C 2.222 179.825 177.584 0.032 0.000 1.181 318 A CA 1.755 53.794 52.037 0.003 0.000 0.620 318 A CB -0.556 18.473 19.000 0.048 0.000 0.819 318 A HN 0.635 nan 8.150 nan 0.000 0.442 319 Q N -0.375 119.400 119.800 -0.042 0.000 2.050 319 Q HA -0.153 4.187 4.340 0.001 0.000 0.202 319 Q C 1.955 177.944 176.000 -0.018 0.000 0.980 319 Q CA 1.693 57.500 55.803 0.007 0.000 0.840 319 Q CB -0.165 28.544 28.738 -0.049 0.000 0.898 319 Q HN 0.631 nan 8.270 nan 0.000 0.424 320 K N 0.096 120.455 120.400 -0.068 0.000 2.283 320 K HA -0.078 4.242 4.320 0.001 0.000 0.202 320 K C 1.496 178.061 176.600 -0.057 0.000 1.048 320 K CA 0.728 56.958 56.287 -0.096 0.000 0.948 320 K CB 0.171 32.559 32.500 -0.186 0.000 0.742 320 K HN 0.194 nan 8.250 nan 0.000 0.458 321 L N 0.086 121.292 121.223 -0.027 0.000 2.693 321 L HA 0.116 4.456 4.340 0.001 0.000 0.235 321 L C -0.072 176.812 176.870 0.024 0.000 1.127 321 L CA -0.213 54.616 54.840 -0.018 0.000 0.914 321 L CB 0.074 42.111 42.059 -0.037 0.000 1.193 321 L HN 0.207 nan 8.230 nan 0.000 0.502 322 N N 1.554 120.278 118.700 0.042 0.000 2.738 322 N HA -0.153 4.587 4.740 0.001 0.000 0.249 322 N C -0.566 174.997 175.510 0.087 0.000 1.047 322 N CA 0.574 53.662 53.050 0.063 0.000 0.707 322 N CB -0.933 37.578 38.487 0.039 0.000 0.937 322 N HN 0.263 nan 8.380 nan 0.000 0.545 323 L N 0.760 122.059 121.223 0.126 0.000 2.334 323 L HA 0.229 4.569 4.340 0.001 0.000 0.275 323 L C 0.832 177.807 176.870 0.175 0.000 1.036 323 L CA -0.682 54.248 54.840 0.150 0.000 0.807 323 L CB 1.309 43.463 42.059 0.159 0.000 1.231 323 L HN -0.050 nan 8.230 nan 0.000 0.438 324 E N 1.132 121.388 120.200 0.094 0.000 2.392 324 E HA 0.217 4.567 4.350 0.001 0.000 0.264 324 E C -1.036 175.638 176.600 0.123 0.000 1.024 324 E CA -0.017 56.392 56.400 0.015 0.000 0.903 324 E CB 0.715 30.388 29.700 -0.045 0.000 0.963 324 E HN 0.452 nan 8.360 nan 0.000 0.432 325 Y N -1.610 118.711 120.300 0.036 0.000 2.655 325 Y HA 0.800 5.351 4.550 0.001 0.000 0.336 325 Y C -0.560 175.372 175.900 0.053 0.000 1.154 325 Y CA -1.584 56.555 58.100 0.065 0.000 1.055 325 Y CB 1.955 40.467 38.460 0.086 0.000 1.295 325 Y HN 0.480 nan 8.280 nan 0.000 0.465 326 K N 1.994 122.589 120.400 0.324 0.000 2.579 326 K HA 0.472 4.792 4.320 0.001 0.000 0.257 326 K C -2.446 174.356 176.600 0.336 0.000 0.950 326 K CA -0.527 55.899 56.287 0.232 0.000 0.862 326 K CB 1.439 34.006 32.500 0.112 0.000 1.317 326 K HN 0.729 nan 8.250 nan 0.000 0.436 327 I N 5.734 126.484 120.570 0.301 0.000 2.355 327 I HA 0.300 4.470 4.170 0.001 0.000 0.288 327 I C -0.140 176.114 176.117 0.228 0.000 0.999 327 I CA -0.684 60.779 61.300 0.270 0.000 1.163 327 I CB 1.197 39.329 38.000 0.221 0.000 1.316 327 I HN 0.568 nan 8.210 nan 0.000 0.454 328 L N 5.787 127.161 121.223 0.251 0.000 2.290 328 L HA 0.485 4.825 4.340 0.001 0.000 0.284 328 L C 1.014 177.995 176.870 0.184 0.000 1.078 328 L CA -0.248 54.699 54.840 0.179 0.000 0.815 328 L CB 1.139 43.258 42.059 0.098 0.000 1.162 328 L HN 0.660 nan 8.230 nan 0.000 0.435 329 G N 1.989 110.868 108.800 0.131 0.000 2.532 329 G HA2 0.388 4.348 3.960 0.001 0.000 0.291 329 G HA3 0.388 4.348 3.960 0.001 0.000 0.291 329 G C 0.965 175.910 174.900 0.075 0.000 1.349 329 G CA -0.578 44.586 45.100 0.106 0.000 1.038 329 G HN 0.354 nan 8.290 nan 0.000 0.518 330 V N 0.550 120.490 119.914 0.044 0.000 2.287 330 V HA -0.156 3.964 4.120 0.001 0.000 0.248 330 V C 2.939 179.041 176.094 0.014 0.000 1.053 330 V CA 1.846 64.151 62.300 0.008 0.000 1.027 330 V CB -0.438 31.381 31.823 -0.008 0.000 0.646 330 V HN 0.532 nan 8.190 nan 0.000 0.447 331 K N 0.270 120.684 120.400 0.023 0.000 2.032 331 K HA -0.228 4.092 4.320 0.001 0.000 0.209 331 K C 2.088 178.704 176.600 0.027 0.000 1.048 331 K CA 1.839 58.139 56.287 0.022 0.000 0.927 331 K CB -0.418 32.097 32.500 0.024 0.000 0.712 331 K HN 0.575 nan 8.250 nan 0.000 0.441 332 E N 0.959 121.181 120.200 0.038 0.000 2.110 332 E HA -0.097 4.253 4.350 0.001 0.000 0.193 332 E C 2.141 178.761 176.600 0.034 0.000 0.988 332 E CA 0.746 57.169 56.400 0.039 0.000 0.804 332 E CB -0.240 29.491 29.700 0.053 0.000 0.745 332 E HN 0.180 nan 8.360 nan 0.000 0.458 333 L N 0.802 122.047 121.223 0.037 0.000 2.093 333 L HA -0.171 4.169 4.340 0.001 0.000 0.208 333 L C 2.256 179.142 176.870 0.027 0.000 1.085 333 L CA 1.208 56.072 54.840 0.040 0.000 0.755 333 L CB -0.386 41.708 42.059 0.059 0.000 0.904 333 L HN 0.147 nan 8.230 nan 0.000 0.435 334 E N 0.274 120.483 120.200 0.014 0.000 2.058 334 E HA -0.255 4.095 4.350 0.001 0.000 0.194 334 E C 2.086 178.697 176.600 0.018 0.000 0.997 334 E CA 1.456 57.862 56.400 0.011 0.000 0.801 334 E CB -0.079 29.624 29.700 0.006 0.000 0.746 334 E HN 0.527 nan 8.360 nan 0.000 0.450 335 E N 0.583 120.795 120.200 0.020 0.000 2.110 335 E HA -0.131 4.219 4.350 0.001 0.000 0.193 335 E C 1.830 178.443 176.600 0.021 0.000 0.988 335 E CA 0.679 57.090 56.400 0.019 0.000 0.804 335 E CB 0.010 29.722 29.700 0.019 0.000 0.745 335 E HN 0.209 nan 8.360 nan 0.000 0.458 336 L N 0.376 121.616 121.223 0.027 0.000 2.610 336 L HA 0.034 4.375 4.340 0.001 0.000 0.232 336 L C 0.123 177.016 176.870 0.038 0.000 1.149 336 L CA 0.189 55.048 54.840 0.032 0.000 0.872 336 L CB -0.249 41.835 42.059 0.041 0.000 0.992 336 L HN 0.030 nan 8.230 nan 0.000 0.447 337 K N -0.306 120.115 120.400 0.035 0.000 3.035 337 K HA -0.204 4.117 4.320 0.001 0.000 0.262 337 K C 0.112 176.745 176.600 0.056 0.000 1.024 337 K CA 0.677 56.988 56.287 0.039 0.000 0.748 337 K CB -1.360 31.161 32.500 0.036 0.000 1.247 337 K HN 0.309 nan 8.250 nan 0.000 0.482 338 M N 0.456 120.097 119.600 0.068 0.000 3.596 338 M HA 0.039 4.519 4.480 0.001 0.000 0.219 338 M C 1.655 178.009 176.300 0.090 0.000 1.471 338 M CA 0.473 55.837 55.300 0.108 0.000 1.644 338 M CB 0.194 32.902 32.600 0.181 0.000 1.083 338 M HN 0.437 nan 8.290 nan 0.000 0.579 339 G N 0.245 109.085 108.800 0.066 0.000 2.484 339 G HA2 -0.027 3.934 3.960 0.001 0.000 0.218 339 G HA3 -0.027 3.934 3.960 0.001 0.000 0.218 339 G C 1.436 176.360 174.900 0.039 0.000 1.130 339 G CA 0.904 46.029 45.100 0.042 0.000 0.784 339 G HN 0.651 nan 8.290 nan 0.000 0.543 340 A N 0.356 123.214 122.820 0.064 0.000 1.854 340 A HA 0.064 4.384 4.320 0.001 0.000 0.214 340 A C 2.144 179.753 177.584 0.041 0.000 1.192 340 A CA 1.487 53.553 52.037 0.049 0.000 0.611 340 A CB -0.803 18.220 19.000 0.038 0.000 0.832 340 A HN 0.334 nan 8.150 nan 0.000 0.442 341 Y N 0.957 121.226 120.300 -0.051 0.000 2.053 341 Y HA -0.245 4.305 4.550 0.001 0.000 0.277 341 Y C 1.979 177.839 175.900 -0.066 0.000 1.159 341 Y CA 1.933 60.006 58.100 -0.045 0.000 1.125 341 Y CB -0.847 37.627 38.460 0.024 0.000 0.969 341 Y HN 0.209 nan 8.280 nan 0.000 0.492 342 L N -0.783 120.326 121.223 -0.189 0.000 2.079 342 L HA -0.253 4.087 4.340 0.001 0.000 0.210 342 L C 2.543 179.282 176.870 -0.220 0.000 1.081 342 L CA 1.540 56.204 54.840 -0.293 0.000 0.752 342 L CB -0.787 41.166 42.059 -0.177 0.000 0.896 342 L HN 0.120 nan 8.230 nan 0.000 0.433 343 S N -0.506 115.086 115.700 -0.181 0.000 2.383 343 S HA -0.165 4.305 4.470 0.001 0.000 0.229 343 S C 2.029 176.295 174.600 -0.558 0.000 1.030 343 S CA 1.382 59.432 58.200 -0.249 0.000 1.002 343 S CB -0.274 62.820 63.200 -0.177 0.000 0.829 343 S HN 0.199 nan 8.310 nan 0.000 0.467 344 V N 1.213 120.769 119.914 -0.595 0.000 2.427 344 V HA -0.101 4.019 4.120 0.001 0.000 0.248 344 V C 2.452 178.385 176.094 -0.268 0.000 1.051 344 V CA 1.872 63.797 62.300 -0.625 0.000 1.048 344 V CB -1.200 30.442 31.823 -0.302 0.000 0.666 344 V HN 0.595 nan 8.190 nan 0.000 0.456 345 G N -1.089 107.590 108.800 -0.203 0.000 2.813 345 G HA2 -0.090 3.871 3.960 0.001 0.000 0.209 345 G HA3 -0.090 3.871 3.960 0.001 0.000 0.209 345 G C 1.510 176.371 174.900 -0.065 0.000 1.150 345 G CA 0.053 45.090 45.100 -0.106 0.000 0.785 345 G HN 0.425 nan 8.290 nan 0.000 0.535 346 K N 0.234 120.588 120.400 -0.077 0.000 2.089 346 K HA -0.118 4.202 4.320 0.001 0.000 0.210 346 K C 2.542 179.161 176.600 0.032 0.000 1.048 346 K CA 1.276 57.553 56.287 -0.016 0.000 0.926 346 K CB -0.269 32.240 32.500 0.015 0.000 0.714 346 K HN 0.274 nan 8.250 nan 0.000 0.448 347 G N 0.276 109.120 108.800 0.074 0.000 2.679 347 G HA2 -0.113 3.847 3.960 0.001 0.000 0.212 347 G HA3 -0.113 3.847 3.960 0.001 0.000 0.212 347 G C 0.390 175.321 174.900 0.053 0.000 1.137 347 G CA -0.021 45.134 45.100 0.091 0.000 0.787 347 G HN 0.186 nan 8.290 nan 0.000 0.534 348 S N 0.019 115.745 115.700 0.042 0.000 2.562 348 S HA 0.333 4.804 4.470 0.001 0.000 0.275 348 S C 1.694 176.261 174.600 -0.055 0.000 1.281 348 S CA -0.536 57.688 58.200 0.040 0.000 1.045 348 S CB 0.774 64.051 63.200 0.128 0.000 0.962 348 S HN 0.318 nan 8.310 nan 0.000 0.503 349 M N 3.390 122.873 119.600 -0.194 0.000 2.630 349 M HA 0.141 4.621 4.480 0.001 0.000 0.254 349 M C -0.981 175.065 176.300 -0.423 0.000 1.092 349 M CA 0.784 55.879 55.300 -0.343 0.000 1.087 349 M CB -0.427 31.883 32.600 -0.484 0.000 1.453 349 M HN 0.538 nan 8.290 nan 0.000 0.509 350 Y N 1.648 121.951 120.300 0.006 0.000 2.335 350 Y HA 0.547 5.097 4.550 0.001 0.000 0.339 350 Y C -2.322 173.581 175.900 0.004 0.000 0.987 350 Y CA -2.945 55.160 58.100 0.009 0.000 1.140 350 Y CB 0.217 38.689 38.460 0.019 0.000 1.173 350 Y HN 0.000 nan 8.280 nan 0.000 0.486 351 P HA -0.052 nan 4.420 nan 0.000 0.262 351 P C -0.622 176.725 177.300 0.080 0.000 1.182 351 P CA 0.080 63.226 63.100 0.076 0.000 0.761 351 P CB 0.470 32.213 31.700 0.072 0.000 0.795 352 N N 3.057 121.758 118.700 0.002 0.000 2.353 352 N HA 0.038 4.778 4.740 0.001 0.000 0.248 352 N C -0.018 175.559 175.510 0.111 0.000 1.240 352 N CA 0.762 53.806 53.050 -0.010 0.000 0.862 352 N CB 0.096 38.373 38.487 -0.350 0.000 1.086 352 N HN 0.203 nan 8.380 nan 0.000 0.453 353 K N 1.999 122.538 120.400 0.232 0.000 2.601 353 K HA 0.252 4.572 4.320 0.001 0.000 0.249 353 K C -1.373 175.418 176.600 0.317 0.000 0.966 353 K CA -0.495 55.935 56.287 0.239 0.000 0.827 353 K CB 1.406 33.997 32.500 0.152 0.000 1.178 353 K HN 0.411 nan 8.250 nan 0.000 0.437 354 F N 4.352 124.406 119.950 0.174 0.000 2.361 354 F