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 2qg7_1_E DATA FIRST_RESID 50 DATA SEQUENCE YPITESNLRI LEGEDRSEKA KELLKKYVSN VFENEKTLYI YCKYVMLHYG DATA SEQUENCE KDLVXXNEVD SLEFQIINXG ITNILIKVKD MSKQAKYLIR LYGPKTDEII DATA SEQUENCE NREREKKISC ILYNKNIAKK IYVFFTNGRI EEFMDGYALS REDIKNPKFQ DATA SEQUENCE KLIAKNLKLL HDIKLNENLY KELQVTQKVP GTRPSFLWNT IWKYFHLLNE DATA SEQUENCE ERKKICSFDA KANILKLIDF DVLRDSIVEV ESLCKRENSP IVLCHCDLLS DATA SEQUENCE SNIINTVGXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXGDSISF DATA SEQUENCE IDFEYSCPME RAYDIANHFN EYAGFNCDWD LTPSKEEEYH FIMHYLGTDD DATA SEQUENCE EELINQLIRE IQPFYICSHI NWGLWSLLQG MHSSXDFDFI NYGMTRLTAS DATA SEQUENCE CLPIFRSKV 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 50 Y HA 0.000 nan 4.550 nan 0.000 0.201 50 Y C 0.000 175.879 175.900 -0.035 0.000 1.272 50 Y CA 0.000 58.093 58.100 -0.013 0.000 1.940 50 Y CB 0.000 38.455 38.460 -0.009 0.000 1.050 51 P HA 0.402 nan 4.420 nan 0.000 0.281 51 P C -0.882 176.402 177.300 -0.025 0.000 1.264 51 P CA -0.017 63.104 63.100 0.034 0.000 0.824 51 P CB 1.294 33.014 31.700 0.033 0.000 1.092 52 I N 0.361 120.856 120.570 -0.125 0.000 2.529 52 I HA 0.135 4.306 4.170 0.001 0.000 0.284 52 I C 0.896 176.975 176.117 -0.063 0.000 1.082 52 I CA 0.256 61.462 61.300 -0.157 0.000 1.406 52 I CB 0.536 38.367 38.000 -0.282 0.000 1.405 52 I HN 0.270 nan 8.210 nan 0.000 0.548 53 T N 4.248 118.737 114.554 -0.108 0.000 2.943 53 T HA 0.104 4.455 4.350 0.001 0.000 0.284 53 T C 1.057 175.727 174.700 -0.049 0.000 1.015 53 T CA -0.552 61.517 62.100 -0.052 0.000 1.042 53 T CB 1.775 70.616 68.868 -0.045 0.000 1.055 53 T HN 0.686 nan 8.240 nan 0.000 0.500 54 E N 0.862 121.051 120.200 -0.018 0.000 2.110 54 E HA -0.129 4.221 4.350 0.001 0.000 0.193 54 E C 1.758 178.355 176.600 -0.004 0.000 0.988 54 E CA 1.092 57.486 56.400 -0.009 0.000 0.804 54 E CB 0.052 29.747 29.700 -0.008 0.000 0.745 54 E HN 0.502 nan 8.360 nan 0.000 0.458 55 S N 0.300 115.993 115.700 -0.012 0.000 2.436 55 S HA -0.040 4.430 4.470 0.001 0.000 0.228 55 S C 1.440 176.030 174.600 -0.016 0.000 1.014 55 S CA 0.640 58.839 58.200 -0.002 0.000 0.950 55 S CB -0.259 62.943 63.200 0.004 0.000 0.784 55 S HN 0.361 nan 8.310 nan 0.000 0.504 56 N N 1.266 119.913 118.700 -0.087 0.000 2.104 56 N HA -0.039 4.701 4.740 0.001 0.000 0.190 56 N C 0.912 176.341 175.510 -0.134 0.000 1.024 56 N CA 1.007 53.930 53.050 -0.212 0.000 0.853 56 N CB -0.181 37.912 38.487 -0.657 0.000 1.008 56 N HN 0.313 nan 8.380 nan 0.000 0.424 57 L N 0.398 121.593 121.223 -0.046 0.000 2.653 57 L HA 0.190 4.530 4.340 0.001 0.000 0.231 57 L C 0.525 177.518 176.870 0.205 0.000 1.153 57 L CA -0.252 54.681 54.840 0.154 0.000 0.933 57 L CB 0.043 42.253 42.059 0.252 0.000 1.175 57 L HN 0.052 nan 8.230 nan 0.000 0.473 58 R N 1.349 121.911 120.500 0.104 0.000 2.389 58 R HA 0.371 4.712 4.340 0.001 0.000 0.295 58 R C -0.563 175.779 176.300 0.070 0.000 1.075 58 R CA 0.016 56.172 56.100 0.092 0.000 1.005 58 R CB 0.605 30.936 30.300 0.052 0.000 0.987 58 R HN 0.101 nan 8.270 nan 0.000 0.452 59 I N 6.592 127.206 120.570 0.073 0.000 2.355 59 I HA 0.196 4.367 4.170 0.001 0.000 0.288 59 I C -0.218 175.911 176.117 0.020 0.000 0.999 59 I CA -0.560 60.750 61.300 0.018 0.000 1.163 59 I CB 1.268 39.259 38.000 -0.014 0.000 1.316 59 I HN 0.432 nan 8.210 nan 0.000 0.454 60 L N 4.746 125.973 121.223 0.006 0.000 2.439 60 L HA 0.337 4.677 4.340 0.001 0.000 0.259 60 L C 0.891 177.762 176.870 0.001 0.000 1.129 60 L CA -0.651 54.193 54.840 0.007 0.000 0.803 60 L CB 0.335 42.398 42.059 0.006 0.000 1.161 60 L HN 0.538 nan 8.230 nan 0.000 0.462 61 E N 0.737 120.939 120.200 0.004 0.000 2.414 61 E HA 0.051 4.402 4.350 0.001 0.000 0.263 61 E C 0.928 177.526 176.600 -0.004 0.000 1.000 61 E CA 1.117 57.517 56.400 0.001 0.000 0.914 61 E CB 0.790 30.492 29.700 0.003 0.000 0.948 61 E HN 0.741 nan 8.360 nan 0.000 0.444 62 G N 4.290 113.085 108.800 -0.007 0.000 2.320 62 G HA2 -0.299 3.662 3.960 0.001 0.000 0.242 62 G HA3 -0.299 3.662 3.960 0.001 0.000 0.242 62 G C 0.122 175.011 174.900 -0.017 0.000 1.033 62 G CA 0.478 45.572 45.100 -0.011 0.000 0.620 62 G HN 0.596 nan 8.290 nan 0.000 0.517 63 E N 1.285 121.472 120.200 -0.021 0.000 2.398 63 E HA 0.350 4.700 4.350 0.001 0.000 0.263 63 E C -0.406 176.169 176.600 -0.041 0.000 1.046 63 E CA -0.094 56.286 56.400 -0.032 0.000 0.908 63 E CB 0.628 30.306 29.700 -0.037 0.000 0.963 63 E HN 0.270 nan 8.360 nan 0.000 0.431 64 D N 1.518 121.887 120.400 -0.052 0.000 2.338 64 D HA -0.022 4.619 4.640 0.001 0.000 0.255 64 D C 0.947 177.197 176.300 -0.084 0.000 1.237 64 D CA 0.221 54.185 54.000 -0.059 0.000 0.883 64 D CB 0.553 41.317 40.800 -0.060 0.000 1.087 64 D HN 0.346 nan 8.370 nan 0.000 0.485 65 R N 2.307 122.763 120.500 -0.074 0.000 2.105 65 R HA -0.136 4.204 4.340 0.001 0.000 0.239 65 R C 1.437 177.648 176.300 -0.148 0.000 1.135 65 R CA 1.447 57.490 56.100 -0.095 0.000 0.967 65 R CB 0.115 30.389 30.300 -0.043 0.000 0.861 65 R HN 0.391 nan 8.270 nan 0.000 0.442 66 S N 0.259 115.888 115.700 -0.118 0.000 2.371 66 S HA -0.123 4.348 4.470 0.001 0.000 0.224 66 S C 1.628 176.108 174.600 -0.200 0.000 1.029 66 S CA 1.228 59.345 58.200 -0.138 0.000 0.978 66 S CB -0.110 63.041 63.200 -0.081 0.000 0.833 66 S HN 0.391 nan 8.310 nan 0.000 0.466 67 E N 1.729 121.830 120.200 -0.165 0.000 2.106 67 E HA -0.102 4.249 4.350 0.001 0.000 0.192 67 E C 1.834 178.305 176.600 -0.214 0.000 0.984 67 E CA 1.162 57.456 56.400 -0.176 0.000 0.806 67 E CB 0.019 29.648 29.700 -0.118 0.000 0.750 67 E HN 0.086 nan 8.360 nan 0.000 0.458 68 K N -0.103 120.170 120.400 -0.212 0.000 2.116 68 K HA 0.088 4.409 4.320 0.001 0.000 0.203 68 K C 2.014 178.395 176.600 -0.365 0.000 1.052 68 K CA 0.981 57.128 56.287 -0.234 0.000 0.952 68 K CB -0.308 32.078 32.500 -0.190 0.000 0.729 68 K HN 0.224 nan 8.250 nan 0.000 0.446 69 A N 1.752 124.278 122.820 -0.490 0.000 1.930 69 A HA -0.163 4.157 4.320 0.001 0.000 0.217 69 A C 2.200 179.472 177.584 -0.520 0.000 1.175 69 A CA 1.522 53.130 52.037 -0.715 0.000 0.627 69 A CB -0.295 18.326 19.000 -0.631 0.000 0.815 69 A HN 0.258 nan 8.150 nan 0.000 0.443 70 K N 0.449 120.524 120.400 -0.541 0.000 1.991 70 K HA -0.240 4.080 4.320 0.001 0.000 0.212 70 K C 2.006 178.354 176.600 -0.420 