HA 0.430 4.958 4.527 0.001 0.000 0.364 354 F C 0.095 175.925 175.800 0.049 0.000 1.120 354 F CA -0.991 57.041 58.000 0.052 0.000 1.102 354 F CB 0.447 39.435 39.000 -0.020 0.000 1.183 354 F HN 0.405 nan 8.300 nan 0.000 0.476 355 I N 6.291 126.847 120.570 -0.023 0.000 2.471 355 I HA 0.119 4.290 4.170 0.001 0.000 0.286 355 I C -0.304 175.962 176.117 0.248 0.000 1.079 355 I CA 0.095 61.463 61.300 0.115 0.000 1.398 355 I CB 0.501 38.518 38.000 0.027 0.000 1.403 355 I HN 0.593 nan 8.210 nan 0.000 0.530 356 H N 6.828 126.084 119.070 0.311 0.000 2.906 356 H HA 0.484 5.040 4.556 0.001 0.000 0.324 356 H C -1.545 174.014 175.328 0.385 0.000 0.973 356 H CA -0.963 55.321 56.048 0.393 0.000 1.321 356 H CB 0.998 31.044 29.762 0.474 0.000 1.535 356 H HN 0.348 nan 8.280 nan 0.000 0.518 357 L N 3.725 125.329 121.223 0.635 0.000 2.333 357 L HA 0.494 4.834 4.340 0.001 0.000 0.269 357 L C -0.012 177.219 176.870 0.601 0.000 1.010 357 L CA -0.515 54.613 54.840 0.480 0.000 0.818 357 L CB 2.092 44.365 42.059 0.356 0.000 1.306 357 L HN 0.653 nan 8.230 nan 0.000 0.430 358 T N 1.150 115.934 114.554 0.384 0.000 2.921 358 T HA 0.420 4.770 4.350 0.001 0.000 0.297 358 T C -1.533 173.344 174.700 0.294 0.000 1.013 358 T CA -0.391 61.879 62.100 0.283 0.000 0.990 358 T CB 1.277 70.178 68.868 0.055 0.000 1.023 358 T HN 0.338 nan 8.240 nan 0.000 0.447 359 Y N 2.629 123.086 120.300 0.261 0.000 2.352 359 Y HA 0.667 5.217 4.550 0.001 0.000 0.339 359 Y C -0.383 175.551 175.900 0.057 0.000 0.992 359 Y CA -0.853 57.351 58.100 0.173 0.000 1.100 359 Y CB 1.080 39.701 38.460 0.268 0.000 1.192 359 Y HN 0.491 nan 8.280 nan 0.000 0.458 360 K N 4.523 124.479 120.400 -0.740 0.000 2.426 360 K HA 0.458 4.778 4.320 0.001 0.000 0.254 360 K C -0.922 175.232 176.600 -0.743 0.000 0.936 360 K CA -0.593 55.370 56.287 -0.539 0.000 0.801 360 K CB 1.313 33.654 32.500 -0.265 0.000 1.139 360 K HN 0.806 nan 8.250 nan 0.000 0.424 361 S N 2.783 118.232 115.700 -0.418 0.000 2.568 361 S HA 0.048 4.519 4.470 0.001 0.000 0.282 361 S C -0.296 174.218 174.600 -0.143 0.000 1.338 361 S CA -0.158 57.929 58.200 -0.189 0.000 1.045 361 S CB 0.484 63.690 63.200 0.010 0.000 0.873 361 S HN 0.446 nan 8.310 nan 0.000 0.516 362 K N 1.689 122.035 120.400 -0.090 0.000 2.295 362 K HA 0.488 4.809 4.320 0.001 0.000 0.270 362 K C 1.032 177.614 176.600 -0.029 0.000 1.011 362 K CA 0.716 56.970 56.287 -0.055 0.000 0.953 362 K CB 0.198 32.678 32.500 -0.034 0.000 0.956 362 K HN 0.878 nan 8.250 nan 0.000 0.477 363 G N 0.422 109.206 108.800 -0.026 0.000 2.545 363 G HA2 -0.192 3.768 3.960 0.001 0.000 0.216 363 G HA3 -0.192 3.768 3.960 0.001 0.000 0.216 363 G C -0.662 174.228 174.900 -0.016 0.000 1.314 363 G CA -0.483 44.607 45.100 -0.016 0.000 0.906 363 G HN 0.862 nan 8.290 nan 0.000 0.563 364 D N -0.635 119.760 120.400 -0.009 0.000 2.348 364 D HA 0.564 5.204 4.640 0.001 0.000 0.253 364 D C 0.531 176.828 176.300 -0.005 0.000 1.161 364 D CA 0.464 54.459 54.000 -0.008 0.000 0.876 364 D CB 1.408 42.205 40.800 -0.005 0.000 1.160 364 D HN 1.204 nan 8.370 nan 0.000 0.459 365 V N 3.493 123.402 119.914 -0.009 0.000 2.389 365 V HA 0.168 4.289 4.120 0.001 0.000 0.264 365 V C 1.317 177.409 176.094 -0.003 0.000 1.049 365 V CA -0.084 62.214 62.300 -0.004 0.000 0.932 365 V CB 0.845 32.663 31.823 -0.009 0.000 1.011 365 V HN 0.715 nan 8.190 nan 0.000 0.475 366 K N 3.044 123.444 120.400 0.001 0.000 2.168 366 K HA 0.212 4.532 4.320 0.001 0.000 0.201 366 K C 0.387 176.980 176.600 -0.012 0.000 1.049 366 K CA 0.414 56.698 56.287 -0.004 0.000 0.974 366 K CB 0.316 32.816 32.500 0.001 0.000 0.792 366 K HN 0.348 nan 8.250 nan 0.000 0.463 367 K N 1.640 122.038 120.400 -0.004 0.000 2.259 367 K HA 0.347 4.667 4.320 0.001 0.000 0.252 367 K C -0.887 175.713 176.600 -0.000 0.000 0.936 367 K CA -0.400 55.877 56.287 -0.016 0.000 0.810 367 K CB 2.141 34.658 32.500 0.028 0.000 1.143 367 K HN -0.097 nan 8.250 nan 0.000 0.427 368 K N 2.707 123.097 120.400 -0.017 0.000 2.413 368 K HA 0.539 4.859 4.320 0.001 0.000 0.257 368 K C -0.459 176.181 176.600 0.067 0.000 0.946 368 K CA -0.448 55.862 56.287 0.039 0.000 0.823 368 K CB 1.399 33.932 32.500 0.054 0.000 1.109 368 K HN 0.429 nan 8.250 nan 0.000 0.427 369 I N 1.996 122.638 120.570 0.120 0.000 2.545 369 I HA 0.422 4.592 4.170 0.001 0.000 0.292 369 I C -0.559 175.646 176.117 0.148 0.000 1.040 369 I CA -0.926 60.485 61.300 0.184 0.000 1.068 369 I CB 2.131 40.254 38.000 0.204 0.000 1.251 369 I HN 0.588 nan 8.210 nan 0.000 0.424 370 A N 7.435 130.360 122.820 0.176 0.000 2.304 370 A HA 0.839 5.159 4.320 0.001 0.000 0.323 370 A C -0.831 176.822 177.584 0.115 0.000 1.195 370 A CA -0.444 51.675 52.037 0.137 0.000 0.826 370 A CB 0.632 19.716 19.000 0.140 0.000 1.184 370 A HN 0.687 nan 8.150 nan 0.000 0.496 371 L N 3.382 124.628 121.223 0.038 0.000 2.319 371 L HA 0.519 4.860 4.340 0.001 0.000 0.281 371 L C -0.941 175.990 176.870 0.101 0.000 1.005 371 L CA -0.781 54.105 54.840 0.077 0.000 0.828 371 L CB 1.703 43.806 42.059 0.073 0.000 1.227 371 L HN 0.417 nan 8.230 nan 0.000 0.415 372 V N 1.912 121.889 119.914 0.105 0.000 2.448 372 V HA 0.706 4.826 4.120 0.001 0.000 0.295 372 V C 0.412 176.537 176.094 0.053 0.000 1.025 372 V CA -0.505 61.835 62.300 0.066 0.000 0.859 372 V CB 1.726 33.606 31.823 0.096 0.000 0.988 372 V HN 0.844 nan 8.190 nan 0.000 0.431 373 G N 2.823 111.620 108.800 -0.004 0.000 2.470 373 G HA2 0.516 4.477 3.960 0.001 0.000 0.320 373 G HA3 0.516 4.477 3.960 0.001 0.000 0.320 373 G C -0.725 174.140 174.900 -0.059 0.000 1.245 373 G CA -0.737 44.360 45.100 -0.005 0.000 0.935 373 G HN 0.691 nan 8.290 nan 0.000 0.476 374 K N 1.319 121.697 120.400 -0.036 0.000 2.379 374 K HA 0.394 4.714 4.320 0.001 0.000 0.284 374 K C 0.486 177.038 176.600 -0.081 0.000 1.044 374 K CA -0.122 56.127 56.287 -0.064 0.000 0.974 374 K CB 0.537 33.014 32.500 -0.039 0.000 0.962 374 K HN 0.460 nan 8.250 nan 0.000 0.474 375 G N 6.162 114.906 108.800 -0.092 0.000 4.782 375 G HA2 0.264 4.224 3.960 0.001 0.000 0.327 375 G HA3 0.264 4.224 3.960 0.001 0.000 0.327 375 G C -0.619 174.262 174.900 -0.031 0.000 1.466 375 G CA -0.505 44.553 45.100 -0.070 0.000 1.017 375 G HN 0.471 nan 8.290 nan 0.000 0.543 376 I N 2.597 123.149 120.570 -0.031 0.000 2.312 376 I HA 0.165 4.335 4.170 0.001 0.000 0.291 376 I C 1.787 177.911 176.117 0.011 0.000 1.031 376 I CA -0.373 60.926 61.300 -0.001 0.000 1.293 376 I CB 0.582 38.566 38.000 -0.026 0.000 1.403 376 I HN 0.343 nan 8.210 nan 0.000 0.484 377 T N 2.928 117.512 114.554 0.049 0.000 3.043 377 T HA 0.056 4.407 4.350 0.001 0.000 0.263 377 T C 0.258 175.066 174.700 0.181 0.000 1.094 377 T CA 0.532 62.673 62.100 0.068 0.000 1.127 377 T CB 0.052 68.930 68.868 0.017 0.000 0.905 377 T HN 0.282 nan 8.240 nan 0.000 0.490 378 F N 1.018 120.979 119.950 0.018 0.000 2.596 378 F HA 0.530 5.058 4.527 0.001 0.000 0.311 378 F C -2.187 173.639 175.800 0.044 0.000 1.116 378 F CA -1.736 56.282 58.000 0.031 0.000 0.957 378 F CB 2.169 41.187 39.000 0.030 0.000 1.250 378 F HN -0.142 nan 8.300 nan 0.000 0.444 379 D N 2.541 122.419 120.400 -0.869 0.000 2.462 379 D HA 0.213 4.853 4.640 0.001 0.000 0.249 379 D C 0.699 176.544 176.300 -0.759 0.000 1.117 379 D CA 0.143 53.815 54.000 -0.546 0.000 0.900 379 D CB 1.274 41.911 40.800 -0.272 0.000 1.039 379 D HN 0.477 nan 8.370 nan 0.000 0.516 380 S N 1.958 117.402 115.700 -0.426 0.000 2.447 380 S HA 0.084 4.554 4.470 0.001 0.000 0.233 380 S C 1.805 176.348 174.600 -0.095 0.000 1.006 380 S CA 0.761 58.883 58.200 -0.129 0.000 0.957 380 S CB -0.098 63.185 63.200 0.139 0.000 0.773 380 S HN 0.748 nan 8.310 nan 0.000 0.507 381 G N 0.618 109.369 108.800 -0.082 0.000 2.213 381 G HA2 0.156 4.116 3.960 0.001 0.000 0.236 381 G HA3 0.156 4.116 3.960 0.001 0.000 0.236 381 G C 1.196 176.106 174.900 0.015 0.000 0.991 381 G CA 0.331 45.414 45.100 -0.028 0.000 0.629 381 G HN 1.828 nan 8.290 nan 0.000 0.517 382 G N -0.807 108.005 108.800 0.021 0.000 2.562 382 G HA2 -0.166 3.794 3.960 0.001 0.000 0.250 382 G HA3 -0.166 3.794 3.960 0.001 0.000 0.250 382 G C 0.521 175.383 174.900 -0.063 0.000 1.269 382 G CA 0.557 45.676 45.100 0.031 0.000 0.919 382 G HN 1.062 nan 8.290 nan 0.000 0.574 383 Y N 1.107 121.387 120.300 -0.032 0.000 2.241 383 Y HA -0.091 4.459 4.550 0.001 0.000 0.286 383 Y C 2.345 178.214 175.900 -0.052 0.000 1.166 383 Y CA 1.983 60.054 58.100 -0.048 0.000 1.203 383 Y CB -0.250 38.165 38.460 -0.076 0.000 0.977 383 Y HN 0.430 nan 8.280 nan 0.000 0.529 384 N N 1.268 120.002 118.700 0.056 0.000 3.193 384 N HA 0.114 4.854 4.740 0.001 0.000 0.312 384 N C -0.745 174.761 175.510 -0.007 0.000 1.261 384 N CA -0.234 52.822 53.050 0.011 0.000 1.208 384 N CB -0.204 38.276 38.487 -0.013 0.000 1.471 384 N HN 0.093 nan 8.380 nan 0.000 0.548 385 L N 0.780 121.993 121.223 -0.016 0.000 2.485 385 L HA 0.027 4.367 4.340 0.001 0.000 0.275 385 L C 0.167 177.026 176.870 -0.019 0.000 1.207 385 L CA 0.055 54.878 54.840 -0.029 0.000 0.855 385 L CB 0.445 42.479 42.059 -0.042 0.000 1.114 385 L HN 0.250 nan 8.230 nan 0.000 0.485 386 K N 5.179 125.566 120.400 -0.022 0.000 2.095 386 K HA 0.211 4.531 4.320 0.001 0.000 0.258 386 K C 0.468 177.062 176.600 -0.009 0.000 1.120 386 K CA 0.582 56.858 56.287 -0.020 0.000 1.026 386 K CB 0.044 32.522 32.500 -0.036 0.000 1.256 386 K HN 0.766 nan 8.250 nan 0.000 0.360 387 A N 1.909 124.723 122.820 -0.009 0.000 2.211 387 A HA 0.282 4.602 4.320 0.001 0.000 0.208 387 A C 0.832 178.412 177.584 -0.007 0.000 1.250 387 A CA -0.026 52.008 52.037 -0.006 0.000 0.935 387 A CB 0.474 19.470 19.000 -0.007 0.000 0.982 387 A HN 0.583 nan 8.150 nan 0.000 0.490 388 A N 1.260 124.076 122.820 -0.007 0.000 2.407 388 A HA 0.559 4.879 4.320 0.001 0.000 0.248 388 A C -2.493 175.087 177.584 -0.006 0.000 1.082 388 A CA -1.146 50.887 52.037 -0.007 0.000 0.785 388 A CB -0.571 18.424 19.000 -0.008 0.000 1.020 388 A HN 0.192 nan 8.150 nan 0.000 0.489 389 P HA 0.269 nan 4.420 nan 0.000 0.264 389 P C 0.917 178.215 177.300 -0.003 0.000 1.193 389 P CA 1.751 64.847 63.100 -0.007 0.000 0.763 389 P CB 0.533 32.229 31.700 -0.006 0.000 0.810 390 G N 2.534 111.329 108.800 -0.010 0.000 2.176 390 G HA2 -0.295 3.665 3.960 0.001 0.000 0.253 390 G HA3 -0.295 3.665 3.960 0.001 0.000 0.253 390 G C 1.033 175.930 174.900 -0.005 0.000 0.979 390 G CA 0.430 45.524 45.100 -0.010 0.000 0.641 390 G HN 0.610 nan 8.290 nan 0.000 0.530 391 S N -0.006 115.690 115.700 -0.007 0.000 2.561 391 S HA 0.255 4.725 4.470 0.001 0.000 0.225 391 S C 1.568 176.151 174.600 -0.028 0.000 0.977 391 S CA 1.002 59.198 58.200 -0.007 0.000 0.926 391 S CB -0.498 62.697 63.200 -0.008 0.000 0.769 391 S HN 1.261 nan 8.310 nan 0.000 0.533 392 M N 0.296 119.870 119.600 -0.044 0.000 2.175 392 M HA -0.198 4.282 4.480 0.001 0.000 0.192 392 M C 0.750 176.994 176.300 -0.094 0.000 0.473 392 M CA 0.333 55.586 55.300 -0.080 0.000 0.414 392 M CB -1.797 30.736 32.600 -0.112 0.000 1.069 392 M HN 0.476 nan 8.290 nan 0.000 0.933 393 I N 1.741 122.283 120.570 -0.047 0.000 2.315 393 I HA -0.302 3.868 4.170 0.001 0.000 0.251 393 I C 2.122 178.264 176.117 0.042 0.000 1.125 393 I CA 2.433 63.723 61.300 -0.016 0.000 1.392 393 I CB -0.034 37.993 38.000 0.045 0.000 1.065 393 I HN 0.593 nan 8.210 nan 0.000 0.424 394 D N 0.263 120.658 120.400 -0.009 0.000 2.348 394 D HA -0.191 4.449 4.640 0.001 0.000 0.216 394 D C 1.942 178.167 176.300 -0.124 0.000 0.970 394 D CA 0.626 54.616 54.000 -0.017 0.000 0.889 394 D CB -0.119 40.647 40.800 -0.056 0.000 0.912 394 D HN 0.391 nan 8.370 nan 0.000 0.524 395 L N -0.057 121.017 121.223 -0.249 0.000 2.554 395 L HA 0.120 4.460 4.340 0.001 0.000 0.225 395 L C 1.914 178.573 176.870 -0.351 0.000 1.104 395 L CA 0.207 54.721 54.840 -0.544 0.000 0.866 395 L CB -0.018 41.581 42.059 -0.766 0.000 1.047 395 L HN -0.196 nan 8.230 nan 0.000 0.468 396 M N -0.023 119.512 119.600 -0.108 0.000 2.700 396 M HA -0.115 4.365 4.480 0.001 0.000 0.249 396 M C 1.862 178.217 176.300 0.091 0.000 1.082 396 M CA 0.827 56.085 55.300 -0.070 0.000 1.077 396 M CB -0.925 31.375 32.600 -0.501 0.000 1.477 396 M HN 0.352 nan 8.290 nan 0.000 0.529 397 K N 0.507 121.041 120.400 0.223 0.000 2.281 397 K HA -0.180 4.140 4.320 0.001 0.000 0.203 397 K C 1.600 178.321 176.600 0.202 0.000 1.046 397 K CA 1.421 57.839 56.287 0.217 0.000 0.938 397 K CB -1.053 31.513 32.500 0.110 0.000 0.737 397 K HN 0.510 nan 8.250 nan 0.000 0.458 398 F N 0.462 120.371 119.950 -0.069 0.000 2.811 398 F HA 0.177 4.704 4.527 0.001 0.000 0.301 398 F C 0.937 176.731 175.800 -0.009 0.000 1.151 398 F CA -0.388 57.601 58.000 -0.018 0.000 1.412 398 F CB 0.067 39.055 39.000 -0.020 0.000 1.113 398 F HN -0.134 nan 8.300 nan 0.000 0.579 399 D N 1.997 122.380 120.400 -0.029 0.000 2.378 399 D HA -0.076 4.564 4.640 0.001 0.000 0.227 399 D C 1.501 177.698 176.300 -0.172 0.000 1.012 399 D CA 0.842 54.693 54.000 -0.249 0.000 0.905 399 D CB -0.008 40.727 40.800 -0.108 0.000 0.895 399 D HN 0.490 nan 8.370 nan 0.000 0.532 400 M N -2.302 117.241 119.600 -0.095 0.000 2.419 400 M HA 0.367 4.847 4.480 0.001 0.000 0.252 400 M C 1.447 177.702 176.300 -0.076 0.000 1.143 400 M CA -0.093 55.163 55.300 -0.072 0.000 0.985 400 M CB 0.031 32.611 32.600 -0.033 0.000 1.489 400 M HN -0.312 nan 8.290 nan 0.000 0.484 401 S N 1.522 117.151 115.700 -0.118 0.000 2.420 401 S HA -0.068 4.402 4.470 0.001 0.000 0.237 401 S C 1.994 176.569 174.600 -0.042 0.000 1.023 401 S CA 1.647 59.806 58.200 -0.069 0.000 0.991 401 S CB -0.841 62.290 63.200 -0.115 0.000 0.792 401 S HN 0.793 nan 8.310 nan 0.000 0.488 402 G N 0.087 108.849 108.800 -0.063 0.000 2.404 402 G HA2 -0.240 3.720 3.960 0.001 0.000 0.215 402 G HA3 -0.240 3.720 3.960 0.001 0.000 0.215 402 G C 1.719 176.617 174.900 -0.003 0.000 1.174 402 G CA 0.942 46.031 45.100 -0.019 0.000 0.780 402 G HN 0.603 nan 8.290 nan 0.000 0.537 403 C N 1.068 120.352 119.300 -0.027 0.000 2.425 403 C HA 0.179 4.640 4.460 0.001 0.000 0.277 403 C C 3.410 178.403 174.990 0.006 0.000 1.280 403 C CA 1.665 60.671 59.018 -0.020 0.000 1.744 403 C CB -1.045 26.667 27.740 -0.047 0.000 1.989 403 C HN 0.514 nan 8.230 nan 0.000 0.491 404 A N 0.285 123.097 122.820 -0.014 0.000 1.898 404 A HA 0.168 4.488 4.320 0.001 0.000 0.216 404 A C 2.498 180.089 177.584 0.012 0.000 1.181 404 A CA 2.048 54.069 52.037 -0.027 0.000 0.620 404 A CB -1.164 17.795 19.000 -0.068 0.000 0.819 404 A HN 0.842 nan 8.150 nan 0.000 0.442 405 A N -0.505 122.327 122.820 0.020 0.000 1.908 405 A HA -0.039 4.281 4.320 0.001 0.000 0.218 405 A C 2.227 179.851 177.584 0.066 0.000 1.181 405 A CA 1.861 53.916 52.037 0.030 0.000 0.627 405 A CB -0.951 18.075 19.000 0.045 0.000 0.818 405 A HN 0.386 nan 8.150 nan 0.000 0.445 406 V N -0.394 119.577 119.914 0.095 0.000 2.343 406 V HA -0.201 3.919 4.120 0.001 0.000 0.247 406 V C 2.464 178.654 176.094 0.159 0.000 1.051 406 V CA 1.746 64.151 62.300 0.176 0.000 1.036 406 V CB -0.614 31.318 31.823 0.182 0.000 0.654 406 V HN 0.474 nan 8.190 nan 0.000 0.451 407 L N 0.767 122.062 121.223 0.120 0.000 2.156 407 L HA 0.055 4.395 4.340 0.001 0.000 0.208 407 L C 2.515 179.465 176.870 0.134 0.000 1.095 407 L CA 2.111 57.028 54.840 0.129 0.000 0.770 407 L CB -1.727 40.462 42.059 0.218 0.000 0.914 407 L HN 0.353 nan 8.230 nan 0.000 0.439 408 G N -1.948 106.946 108.800 0.158 0.000 2.422 408 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 408 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 408 G C 1.897 176.835 174.900 0.063 0.000 1.140 408 G CA 0.842 46.020 45.100 0.129 0.000 0.775 408 G HN 0.471 nan 8.290 nan 0.000 0.545 409 C N 0.876 120.194 119.300 0.031 0.000 2.432 409 C HA 0.158 4.618 4.460 0.001 0.000 0.277 409 C C 3.449 178.367 174.990 -0.121 0.000 1.249 409 C CA 1.607 60.637 59.018 0.021 0.000 1.725 409 C CB -1.038 26.804 27.740 0.171 0.000 2.028 409 C HN 0.545 nan 8.230 nan 0.000 0.477 410 A N -0.891 121.718 122.820 -0.352 0.000 1.883 410 A HA -0.229 4.092 4.320 0.001 0.000 0.217 410 A C 2.064 179.434 177.584 -0.357 0.000 1.186 410 A CA 2.068 53.647 52.037 -0.763 0.000 0.624 410 A CB -1.345 17.214 19.000 -0.734 0.000 0.822 410 A HN 0.823 nan 8.150 nan 0.000 0.444 411 Y N 0.255 120.402 120.300 -0.255 0.000 2.114 411 Y HA -0.331 4.220 4.550 0.001 0.000 0.282 411 Y C 2.551 178.399 175.900 -0.087 0.000 1.165 411 Y CA 1.736 59.736 58.100 -0.167 0.000 1.148 411 Y CB -0.829 37.539 38.460 -0.153 0.000 0.972 411 Y HN 0.390 nan 8.280 nan 0.000 0.504 412 C N -1.192 117.989 119.300 -0.199 0.000 2.476 412 C HA -0.110 4.350 4.460 0.001 0.000 0.278 412 C C 2.814 177.665 174.990 -0.233 0.000 1.274 412 C CA 0.953 59.864 59.018 -0.178 0.000 1.713 412 C CB -1.200 26.530 27.740 -0.017 0.000 2.039 412 C HN 0.492 nan 8.230 nan 0.000 0.484 413 V N 1.537 121.315 119.914 -0.228 0.000 2.287 413 V HA -0.143 3.977 4.120 0.001 0.000 0.248 413 V C 2.659 178.445 176.094 -0.513 0.000 1.053 413 V CA 2.500 64.603 62.300 -0.329 0.000 1.027 413 V CB -1.514 30.187 31.823 -0.203 0.000 0.646 413 V HN 0.679 nan 8.190 nan 0.000 0.447 414 G N -1.057 107.497 108.800 -0.410 0.000 2.448 414 G HA2 -0.199 3.761 3.960 0.001 0.000 0.219 414 G HA3 -0.199 3.761 3.960 0.001 0.000 0.219 414 G C 1.644 176.396 174.900 -0.246 0.000 1.127 414 G CA 1.484 46.429 45.100 -0.259 0.000 0.766 414 G HN 0.502 nan 8.290 nan 0.000 0.552 415 T N 0.797 115.127 114.554 -0.374 0.000 2.939 415 T HA 0.111 4.461 4.350 0.001 0.000 0.254 415 T C 2.262 176.860 174.700 -0.170 0.000 1.041 415 T CA 0.348 62.261 62.100 -0.312 0.000 1.142 415 T CB -0.051 68.511 68.868 -0.508 0.000 0.874 415 T HN 0.141 nan 8.240 nan 0.000 0.452 416 L N 0.420 121.544 121.223 -0.164 0.000 2.492 416 L HA 0.218 4.558 4.340 0.001 0.000 0.223 416 L C 0.365 177.191 176.870 -0.073 0.000 1.132 416 L CA 0.202 54.993 54.840 -0.082 0.000 0.850 416 L CB -0.435 41.606 42.059 -0.029 0.000 0.966 416 L HN 0.176 nan 8.230 nan 0.000 0.454 417 K N 0.275 120.597 120.400 -0.130 0.000 3.689 417 K HA -0.157 4.164 4.320 0.001 0.000 0.276 417 K C -2.192 174.443 176.600 0.059 0.000 0.932 417 K CA -0.242 56.046 56.287 0.001 0.000 0.758 417 K CB -1.477 31.096 32.500 0.121 0.000 1.500 417 K HN 0.261 nan 8.250 nan 0.000 0.448 418 P HA 0.034 nan 4.420 nan 0.000 0.272 418 P C -0.160 177.239 177.300 0.164 0.000 1.230 418 P CA 0.108 63.237 63.100 0.047 0.000 0.788 418 P CB 0.760 32.457 31.700 -0.005 0.000 0.949 419 E N 0.835 121.094 120.200 0.100 0.000 2.283 419 E HA 0.130 4.480 4.350 0.001 0.000 0.267 419 E C 0.154 176.799 176.600 0.076 0.000 1.045 419 E CA -0.624 55.829 56.400 0.089 0.000 0.884 419 E CB 0.306 30.035 29.700 0.048 0.000 1.106 419 E HN 0.389 nan 8.360 nan 0.000 0.408 420 N N -0.641 118.093 118.700 0.057 0.000 2.725 420 N HA -0.174 4.567 4.740 0.001 0.000 0.249 420 N C -0.592 174.943 175.510 0.043 0.000 1.103 420 N CA 1.208 54.279 53.050 0.035 0.000 0.707 420 N CB -1.901 36.598 38.487 0.020 0.000 1.043 420 N HN 0.336 nan 8.380 nan 0.000 0.553 421 V N -3.608 116.354 119.914 0.080 0.000 3.078 421 V HA 0.794 4.914 4.120 0.001 0.000 0.311 421 V C -0.308 175.844 176.094 0.097 0.000 1.138 421 V CA -0.913 61.440 62.300 0.088 0.000 1.007 421 V CB 3.111 34.997 31.823 0.105 0.000 1.045 421 V HN 0.172 nan 8.190 nan 0.000 0.432 422 E N 2.645 122.881 120.200 0.061 0.000 2.260 422 E HA 0.601 4.951 4.350 0.001 0.000 0.266 422 E C -1.860 174.730 176.600 -0.018 0.000 0.887 422 E CA -0.785 55.620 56.400 0.010 0.000 0.777 422 E CB 1.907 31.586 29.700 -0.034 0.000 1.205 422 E HN 0.768 nan 8.360 nan 0.000 0.414 423 I N 4.312 124.858 120.570 -0.039 0.000 2.436 423 I HA 0.316 4.486 4.170 0.001 0.000 0.289 423 I C -0.223 175.620 176.117 -0.457 0.000 1.010 423 I CA -0.686 60.464 61.300 -0.249 0.000 1.098 423 I CB 1.277 39.078 38.000 -0.331 0.000 1.266 423 I HN 0.600 nan 8.210 nan 0.000 0.434 424 H N 6.198 125.136 119.070 -0.221 0.000 2.473 424 H HA 0.392 4.948 4.556 0.001 0.000 0.327 424 H C -1.026 174.112 175.328 -0.316 0.000 1.105 424 H CA -0.185 55.846 56.048 -0.029 0.000 1.280 424 H CB 1.522 31.364 29.762 0.133 0.000 1.450 424 H HN 0.359 nan 8.280 nan 0.000 0.492 425 F N 3.548 123.706 119.950 0.348 0.000 2.449 425 F HA 0.235 4.763 4.527 0.001 0.000 0.329 425 F C 0.375 176.278 175.800 0.172 0.000 1.245 