0.000 1.049 70 K CA 1.945 57.790 56.287 -0.736 0.000 0.932 70 K CB -0.279 31.756 32.500 -0.775 0.000 0.717 70 K HN 0.747 nan 8.250 nan 0.000 0.441 71 E N 0.493 120.526 120.200 -0.278 0.000 2.274 71 E HA -0.159 4.192 4.350 0.001 0.000 0.194 71 E C 2.091 178.646 176.600 -0.076 0.000 0.996 71 E CA 0.692 57.001 56.400 -0.152 0.000 0.840 71 E CB -0.214 29.415 29.700 -0.117 0.000 0.772 71 E HN 0.342 nan 8.360 nan 0.000 0.491 72 L N 0.583 121.762 121.223 -0.075 0.000 2.179 72 L HA -0.055 4.285 4.340 0.001 0.000 0.208 72 L C 2.475 179.499 176.870 0.258 0.000 1.096 72 L CA 0.576 55.491 54.840 0.125 0.000 0.779 72 L CB -0.235 41.865 42.059 0.068 0.000 0.922 72 L HN 0.155 nan 8.230 nan 0.000 0.443 73 L N -0.439 120.824 121.223 0.067 0.000 2.141 73 L HA -0.143 4.197 4.340 0.001 0.000 0.209 73 L C 2.553 179.571 176.870 0.247 0.000 1.094 73 L CA 0.943 55.864 54.840 0.134 0.000 0.763 73 L CB -0.317 41.675 42.059 -0.112 0.000 0.908 73 L HN 0.191 nan 8.230 nan 0.000 0.437 74 K N 0.034 120.501 120.400 0.111 0.000 2.186 74 K HA -0.114 4.207 4.320 0.001 0.000 0.202 74 K C 1.980 178.603 176.600 0.040 0.000 1.052 74 K CA 0.767 57.114 56.287 0.101 0.000 0.965 74 K CB 0.067 32.587 32.500 0.034 0.000 0.746 74 K HN 0.193 nan 8.250 nan 0.000 0.457 75 K N -0.079 120.300 120.400 -0.035 0.000 2.167 75 K HA -0.040 4.281 4.320 0.001 0.000 0.203 75 K C -0.128 176.201 176.600 -0.451 0.000 1.052 75 K CA 0.737 56.852 56.287 -0.288 0.000 0.956 75 K CB 0.283 32.511 32.500 -0.452 0.000 0.735 75 K HN -0.018 nan 8.250 nan 0.000 0.451 76 Y N 0.646 121.038 120.300 0.154 0.000 2.842 76 Y HA 0.170 4.720 4.550 0.001 0.000 0.334 76 Y C 0.137 176.080 175.900 0.071 0.000 1.019 76 Y CA -0.972 57.185 58.100 0.095 0.000 1.258 76 Y CB 1.507 40.035 38.460 0.113 0.000 1.106 76 Y HN -0.144 nan 8.280 nan 0.000 0.545 77 V N -2.350 117.635 119.914 0.117 0.000 3.380 77 V HA 0.064 4.185 4.120 0.001 0.000 0.307 77 V C 1.343 177.454 176.094 0.028 0.000 1.434 77 V CA 0.637 63.015 62.300 0.130 0.000 1.075 77 V CB 0.338 32.256 31.823 0.159 0.000 0.954 77 V HN 0.603 nan 8.190 nan 0.000 0.444 78 S N 0.435 116.097 115.700 -0.063 0.000 2.461 78 S HA -0.093 4.377 4.470 0.001 0.000 0.228 78 S C 1.229 175.729 174.600 -0.165 0.000 1.005 78 S CA 0.828 58.977 58.200 -0.086 0.000 0.942 78 S CB -0.660 62.489 63.200 -0.084 0.000 0.776 78 S HN 0.634 nan 8.310 nan 0.000 0.514 79 N N 0.083 118.556 118.700 -0.378 0.000 2.778 79 N HA -0.120 4.621 4.740 0.001 0.000 0.249 79 N C -0.819 174.344 175.510 -0.578 0.000 1.069 79 N CA 0.988 53.745 53.050 -0.488 0.000 0.831 79 N CB -1.922 36.550 38.487 -0.025 0.000 1.142 79 N HN 0.461 nan 8.380 nan 0.000 0.573 80 V N 1.267 120.834 119.914 -0.578 0.000 2.383 80 V HA 0.503 4.623 4.120 0.001 0.000 0.275 80 V C 0.310 176.069 176.094 -0.558 0.000 1.036 80 V CA -0.315 61.774 62.300 -0.352 0.000 0.889 80 V CB 0.575 32.347 31.823 -0.085 0.000 0.985 80 V HN 0.043 nan 8.190 nan 0.000 0.459 81 F N 1.843 121.762 119.950 -0.052 0.000 2.522 81 F HA 0.379 4.907 4.527 0.001 0.000 0.324 81 F C 1.396 177.156 175.800 -0.066 0.000 1.077 81 F CA -0.651 57.299 58.000 -0.084 0.000 0.944 81 F CB 1.917 40.846 39.000 -0.120 0.000 1.175 81 F HN 0.609 nan 8.300 nan 0.000 0.468 82 E N 1.604 121.878 120.200 0.124 0.000 2.072 82 E HA -0.176 4.175 4.350 0.001 0.000 0.191 82 E C -0.307 176.308 176.600 0.025 0.000 0.985 82 E CA 1.510 57.940 56.400 0.049 0.000 0.801 82 E CB 0.121 29.837 29.700 0.027 0.000 0.750 82 E HN 0.829 nan 8.360 nan 0.000 0.452 83 N N -1.815 116.889 118.700 0.007 0.000 3.243 83 N HA 0.029 4.769 4.740 0.001 0.000 0.280 83 N C -0.028 175.386 175.510 -0.160 0.000 1.545 83 N CA -0.507 52.509 53.050 -0.057 0.000 0.854 83 N CB 0.439 38.890 38.487 -0.060 0.000 1.612 83 N HN -0.088 nan 8.380 nan 0.000 0.577 84 E N -0.425 119.631 120.200 -0.239 0.000 2.204 84 E HA -0.157 4.194 4.350 0.001 0.000 0.194 84 E C 1.193 177.346 176.600 -0.745 0.000 0.989 84 E CA 1.022 57.114 56.400 -0.512 0.000 0.824 84 E CB 0.121 29.580 29.700 -0.401 0.000 0.756 84 E HN 0.543 nan 8.360 nan 0.000 0.477 85 K N -0.394 119.787 120.400 -0.365 0.000 2.116 85 K HA -0.072 4.248 4.320 0.001 0.000 0.203 85 K C 1.849 178.320 176.600 -0.215 0.000 1.052 85 K CA 1.524 57.681 56.287 -0.216 0.000 0.952 85 K CB 0.105 32.560 32.500 -0.075 0.000 0.729 85 K HN 0.046 nan 8.250 nan 0.000 0.446 86 T N 2.230 116.662 114.554 -0.203 0.000 2.788 86 T HA -0.154 4.196 4.350 0.001 0.000 0.268 86 T C 1.700 176.183 174.700 -0.361 0.000 1.044 86 T CA 1.178 63.186 62.100 -0.153 0.000 1.139 86 T CB -0.207 68.659 68.868 -0.004 0.000 0.867 86 T HN 0.175 nan 8.240 nan 0.000 0.454 87 L N 0.628 121.452 121.223 -0.665 0.000 1.989 87 L HA -0.114 4.226 4.340 0.001 0.000 0.211 87 L C 2.145 178.638 176.870 -0.628 0.000 1.071 87 L CA 1.762 55.937 54.840 -1.109 0.000 0.749 87 L CB -0.960 40.553 42.059 -0.911 0.000 0.890 87 L HN 0.395 nan 8.230 nan 0.000 0.431 88 Y N -0.832 119.174 120.300 -0.489 0.000 2.256 88 Y HA -0.249 4.302 4.550 0.001 0.000 0.288 88 Y C 2.460 177.955 175.900 -0.676 0.000 1.155 88 Y CA 0.869 58.606 58.100 -0.605 0.000 1.203 88 Y CB -0.300 37.964 38.460 -0.326 0.000 0.980 88 Y HN 0.255 nan 8.280 nan 0.000 0.530 89 I N -1.258 119.111 120.570 -0.335 0.000 2.252 89 I HA -0.329 3.842 4.170 0.001 0.000 0.245 89 I C 2.228 177.908 176.117 -0.730 0.000 1.102 89 I CA 1.320 62.330 61.300 -0.483 0.000 1.385 89 I CB -0.483 37.320 38.000 -0.328 0.000 1.064 89 I HN 0.175 nan 8.210 nan 0.000 0.414 90 Y N 0.914 120.896 120.300 -0.531 0.000 2.165 90 Y HA -0.333 4.217 4.550 0.001 0.000 0.286 90 Y C 2.701 178.431 175.900 -0.284 0.000 1.155 90 Y CA 1.521 59.447 58.100 -0.291 0.000 1.164 90 Y CB -0.377 38.032 38.460 -0.085 0.000 0.978 90 Y HN 0.207 nan 8.280 nan 0.000 0.513 91 C N 0.141 119.224 119.300 -0.362 0.000 2.425 91 C HA -0.150 4.310 4.460 0.001 0.000 0.277 91 C C 2.612 177.337 174.990 -0.441 0.000 1.280 91 C CA 1.209 59.961 59.018 -0.442 0.000 1.744 91 C CB -0.938 26.343 27.740 -0.766 0.000 1.989 91 C HN 0.502 nan 8.230 nan 0.000 0.491 92 K N -0.319 119.750 120.400 -0.553 0.000 2.097 92 K HA -0.137 4.183 4.320 0.001 0.000 0.206 92 K C 1.733 178.303 176.600 -0.050 0.000 1.049 92 K CA 1.537 57.717 56.287 -0.179 0.000 0.933 92 K CB -0.212 32.151 32.500 -0.229 0.000 