425 F CA -0.595 57.538 58.000 0.222 0.000 1.193 425 F CB 0.151 39.259 39.000 0.180 0.000 1.425 425 F HN 0.164 nan 8.300 nan 0.000 0.544 426 L N 0.428 121.769 121.223 0.195 0.000 2.464 426 L HA 0.572 4.913 4.340 0.001 0.000 0.224 426 L C 0.623 177.343 176.870 -0.249 0.000 1.219 426 L CA -0.563 54.253 54.840 -0.039 0.000 0.831 426 L CB 0.453 42.472 42.059 -0.067 0.000 1.284 426 L HN 0.415 nan 8.230 nan 0.000 0.522 427 S N -0.570 114.679 115.700 -0.752 0.000 2.243 427 S HA 0.393 4.863 4.470 0.001 0.000 0.296 427 S C -0.867 173.165 174.600 -0.947 0.000 0.803 427 S CA -0.524 57.308 58.200 -0.613 0.000 0.898 427 S CB 0.359 63.400 63.200 -0.264 0.000 1.230 427 S HN 0.772 nan 8.310 nan 0.000 0.420 428 A N 4.441 126.667 122.820 -0.990 0.000 2.805 428 A HA 0.571 4.891 4.320 0.001 0.000 0.301 428 A C 0.196 177.496 177.584 -0.473 0.000 1.557 428 A CA -0.186 51.200 52.037 -1.084 0.000 1.254 428 A CB -0.309 17.935 19.000 -1.259 0.000 1.114 428 A HN 0.792 nan 8.150 nan 0.000 0.553 429 V N 2.295 122.137 119.914 -0.120 0.000 2.498 429 V HA 0.473 4.594 4.120 0.001 0.000 0.279 429 V C 0.609 176.855 176.094 0.253 0.000 1.048 429 V CA -0.013 62.321 62.300 0.056 0.000 0.967 429 V CB -0.057 31.778 31.823 0.020 0.000 0.988 429 V HN 1.203 nan 8.190 nan 0.000 0.473 430 C N 2.359 121.766 119.300 0.178 0.000 3.249 430 C HA 0.733 5.193 4.460 0.001 0.000 0.350 430 C C -0.971 174.087 174.990 0.113 0.000 1.431 430 C CA -0.915 58.196 59.018 0.155 0.000 1.209 430 C CB 1.565 29.403 27.740 0.163 0.000 1.546 430 C HN 0.854 nan 8.230 nan 0.000 0.450 431 E N 0.651 120.927 120.200 0.126 0.000 2.222 431 E HA 0.439 4.790 4.350 0.001 0.000 0.267 431 E C -1.398 175.283 176.600 0.134 0.000 0.884 431 E CA -0.340 56.154 56.400 0.157 0.000 0.764 431 E CB 1.515 31.363 29.700 0.246 0.000 1.169 431 E HN 0.622 nan 8.360 nan 0.000 0.413 432 N N 4.712 123.489 118.700 0.128 0.000 2.678 432 N HA 0.193 4.933 4.740 0.001 0.000 0.231 432 N C -1.083 174.515 175.510 0.146 0.000 1.038 432 N CA -0.094 53.025 53.050 0.114 0.000 0.932 432 N CB 0.256 38.785 38.487 0.070 0.000 1.176 432 N HN 0.409 nan 8.380 nan 0.000 0.511 433 M N 1.035 120.724 119.600 0.149 0.000 2.777 433 M HA 0.478 4.959 4.480 0.001 0.000 0.307 433 M C -0.385 175.946 176.300 0.053 0.000 1.228 433 M CA -1.086 54.289 55.300 0.125 0.000 0.871 433 M CB 1.538 34.208 32.600 0.118 0.000 1.721 433 M HN -0.110 nan 8.290 nan 0.000 0.487 434 V N 0.708 120.599 119.914 -0.037 0.000 2.398 434 V HA 0.691 4.812 4.120 0.001 0.000 0.286 434 V C -0.029 176.003 176.094 -0.104 0.000 1.026 434 V CA -0.171 61.999 62.300 -0.216 0.000 0.868 434 V CB 1.380 32.971 31.823 -0.386 0.000 0.982 434 V HN 0.982 nan 8.190 nan 0.000 0.443 435 S N 3.092 118.787 115.700 -0.007 0.000 2.611 435 S HA 0.343 4.813 4.470 0.001 0.000 0.268 435 S C 0.661 175.370 174.600 0.182 0.000 1.156 435 S CA -0.208 58.035 58.200 0.072 0.000 0.817 435 S CB 1.716 64.956 63.200 0.065 0.000 1.122 435 S HN 0.825 nan 8.310 nan 0.000 0.466 436 K N 1.363 121.837 120.400 0.122 0.000 2.209 436 K HA -0.023 4.298 4.320 0.001 0.000 0.204 436 K C 0.938 177.602 176.600 0.106 0.000 1.048 436 K CA 1.951 58.307 56.287 0.115 0.000 0.940 436 K CB -0.603 31.933 32.500 0.061 0.000 0.729 436 K HN 0.552 nan 8.250 nan 0.000 0.451 437 N N 0.736 119.495 118.700 0.099 0.000 2.398 437 N HA 0.021 4.762 4.740 0.001 0.000 0.188 437 N C -0.501 175.086 175.510 0.129 0.000 1.122 437 N CA -0.282 52.818 53.050 0.083 0.000 0.866 437 N CB 0.430 38.947 38.487 0.049 0.000 0.970 437 N HN 0.087 nan 8.380 nan 0.000 0.462 438 S N 0.889 116.716 115.700 0.212 0.000 2.584 438 S HA 0.006 4.476 4.470 0.001 0.000 0.270 438 S C -0.095 174.686 174.600 0.302 0.000 1.346 438 S CA -0.626 57.753 58.200 0.299 0.000 1.018 438 S CB 0.178 63.636 63.200 0.430 0.000 0.899 438 S HN 0.282 nan 8.310 nan 0.000 0.542 439 Y N 0.983 121.333 120.300 0.084 0.000 2.457 439 Y HA 0.526 5.077 4.550 0.001 0.000 0.341 439 Y C 0.032 175.956 175.900 0.041 0.000 1.240 439 Y CA -1.209 56.917 58.100 0.043 0.000 1.437 439 Y CB 0.219 38.700 38.460 0.035 0.000 1.328 439 Y HN 0.518 nan 8.280 nan 0.000 0.588 440 R N 2.524 122.914 120.500 -0.184 0.000 2.670 440 R HA 0.476 4.817 4.340 0.001 0.000 0.289 440 R C -2.897 173.213 176.300 -0.315 0.000 0.965 440 R CA -2.367 53.544 56.100 -0.315 0.000 0.899 440 R CB 1.082 31.184 30.300 -0.329 0.000 1.173 440 R HN 0.408 nan 8.270 nan 0.000 0.456 441 P HA -0.139 nan 4.420 nan 0.000 0.263 441 P C 0.740 177.955 177.300 -0.141 0.000 1.162 441 P CA 1.468 64.450 63.100 -0.197 0.000 0.758 441 P CB 0.404 32.027 31.700 -0.128 0.000 0.773 442 G N 1.735 110.479 108.800 -0.093 0.000 2.258 442 G HA2 -0.200 3.760 3.960 0.001 0.000 0.233 442 G HA3 -0.200 3.760 3.960 0.001 0.000 0.233 442 G C -0.042 174.834 174.900 -0.041 0.000 1.006 442 G CA -0.159 44.905 45.100 -0.060 0.000 0.620 442 G HN 0.533 nan 8.290 nan 0.000 0.511 443 D N 0.693 121.067 120.400 -0.043 0.000 2.472 443 D HA 0.420 5.061 4.640 0.001 0.000 0.237 443 D C 0.795 177.127 176.300 0.053 0.000 1.141 443 D CA 0.470 54.476 54.000 0.009 0.000 0.875 443 D CB 0.650 41.484 40.800 0.055 0.000 1.192 443 D HN 0.385 nan 8.370 nan 0.000 0.450 444 I N 3.479 124.083 120.570 0.057 0.000 2.362 444 I HA 0.320 4.491 4.170 0.001 0.000 0.289 444 I C 0.251 176.424 176.117 0.094 0.000 0.994 444 I CA -0.711 60.639 61.300 0.084 0.000 1.158 444 I CB 0.800 38.844 38.000 0.074 0.000 1.315 444 I HN 0.193 nan 8.210 nan 0.000 0.451 445 I N 1.980 122.623 120.570 0.121 0.000 2.846 445 I HA 0.666 4.836 4.170 0.001 0.000 0.307 445 I C -0.681 175.507 176.117 0.118 0.000 1.053 445 I CA -0.520 60.848 61.300 0.114 0.000 1.050 445 I CB 2.387 40.465 38.000 0.129 0.000 1.239 445 I HN 0.277 nan 8.210 nan 0.000 0.439 446 T N 3.112 117.726 114.554 0.099 0.000 2.786 446 T HA 0.670 5.021 4.350 0.001 0.000 0.283 446 T C 0.114 174.879 174.700 0.107 0.000 0.992 446 T CA -0.435 61.727 62.100 0.103 0.000 0.954 446 T CB 1.443 70.356 68.868 0.075 0.000 0.934 446 T HN 0.844 nan 8.240 nan 0.000 0.440 447 A N 2.143 125.051 122.820 0.146 0.000 2.296 447 A HA 0.521 4.842 4.320 0.001 0.000 0.264 447 A C 1.672 179.330 177.584 0.124 0.000 1.097 447 A CA -0.179 51.946 52.037 0.147 0.000 0.811 447 A CB 0.071 19.221 19.000 0.250 0.000 1.072 447 A HN 0.947 nan 8.150 nan 0.000 0.495 448 S N 0.170 115.936 115.700 0.110 0.000 2.474 448 S HA -0.143 4.327 4.470 0.001 0.000 0.235 448 S C 0.875 175.520 174.600 0.075 0.000 0.997 448 S CA 1.105 59.356 58.200 0.084 0.000 0.949 448 S CB -0.516 62.732 63.200 0.080 0.000 0.766 448 S HN 0.877 nan 8.310 nan 0.000 0.517 449 N N 0.937 119.700 118.700 0.104 0.000 2.313 449 N HA 0.267 5.007 4.740 0.001 0.000 0.207 449 N C 1.183 176.714 175.510 0.035 0.000 1.141 449 N CA 0.443 53.528 53.050 0.057 0.000 0.830 449 N CB -0.346 38.168 38.487 0.045 0.000 1.008 449 N HN 0.522 nan 8.380 nan 0.000 0.481 450 G N 0.117 108.949 108.800 0.054 0.000 2.267 450 G HA2 -0.331 3.629 3.960 0.001 0.000 0.257 450 G HA3 -0.331 3.629 3.960 0.001 0.000 0.257 450 G C -0.135 174.792 174.900 0.044 0.000 0.998 450 G CA 0.200 45.322 45.100 0.038 0.000 0.620 450 G HN 0.470 nan 8.290 nan 0.000 0.529 451 K N 2.401 122.836 120.400 0.058 0.000 2.379 451 K HA 0.388 4.708 4.320 0.001 0.000 0.284 451 K C 0.824 177.499 176.600 0.125 0.000 1.044 451 K CA 0.648 56.964 56.287 0.049 0.000 0.974 451 K CB 0.553 33.025 32.500 -0.048 0.000 0.962 451 K HN 0.440 nan 8.250 nan 0.000 0.474 452 T N 0.868 115.481 114.554 0.098 0.000 2.856 452 T HA 0.472 4.822 4.350 0.001 0.000 0.292 452 T C 0.233 175.032 174.700 0.166 0.000 0.980 452 T CA -0.697 61.478 62.100 0.125 0.000 1.091 452 T CB 0.353 69.280 68.868 0.098 0.000 0.936 452 T HN 0.345 nan 8.240 nan 0.000 0.503 453 I N 2.136 122.829 120.570 0.205 0.000 2.465 453 I HA 0.363 4.533 4.170 0.001 0.000 0.291 453 I C 0.126 176.362 176.117 0.198 0.000 1.014 453 I CA -0.898 60.562 61.300 0.267 0.000 1.093 453 I CB 2.167 40.393 38.000 0.377 0.000 1.267 453 I HN 0.746 nan 8.210 nan 0.000 0.431 454 E N 5.829 126.138 120.200 0.180 0.000 2.167 454 E HA 0.351 4.701 4.350 0.001 0.000 0.284 454 E C -1.170 175.494 176.600 0.106 0.000 1.016 454 E CA -0.650 55.828 56.400 0.130 0.000 0.817 454 E CB 1.303 31.079 29.700 0.126 0.000 1.080 454 E HN 0.375 nan 8.360 nan 0.000 0.397 455 V N 5.010 124.971 119.914 0.078 0.000 2.439 455 V HA 0.186 4.307 4.120 0.001 0.000 0.271 455 V C 1.133 177.216 176.094 -0.018 0.000 1.040 455 V CA 0.654 62.974 62.300 0.033 0.000 1.002 455 V CB 1.120 32.952 31.823 0.015 0.000 1.000 455 V HN 0.952 nan 8.190 nan 0.000 0.477 456 G N 3.745 112.529 108.800 -0.027 0.000 2.762 456 G HA2 0.060 4.021 3.960 0.001 0.000 0.209 456 G HA3 0.060 4.021 3.960 0.001 0.000 0.209 456 G C 0.483 175.349 174.900 -0.057 0.000 1.134 456 G CA 0.074 45.153 45.100 -0.035 0.000 0.781 456 G HN 0.598 nan 8.290 nan 0.000 0.528 457 N N -0.055 118.603 118.700 -0.071 0.000 2.503 457 N HA 0.076 4.816 4.740 0.001 0.000 0.287 457 N C 1.021 176.484 175.510 -0.078 0.000 1.096 457 N CA 0.275 53.281 53.050 -0.073 0.000 0.936 457 N CB 1.475 39.933 38.487 -0.049 0.000 1.570 457 N HN -0.036 nan 8.380 nan 0.000 0.504 458 T N -0.857 113.621 114.554 -0.127 0.000 3.035 458 T HA -0.076 4.275 4.350 0.001 0.000 0.268 458 T C 0.959 175.709 174.700 0.084 0.000 1.109 458 T CA 0.922 62.934 62.100 -0.147 0.000 1.119 458 T CB 0.047 68.751 68.868 -0.273 0.000 0.900 458 T HN 0.375 nan 8.240 nan 0.000 0.503 459 D N 1.641 122.055 120.400 0.023 0.000 2.349 459 D HA 0.236 4.877 4.640 0.001 0.000 0.224 459 D C 1.184 177.490 176.300 0.010 0.000 1.029 459 D CA 0.056 54.069 54.000 0.021 0.000 0.879 459 D CB -0.362 40.436 40.800 -0.004 0.000 0.906 459 D HN 0.535 nan 8.370 nan 0.000 0.528 460 A N 0.941 123.763 122.820 0.002 0.000 3.163 460 A HA 0.105 4.425 4.320 0.001 0.000 0.283 460 A C 1.565 179.134 177.584 -0.026 0.000 1.412 460 A CA -0.309 51.703 52.037 -0.041 0.000 1.053 460 A CB -0.295 18.643 19.000 -0.103 0.000 1.082 460 A HN 0.196 nan 8.150 nan 0.000 0.639 461 E N 0.078 120.299 120.200 0.036 0.000 2.216 461 E HA -0.071 4.280 4.350 0.001 0.000 0.192 461 E C 1.573 178.164 176.600 -0.015 0.000 0.988 461 E CA 1.305 57.735 56.400 0.051 0.000 0.834 461 E CB -0.878 28.873 29.700 0.084 0.000 0.772 461 E HN 0.356 nan 8.360 nan 0.000 0.479 462 G N 2.919 111.703 108.800 -0.027 0.000 2.459 462 G HA2 -0.365 3.595 3.960 0.001 0.000 0.217 462 G HA3 -0.365 3.595 3.960 0.001 0.000 0.217 462 G C 1.893 176.768 174.900 -0.041 0.000 1.183 462 G CA 1.708 46.790 45.100 -0.031 0.000 0.776 462 G HN 0.472 nan 8.290 nan 0.000 0.552 463 R N 0.396 120.851 120.500 -0.076 0.000 2.105 463 R HA 0.055 4.396 4.340 0.001 0.000 0.239 463 R C 2.417 178.698 176.300 -0.031 0.000 1.135 463 R CA 1.346 57.402 56.100 -0.073 0.000 0.967 463 R CB -0.760 29.401 30.300 -0.232 0.000 0.861 463 R HN 0.400 nan 8.270 nan 0.000 0.442 464 L N 1.796 122.969 121.223 -0.084 0.000 2.017 464 L HA -0.145 4.195 4.340 0.001 0.000 0.208 464 L C 2.973 179.828 176.870 -0.024 0.000 1.073 464 L CA 2.082 56.907 54.840 -0.026 0.000 0.745 464 L CB -1.025 41.022 42.059 -0.020 0.000 0.894 464 L HN 0.472 nan 8.230 nan 0.000 0.432 465 T N -1.822 112.725 114.554 -0.012 0.000 2.777 465 T HA -0.129 4.221 4.350 0.001 0.000 0.266 465 T C 1.884 176.524 174.700 -0.100 0.000 1.040 465 T CA 0.903 62.995 62.100 -0.015 0.000 1.141 465 T CB -0.554 68.309 68.868 -0.008 0.000 0.868 465 T HN 0.206 nan 8.240 nan 0.000 0.444 466 L N 1.163 122.341 121.223 -0.075 0.000 2.083 466 L HA 0.040 4.380 4.340 0.001 0.000 0.209 466 L C 3.386 180.196 176.870 -0.100 0.000 1.083 466 L CA 1.098 55.903 54.840 -0.058 0.000 0.752 466 L CB -0.900 41.160 42.059 0.003 0.000 0.899 466 L HN 0.389 nan 8.230 nan 0.000 0.433 467 A N 0.067 122.756 122.820 -0.218 0.000 1.892 467 A HA -0.286 4.034 4.320 0.001 0.000 0.218 467 A C 1.995 179.395 177.584 -0.307 0.000 1.188 467 A CA 2.365 54.045 52.037 -0.595 0.000 0.631 467 A CB -0.581 17.652 19.000 -1.279 0.000 0.822 467 A HN 0.367 nan 8.150 nan 0.000 0.447 468 D N -0.625 119.687 120.400 -0.147 0.000 2.162 468 D HA 0.083 4.723 4.640 0.001 0.000 0.203 468 D C 2.227 178.575 176.300 0.080 0.000 0.967 468 D CA 1.235 55.236 54.000 0.002 0.000 0.840 468 D CB -0.335 40.513 40.800 0.079 0.000 0.972 468 D HN 0.409 nan 8.370 nan 0.000 0.482 469 A N 0.460 123.318 122.820 0.064 0.000 1.972 469 A HA -0.100 4.221 4.320 0.001 0.000 0.219 469 A C 2.294 179.984 177.584 0.177 0.000 1.169 469 A CA 0.850 52.994 52.037 0.177 0.000 0.635 469 A CB -0.556 18.438 19.000 -0.010 0.000 0.810 469 A HN 0.219 nan 8.150 nan 0.000 0.446 470 L N -0.953 120.316 121.223 0.077 0.000 2.209 470 L HA -0.065 4.275 4.340 0.001 0.000 0.207 470 L C 2.398 179.307 176.870 0.064 0.000 1.094 470 L CA 0.422 55.294 54.840 0.054 0.000 0.790 470 L CB -0.329 41.700 42.059 -0.051 0.000 0.932 470 L HN 0.213 nan 8.230 nan 0.000 0.447 471 V N -0.761 119.204 119.914 0.086 0.000 2.307 471 V HA -0.337 3.784 4.120 0.001 0.000 0.245 471 V C 2.231 178.368 176.094 0.071 0.000 1.045 471 V CA 1.882 64.229 62.300 0.078 0.000 1.024 471 V CB -0.625 31.258 31.823 0.101 0.000 0.651 471 V HN 0.396 nan 8.190 nan 0.000 0.449 472 Y N 1.257 121.538 120.300 -0.031 0.000 2.165 472 Y HA -0.248 4.302 4.550 0.001 0.000 0.286 472 Y C 2.391 178.246 175.900 -0.075 0.000 1.155 472 Y CA 1.729 59.779 58.100 -0.084 0.000 1.164 472 Y CB -0.385 37.987 38.460 -0.148 0.000 0.978 472 Y HN 0.166 nan 8.280 nan 0.000 0.513 473 A N 0.011 122.939 122.820 0.180 0.000 1.877 473 A HA -0.246 4.074 4.320 0.001 0.000 0.216 473 A C 2.166 179.731 177.584 -0.033 0.000 1.186 473 A CA 1.872 53.953 52.037 0.073 0.000 0.620 473 A CB -0.901 18.178 19.000 0.132 0.000 0.822 473 A HN 0.631 nan 8.150 nan 0.000 0.443 474 E N -0.218 119.973 120.200 -0.015 0.000 2.153 474 E HA -0.166 4.184 4.350 0.001 0.000 0.194 474 E C 1.775 178.324 176.600 -0.085 0.000 0.988 474 E CA 1.189 57.568 56.400 -0.034 0.000 0.811 474 E CB -0.076 29.608 29.700 -0.025 0.000 0.746 474 E HN 0.566 nan 8.360 nan 0.000 0.466 475 K N -0.004 120.314 120.400 -0.138 0.000 2.504 475 K HA -0.002 4.319 4.320 0.001 0.000 0.195 475 K C 1.648 178.122 176.600 -0.211 0.000 1.036 475 K CA 0.215 56.400 56.287 -0.171 0.000 0.984 475 K CB 0.154 32.522 32.500 -0.220 0.000 0.788 475 K HN 0.248 nan 8.250 nan 0.000 0.488 476 L N -0.169 120.907 121.223 -0.244 0.000 2.478 476 L HA 0.036 4.376 4.340 0.001 0.000 0.223 476 L C 0.870 177.663 176.870 -0.129 0.000 1.140 476 L CA 0.358 55.046 54.840 -0.253 0.000 0.842 476 L CB -0.254 41.556 42.059 -0.414 0.000 0.953 476 L HN 0.304 nan 8.230 nan 0.000 0.452 477 G N 0.966 109.712 108.800 -0.090 0.000 2.326 477 G HA2 -0.211 3.750 3.960 0.001 0.000 0.286 477 G HA3 -0.211 3.750 3.960 0.001 0.000 0.286 477 G C -0.249 174.634 174.900 -0.029 0.000 1.096 477 G CA 0.066 45.135 45.100 -0.051 0.000 1.003 477 G HN 0.090 nan 8.290 nan 0.000 0.503 478 V N -0.104 119.797 119.914 -0.022 0.000 2.966 478 V HA 0.481 4.601 4.120 0.001 0.000 0.317 478 V C 1.049 177.114 176.094 -0.048 0.000 1.070 478 V CA -0.096 62.206 62.300 0.002 0.000 1.008 478 V CB 1.629 33.479 31.823 0.045 0.000 1.070 478 V HN 0.361 nan 8.190 nan 0.000 0.457 479 D N 0.965 121.286 120.400 -0.131 0.000 2.240 479 D HA 0.052 4.693 4.640 0.001 0.000 0.206 479 D C -0.673 175.388 176.300 -0.399 0.000 0.963 479 D CA 1.365 55.152 54.000 -0.355 0.000 0.863 479 D CB 0.351 40.780 40.800 -0.619 0.000 0.973 479 D HN 0.473 nan 8.370 nan 0.000 0.501 480 Y N -0.039 120.342 120.300 0.137 0.000 2.421 480 Y HA 0.461 5.011 4.550 0.001 0.000 0.339 480 Y C -0.136 175.876 175.900 0.186 0.000 0.996 480 Y CA -0.934 57.274 58.100 0.181 0.000 1.046 480 Y CB 1.707 40.333 38.460 0.276 0.000 1.226 480 Y HN -0.299 nan 8.280 nan 0.000 0.445 481 I N 3.931 124.723 120.570 0.370 0.000 2.362 481 I HA 0.515 4.686 4.170 0.001 0.000 0.289 481 I C -0.930 175.367 176.117 0.299 0.000 0.994 481 I CA -0.976 60.524 61.300 0.333 0.000 1.158 481 I CB 1.414 39.635 38.000 0.368 0.000 1.315 481 I HN 0.251 nan 8.210 nan 0.000 0.451 482 V N 5.269 125.288 119.914 0.175 0.000 2.444 482 V HA 0.252 4.372 4.120 0.001 0.000 0.294 482 V C -0.539 175.617 176.094 0.103 0.000 1.022 482 V CA -0.597 61.707 62.300 0.007 0.000 0.850 482 V CB 1.849 33.553 31.823 -0.199 0.000 0.992 482 V HN 0.852 nan 8.190 nan 0.000 0.426 483 D N 4.277 124.774 120.400 0.161 0.000 2.268 483 D HA 0.701 5.341 4.640 0.001 0.000 0.249 483 D C -0.526 175.860 176.300 0.143 0.000 1.008 483 D CA -0.569 53.555 54.000 0.206 0.000 0.939 483 D CB 2.441 43.446 40.800 0.341 0.000 1.170 483 D HN 0.495 nan 8.370 nan 0.000 0.468 484 I N 0.051 120.694 120.570 0.122 0.000 2.656 484 I HA 0.708 4.879 4.170 0.001 0.000 0.292 484 I C -1.896 174.268 176.117 0.078 0.000 1.144 484 I CA -0.618 60.727 61.300 0.075 0.000 1.038 484 I CB 1.580 39.615 38.000 0.058 0.000 1.244 484 I HN 0.804 nan 8.210 nan 0.000 0.420 485 A N 3.337 126.192 122.820 0.059 0.000 2.547 485 A HA 0.489 4.809 4.320 0.001 0.000 0.298 485 A C -0.454 177.121 177.584 -0.015 0.000 1.062 485 A CA -0.291 51.774 52.037 0.046 0.000 0.748 485 A CB 1.052 20.150 19.000 0.164 0.000 1.288 485 A HN 0.723 nan 8.150 nan 0.000 0.396 486 T N 1.518 115.994 114.554 -0.131 0.000 4.219 486 T HA 0.297 4.647 4.350 0.001 0.000 0.263 486 T C 0.876 175.524 174.700 -0.085 0.000 1.217 486 T CA -0.016 61.955 62.100 -0.215 0.000 1.145 486 T CB -0.453 68.020 68.868 -0.657 0.000 1.298 486 T HN 0.532 nan 8.240 nan 0.000 0.999 487 L N 2.835 124.076 121.223 0.031 0.000 2.084 487 L HA 0.253 4.594 4.340 0.001 0.000 0.202 487 L C 1.349 178.260 176.870 0.067 0.000 1.074 487 L CA 1.381 56.264 54.840 0.071 0.000 0.757 487 L CB -0.203 41.961 42.059 0.175 0.000 0.918 487 L HN 0.836 nan 8.230 nan 0.000 0.444 488 T N -4.317 110.298 114.554 0.102 0.000 2.879 488 T HA 0.507 4.858 4.350 0.001 0.000 0.290 488 T C 0.900 175.684 174.700 0.139 0.000 0.993 488 T CA -0.314 61.851 62.100 0.108 0.000 0.975 488 T CB 1.402 70.336 68.868 0.110 0.000 0.981 488 T HN 0.173 nan 8.240 nan 0.000 0.439 489 G N 1.411 110.297 108.800 0.144 0.000 2.470 489 G HA2 0.022 3.982 3.960 0.001 0.000 0.220 489 G HA3 0.022 3.982 3.960 0.001 0.000 0.220 489 G C 1.628 176.659 174.900 0.218 0.000 1.121 489 G CA 0.593 45.798 45.100 0.175 0.000 0.766 489 G HN 1.144 nan 8.290 nan 0.000 0.553 490 A N 0.857 123.806 122.820 0.215 0.000 1.997 490 A HA -0.133 4.188 4.320 0.001 0.000 0.221 490 A C 2.387 180.118 177.584 0.244 0.000 1.172 490 A CA 1.970 54.167 52.037 0.267 0.000 0.645 490 A CB -0.344 18.758 19.000 0.171 0.000 0.813 490 A HN 0.311 nan 8.150 nan 0.000 0.454 491 M N -0.481 119.231 119.600 0.187 0.000 2.144 491 M HA -0.160 4.320 4.480 0.001 0.000 0.260 491 M C 2.031 178.373 176.300 0.070 0.000 1.067 491 M CA 1.293 56.681 55.300 0.146 0.000 1.095 491 M CB -1.500 31.182 32.600 0.136 0.000 1.365 491 M HN 0.448 nan 8.290 nan 0.000 0.406 492 L N -1.897 119.335 121.223 0.014 0.000 2.261 492 L HA -0.235 4.105 4.340 0.001 0.000 0.216 492 L C 2.026 178.672 176.870 -0.373 0.000 1.114 492 L CA 1.204 55.931 54.840 -0.189 0.000 0.777 492 L CB -0.720 41.153 42.059 -0.311 0.000 0.910 492 L HN 0.246 nan 8.230 nan 0.000 0.440 493 Y N -1.306 119.001 120.300 0.012 0.000 2.503 493 Y HA -0.073 4.477 4.550 0.001 0.000 0.278 493 Y C 2.799 178.695 175.900 -0.006 0.000 1.111 493 Y CA 0.765 58.863 58.100 -0.004 0.000 1.270 493 Y CB 0.090 38.551 38.460 0.002 0.000 1.063 493 Y HN 0.208 nan 8.280 nan 0.000 0.548 494 S N -0.886 114.881 115.700 0.112 0.000 2.398 494 S HA 0.056 4.527 4.470 0.001 0.000 0.220 494 S C 1.455 176.040 174.600 -0.027 0.000 1.046 494 S CA 0.568 58.807 58.200 0.065 0.000 0.953 494 S CB -0.419 62.850 63.200 0.115 0.000 0.856 494 S HN 0.353 nan 8.310 nan 0.000 0.506 495 L N 0.518 121.723 121.223 -0.030 0.000 2.717 495 L HA 0.427 4.767 4.340 0.001 0.000 0.239 495 L C 1.509 178.318 176.870 -0.102 0.000 1.086 495 L CA 0.296 55.081 54.840 -0.091 0.000 0.897 495 L CB 0.129 42.181 42.059 -0.010 0.000 1.214 495 L HN 0.691 nan 8.230 nan 0.000 0.508 496 G N 1.290 110.046 108.800 -0.072 0.000 2.498 496 G HA2 -0.366 3.594 3.960 0.001 0.000 0.245 496 G HA3 -0.366 3.594 3.960 0.001 0.000 0.245 496 G C 0.634 175.531 174.900 -0.004 0.000 1.204 496 G CA 0.345 45.398 