0.717 92 K HN 0.534 nan 8.250 nan 0.000 0.442 93 Y N 0.011 120.210 120.300 -0.169 0.000 2.337 93 Y HA -0.098 4.452 4.550 0.001 0.000 0.293 93 Y C 2.217 177.974 175.900 -0.239 0.000 1.123 93 Y CA -0.126 57.847 58.100 -0.210 0.000 1.201 93 Y CB -0.872 37.415 38.460 -0.288 0.000 1.011 93 Y HN -0.220 nan 8.280 nan 0.000 0.545 94 V N -0.220 119.628 119.914 -0.111 0.000 2.287 94 V HA -0.335 3.785 4.120 0.001 0.000 0.248 94 V C 2.350 178.446 176.094 0.004 0.000 1.053 94 V CA 1.778 64.038 62.300 -0.066 0.000 1.027 94 V CB -0.552 31.269 31.823 -0.004 0.000 0.646 94 V HN 0.295 nan 8.190 nan 0.000 0.447 95 M N -1.046 118.573 119.600 0.033 0.000 2.296 95 M HA -0.054 4.426 4.480 0.001 0.000 0.265 95 M C 2.055 178.350 176.300 -0.008 0.000 1.064 95 M CA 1.487 56.801 55.300 0.023 0.000 1.109 95 M CB -1.245 31.411 32.600 0.092 0.000 1.396 95 M HN 0.379 nan 8.290 nan 0.000 0.430 96 L N -0.893 120.341 121.223 0.018 0.000 2.095 96 L HA -0.092 4.249 4.340 0.001 0.000 0.204 96 L C 2.506 179.370 176.870 -0.009 0.000 1.080 96 L CA 1.754 56.603 54.840 0.015 0.000 0.759 96 L CB -0.664 41.431 42.059 0.062 0.000 0.914 96 L HN 0.376 nan 8.230 nan 0.000 0.439 97 H N -2.402 116.552 119.070 -0.193 0.000 2.334 97 H HA -0.056 4.500 4.556 0.001 0.000 0.315 97 H C 2.051 177.225 175.328 -0.258 0.000 1.056 97 H CA 1.272 57.137 56.048 -0.305 0.000 1.418 97 H CB -0.035 29.405 29.762 -0.537 0.000 1.464 97 H HN 0.324 nan 8.280 nan 0.000 0.587 98 Y N 0.507 120.603 120.300 -0.339 0.000 2.163 98 Y HA -0.025 4.526 4.550 0.001 0.000 0.288 98 Y C 2.291 178.078 175.900 -0.190 0.000 1.136 98 Y CA 0.682 58.567 58.100 -0.359 0.000 1.147 98 Y CB 0.137 38.361 38.460 -0.392 0.000 0.987 98 Y HN 0.286 nan 8.280 nan 0.000 0.509 99 G N 0.459 109.256 108.800 -0.004 0.000 3.782 99 G HA2 0.080 4.040 3.960 0.001 0.000 0.288 99 G HA3 0.080 4.040 3.960 0.001 0.000 0.288 99 G C 0.909 175.729 174.900 -0.133 0.000 1.300 99 G CA -0.370 44.672 45.100 -0.096 0.000 1.261 99 G HN 0.420 nan 8.290 nan 0.000 0.591 100 K N -0.577 119.763 120.400 -0.099 0.000 2.103 100 K HA -0.002 4.319 4.320 0.001 0.000 0.204 100 K C 0.571 177.122 176.600 -0.082 0.000 1.052 100 K CA 0.998 57.236 56.287 -0.081 0.000 0.945 100 K CB 0.179 32.642 32.500 -0.063 0.000 0.722 100 K HN 0.028 nan 8.250 nan 0.000 0.443 101 D N 0.623 120.973 120.400 -0.083 0.000 2.319 101 D HA 0.095 4.735 4.640 0.001 0.000 0.230 101 D C 1.256 177.488 176.300 -0.114 0.000 1.094 101 D CA 0.381 54.339 54.000 -0.070 0.000 0.856 101 D CB 0.379 41.157 40.800 -0.037 0.000 0.915 101 D HN 0.269 nan 8.370 nan 0.000 0.517 102 L N -0.864 120.242 121.223 -0.194 0.000 2.653 102 L HA 0.200 4.540 4.340 0.001 0.000 0.230 102 L C 0.534 177.246 176.870 -0.263 0.000 1.055 102 L CA 0.194 54.839 54.840 -0.325 0.000 0.880 102 L CB 0.822 42.475 42.059 -0.677 0.000 1.195 102 L HN -0.200 nan 8.230 nan 0.000 0.492 107 E N 0.718 120.913 120.200 -0.008 0.000 2.106 107 E HA 0.078 4.428 4.350 0.001 0.000 0.192 107 E C 0.200 176.798 176.600 -0.004 0.000 0.984 107 E CA 1.425 57.822 56.400 -0.005 0.000 0.806 107 E CB 0.098 29.793 29.700 -0.008 0.000 0.750 107 E HN 0.514 nan 8.360 nan 0.000 0.458 108 V N 3.096 123.004 119.914 -0.010 0.000 2.427 108 V HA 0.089 4.210 4.120 0.001 0.000 0.268 108 V C -0.147 175.945 176.094 -0.005 0.000 1.046 108 V CA 0.393 62.684 62.300 -0.015 0.000 0.970 108 V CB 1.014 32.820 31.823 -0.029 0.000 1.001 108 V HN 0.327 nan 8.190 nan 0.000 0.476 109 D N 2.217 122.619 120.400 0.003 0.000 2.788 109 D HA 0.067 4.707 4.640 0.001 0.000 0.289 109 D C 0.592 176.890 176.300 -0.002 0.000 1.340 109 D CA -0.304 53.711 54.000 0.025 0.000 0.831 109 D CB 0.700 41.531 40.800 0.051 0.000 1.103 109 D HN 0.382 nan 8.370 nan 0.000 0.476 110 S N 0.156 115.831 115.700 -0.041 0.000 2.573 110 S HA 0.233 4.703 4.470 0.001 0.000 0.244 110 S C 0.687 175.203 174.600 -0.140 0.000 0.984 110 S CA -0.465 57.693 58.200 -0.069 0.000 1.001 110 S CB -0.058 63.108 63.200 -0.056 0.000 0.788 110 S HN 0.302 nan 8.310 nan 0.000 0.456 111 L N 2.070 123.167 121.223 -0.210 0.000 2.349 111 L HA 0.307 4.647 4.340 0.001 0.000 0.275 111 L C 0.656 177.159 176.870 -0.611 0.000 1.115 111 L CA -0.239 54.340 54.840 -0.436 0.000 0.820 111 L CB 0.512 42.213 42.059 -0.596 0.000 1.135 111 L HN 0.078 nan 8.230 nan 0.000 0.445 112 E N 3.044 122.911 120.200 -0.555 0.000 2.194 112 E HA 0.287 4.637 4.350 0.001 0.000 0.284 112 E C -1.173 175.016 176.600 -0.685 0.000 1.035 112 E CA -0.093 56.020 56.400 -0.478 0.000 0.836 112 E CB 1.046 30.568 29.700 -0.296 0.000 1.070 112 E HN 0.247 nan 8.360 nan 0.000 0.401 113 F N 2.134 121.854 119.950 -0.384 0.000 2.444 113 F HA 0.231 4.758 4.527 0.001 0.000 0.342 113 F C 0.562 175.991 175.800 -0.618 0.000 1.121 113 F CA -0.832 56.853 58.000 -0.524 0.000 0.997 113 F CB 1.588 40.123 39.000 -0.775 0.000 1.130 113 F HN 0.178 nan 8.300 nan 0.000 0.454 114 Q N 3.907 123.645 119.800 -0.104 0.000 2.292 114 Q HA 0.386 4.726 4.340 0.001 0.000 0.270 114 Q C -0.948 175.158 176.000 0.176 0.000 1.024 114 Q CA -0.568 55.243 55.803 0.013 0.000 0.768 114 Q CB 1.856 30.588 28.738 -0.009 0.000 1.250 114 Q HN 0.765 nan 8.270 nan 0.000 0.447 115 I N 4.983 125.737 120.570 0.307 0.000 2.581 115 I HA 0.147 4.318 4.170 0.001 0.000 0.285 115 I C -0.750 175.468 176.117 0.168 0.000 1.129 115 I CA -0.003 61.444 61.300 0.246 0.000 1.397 115 I CB 0.166 38.290 38.000 0.207 0.000 1.399 115 I HN 0.702 nan 8.210 nan 0.000 0.537 116 I N 8.199 128.865 120.570 0.160 0.000 2.910 116 I HA 0.399 4.570 4.170 0.001 0.000 0.310 116 I C -0.081 176.113 176.117 0.128 0.000 1.043 116 I CA -0.598 60.789 61.300 0.144 0.000 1.053 116 I CB 1.537 39.640 38.000 0.172 0.000 1.242 116 I HN 0.560 nan 8.210 nan 0.000 0.452 120 I N -2.582 118.020 120.570 0.053 0.000 4.433 120 I HA 0.294 4.464 4.170 0.001 0.000 0.322 120 I C 1.860 178.061 176.117 0.140 0.000 1.284 120 I CA 1.159 62.467 61.300 0.014 0.000 1.269 120 I CB 1.040 38.907 38.000 -0.221 0.000 1.219 120 I HN 0.448 nan 8.210 nan 0.000 0.436 121 T N -1.837 112.845 114.554 0.213 0.000 3.069 121 T HA 0.384 4.734 4.350 0.001 0.000 0.252 121 T C 0.229 175.058 174.700 0.214 0.000 1.053 121 T CA -0.286 61.965 62.100 0.252 0.000 0.964 121 T CB -0.792 68.282 68.868 0.344 0.000 1.005 121 T HN 0.380 nan 