45.100 -0.079 0.000 0.933 496 G HN 0.219 nan 8.290 nan 0.000 0.574 497 T N -2.917 111.653 114.554 0.026 0.000 3.044 497 T HA 0.460 4.811 4.350 0.001 0.000 0.250 497 T C 2.141 176.908 174.700 0.112 0.000 1.081 497 T CA 1.725 63.893 62.100 0.113 0.000 1.040 497 T CB 0.393 69.371 68.868 0.183 0.000 0.962 497 T HN 0.647 nan 8.240 nan 0.000 0.506 498 S N -0.237 115.533 115.700 0.116 0.000 2.412 498 S HA 0.309 4.779 4.470 0.001 0.000 0.223 498 S C -0.095 174.736 174.600 0.385 0.000 1.048 498 S CA -0.136 58.208 58.200 0.239 0.000 0.954 498 S CB -0.097 63.255 63.200 0.253 0.000 0.840 498 S HN 0.624 nan 8.310 nan 0.000 0.503 499 Y N 0.982 121.285 120.300 0.004 0.000 2.352 499 Y HA 0.631 5.181 4.550 0.001 0.000 0.339 499 Y C 0.301 176.175 175.900 -0.044 0.000 0.992 499 Y CA -1.332 56.788 58.100 0.033 0.000 1.100 499 Y CB 1.160 39.654 38.460 0.056 0.000 1.192 499 Y HN 0.159 nan 8.280 nan 0.000 0.458 500 A N 2.145 124.985 122.820 0.034 0.000 2.287 500 A HA 0.694 5.014 4.320 0.001 0.000 0.273 500 A C 0.262 177.890 177.584 0.074 0.000 1.091 500 A CA -0.055 51.938 52.037 -0.074 0.000 0.817 500 A CB 0.259 19.138 19.000 -0.202 0.000 1.069 500 A HN 0.845 nan 8.150 nan 0.000 0.492 501 G N -1.049 107.774 108.800 0.039 0.000 2.388 501 G HA2 0.535 4.495 3.960 0.001 0.000 0.330 501 G HA3 0.535 4.495 3.960 0.001 0.000 0.330 501 G C -1.150 173.683 174.900 -0.111 0.000 1.142 501 G CA -0.298 44.795 45.100 -0.011 0.000 0.908 501 G HN 1.197 nan 8.290 nan 0.000 0.473 502 V N 2.486 122.265 119.914 -0.224 0.000 2.555 502 V HA 0.866 4.986 4.120 0.001 0.000 0.302 502 V C -1.236 174.693 176.094 -0.274 0.000 1.038 502 V CA -0.858 61.329 62.300 -0.189 0.000 0.887 502 V CB 1.128 32.845 31.823 -0.177 0.000 0.991 502 V HN 0.572 nan 8.190 nan 0.000 0.434 503 F N 3.936 123.876 119.950 -0.016 0.000 2.611 503 F HA 1.001 5.528 4.527 0.001 0.000 0.324 503 F C 0.672 176.352 175.800 -0.199 0.000 1.061 503 F CA 0.088 58.133 58.000 0.075 0.000 0.954 503 F CB 2.527 41.621 39.000 0.156 0.000 1.301 503 F HN 0.821 nan 8.300 nan 0.000 0.482 504 G N 0.493 109.335 108.800 0.069 0.000 2.342 504 G HA2 0.245 4.206 3.960 0.001 0.000 0.297 504 G HA3 0.245 4.206 3.960 0.001 0.000 0.297 504 G C -1.432 173.534 174.900 0.110 0.000 1.313 504 G CA -0.782 44.168 45.100 -0.249 0.000 0.830 504 G HN 0.663 nan 8.290 nan 0.000 0.506 505 N N -0.411 118.419 118.700 0.217 0.000 2.187 505 N HA 0.132 4.872 4.740 0.001 0.000 0.212 505 N C -0.087 175.536 175.510 0.189 0.000 1.152 505 N CA -0.304 52.931 53.050 0.307 0.000 0.872 505 N CB 0.674 39.433 38.487 0.454 0.000 1.025 505 N HN 0.468 nan 8.380 nan 0.000 0.514 506 N N 0.517 119.278 118.700 0.102 0.000 2.478 506 N HA 0.045 4.785 4.740 0.001 0.000 0.291 506 N C -0.402 175.071 175.510 -0.062 0.000 1.090 506 N CA -0.113 52.970 53.050 0.056 0.000 0.911 506 N CB 2.029 40.575 38.487 0.097 0.000 1.546 506 N HN 0.101 nan 8.380 nan 0.000 0.500 507 E N 1.296 121.460 120.200 -0.060 0.000 2.106 507 E HA -0.159 4.192 4.350 0.001 0.000 0.192 507 E C 0.814 177.270 176.600 -0.241 0.000 0.984 507 E CA 1.375 57.657 56.400 -0.197 0.000 0.806 507 E CB 0.458 30.116 29.700 -0.071 0.000 0.750 507 E HN 0.584 nan 8.360 nan 0.000 0.458 508 E N 0.089 120.219 120.200 -0.117 0.000 2.077 508 E HA -0.182 4.168 4.350 0.001 0.000 0.193 508 E C 1.948 178.454 176.600 -0.158 0.000 0.989 508 E CA 1.003 57.343 56.400 -0.101 0.000 0.800 508 E CB -0.483 29.213 29.700 -0.007 0.000 0.746 508 E HN 0.319 nan 8.360 nan 0.000 0.452 509 L N 0.495 121.626 121.223 -0.153 0.000 2.017 509 L HA -0.030 4.310 4.340 0.001 0.000 0.208 509 L C 2.249 178.916 176.870 -0.338 0.000 1.073 509 L CA 1.707 56.396 54.840 -0.252 0.000 0.745 509 L CB -0.588 41.372 42.059 -0.164 0.000 0.894 509 L HN 0.237 nan 8.230 nan 0.000 0.432 510 I N -0.008 120.319 120.570 -0.404 0.000 2.208 510 I HA -0.323 3.848 4.170 0.001 0.000 0.245 510 I C 2.080 177.885 176.117 -0.520 0.000 1.097 510 I CA 1.295 62.254 61.300 -0.570 0.000 1.363 510 I CB -0.535 36.904 38.000 -0.934 0.000 1.051 510 I HN 0.390 nan 8.210 nan 0.000 0.413 511 N N 0.916 119.346 118.700 -0.450 0.000 2.244 511 N HA -0.151 4.589 4.740 0.001 0.000 0.183 511 N C 1.736 177.121 175.510 -0.208 0.000 1.016 511 N CA 1.143 54.002 53.050 -0.318 0.000 0.866 511 N CB -0.145 38.197 38.487 -0.243 0.000 0.980 511 N HN 0.416 nan 8.380 nan 0.000 0.430 512 K N 0.425 120.719 120.400 -0.176 0.000 2.097 512 K HA 0.025 4.345 4.320 0.001 0.000 0.205 512 K C 1.816 178.383 176.600 -0.054 0.000 1.050 512 K CA 0.583 56.834 56.287 -0.060 0.000 0.938 512 K CB 0.104 32.626 32.500 0.036 0.000 0.718 512 K HN 0.060 nan 8.250 nan 0.000 0.442 513 I N 1.327 121.761 120.570 -0.227 0.000 2.226 513 I HA -0.227 3.944 4.170 0.001 0.000 0.245 513 I C 2.101 178.106 176.117 -0.187 0.000 1.100 513 I CA 1.513 62.647 61.300 -0.277 0.000 1.374 513 I CB -0.905 36.859 38.000 -0.393 0.000 1.057 513 I HN 0.175 nan 8.210 nan 0.000 0.413 514 L N -0.153 120.942 121.223 -0.213 0.000 2.275 514 L HA -0.190 4.150 4.340 0.001 0.000 0.215 514 L C 2.477 179.274 176.870 -0.121 0.000 1.119 514 L CA 0.720 55.454 54.840 -0.177 0.000 0.790 514 L CB -0.483 41.442 42.059 -0.224 0.000 0.919 514 L HN 0.244 nan 8.230 nan 0.000 0.443 515 Q N -0.077 119.663 119.800 -0.100 0.000 2.187 515 Q HA -0.073 4.267 4.340 0.001 0.000 0.199 515 Q C 2.292 178.275 176.000 -0.028 0.000 0.957 515 Q CA 1.573 57.342 55.803 -0.057 0.000 0.857 515 Q CB 0.039 28.750 28.738 -0.044 0.000 0.929 515 Q HN 0.368 nan 8.270 nan 0.000 0.453 516 S N -0.818 114.876 115.700 -0.011 0.000 2.446 516 S HA -0.038 4.432 4.470 0.001 0.000 0.225 516 S C 1.862 176.445 174.600 -0.028 0.000 1.016 516 S CA 0.687 58.896 58.200 0.016 0.000 0.943 516 S CB -0.222 63.030 63.200 0.086 0.000 0.786 516 S HN 0.395 nan 8.310 nan 0.000 0.508 517 S N 1.950 117.611 115.700 -0.065 0.000 2.370 517 S HA -0.192 4.278 4.470 0.001 0.000 0.226 517 S C 2.076 176.621 174.600 -0.091 0.000 1.033 517 S CA 1.873 60.020 58.200 -0.088 0.000 1.011 517 S CB -0.302 62.843 63.200 -0.092 0.000 0.852 517 S HN 0.451 nan 8.310 nan 0.000 0.457 518 K N 0.304 120.660 120.400 -0.074 0.000 2.103 518 K HA -0.029 4.292 4.320 0.001 0.000 0.204 518 K C 2.349 178.917 176.600 -0.053 0.000 1.052 518 K CA 1.850 58.096 56.287 -0.068 0.000 0.945 518 K CB -1.283 31.186 32.500 -0.052 0.000 0.722 518 K HN 0.879 nan 8.250 nan 0.000 0.443 519 T N -1.985 112.554 114.554 -0.025 0.000 3.054 519 T HA -0.002 4.349 4.350 0.001 0.000 0.259 519 T C 1.951 176.673 174.700 0.037 0.000 1.092 519 T CA 1.077 63.183 62.100 0.009 0.000 1.121 519 T CB -0.198 68.687 68.868 0.028 0.000 0.912 519 T HN 0.437 nan 8.240 nan 0.000 0.489 520 S N 1.623 117.332 115.700 0.016 0.000 2.528 520 S HA 0.093 4.564 4.470 0.001 0.000 0.219 520 S C 1.005 175.588 174.600 -0.029 0.000 0.985 520 S CA -0.031 58.196 58.200 0.045 0.000 0.914 520 S CB -0.649 62.538 63.200 -0.022 0.000 0.776 520 S HN 0.544 nan 8.310 nan 0.000 0.526 521 N N 1.628 120.236 118.700 -0.152 0.000 2.714 521 N HA -0.136 4.604 4.740 0.001 0.000 0.250 521 N C -1.222 174.129 175.510 -0.264 0.000 1.117 521 N CA 0.984 53.825 53.050 -0.350 0.000 0.719 521 N CB -1.206 36.757 38.487 -0.873 0.000 1.081 521 N HN 0.723 nan 8.380 nan 0.000 0.557 522 E N 1.198 121.285 120.200 -0.188 0.000 2.028 522 E HA 0.208 4.558 4.350 0.001 0.000 0.266 522 E C -2.304 174.264 176.600 -0.054 0.000 0.962 522 E CA -1.586 54.693 56.400 -0.201 0.000 0.784 522 E CB 0.927 30.279 29.700 -0.579 0.000 1.114 522 E HN 0.141 nan 8.360 nan 0.000 0.414 523 P HA 0.008 nan 4.420 nan 0.000 0.267 523 P C -0.409 176.834 177.300 -0.094 0.000 1.209 523 P CA 0.079 63.022 63.100 -0.262 0.000 0.763 523 P CB 0.922 32.194 31.700 -0.713 0.000 0.816 524 V N 4.744 124.612 119.914 -0.077 0.000 2.823 524 V HA 0.488 4.609 4.120 0.001 0.000 0.312 524 V C -0.503 175.687 176.094 0.160 0.000 1.072 524 V CA -0.643 61.697 62.300 0.067 0.000 0.937 524 V CB 2.958 34.808 31.823 0.044 0.000 1.013 524 V HN 0.656 nan 8.190 nan 0.000 0.430 525 W N 3.272 124.594 121.300 0.037 0.000 2.736 525 W HA 0.426 5.087 4.660 0.001 0.000 0.335 525 W C -1.496 175.057 176.519 0.056 0.000 1.059 525 W CA -0.878 56.524 57.345 0.095 0.000 1.226 525 W CB 2.051 31.627 29.460 0.194 0.000 1.416 525 W HN 0.732 nan 8.180 nan 0.000 0.505 526 W N 7.351 128.342 121.300 -0.515 0.000 2.311 526 W HA 0.483 5.143 4.660 0.000 0.000 0.310 526 W C -1.350 175.016 176.519 -0.256 0.000 1.274 526 W CA -0.662 56.442 57.345 -0.402 0.000 1.215 526 W CB 0.068 29.274 29.460 -0.422 0.000 1.227 526 W HN 0.171 nan 8.180 nan 0.000 0.523 527 L N 8.924 130.012 121.223 -0.225 0.000 2.341 527 L HA 0.562 4.903 4.340 0.001 0.000 0.267 527 L C -1.890 174.800 176.870 -0.299 0.000 1.009 527 L CA -2.270 52.343 54.840 -0.378 0.000 0.819 527 L CB 2.479 44.195 42.059 -0.572 0.000 1.323 527 L HN 0.265 nan 8.230 nan 0.000 0.425 528 P HA 0.331 nan 4.420 nan 0.000 0.290 528 P C -0.873 176.621 177.300 0.323 0.000 1.275 528 P CA -0.379 62.734 63.100 0.022 0.000 0.841 528 P CB 1.375 33.029 31.700 -0.076 0.000 1.042 529 I N 3.696 124.464 120.570 0.330 0.000 2.281 529 I HA 0.223 4.393 4.170 0.001 0.000 0.293 529 I C 0.646 176.845 176.117 0.137 0.000 1.085 529 I CA -0.484 61.001 61.300 0.308 0.000 1.257 529 I CB 0.020 38.222 38.000 0.337 0.000 1.430 529 I HN 0.124 nan 8.210 nan 0.000 0.489 530 I N 6.905 127.504 120.570 0.048 0.000 2.329 530 I HA 0.044 4.214 4.170 0.001 0.000 0.295 530 I C 1.329 177.331 176.117 -0.191 0.000 1.109 530 I CA -0.086 61.103 61.300 -0.184 0.000 1.297 530 I CB 0.091 37.763 38.000 -0.547 0.000 1.433 530 I HN 0.561 nan 8.210 nan 0.000 0.509 531 N N 4.425 123.073 118.700 -0.086 0.000 2.364 531 N HA -0.206 4.535 4.740 0.001 0.000 0.183 531 N C 1.642 177.121 175.510 -0.052 0.000 1.022 531 N CA 0.851 53.883 53.050 -0.029 0.000 0.883 531 N CB 0.055 38.543 38.487 0.002 0.000 0.965 531 N HN 0.634 nan 8.380 nan 0.000 0.438 532 E N 0.309 120.418 120.200 -0.150 0.000 2.209 532 E HA -0.176 4.174 4.350 0.001 0.000 0.196 532 E C 0.875 177.493 176.600 0.030 0.000 0.993 532 E CA 0.997 57.335 56.400 -0.103 0.000 0.819 532 E CB -0.083 