8.240 nan 0.000 0.532 122 N N 0.173 118.989 118.700 0.193 0.000 2.312 122 N HA 0.676 5.416 4.740 0.001 0.000 0.296 122 N C -1.569 174.047 175.510 0.176 0.000 1.193 122 N CA -1.037 52.136 53.050 0.205 0.000 0.773 122 N CB 2.097 40.708 38.487 0.206 0.000 1.435 122 N HN 0.103 nan 8.380 nan 0.000 0.484 123 I N 1.547 122.227 120.570 0.183 0.000 2.378 123 I HA 0.341 4.511 4.170 0.001 0.000 0.291 123 I C -0.912 175.306 176.117 0.168 0.000 0.992 123 I CA -0.545 60.856 61.300 0.168 0.000 1.154 123 I CB 1.270 39.381 38.000 0.186 0.000 1.315 123 I HN 0.233 nan 8.210 nan 0.000 0.448 124 L N 7.315 128.634 121.223 0.160 0.000 2.296 124 L HA 0.568 4.908 4.340 0.001 0.000 0.286 124 L C -0.959 176.023 176.870 0.187 0.000 1.023 124 L CA -0.622 54.321 54.840 0.172 0.000 0.812 124 L CB 1.555 43.713 42.059 0.166 0.000 1.223 124 L HN 0.472 nan 8.230 nan 0.000 0.421 125 I N 3.682 124.376 120.570 0.207 0.000 2.439 125 I HA 0.259 4.429 4.170 0.001 0.000 0.285 125 I C -0.104 176.155 176.117 0.236 0.000 1.021 125 I CA -0.451 60.987 61.300 0.231 0.000 1.091 125 I CB 1.699 39.846 38.000 0.244 0.000 1.242 125 I HN 0.405 nan 8.210 nan 0.000 0.439 126 K N 5.952 126.463 120.400 0.185 0.000 2.339 126 K HA 0.549 4.869 4.320 0.001 0.000 0.286 126 K C -1.160 175.446 176.600 0.011 0.000 1.050 126 K CA -0.270 56.063 56.287 0.077 0.000 0.956 126 K CB 0.814 33.303 32.500 -0.018 0.000 0.990 126 K HN 0.478 nan 8.250 nan 0.000 0.475 127 V N 5.608 125.505 119.914 -0.029 0.000 2.357 127 V HA 0.292 4.412 4.120 0.001 0.000 0.284 127 V C -0.458 175.499 176.094 -0.228 0.000 1.018 127 V CA -0.832 61.383 62.300 -0.142 0.000 0.841 127 V CB 1.261 33.119 31.823 0.059 0.000 0.991 127 V HN 0.782 nan 8.190 nan 0.000 0.437 128 K N 2.734 122.930 120.400 -0.339 0.000 2.156 128 K HA 0.622 4.942 4.320 0.001 0.000 0.254 128 K C -1.181 175.280 176.600 -0.232 0.000 0.950 128 K CA -0.847 55.273 56.287 -0.278 0.000 0.849 128 K CB 2.066 34.404 32.500 -0.271 0.000 1.100 128 K HN 0.572 nan 8.250 nan 0.000 0.434 129 D N 2.000 122.307 120.400 -0.155 0.000 2.502 129 D HA 0.173 4.814 4.640 0.001 0.000 0.249 129 D C 0.212 176.453 176.300 -0.098 0.000 1.092 129 D CA -0.575 53.358 54.000 -0.111 0.000 0.839 129 D CB 1.760 42.537 40.800 -0.038 0.000 1.264 129 D HN 0.339 nan 8.370 nan 0.000 0.511 130 M N 2.602 122.146 119.600 -0.093 0.000 2.193 130 M HA -0.081 4.400 4.480 0.001 0.000 0.265 130 M C 1.789 178.058 176.300 -0.052 0.000 1.071 130 M CA 1.564 56.821 55.300 -0.073 0.000 1.140 130 M CB -0.265 32.293 32.600 -0.070 0.000 1.369 130 M HN 0.418 nan 8.290 nan 0.000 0.423 131 S N -1.086 114.587 115.700 -0.045 0.000 2.428 131 S HA -0.020 4.451 4.470 0.001 0.000 0.230 131 S C 1.822 176.407 174.600 -0.025 0.000 1.014 131 S CA 0.730 58.911 58.200 -0.031 0.000 0.957 131 S CB -0.302 62.882 63.200 -0.027 0.000 0.784 131 S HN 0.411 nan 8.310 nan 0.000 0.499 132 K N 0.144 120.529 120.400 -0.026 0.000 2.373 132 K HA 0.246 4.567 4.320 0.001 0.000 0.200 132 K C 0.191 176.771 176.600 -0.033 0.000 1.054 132 K CA 0.200 56.476 56.287 -0.018 0.000 1.065 132 K CB 0.148 32.649 32.500 0.002 0.000 0.886 132 K HN 0.403 nan 8.250 nan 0.000 0.546 133 Q N 0.440 120.211 119.800 -0.048 0.000 2.439 133 Q HA -0.223 4.117 4.340 0.001 0.000 0.325 133 Q C -1.227 174.723 176.000 -0.083 0.000 1.372 133 Q CA 0.695 56.460 55.803 -0.064 0.000 0.909 133 Q CB -1.260 27.450 28.738 -0.047 0.000 1.167 133 Q HN 0.341 nan 8.270 nan 0.000 0.418 134 A N 1.430 124.182 122.820 -0.114 0.000 2.393 134 A HA 0.756 5.076 4.320 0.001 0.000 0.306 134 A C -0.856 176.533 177.584 -0.324 0.000 1.050 134 A CA -0.852 51.064 52.037 -0.201 0.000 0.724 134 A CB 1.392 20.274 19.000 -0.197 0.000 1.248 134 A HN 0.234 nan 8.150 nan 0.000 0.424 135 K N 1.525 121.685 120.400 -0.401 0.000 2.244 135 K HA 0.617 4.937 4.320 0.001 0.000 0.260 135 K C -1.569 174.763 176.600 -0.447 0.000 0.951 135 K CA -0.254 55.794 56.287 -0.400 0.000 0.826 135 K CB 1.676 33.890 32.500 -0.477 0.000 1.108 135 K HN 0.672 nan 8.250 nan 0.000 0.433 136 Y N 0.850 121.154 120.300 0.008 0.000 2.650 136 Y HA 0.612 5.163 4.550 0.001 0.000 0.331 136 Y C -0.616 175.390 175.900 0.177 0.000 1.082 136 Y CA -1.354 56.830 58.100 0.139 0.000 1.171 136 Y CB 1.232 39.734 38.460 0.071 0.000 1.326 136 Y HN 0.322 nan 8.280 nan 0.000 0.513 137 L N 1.649 123.122 121.223 0.417 0.000 2.436 137 L HA 0.613 4.954 4.340 0.001 0.000 0.268 137 L C -1.588 175.448 176.870 0.277 0.000 0.974 137 L CA -0.500 54.540 54.840 0.333 0.000 0.826 137 L CB 1.438 43.702 42.059 0.342 0.000 1.291 137 L HN 0.494 nan 8.230 nan 0.000 0.406 138 I N 4.587 125.309 120.570 0.252 0.000 2.354 138 I HA 0.509 4.680 4.170 0.001 0.000 0.292 138 I C -0.182 176.042 176.117 0.179 0.000 0.989 138 I CA -0.595 60.840 61.300 0.224 0.000 1.188 138 I CB 1.490 39.642 38.000 0.253 0.000 1.342 138 I HN 0.552 nan 8.210 nan 0.000 0.457 139 R N 7.335 127.900 120.500 0.107 0.000 2.393 139 R HA 0.623 4.964 4.340 0.001 0.000 0.315 139 R C -1.669 174.604 176.300 -0.045 0.000 0.952 139 R CA -0.615 55.534 56.100 0.081 0.000 0.842 139 R CB 1.095 31.458 30.300 0.105 0.000 1.163 139 R HN 0.632 nan 8.270 nan 0.000 0.450 140 L N 5.570 126.827 121.223 0.057 0.000 2.305 140 L HA 0.423 4.764 4.340 0.001 0.000 0.284 140 L C -0.758 176.182 176.870 0.116 0.000 1.013 140 L CA -1.096 53.760 54.840 0.026 0.000 0.819 140 L CB 1.028 43.216 42.059 0.216 0.000 1.227 140 L HN 0.507 nan 8.230 nan 0.000 0.417 141 Y N 1.335 121.702 120.300 0.111 0.000 2.326 141 Y HA 0.384 4.934 4.550 0.001 0.000 0.333 141 Y C 1.128 177.085 175.900 0.095 0.000 1.240 141 Y CA -0.771 57.382 58.100 0.089 0.000 1.365 141 Y CB 0.268 38.764 38.460 0.060 0.000 1.289 141 Y HN 0.613 nan 8.280 nan 0.000 0.548 142 G N 1.285 110.243 108.800 0.263 0.000 2.516 142 G HA2 0.297 4.257 3.960 0.001 0.000 0.276 142 G HA3 0.297 4.257 3.960 0.001 0.000 0.276 142 G C -2.053 172.930 174.900 0.139 0.000 1.390 142 G CA -1.205 44.000 45.100 0.174 0.000 1.050 142 G HN 0.523 nan 8.290 nan 0.000 0.519 143 P HA 0.235 nan 4.420 nan 0.000 0.255 143 P C -0.469 176.849 177.300 0.031 0.000 1.427 143 P CA 0.294 63.430 63.100 0.060 0.000 0.863 143 P CB 0.030 31.762 31.700 0.053 0.000 1.444 144 K N -0.844 119.586 120.400 0.050 0.000 2.682 144 K HA 0.287 4.608 4.320 0.001 0.000 0.189 144 K C 0.589 177.218 176.600 0.049 0.000 1.062 144 K CA -0.120 56.185 56.287 0.029 0.000 0.997 144 K CB 0.507 33.022 32.500 0.025 0.000 1.405 144 K HN -0.255 nan 8.250 nan 0.000 0.588 145 T N -0.546 114.025 114.554 0.029 0.000 2.971 145 T HA 0.076 4.427 4.350 0.001 0.000 0.252 145 T C 0.393 175.087 174.700 -0.010 0.000 1.022 145 T CA 0.622 62.725 62.100 0.004 0.000 0.980 145 T CB 0.321 69.224 68.868 0.058 0.000 1.044 145 T HN 0.248 nan 8.240 nan 0.000 0.501 146 D N 0.181 120.589 120.400 0.013 0.000 2.331 146 D HA 0.129 4.770 4.640 0.001 0.000 0.300 146 D C 1.764 178.095 176.300 0.051 0.000 1.090 146 D CA 0.260 54.273 54.000 0.021 0.000 0.905 146 D CB 0.147 40.956 40.800 0.014 0.000 1.600 146 D HN 0.431 nan 8.370 nan 0.000 0.511 147 E N 1.075 121.302 120.200 0.046 0.000 2.118 147 E HA -0.134 4.216 4.350 0.001 0.000 0.195 147 E C 2.012 178.720 176.600 0.180 0.000 0.992 147 E CA 1.273 57.719 56.400 0.077 0.000 0.804 147 E CB -0.021 29.687 29.700 0.014 0.000 0.741 147 E HN 0.457 nan 8.360 nan 0.000 0.458 148 I N -2.757 117.935 120.570 0.204 0.000 4.312 148 I HA 0.240 4.410 4.170 0.001 0.000 0.324 148 I C 0.601 176.909 176.117 0.317 0.000 1.298 148 I CA -0.157 61.376 61.300 0.390 0.000 1.231 148 I CB 0.667 38.964 38.000 0.495 0.000 1.152 148 I HN -0.173 nan 8.210 nan 0.000 0.421 149 I N 2.160 122.811 120.570 0.134 0.000 2.465 149 I HA 0.346 4.516 4.170 0.001 0.000 0.291 149 I C -0.826 175.282 176.117 -0.015 0.000 1.014 149 I CA -0.543 60.756 61.300 -0.002 0.000 1.093 149 I CB 1.695 39.615 38.000 -0.134 0.000 1.267 149 I HN 0.057 nan 8.210 nan 0.000 0.431 150 N N 5.755 124.443 118.700 -0.020 0.000 2.527 150 N HA 0.226 4.966 4.740 0.001 0.000 0.236 150 N C 0.839 176.312 175.510 -0.062 0.000 0.999 150 N CA -0.334 52.706 53.050 -0.017 0.000 0.935 150 N CB 1.073 39.575 38.487 0.024 0.000 1.132 150 N HN 0.465 nan 8.380 nan 0.000 0.511 151 R N 2.550 123.001 120.500 -0.081 0.000 2.115 151 R HA -0.077 4.263 4.340 0.001 0.000 0.230 151 R C 0.843 177.079 176.300 -0.106 0.000 1.111 151 R CA 1.182 57.215 56.100 -0.112 0.000 0.976 151 R CB 0.019 30.263 30.300 -0.094 0.000 0.870 151 R HN 0.591 nan 8.270 nan 0.000 0.445 152 E N 0.148 120.300 120.200 -0.080 0.000 2.107 152 E HA -0.069 4.281 4.350 0.001 0.000 0.191 152 E C 2.032 178.578 176.600 -0.091 0.000 0.982 152 E CA 0.579 56.923 56.400 -0.093 0.000 0.809 152 E CB -0.107 29.561 29.700 -0.053 0.000 0.756 152 E HN 0.040 nan 8.360 nan 0.000 0.459 153 R N 1.205 121.671 120.500 -0.057 0.000 2.090 153 R HA -0.092 4.248 4.340 0.001 0.000 0.228 153 R C 1.961 178.210 176.300 -0.084 0.000 1.110 153 R CA 1.224 57.294 56.100 -0.050 0.000 0.973 153 R CB -0.067 30.238 30.300 0.008 0.000 0.869 153 R HN 0.258 nan 8.270 nan 0.000 0.440 154 E N 0.560 120.707 120.200 -0.087 0.000 2.153 154 E HA -0.202 4.148 4.350 0.001 0.000 0.194 154 E C 1.822 178.378 176.600 -0.074 0.000 0.988 154 E CA 1.080 57.432 56.400 -0.079 0.000 0.811 154 E CB 0.115 29.762 29.700 -0.088 0.000 0.746 154 E HN 0.208 nan 8.360 nan 0.000 0.466 155 K N 0.573 120.883 120.400 -0.150 0.000 2.062 155 K HA -0.125 4.195 4.320 0.001 0.000 0.205 155 K C 2.064 178.546 176.600 -0.196 0.000 1.051 155 K CA 1.164 57.278 56.287 -0.287 0.000 0.941 155 K CB 0.162 32.344 32.500 -0.529 0.000 0.719 155 K HN -0.047 nan 8.250 nan 0.000 0.440 156 K N 0.516 120.824 120.400 -0.152 0.000 2.026 156 K HA -0.093 4.227 4.320 0.001 0.000 0.208 156 K C 2.048 178.590 176.600 -0.098 0.000 1.048 156 K CA 1.204 57.423 56.287 -0.113 0.000 0.929 156 K CB -0.113 32.327 32.500 -0.099 0.000 0.713 156 K HN 0.123 nan 8.250 nan 0.000 0.439 157 I N 1.501 122.005 120.570 -0.110 0.000 2.208 157 I HA -0.264 3.907 4.170 0.001 0.000 0.245 157 I C 2.216 178.267 176.117 -0.111 0.000 1.097 157 I CA 1.409 62.636 61.300 -0.121 0.000 1.363 157 I CB -1.174 36.752 38.000 -0.124 0.000 1.051 157 I HN 0.082 nan 8.210 nan 0.000 0.413 158 S N 0.714 116.375 115.700 -0.065 0.000 2.370 158 S HA -0.221 4.249 4.470 0.001 0.000 0.226 158 S C 2.224 176.825 174.600 0.002 0.000 1.033 158 S CA 1.841 60.026 58.200 -0.026 0.000 1.011 158 S CB -0.435 62.829 63.200 0.107 0.000 0.852 158 S HN 0.740 nan 8.310 nan 0.000 0.457 159 C N 1.012 120.324 119.300 0.021 0.000 2.486 159 C HA 0.199 4.660 4.460 0.001 0.000 0.279 159 C C 2.272 177.292 174.990 0.050 0.000 1.302 159 C CA -0.204 58.858 59.018 0.074 0.000 1.720 159 C CB -1.590 26.186 27.740 0.059 0.000 2.030 159 C HN 0.511 nan 8.230 nan 0.000 0.490 160 I N 1.788 122.344 120.570 -0.023 0.000 2.145 160 I HA -0.260 3.911 4.170 0.001 0.000 0.244 160 I C 2.774 178.843 176.117 -0.079 0.000 1.075 160 I CA 2.013 63.280 61.300 -0.055 0.000 1.332 160 I CB -0.456 37.492 38.000 -0.087 0.000 1.033 160 I HN 0.330 nan 8.210 nan 0.000 0.410 161 L N -0.927 120.222 121.223 -0.123 0.000 2.093 161 L HA -0.233 4.108 4.340 0.001 0.000 0.208 161 L C 2.657 179.453 176.870 -0.124 0.000 1.085 161 L CA 1.308 56.030 54.840 -0.198 0.000 0.755 161 L CB -0.807 40.986 42.059 -0.444 0.000 0.904 161 L HN 0.243 nan 8.230 nan 0.000 0.435 162 Y N 1.276 121.480 120.300 -0.160 0.000 2.200 162 Y HA -0.197 4.353 4.550 0.001 0.000 0.290 162 Y C 2.435 178.285 175.900 -0.082 0.000 1.137 162 Y CA 1.508 59.541 58.100 -0.111 0.000 1.163 162 Y CB -0.264 38.144 38.460 -0.086 0.000 0.988 162 Y HN 0.189 nan 8.280 nan 0.000 0.518 163 N N 0.223 118.802 118.700 -0.203 0.000 2.309 163 N HA -0.120 4.621 4.740 0.001 0.000 0.182 163 N C 1.163 176.546 175.510 -0.212 0.000 1.018 163 N CA 1.141 54.047 53.050 -0.240 0.000 0.876 163 N CB -0.137 38.305 38.487 -0.075 0.000 0.972 163 N HN 0.336 nan 8.380 nan 0.000 0.434 164 K N 0.807 121.106 120.400 -0.168 0.000 2.374 164 K HA 0.122 4.442 4.320 0.001 0.000 0.196 164 K C -0.222 176.288 176.600 -0.150 0.000 1.023 164 K CA -0.162 56.043 56.287 -0.136 0.000 1.103 164 K CB 0.028 32.468 32.500 -0.101 0.000 0.848 164 K HN 0.055 nan 8.250 nan 0.000 0.528 165 N N 0.744 119.323 118.700 -0.202 0.000 2.783 165 N HA -0.163 4.578 4.740 0.001 0.000 0.247 165 N C 0.439 175.875 175.510 -0.124 0.000 1.089 165 N CA 0.941 53.881 53.050 -0.183 0.000 0.690 165 N CB -1.913 36.475 38.487 -0.165 0.000 0.991 165 N HN 0.452 nan 8.380 nan 0.000 0.552 166 I N -6.049 114.453 120.570 -0.113 0.000 4.624 166 I HA 