29.524 29.700 -0.156 0.000 0.745 532 E HN 0.570 nan 8.360 nan 0.000 0.477 533 Y N -1.094 119.238 120.300 0.053 0.000 2.546 533 Y HA 0.045 4.595 4.550 0.001 0.000 0.287 533 Y C 2.238 178.170 175.900 0.054 0.000 1.158 533 Y CA -0.207 57.924 58.100 0.053 0.000 1.307 533 Y CB 0.169 38.666 38.460 0.062 0.000 1.036 533 Y HN -0.015 nan 8.280 nan 0.000 0.532 534 R N 2.016 122.620 120.500 0.172 0.000 2.094 534 R HA -0.225 4.116 4.340 0.001 0.000 0.239 534 R C 2.279 178.641 176.300 0.103 0.000 1.137 534 R CA 1.882 58.054 56.100 0.121 0.000 0.943 534 R CB -1.021 29.321 30.300 0.070 0.000 0.850 534 R HN 0.253 nan 8.270 nan 0.000 0.433 535 A N -0.568 122.305 122.820 0.088 0.000 2.042 535 A HA -0.222 4.098 4.320 0.001 0.000 0.222 535 A C 2.094 179.720 177.584 0.071 0.000 1.167 535 A CA 2.364 54.441 52.037 0.067 0.000 0.649 535 A CB -1.312 17.722 19.000 0.057 0.000 0.809 535 A HN 0.701 nan 8.150 nan 0.000 0.457 536 T N -2.613 111.996 114.554 0.092 0.000 3.118 536 T HA 0.191 4.541 4.350 0.001 0.000 0.260 536 T C 1.213 175.959 174.700 0.076 0.000 1.139 536 T CA 0.887 63.030 62.100 0.072 0.000 1.085 536 T CB -0.326 68.579 68.868 0.060 0.000 0.934 536 T HN 0.354 nan 8.240 nan 0.000 0.518 537 L N 0.493 121.775 121.223 0.097 0.000 2.628 537 L HA 0.323 4.664 4.340 0.001 0.000 0.229 537 L C 0.175 177.103 176.870 0.096 0.000 1.137 537 L CA -0.452 54.460 54.840 0.120 0.000 0.909 537 L CB -0.359 41.803 42.059 0.171 0.000 1.137 537 L HN 0.121 nan 8.230 nan 0.000 0.470 538 N N 1.233 119.972 118.700 0.065 0.000 2.452 538 N HA 0.023 4.764 4.740 0.001 0.000 0.266 538 N C -0.017 175.517 175.510 0.041 0.000 1.175 538 N CA 0.291 53.366 53.050 0.041 0.000 0.945 538 N CB 1.230 39.730 38.487 0.022 0.000 1.063 538 N HN -0.038 nan 8.380 nan 0.000 0.472 539 S N 1.478 117.205 115.700 0.044 0.000 2.578 539 S HA 0.231 4.702 4.470 0.001 0.000 0.283 539 S C 1.235 175.830 174.600 -0.008 0.000 1.195 539 S CA -0.615 57.617 58.200 0.052 0.000 1.050 539 S CB 1.270 64.528 63.200 0.096 0.000 1.012 539 S HN 0.488 nan 8.310 nan 0.000 0.511 540 K N 2.927 123.299 120.400 -0.048 0.000 2.097 540 K HA 0.026 4.346 4.320 0.001 0.000 0.205 540 K C 0.837 177.191 176.600 -0.411 0.000 1.050 540 K CA 1.921 58.053 56.287 -0.259 0.000 0.938 540 K CB -0.368 31.913 32.500 -0.364 0.000 0.718 540 K HN 0.799 nan 8.250 nan 0.000 0.442 541 Y N -1.066 119.248 120.300 0.023 0.000 2.522 541 Y HA 0.430 4.981 4.550 0.001 0.000 0.277 541 Y C 0.855 176.772 175.900 0.029 0.000 1.104 541 Y CA 0.086 58.200 58.100 0.022 0.000 1.260 541 Y CB 0.238 38.710 38.460 0.020 0.000 1.151 541 Y HN 0.023 nan 8.280 nan 0.000 0.539 542 A N -0.117 122.804 122.820 0.168 0.000 2.263 542 A HA 0.297 4.618 4.320 0.001 0.000 0.318 542 A C 0.555 178.188 177.584 0.082 0.000 1.111 542 A CA -0.264 51.849 52.037 0.128 0.000 0.901 542 A CB 0.306 19.392 19.000 0.142 0.000 1.280 542 A HN 0.177 nan 8.150 nan 0.000 0.503 543 D N -0.658 119.782 120.400 0.067 0.000 2.178 543 D HA 0.010 4.650 4.640 0.001 0.000 0.201 543 D C 0.331 176.654 176.300 0.040 0.000 0.980 543 D CA 1.695 55.713 54.000 0.030 0.000 0.842 543 D CB 0.110 40.908 40.800 -0.003 0.000 0.948 543 D HN 0.403 nan 8.370 nan 0.000 0.472 544 I N -0.216 120.413 120.570 0.098 0.000 2.841 544 I HA 0.117 4.288 4.170 0.001 0.000 0.298 544 I C -1.394 174.855 176.117 0.221 0.000 1.304 544 I CA -0.766 60.617 61.300 0.137 0.000 1.019 544 I CB 2.116 40.174 38.000 0.096 0.000 1.282 544 I HN -0.325 nan 8.210 nan 0.000 0.432 545 N N 4.813 123.640 118.700 0.212 0.000 2.529 545 N HA 0.138 4.878 4.740 0.001 0.000 0.278 545 N C 0.306 175.983 175.510 0.277 0.000 1.146 545 N CA -0.130 53.038 53.050 0.198 0.000 0.980 545 N CB 1.700 40.263 38.487 0.126 0.000 1.124 545 N HN 0.654 nan 8.380 nan 0.000 0.458 546 Q N 1.608 121.477 119.800 0.115 0.000 2.119 546 Q HA -0.044 4.296 4.340 0.001 0.000 0.201 546 Q C 0.217 176.091 176.000 -0.210 0.000 0.972 546 Q CA 1.148 56.806 55.803 -0.241 0.000 0.847 546 Q CB 0.186 28.806 28.738 -0.197 0.000 0.903 546 Q HN 0.740 nan 8.270 nan 0.000 0.433 547 I N -3.403 117.132 120.570 -0.057 0.000 2.934 547 I HA 0.463 4.633 4.170 0.001 0.000 0.306 547 I C -0.552 175.570 176.117 0.008 0.000 1.110 547 I CA -1.201 60.074 61.300 -0.043 0.000 1.019 547 I CB 2.132 40.100 38.000 -0.054 0.000 1.227 547 I HN -0.278 nan 8.210 nan 0.000 0.434 548 S N 1.340 117.042 115.700 0.003 0.000 2.523 548 S HA 0.235 4.706 4.470 0.001 0.000 0.275 548 S C 1.070 175.661 174.600 -0.013 0.000 1.281 548 S CA 0.044 58.246 58.200 0.004 0.000 1.050 548 S CB 0.825 64.013 63.200 -0.020 0.000 0.937 548 S HN 0.864 nan 8.310 nan 0.000 0.492 549 S N 3.135 118.831 115.700 -0.006 0.000 2.501 549 S HA -0.017 4.453 4.470 0.001 0.000 0.220 549 S C 1.579 176.163 174.600 -0.027 0.000 0.997 549 S CA 0.722 58.913 58.200 -0.015 0.000 0.919 549 S CB -0.233 62.965 63.200 -0.004 0.000 0.778 549 S HN 0.756 nan 8.310 nan 0.000 0.523 550 S N 0.801 116.481 115.700 -0.033 0.000 2.510 550 S HA 0.277 4.748 4.470 0.001 0.000 0.230 550 S C 0.510 175.055 174.600 -0.093 0.000 1.066 550 S CA 0.007 58.177 58.200 -0.049 0.000 0.941 550 S CB -0.796 62.384 63.200 -0.032 0.000 0.829 550 S HN 0.246 nan 8.310 nan 0.000 0.530 551 V N 4.027 123.858 119.914 -0.138 0.000 2.485 551 V HA 0.172 4.292 4.120 0.001 0.000 0.287 551 V C 0.931 176.910 176.094 -0.191 0.000 1.022 551 V CA -0.051 62.092 62.300 -0.262 0.000 1.067 551 V CB 0.725 32.276 31.823 -0.454 0.000 0.967 551 V HN 0.374 nan 8.190 nan 0.000 0.479 552 K N 3.601 123.897 120.400 -0.174 0.000 2.459 552 K HA 0.169 4.490 4.320 0.001 0.000 0.193 552 K C 1.121 177.668 176.600 -0.088 0.000 1.030 552 K CA 0.549 56.766 56.287 -0.116 0.000 1.026 552 K CB 0.058 32.497 32.500 -0.102 0.000 0.809 552 K HN 0.702 nan 8.250 nan 0.000 0.504 553 A N 2.291 125.038 122.820 -0.121 0.000 3.026 553 A HA 0.106 4.427 4.320 0.001 0.000 0.272 553 A C 1.256 178.856 177.584 0.025 0.000 1.782 553 A CA -0.086 51.944 52.037 -0.013 0.000 1.451 553 A CB -0.563 18.451 19.000 0.023 0.000 1.081 553 A HN 0.245 nan 8.150 nan 0.000 0.611 554 S N 0.015 115.732 115.700 0.029 0.000 2.489 554 S HA -0.094 4.377 4.470 0.001 0.000 0.228 554 S C 1.669 176.298 174.600 0.048 0.000 0.995 554 S CA 1.115 59.329 58.200 0.023 0.000 0.934 554 S CB -0.152 63.053 63.200 0.008 0.000 0.771 554 S HN 0.555 nan 8.310 nan 0.000 0.522 555 S N 2.135 117.894 115.700 0.099 0.000 2.402 555 S HA 0.152 4.622 4.470 0.001 0.000 0.229 555 S C 1.687 176.228 174.600 -0.098 0.000 1.021 555 S CA 1.020 59.269 58.200 0.082 0.000 0.974 555 S CB -0.435 62.938 63.200 0.287 0.000 0.800 555 S HN 0.526 nan 8.310 nan 0.000 0.484 556 I N 0.995 121.617 120.570 0.086 0.000 2.333 556 I HA -0.088 4.083 4.170 0.001 0.000 0.246 556 I C 2.143 178.320 176.117 0.101 0.000 1.106 556 I CA 0.749 62.125 61.300 0.128 0.000 1.411 556 I CB -0.484 37.745 38.000 0.380 0.000 1.082 556 I HN 0.139 nan 8.210 nan 0.000 0.420 557 V N 1.380 121.368 119.914 0.122 0.000 2.295 557 V HA -0.292 3.828 4.120 0.001 0.000 0.246 557 V C 2.784 178.940 176.094 0.103 0.000 1.049 557 V CA 2.053 64.431 62.300 0.129 0.000 1.024 557 V CB -1.107 30.759 31.823 0.071 0.000 0.648 557 V HN 0.487 nan 8.190 nan 0.000 0.447 558 A N -0.305 122.532 122.820 0.028 0.000 1.978 558 A HA -0.209 4.111 4.320 0.001 0.000 0.220 558 A C 2.453 180.052 177.584 0.025 0.000 1.170 558 A CA 2.214 54.258 52.037 0.012 0.000 0.636 558 A CB -0.623 18.353 19.000 -0.040 0.000 0.810 558 A HN 0.526 nan 8.150 nan 0.000 0.448 559 S N -0.331 115.320 115.700 -0.082 0.000 2.383 559 S HA -0.030 4.441 4.470 0.001 0.000 0.227 559 S C 1.771 176.505 174.600 0.223 0.000 1.026 559 S CA 1.138 59.337 58.200 -0.002 0.000 0.981 559 S CB -0.358 62.689 63.200 -0.255 0.000 0.818 559 S HN 0.527 nan 8.310 nan 0.000 0.472 560 L N -0.062 121.274 121.223 0.188 0.000 2.056 560 L HA -0.088 4.252 4.340 0.001 0.000 0.207 560 L C 2.190 179.169 176.870 0.182 0.000 1.078 560 L CA 1.331 56.288 54.840 0.195 0.000 0.749 560 L CB -0.391 41.783 42.059 0.192 0.000 0.901 560 L HN 0.297 nan 8.230 nan 0.000 0.433 561 F N 0.494 120.491 119.950 0.079 0.000 2.075 561 F HA -0.241 4.286 4.527 0.001 0.000 0.297 561 F C 2.211 178.108 175.800 0.161 0.000 1.113 561 F CA 1.579 59.651 58.000 0.121 0.000 1.218 561 F CB -0.090 38.971 39.000 0.102 0.000 0.984 561 F HN -0.128 nan 8.300 nan 0.000 0.472 562 L N 0.342 121.717 121.223 0.253 0.000 2.083 562 L HA -0.239 4.101 4.340 0.001 0.000 0.209 562 L C 2.476 179.121 176.870 -0.375 0.000 1.083 562 L CA 1.644 56.502 54.840 0.029 0.000 0.752 562 L CB -0.802 41.307 42.059 0.083 0.000 0.899 562 L HN 0.136 nan 8.230 nan 0.000 0.433 563 K N 0.232 120.424 120.400 -0.346 0.000 2.152 563 K HA -0.199 4.122 4.320 0.001 0.000 0.206 563 K C 1.875 178.250 176.600 -0.374 0.000 1.048 563 K CA 1.169 57.180 56.287 -0.459 0.000 0.933 563 K CB 0.096 32.603 32.500 0.010 0.000 0.721 563 K HN 0.242 nan 8.250 nan 0.000 0.447 564 E N -0.367 119.612 120.200 -0.368 0.000 2.333 564 E HA -0.166 4.184 4.350 0.001 0.000 0.198 564 E C 0.987 177.096 176.600 -0.819 0.000 1.007 564 E CA 0.939 56.984 56.400 -0.591 0.000 0.845 564 E CB -0.002 29.209 29.700 -0.815 0.000 0.766 564 E HN 0.403 nan 8.360 nan 0.000 0.507 565 F N -0.351 119.345 119.950 -0.423 0.000 2.695 565 F HA 0.111 4.639 4.527 0.001 0.000 0.303 565 F C 0.530 176.137 175.800 -0.321 0.000 1.091 565 F CA -0.097 57.698 58.000 -0.342 0.000 1.300 565 F CB 0.848 39.657 39.000 -0.318 0.000 1.071 565 F HN -0.311 nan 8.300 nan 0.000 0.578 566 V N 0.071 119.805 119.914 -0.300 0.000 2.350 566 V HA 0.134 4.254 4.120 0.001 0.000 0.285 566 V C 0.523 176.518 176.094 -0.166 0.000 1.014 566 V CA -0.255 61.899 62.300 -0.245 0.000 0.831 566 V CB 1.322 32.913 31.823 -0.386 0.000 1.000 566 V HN 0.028 nan 8.190 nan 0.000 0.433 567 Q N 2.335 122.070 119.800 -0.110 0.000 2.137 567 Q HA 0.101 4.441 4.340 0.001 0.000 0.198 567 Q C 1.239 177.214 176.000 -0.041 0.000 0.960 567 Q CA 1.207 56.959 55.803 -0.086 0.000 0.847 567 Q CB 0.082 28.773 28.738 -0.078 0.000 0.915 567 Q HN 0.833 nan 8.270 nan 0.000 0.448 568 N N -0.857 117.834 118.700 -0.014 0.000 2.278 568 