0.510 4.681 4.170 0.001 0.000 0.327 166 I C 0.652 176.757 176.117 -0.020 0.000 1.295 166 I CA -0.240 61.018 61.300 -0.070 0.000 1.267 166 I CB 0.464 38.433 38.000 -0.052 0.000 1.249 166 I HN 0.120 nan 8.210 nan 0.000 0.440 167 A N 2.229 124.975 122.820 -0.123 0.000 2.312 167 A HA 0.604 4.925 4.320 0.001 0.000 0.328 167 A C -0.049 177.607 177.584 0.120 0.000 1.158 167 A CA -0.572 51.441 52.037 -0.042 0.000 0.821 167 A CB 1.007 19.833 19.000 -0.290 0.000 1.170 167 A HN 0.060 nan 8.150 nan 0.000 0.490 168 K N 0.628 121.109 120.400 0.136 0.000 2.118 168 K HA 0.181 4.501 4.320 0.001 0.000 0.240 168 K C 0.013 176.608 176.600 -0.008 0.000 1.035 168 K CA -0.343 56.013 56.287 0.115 0.000 0.899 168 K CB 0.601 33.129 32.500 0.047 0.000 1.085 168 K HN 0.709 nan 8.250 nan 0.000 0.498 169 K N 1.459 121.721 120.400 -0.231 0.000 2.276 169 K HA 0.183 4.504 4.320 0.001 0.000 0.283 169 K C -0.479 175.704 176.600 -0.694 0.000 1.044 169 K CA -0.104 55.724 56.287 -0.765 0.000 0.944 169 K CB 0.318 32.264 32.500 -0.922 0.000 1.012 169 K HN 0.367 nan 8.250 nan 0.000 0.472 170 I N 6.047 126.255 120.570 -0.603 0.000 2.321 170 I HA 0.101 4.272 4.170 0.001 0.000 0.291 170 I C 0.013 175.804 176.117 -0.543 0.000 0.998 170 I CA -0.607 60.365 61.300 -0.546 0.000 1.227 170 I CB 0.849 38.533 38.000 -0.527 0.000 1.368 170 I HN 0.774 nan 8.210 nan 0.000 0.466 171 Y N 5.202 125.368 120.300 -0.225 0.000 2.201 171 Y HA 0.109 4.660 4.550 0.001 0.000 0.292 171 Y C 0.812 176.625 175.900 -0.145 0.000 1.119 171 Y CA 0.554 58.576 58.100 -0.130 0.000 1.127 171 Y CB 0.030 38.466 38.460 -0.040 0.000 1.019 171 Y HN 0.218 nan 8.280 nan 0.000 0.514 172 V N -0.279 119.598 119.914 -0.063 0.000 2.709 172 V HA 0.294 4.415 4.120 0.001 0.000 0.308 172 V C -1.296 174.624 176.094 -0.290 0.000 1.062 172 V CA -1.224 61.053 62.300 -0.039 0.000 0.901 172 V CB 1.956 33.863 31.823 0.140 0.000 1.003 172 V HN -0.133 nan 8.190 nan 0.000 0.425 173 F N 4.988 124.937 119.950 -0.003 0.000 2.436 173 F HA 0.813 5.340 4.527 0.001 0.000 0.340 173 F C -0.122 175.621 175.800 -0.095 0.000 1.113 173 F CA -0.556 57.371 58.000 -0.122 0.000 1.022 173 F CB 1.446 40.418 39.000 -0.046 0.000 1.128 173 F HN 0.513 nan 8.300 nan 0.000 0.466 174 F N -2.013 117.884 119.950 -0.088 0.000 2.629 174 F HA 0.480 5.007 4.527 0.001 0.000 0.316 174 F C 1.015 176.808 175.800 -0.013 0.000 1.081 174 F CA -1.112 56.763 58.000 -0.208 0.000 0.954 174 F CB 0.598 39.085 39.000 -0.854 0.000 1.337 174 F HN 0.370 nan 8.300 nan 0.000 0.474 175 T N -2.679 112.028 114.554 0.256 0.000 3.025 175 T HA -0.128 4.223 4.350 0.001 0.000 0.270 175 T C 0.537 175.381 174.700 0.240 0.000 1.126 175 T CA 1.782 64.017 62.100 0.226 0.000 1.105 175 T CB -1.042 67.951 68.868 0.208 0.000 0.884 175 T HN 0.862 nan 8.240 nan 0.000 0.522 176 N N -0.549 118.264 118.700 0.188 0.000 2.143 176 N HA 0.486 5.226 4.740 0.001 0.000 0.229 176 N C 0.475 175.715 175.510 -0.450 0.000 1.294 176 N CA -0.234 52.880 53.050 0.106 0.000 0.883 176 N CB 1.182 39.825 38.487 0.259 0.000 1.148 176 N HN 0.482 nan 8.380 nan 0.000 0.511 177 G N 0.099 108.236 108.800 -1.106 0.000 2.325 177 G HA2 0.456 4.417 3.960 0.001 0.000 0.295 177 G HA3 0.456 4.417 3.960 0.001 0.000 0.295 177 G C -2.030 171.699 174.900 -1.952 0.000 1.274 177 G CA -0.916 43.151 45.100 -1.721 0.000 0.857 177 G HN 0.459 nan 8.290 nan 0.000 0.499 178 R N -1.552 118.200 120.500 -1.246 0.000 2.752 178 R HA 0.758 5.099 4.340 0.001 0.000 0.271 178 R C -1.650 174.503 176.300 -0.246 0.000 1.026 178 R CA -1.041 54.540 56.100 -0.865 0.000 0.901 178 R CB 1.229 31.209 30.300 -0.534 0.000 1.243 178 R HN 0.492 nan 8.270 nan 0.000 0.463 179 I N 1.613 122.139 120.570 -0.074 0.000 2.362 179 I HA 0.346 4.517 4.170 0.001 0.000 0.289 179 I C -0.270 175.930 176.117 0.138 0.000 0.994 179 I CA -0.542 60.836 61.300 0.131 0.000 1.158 179 I CB 1.717 39.840 38.000 0.206 0.000 1.315 179 I HN 0.735 nan 8.210 nan 0.000 0.451 180 E N 4.808 125.131 120.200 0.204 0.000 2.410 180 E HA 0.430 4.781 4.350 0.001 0.000 0.269 180 E C -1.097 175.679 176.600 0.294 0.000 0.937 180 E CA -1.015 55.444 56.400 0.098 0.000 0.793 180 E CB 1.866 31.554 29.700 -0.020 0.000 1.314 180 E HN 0.490 nan 8.360 nan 0.000 0.447 181 E N 1.147 121.398 120.200 0.085 0.000 2.344 181 E HA 0.076 4.427 4.350 0.001 0.000 0.270 181 E C -1.143 175.582 176.600 0.209 0.000 1.021 181 E CA -0.442 56.092 56.400 0.224 0.000 0.887 181 E CB 0.468 30.164 29.700 -0.006 0.000 0.997 181 E HN 0.387 nan 8.360 nan 0.000 0.429 182 F N 5.213 125.221 119.950 0.097 0.000 2.443 182 F HA 0.201 4.728 4.527 0.001 0.000 0.353 182 F C -0.288 175.534 175.800 0.037 0.000 1.101 182 F CA -0.105 57.929 58.000 0.057 0.000 1.226 182 F CB 0.631 39.643 39.000 0.020 0.000 1.140 182 F HN 0.415 nan 8.300 nan 0.000 0.557 183 M N 6.509 125.641 119.600 -0.780 0.000 2.253 183 M HA 0.249 4.729 4.480 0.001 0.000 0.314 183 M C -1.100 174.607 176.300 -0.988 0.000 1.019 183 M CA -0.752 54.175 55.300 -0.622 0.000 0.932 183 M CB 0.937 33.366 32.600 -0.285 0.000 1.606 183 M HN 0.592 nan 8.290 nan 0.000 0.430 184 D N 2.262 122.318 120.400 -0.572 0.000 2.357 184 D HA 0.677 5.317 4.640 0.001 0.000 0.242 184 D C 0.178 176.389 176.300 -0.148 0.000 1.153 184 D CA 1.169 55.013 54.000 -0.261 0.000 0.918 184 D CB 1.459 42.283 40.800 0.040 0.000 1.181 184 D HN 0.925 nan 8.370 nan 0.000 0.435 185 G N 0.273 109.057 108.800 -0.027 0.000 2.353 185 G HA2 0.162 4.122 3.960 0.001 0.000 0.424 185 G HA3 0.162 4.122 3.960 0.001 0.000 0.424 185 G C -1.700 173.243 174.900 0.073 0.000 1.320 185 G CA -0.538 44.565 45.100 0.005 0.000 0.995 185 G HN 0.500 nan 8.290 nan 0.000 0.580 186 Y N -1.061 119.230 120.300 -0.016 0.000 2.485 186 Y HA 0.877 5.428 4.550 0.001 0.000 0.345 186 Y C 0.269 176.145 175.900 -0.040 0.000 0.998 186 Y CA -0.966 57.125 58.100 -0.016 0.000 1.059 186 Y CB 1.482 39.938 38.460 -0.006 0.000 1.234 186 Y HN 1.476 nan 8.280 nan 0.000 0.461 187 A N 4.561 127.414 122.820 0.056 0.000 2.388 187 A HA 0.520 4.840 4.320 0.001 0.000 0.257 187 A C -0.362 177.215 177.584 -0.012 0.000 1.095 187 A CA -0.737 51.277 52.037 -0.039 0.000 0.791 187 A CB 0.099 19.103 19.000 0.007 0.000 1.029 187 A HN 0.875 nan 8.150 nan 0.000 0.489 188 L N 1.703 122.843 121.223 -0.139 0.000 2.439 188 L HA 0.353 4.694 4.340 0.001 0.000 0.261 188 L C 1.070 177.881 176.870 -0.098 0.000 1.153 188 L CA -0.347 54.389 54.840 -0.173 0.000 0.808 188 L CB 1.382 43.246 42.059 -0.325 0.000 1.126 188 L HN 0.945 nan 8.230 nan 0.000 0.460 189 S N 0.419 116.060 115.700 -0.099 0.000 2.713 189 S HA 0.322 4.792 4.470 0.001 0.000 0.283 189 S C 0.768 175.295 174.600 -0.121 0.000 1.161 189 S CA -0.891 57.263 58.200 -0.077 0.000 0.999 189 S CB 1.439 64.613 63.200 -0.043 0.000 1.039 189 S HN 0.728 nan 8.310 nan 0.000 0.548 190 R N 0.557 120.990 120.500 -0.112 0.000 2.189 190 R HA -0.035 4.306 4.340 0.001 0.000 0.223 190 R C 1.189 177.384 176.300 -0.176 0.000 1.092 190 R CA 1.233 57.240 56.100 -0.155 0.000 0.989 190 R CB -0.522 29.707 30.300 -0.118 0.000 0.876 190 R HN 0.759 nan 8.270 nan 0.000 0.457 191 E N 1.322 121.456 120.200 -0.111 0.000 2.216 191 E HA -0.118 4.232 4.350 0.001 0.000 0.192 191 E C 0.728 177.285 176.600 -0.071 0.000 0.988 191 E CA 0.661 57.011 56.400 -0.084 0.000 0.834 191 E CB -0.147 29.534 29.700 -0.031 0.000 0.772 191 E HN 0.381 nan 8.360 nan 0.000 0.479 192 D N 2.047 122.386 120.400 -0.102 0.000 2.097 192 D HA -0.101 4.540 4.640 0.001 0.000 0.197 192 D C 2.310 178.563 176.300 -0.078 0.000 0.984 192 D CA 1.317 55.241 54.000 -0.127 0.000 0.826 192 D CB -0.301 40.232 40.800 -0.445 0.000 0.973 192 D HN 0.422 nan 8.370 nan 0.000 0.460 193 I N -1.001 119.458 120.570 -0.184 0.000 2.567 193 I HA -0.141 4.030 4.170 0.001 0.000 0.257 193 I C 2.047 177.960 176.117 -0.340 0.000 1.184 193 I CA 1.304 62.513 61.300 -0.152 0.000 1.451 193 I CB -0.143 37.761 38.000 -0.160 0.000 1.089 193 I HN -0.152 nan 8.210 nan 0.000 0.441 194 K N 1.517 121.622 120.400 -0.493 0.000 2.314 194 K HA -0.050 4.270 4.320 0.001 0.000 0.198 194 K C 0.785 177.380 176.600 -0.009 0.000 1.045 194 K CA -0.015 55.989 56.287 -0.473 0.000 0.988 194 K CB 0.044 32.321 32.500 -0.372 0.000 0.783 194 K HN 0.294 nan 8.250 nan 0.000 0.484 195 N N 1.902 120.646 118.700 0.074 0.000 2.438 195 N HA 0.006 4.746 4.740 0.001 0.000 0.267 195 N C -2.154 173.472 175.510 0.195 0.000 1.222 195 N CA -1.599 51.548 53.050 0.161 0.000 0.930 195 N CB 1.362 40.014 38.487 0.274 0.000 1.083 195 N HN -0.062 nan 8.380 nan 0.000 0.476 196 P HA -0.232 nan 4.420 nan 0.000 0.217 196 P C 1.077 178.469 177.300 0.152 0.000 1.148 196 P CA 1.383 64.552 63.100 0.115 0.000 0.834 196 P CB 0.190 31.790 31.700 -0.166 0.000 0.783 197 K N -0.860 119.538 120.400 -0.004 0.000 2.057 197 K HA -0.147 4.173 4.320 0.001 0.000 0.207 197 K C 1.602 178.038 176.600 -0.274 0.000 1.049 197 K CA 1.557 57.725 56.287 -0.197 0.000 0.931 197 K CB -0.503 31.780 32.500 -0.362 0.000 0.714 197 K HN 0.113 nan 8.250 nan 0.000 0.440 198 F N 1.169 121.168 119.950 0.083 0.000 2.473 198 F HA 0.071 4.598 4.527 0.001 0.000 0.294 198 F C 2.529 178.426 175.800 0.162 0.000 1.103 198 F CA 0.223 58.276 58.000 0.089 0.000 1.442 198 F CB -0.059 38.988 39.000 0.078 0.000 1.097 198 F HN 0.024 nan 8.300 nan 0.000 0.547 199 Q N 0.931 120.981 119.800 0.416 0.000 2.045 199 Q HA -0.314 4.027 4.340 0.001 0.000 0.206 199 Q C 2.233 178.373 176.000 0.233 0.000 0.991 199 Q CA 2.095 58.221 55.803 0.540 0.000 0.851 199 Q CB -0.365 28.775 28.738 0.670 0.000 0.911 199 Q HN 0.373 nan 8.270 nan 0.000 0.418 200 K N 0.768 121.205 120.400 0.063 0.000 2.034 200 K HA -0.213 4.107 4.320 0.001 0.000 0.214 200 K C 1.972 178.467 176.600 -0.175 0.000 1.051 200 K CA 1.543 57.667 56.287 -0.272 0.000 0.931 200 K CB -0.179 32.019 32.500 -0.503 0.000 0.715 200 K HN 0.173 nan 8.250 nan 0.000 0.446 201 L N 0.394 121.581 121.223 -0.060 0.000 2.179 201 L HA -0.076 4.264 4.340 0.001 0.000 0.208 201 L C 2.350 179.228 176.870 0.012 0.000 1.096 201 L CA 0.566 55.386 54.840 -0.033 0.000 0.779 201 L CB -0.192 41.878 42.059 0.018 0.000 0.922 201 L HN 0.237 nan 8.230 nan 0.000 0.443 202 I N -0.095 120.550 120.570 0.125 0.000 2.233 202 I HA -0.213 3.958 4.170 0.001 0.000 0.243 202 I C 2.807 178.995 176.117 0.118 0.000 1.093 202 I CA 1.074 62.518 61.300 0.240 0.000 1.380 202 I CB -0.406 37.827 38.000 0.388 0.000 1.067 202 I HN 0.151 nan 8.210 nan 0.000 0.413 203 A N 0.923 123.604 122.820 -0.232 0.000 1.902 203 A HA -0.222 4.098 4.320 0.001 0.000 0.217 203 A C 2.321 179.810 177.584 -0.158 0.000 1.181 203 A CA 1.656 53.365 52.037 -0.546 0.000 0.623 203 A CB -0.466 17.889 19.000 -1.075 0.000 0.818 203 A HN 0.297 nan 8.150 nan 0.000 0.443 204 K N -0.738 119.572 120.400 -0.149 0.000 2.057 204 K HA -0.180 4.141 4.320 0.001 0.000 0.207 204 K C 2.004 178.531 176.600 -0.122 0.000 1.049 204 K CA 1.570 57.779 56.287 -0.129 0.000 0.931 204 K CB -0.244 32.184 32.500 -0.121 0.000 0.714 204 K HN 0.465 nan 8.250 nan 0.000 0.440 205 N N 0.988 119.613 118.700 -0.125 0.000 2.244 205 N HA -0.132 4.609 4.740 0.001 0.000 0.183 205 N C 1.564 177.042 175.510 -0.054 0.000 1.016 205 N CA 0.588 53.515 53.050 -0.206 0.000 0.866 205 N CB -0.004 38.168 38.487 -0.524 0.000 0.980 205 N HN 0.021 nan 8.380 nan 0.000 0.430 206 L N 0.608 121.904 121.223 0.121 0.000 2.109 206 L HA 0.018 4.359 4.340 0.001 0.000 0.207 206 L C 2.047 178.857 176.870 -0.100 0.000 1.086 206 L CA 1.542 56.450 54.840 0.113 0.000 0.760 206 L CB -0.455 41.663 42.059 0.098 0.000 0.910 206 L HN -0.008 nan 8.230 nan 0.000 0.437 207 K N -0.215 120.138 120.400 -0.078 0.000 2.025 207 K HA -0.102 4.218 4.320 0.001 0.000 0.207 207 K C 2.124 178.659 176.600 -0.108 0.000 1.049 207 K CA 1.637 57.781 56.287 -0.239 0.000 0.933 207 K CB -0.532 31.694 32.500 -0.457 0.000 0.714 207 K HN 0.367 nan 8.250 nan 0.000 0.438 208 L N 0.850 122.015 121.223 -0.096 0.000 2.051 208 L HA -0.262 4.078 4.340 0.001 0.000 0.214 208 L C 2.553 179.418 176.870 -0.009 0.000 1.076 208 L CA 1.028 55.830 54.840 -0.064 0.000 0.758 208 L CB -0.615 41.391 42.059 -0.089 0.000 0.890 208 L HN 0.165 nan 8.230 nan 0.000 0.433 209 L N -0.843 120.400 121.223 0.033 0.000 2.046 209 L HA -0.224 4.116 4.340 0.001 0.000 0.208 209 L C 2.375 179.369 176.870 0.207 0.000 1.077 209 L CA 1.864 56.776 54.840 0.120 0.000 0.747 209 L CB -0.695 41.495 42.059 0.219 0.000 0.896 209 L HN 0.240 nan 8.230 nan 0.000 0.432 210 H N -1.349 117.779 119.070 0.097 0.000 2.524 210 H HA -0.064 4.492 4.556 0.001 0.000 0.282 210 H C 0.978 176.322 