N HA 0.061 4.802 4.740 0.001 0.000 0.239 568 N C -1.464 174.064 175.510 0.030 0.000 1.411 568 N CA 0.216 53.270 53.050 0.007 0.000 0.908 568 N CB 1.436 39.917 38.487 -0.010 0.000 1.307 568 N HN 0.200 nan 8.380 nan 0.000 0.522 569 T N 0.117 114.708 114.554 0.062 0.000 2.893 569 T HA 0.556 4.907 4.350 0.001 0.000 0.293 569 T C -0.156 174.659 174.700 0.191 0.000 1.027 569 T CA -0.452 61.707 62.100 0.099 0.000 0.988 569 T CB 2.270 71.192 68.868 0.091 0.000 1.043 569 T HN 0.199 nan 8.240 nan 0.000 0.461 570 A N 2.483 125.431 122.820 0.214 0.000 2.524 570 A HA 0.467 4.787 4.320 0.001 0.000 0.250 570 A C -0.708 177.107 177.584 0.385 0.000 1.078 570 A CA -0.068 52.147 52.037 0.296 0.000 0.761 570 A CB -0.360 18.859 19.000 0.364 0.000 1.012 570 A HN 0.876 nan 8.150 nan 0.000 0.500 571 W N 2.399 123.776 121.300 0.128 0.000 3.274 571 W HA 0.607 5.267 4.660 0.001 0.000 0.327 571 W C -0.707 175.866 176.519 0.090 0.000 1.172 571 W CA 0.068 57.480 57.345 0.112 0.000 1.217 571 W CB 1.150 30.673 29.460 0.105 0.000 1.376 571 W HN 0.960 nan 8.180 nan 0.000 0.507 572 A N 3.532 125.917 122.820 -0.726 0.000 2.515 572 A HA 0.719 5.039 4.320 0.001 0.000 0.296 572 A C -2.198 174.888 177.584 -0.830 0.000 1.094 572 A CA -0.713 50.799 52.037 -0.875 0.000 0.718 572 A CB 1.717 20.427 19.000 -0.485 0.000 1.307 572 A HN 0.999 nan 8.150 nan 0.000 0.408 573 H N 0.285 118.971 119.070 -0.641 0.000 2.840 573 H HA 0.663 5.219 4.556 0.001 0.000 0.340 573 H C -1.749 173.586 175.328 0.013 0.000 1.004 573 H CA -0.572 55.338 56.048 -0.231 0.000 1.288 573 H CB 0.681 30.367 29.762 -0.126 0.000 1.607 573 H HN 0.487 nan 8.280 nan 0.000 0.522 574 I N 4.343 124.726 120.570 -0.312 0.000 2.330 574 I HA 0.176 4.346 4.170 0.001 0.000 0.289 574 I C -0.343 175.575 176.117 -0.332 0.000 1.001 574 I CA -0.676 60.472 61.300 -0.253 0.000 1.193 574 I CB 1.332 39.282 38.000 -0.083 0.000 1.345 574 I HN 0.591 nan 8.210 nan 0.000 0.461 575 D N 7.732 127.968 120.400 -0.272 0.000 2.396 575 D HA 0.258 4.899 4.640 0.001 0.000 0.225 575 D C 0.525 176.795 176.300 -0.051 0.000 1.121 575 D CA -0.360 53.571 54.000 -0.116 0.000 0.853 575 D CB 1.030 41.894 40.800 0.105 0.000 1.043 575 D HN 0.558 nan 8.370 nan 0.000 0.500 576 I N 0.795 121.320 120.570 -0.075 0.000 3.884 576 I HA 0.350 4.520 4.170 0.001 0.000 0.330 576 I C 1.541 177.615 176.117 -0.072 0.000 1.451 576 I CA -0.555 60.656 61.300 -0.148 0.000 1.165 576 I CB 0.530 38.445 38.000 -0.142 0.000 1.097 576 I HN 0.182 nan 8.210 nan 0.000 0.404 577 A N 1.843 124.664 122.820 0.001 0.000 1.940 577 A HA -0.041 4.279 4.320 0.001 0.000 0.219 577 A C 2.287 180.015 177.584 0.239 0.000 1.176 577 A CA 1.955 54.049 52.037 0.095 0.000 0.631 577 A CB -1.132 17.945 19.000 0.128 0.000 0.814 577 A HN 0.572 nan 8.150 nan 0.000 0.446 578 G N -0.967 107.918 108.800 0.142 0.000 2.453 578 G HA2 0.098 4.059 3.960 0.001 0.000 0.215 578 G HA3 0.098 4.059 3.960 0.001 0.000 0.215 578 G C 1.361 176.366 174.900 0.175 0.000 1.147 578 G CA 1.309 46.512 45.100 0.171 0.000 0.802 578 G HN 1.029 nan 8.290 nan 0.000 0.535 579 V N -1.973 117.947 119.914 0.009 0.000 3.644 579 V HA 0.225 4.345 4.120 0.001 0.000 0.267 579 V C 2.352 178.436 176.094 -0.017 0.000 1.277 579 V CA 1.391 63.640 62.300 -0.086 0.000 1.096 579 V CB 0.347 31.879 31.823 -0.487 0.000 0.828 579 V HN 0.249 nan 8.190 nan 0.000 0.446 580 S N -0.235 115.520 115.700 0.092 0.000 2.383 580 S HA -0.119 4.352 4.470 0.001 0.000 0.227 580 S C 0.679 175.438 174.600 0.266 0.000 1.026 580 S CA 0.573 58.895 58.200 0.203 0.000 0.981 580 S CB -0.244 63.083 63.200 0.212 0.000 0.818 580 S HN 0.816 nan 8.310 nan 0.000 0.472 581 W N 2.760 124.064 121.300 0.008 0.000 2.433 581 W HA 0.444 5.104 4.660 0.001 0.000 0.315 581 W C -0.713 175.508 176.519 -0.497 0.000 1.087 581 W CA -0.970 56.191 57.345 -0.306 0.000 1.205 581 W CB 0.843 29.892 29.460 -0.685 0.000 1.288 581 W HN 0.129 nan 8.180 nan 0.000 0.504 582 N N 5.293 123.500 118.700 -0.821 0.000 2.439 582 N HA 0.063 4.804 4.740 0.001 0.000 0.243 582 N C 0.545 175.734 175.510 -0.534 0.000 1.088 582 N CA -0.030 52.731 53.050 -0.482 0.000 0.940 582 N CB 0.018 38.306 38.487 -0.332 0.000 1.180 582 N HN 0.293 nan 8.380 nan 0.000 0.505 583 F N 1.677 121.656 119.950 0.049 0.000 2.186 583 F HA -0.122 4.405 4.527 0.001 0.000 0.299 583 F C 2.352 178.197 175.800 0.075 0.000 1.090 583 F CA 0.652 58.753 58.000 0.167 0.000 1.307 583 F CB -0.054 39.041 39.000 0.158 0.000 1.019 583 F HN 0.322 nan 8.300 nan 0.000 0.489 584 K N -0.041 120.471 120.400 0.186 0.000 2.057 584 K HA 0.071 4.391 4.320 0.001 0.000 0.206 584 K C 2.187 178.821 176.600 0.058 0.000 1.050 584 K CA 0.956 57.313 56.287 0.116 0.000 0.935 584 K CB -0.957 31.596 32.500 0.088 0.000 0.715 584 K HN 0.331 nan 8.250 nan 0.000 0.439 585 A N -0.321 122.493 122.820 -0.009 0.000 2.238 585 A HA 0.215 4.535 4.320 0.001 0.000 0.210 585 A C 0.613 178.139 177.584 -0.096 0.000 1.179 585 A CA 0.434 52.443 52.037 -0.047 0.000 0.827 585 A CB -0.213 18.752 19.000 -0.058 0.000 0.856 585 A HN 0.529 nan 8.150 nan 0.000 0.488 586 R N -0.937 119.495 120.500 -0.114 0.000 3.422 586 R HA -0.191 4.150 4.340 0.001 0.000 0.267 586 R C -0.284 175.844 176.300 -0.286 0.000 1.074 586 R CA 1.440 57.543 56.100 0.005 0.000 0.718 586 R CB -2.219 28.171 30.300 0.149 0.000 1.157 586 R HN 0.846 nan 8.270 nan 0.000 0.440 587 K N -2.527 117.284 120.400 -0.982 0.000 2.548 587 K HA 0.638 4.958 4.320 0.001 0.000 0.282 587 K C -3.238 172.432 176.600 -1.549 0.000 1.006 587 K CA -2.412 53.216 56.287 -1.098 0.000 0.892 587 K CB 2.328 34.590 32.500 -0.396 0.000 1.499 587 K HN -0.276 nan 8.250 nan 0.000 0.433 588 P HA 0.175 nan 4.420 nan 0.000 0.274 588 P C -0.450 176.786 177.300 -0.107 0.000 1.231 588 P CA -0.501 62.381 63.100 -0.363 0.000 0.790 588 P CB 0.684 32.377 31.700 -0.012 0.000 0.951 589 K N 1.108 121.490 120.400 -0.030 0.000 2.361 589 K HA 0.105 4.425 4.320 0.001 0.000 0.196 589 K C 1.134 177.672 176.600 -0.104 0.000 1.039 589 K CA 0.670 56.963 56.287 0.010 0.000 1.001 589 K CB -0.420 32.140 32.500 0.100 0.000 0.795 589 K HN 0.837 nan 8.250 nan 0.000 0.495 590 G N 2.250 111.036 108.800 -0.022 0.000 2.221 590 G HA2 -0.297 3.663 3.960 0.001 0.000 0.265 590 G HA3 -0.297 3.663 3.960 0.001 0.000 0.265 590 G C -0.105 174.757 174.900 -0.065 0.000 1.041 590 G CA -0.119 44.930 45.100 -0.085 0.000 0.807 590 G HN 0.350 nan 8.290 nan 0.000 0.502 591 F N 0.677 120.580 119.950 -0.078 0.000 2.578 591 F HA 0.419 4.946 4.527 0.001 0.000 0.376 591 F C 1.524 177.295 175.800 -0.049 0.000 1.085 591 F CA 1.780 59.748 58.000 -0.054 0.000 1.260 591 F CB 0.719 39.713 39.000 -0.010 0.000 1.095 591 F HN 0.850 nan 8.300 nan 0.000 0.573 592 G N 3.279 111.730 108.800 -0.582 0.000 2.436 592 G HA2 -0.281 3.680 3.960 0.001 0.000 0.204 592 G HA3 -0.281 3.680 3.960 0.001 0.000 0.204 592 G C 0.783 175.560 174.900 -0.206 0.000 1.026 592 G CA -0.039 44.908 45.100 -0.256 0.000 0.658 592 G HN 0.642 nan 8.290 nan 0.000 0.499 593 V N 1.642 121.440 119.914 -0.193 0.000 2.255 593 V HA -0.177 3.944 4.120 0.001 0.000 0.247 593 V C 2.885 178.819 176.094 -0.267 0.000 1.051 593 V CA 2.941 65.141 62.300 -0.167 0.000 1.018 593 V CB -0.604 31.123 31.823 -0.160 0.000 0.641 593 V HN 0.488 nan 8.190 nan 0.000 0.445 594 R N -0.643 119.653 120.500 -0.340 0.000 2.066 594 R HA -0.123 4.217 4.340 0.001 0.000 0.232 594 R C 2.256 178.408 176.300 -0.246 0.000 1.131 594 R CA 1.521 57.371 56.100 -0.416 0.000 0.955 594 R CB -0.640 29.515 30.300 -0.243 0.000 0.851 594 R HN 0.395 nan 8.270 nan 0.000 0.432 595 L N 1.367 122.451 121.223 -0.231 0.000 1.971 595 L HA -0.202 4.138 4.340 0.001 0.000 0.215 595 L C 1.999 178.844 176.870 -0.042 0.000 1.072 595 L CA 1.795 56.546 54.840 -0.148 0.000 0.758 595 L CB -0.491 41.436 42.059 -0.221 0.000 0.889 595 L HN 0.147 nan 8.230 nan 0.000 0.433 596 L N -1.215 119.984 121.223 -0.041 0.000 2.079 596 L HA -0.221 4.120 4.340 0.001 0.000 0.210 596 L C 2.321 179.267 176.870 0.126 0.000 1.081 596 L CA 1.730 56.622 54.840 0.086 0.000 0.752 596 L CB -1.160 40.952 42.059 0.089 0.000 0.896 596 L HN 0.364 nan 8.230 nan 0.000 0.433 597 T N -1.206 113.337 114.554 -0.018 0.000 2.701 597 T HA -0.127 4.223 4.350 0.001 0.000 0.263 597 T C 1.786 176.525 174.700 0.065 0.000 1.040 597 T CA 0.938 63.020 62.100 -0.029 0.000 1.147 597 T CB -0.125 68.581 68.868 -0.270 0.000 0.865 597 T HN 0.275 nan 8.240 nan 0.000 0.426 598 E N 0.818 121.068 120.200 0.083 0.000 2.097 598 E HA -0.137 4.214 4.350 0.001 0.000 0.196 598 E C 1.910 178.572 176.600 0.103 0.000 1.000 598 E CA 0.973 57.456 56.400 0.137 0.000 0.804 598 E CB -0.500 29.278 29.700 0.131 0.000 0.740 598 E HN 0.504 nan 8.360 nan 0.000 0.454 599 F N 1.695 121.630 119.950 -0.025 0.000 2.065 599 F HA -0.253 4.275 4.527 0.001 0.000 0.298 599 F C 2.291 178.083 175.800 -0.014 0.000 1.112 599 F CA 1.327 59.300 58.000 -0.045 0.000 1.212 599 F CB -0.481 38.476 39.000 -0.071 0.000 0.975 599 F HN -0.203 nan 8.300 nan 0.000 0.476 600 V N -0.026 119.786 119.914 -0.171 0.000 2.427 600 V HA -0.260 3.860 4.120 0.001 0.000 0.248 600 V C 2.346 178.356 176.094 -0.140 0.000 1.051 600 V CA 1.555 63.728 62.300 -0.212 0.000 1.048 600 V CB -0.654 31.168 31.823 -0.003 0.000 0.666 600 V HN 0.318 nan 8.190 nan 0.000 0.456 601 L N 0.868 122.058 121.223 -0.054 0.000 2.095 601 L HA 0.010 4.350 4.340 0.001 0.000 0.204 601 L C 2.490 179.337 176.870 -0.038 0.000 1.080 601 L CA 2.294 57.124 54.840 -0.017 0.000 0.759 601 L CB -1.347 40.745 42.059 0.054 0.000 0.914 601 L HN 0.519 nan 8.230 nan 0.000 0.439 602 N N -1.711 116.957 118.700 -0.052 0.000 2.422 602 N HA -0.051 4.690 4.740 0.001 0.000 0.181 602 N C 1.007 176.473 175.510 -0.074 0.000 1.080 602 N CA 0.340 53.364 53.050 -0.043 0.000 0.893 602 N CB -0.489 37.990 38.487 -0.013 0.000 0.973 602 N HN 0.338 nan 8.380 nan 0.000 0.456 603 D N 0.000 120.315 120.400 -0.142 0.000 6.856 603 D HA 0.000 4.640 4.640 0.001 0.000 0.175 603 D CA 0.000 53.922 54.000 -0.130 0.000 0.868 603 D CB 0.000 40.693 40.800 -0.179 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683