175.328 0.026 0.000 1.016 210 H CA 0.523 56.623 56.048 0.085 0.000 1.270 210 H CB 0.252 30.120 29.762 0.176 0.000 1.394 210 H HN 0.432 nan 8.280 nan 0.000 0.568 211 D N 0.685 121.147 120.400 0.103 0.000 2.323 211 D HA 0.008 4.648 4.640 0.001 0.000 0.209 211 D C 0.537 176.849 176.300 0.019 0.000 0.973 211 D CA 0.274 54.292 54.000 0.030 0.000 0.874 211 D CB 0.164 40.953 40.800 -0.018 0.000 0.930 211 D HN 0.329 nan 8.370 nan 0.000 0.521 212 I N 2.042 122.627 120.570 0.026 0.000 2.752 212 I HA -0.101 4.070 4.170 0.001 0.000 0.286 212 I C 0.816 176.935 176.117 0.002 0.000 1.180 212 I CA 0.345 61.646 61.300 0.001 0.000 1.404 212 I CB 0.238 38.232 38.000 -0.011 0.000 1.389 212 I HN -0.354 nan 8.210 nan 0.000 0.549 213 K N 7.186 127.585 120.400 -0.001 0.000 2.350 213 K HA 0.369 4.690 4.320 0.001 0.000 0.279 213 K C -0.670 175.937 176.600 0.012 0.000 1.027 213 K CA -0.200 56.095 56.287 0.013 0.000 0.969 213 K CB 0.737 33.244 32.500 0.012 0.000 0.954 213 K HN 0.502 nan 8.250 nan 0.000 0.474 214 L N 4.446 125.698 121.223 0.050 0.000 2.324 214 L HA 0.230 4.570 4.340 0.001 0.000 0.274 214 L C -0.240 176.740 176.870 0.183 0.000 1.012 214 L CA -0.843 54.041 54.840 0.073 0.000 0.859 214 L CB 0.814 42.901 42.059 0.046 0.000 1.224 214 L HN 0.744 nan 8.230 nan 0.000 0.429 215 N N 0.605 119.379 118.700 0.123 0.000 2.447 215 N HA 0.208 4.948 4.740 0.001 0.000 0.271 215 N C 0.522 176.132 175.510 0.166 0.000 1.226 215 N CA -0.823 52.298 53.050 0.118 0.000 0.980 215 N CB 1.003 39.526 38.487 0.060 0.000 1.206 215 N HN 0.224 nan 8.380 nan 0.000 0.558 216 E N -0.211 120.054 120.200 0.108 0.000 2.204 216 E HA -0.127 4.224 4.350 0.001 0.000 0.195 216 E C 0.583 177.249 176.600 0.110 0.000 0.990 216 E CA 0.940 57.398 56.400 0.098 0.000 0.821 216 E CB -0.338 29.387 29.700 0.043 0.000 0.750 216 E HN 0.544 nan 8.360 nan 0.000 0.477 217 N N 0.522 119.272 118.700 0.084 0.000 2.251 217 N HA -0.070 4.671 4.740 0.001 0.000 0.181 217 N C 2.053 177.603 175.510 0.067 0.000 1.019 217 N CA 0.712 53.801 53.050 0.064 0.000 0.862 217 N CB -0.202 38.308 38.487 0.039 0.000 0.992 217 N HN 0.195 nan 8.380 nan 0.000 0.429 218 L N -1.710 119.547 121.223 0.058 0.000 2.217 218 L HA 0.100 4.440 4.340 0.001 0.000 0.211 218 L C 2.073 178.963 176.870 0.032 0.000 1.107 218 L CA 1.317 56.168 54.840 0.017 0.000 0.783 218 L CB -1.259 40.781 42.059 -0.032 0.000 0.919 218 L HN 0.017 nan 8.230 nan 0.000 0.442 219 Y N 0.621 120.930 120.300 0.015 0.000 2.242 219 Y HA -0.212 4.338 4.550 0.001 0.000 0.291 219 Y C 2.734 178.679 175.900 0.075 0.000 1.137 219 Y CA 1.510 59.635 58.100 0.042 0.000 1.181 219 Y CB 0.180 38.668 38.460 0.046 0.000 0.989 219 Y HN 0.214 nan 8.280 nan 0.000 0.527 220 K N 0.698 121.242 120.400 0.240 0.000 2.103 220 K HA -0.152 4.168 4.320 0.001 0.000 0.204 220 K C 1.700 178.374 176.600 0.123 0.000 1.052 220 K CA 1.692 58.073 56.287 0.157 0.000 0.945 220 K CB -0.109 32.449 32.500 0.096 0.000 0.722 220 K HN 0.302 nan 8.250 nan 0.000 0.443 221 E N 0.029 120.283 120.200 0.090 0.000 2.153 221 E HA -0.166 4.185 4.350 0.001 0.000 0.194 221 E C 1.833 178.475 176.600 0.070 0.000 0.988 221 E CA 1.262 57.694 56.400 0.054 0.000 0.811 221 E CB -0.054 29.657 29.700 0.018 0.000 0.746 221 E HN 0.300 nan 8.360 nan 0.000 0.466 222 L N 0.367 121.649 121.223 0.099 0.000 2.131 222 L HA -0.134 4.207 4.340 0.001 0.000 0.206 222 L C 2.470 179.566 176.870 0.376 0.000 1.087 222 L CA 0.802 55.738 54.840 0.160 0.000 0.767 222 L CB -0.278 41.770 42.059 -0.017 0.000 0.917 222 L HN 0.074 nan 8.230 nan 0.000 0.441 223 Q N -0.047 119.961 119.800 0.346 0.000 2.084 223 Q HA -0.187 4.154 4.340 0.001 0.000 0.202 223 Q C 2.367 178.419 176.000 0.086 0.000 0.978 223 Q CA 2.057 57.982 55.803 0.204 0.000 0.844 223 Q CB -0.235 28.606 28.738 0.172 0.000 0.898 223 Q HN 0.577 nan 8.270 nan 0.000 0.426 224 V N -1.437 118.527 119.914 0.084 0.000 2.626 224 V HA -0.171 3.950 4.120 0.001 0.000 0.252 224 V C 2.191 178.308 176.094 0.038 0.000 1.067 224 V CA 1.859 64.186 62.300 0.045 0.000 1.081 224 V CB -1.375 30.470 31.823 0.037 0.000 0.686 224 V HN 0.431 nan 8.190 nan 0.000 0.468 225 T N -2.599 111.991 114.554 0.059 0.000 2.942 225 T HA -0.095 4.255 4.350 0.001 0.000 0.265 225 T C 1.889 176.617 174.700 0.047 0.000 1.062 225 T CA 1.491 63.619 62.100 0.047 0.000 1.139 225 T CB -0.267 68.628 68.868 0.045 0.000 0.883 225 T HN 0.568 nan 8.240 nan 0.000 0.468 226 Q N 0.375 120.211 119.800 0.060 0.000 2.350 226 Q HA 0.225 4.565 4.340 0.001 0.000 0.225 226 Q C -0.392 175.575 176.000 -0.055 0.000 0.878 226 Q CA -0.045 55.769 55.803 0.018 0.000 0.935 226 Q CB 0.406 29.179 28.738 0.058 0.000 1.099 226 Q HN 0.507 nan 8.270 nan 0.000 0.527 227 K N -0.058 120.306 120.400 -0.060 0.000 3.244 227 K HA -0.079 4.241 4.320 0.001 0.000 0.269 227 K C -1.386 175.137 176.600 -0.127 0.000 1.150 227 K CA 0.034 56.280 56.287 -0.069 0.000 0.799 227 K CB -1.876 30.597 32.500 -0.045 0.000 1.286 227 K HN -0.044 nan 8.250 nan 0.000 0.488 228 V N 1.133 120.935 119.914 -0.187 0.000 2.347 228 V HA 0.445 4.565 4.120 0.001 0.000 0.280 228 V C -1.616 174.415 176.094 -0.105 0.000 1.021 228 V CA -1.497 60.664 62.300 -0.232 0.000 0.847 228 V CB 0.966 32.454 31.823 -0.558 0.000 0.990 228 V HN 0.133 nan 8.190 nan 0.000 0.444 229 P HA 0.771 nan 4.420 nan 0.000 0.294 229 P C -0.007 177.273 177.300 -0.034 0.000 1.294 229 P CA 0.051 63.125 63.100 -0.043 0.000 0.827 229 P CB 1.953 33.627 31.700 -0.043 0.000 0.992 230 G N 0.185 108.968 108.800 -0.028 0.000 2.340 230 G HA2 0.174 4.134 3.960 0.001 0.000 0.527 230 G HA3 0.174 4.134 3.960 0.001 0.000 0.527 230 G C -1.334 173.540 174.900 -0.044 0.000 1.381 230 G CA -0.662 44.421 45.100 -0.028 0.000 1.001 230 G HN 0.650 nan 8.290 nan 0.000 0.626 231 T N -0.656 113.861 114.554 -0.060 0.000 2.744 231 T HA 0.661 5.011 4.350 0.001 0.000 0.291 231 T C 1.075 175.668 174.700 -0.179 0.000 0.957 231 T CA 1.770 63.806 62.100 -0.108 0.000 1.002 231 T CB 0.201 69.021 68.868 -0.081 0.000 0.919 231 T HN 2.570 nan 8.240 nan 0.000 0.468 232 R N 2.397 122.663 120.500 -0.389 0.000 3.158 232 R HA -0.109 4.231 4.340 0.001 0.000 0.244 232 R C -2.642 173.498 176.300 -0.266 0.000 0.900 232 R CA 1.233 56.900 56.100 -0.722 0.000 0.618 232 R CB -2.987 27.016 30.300 -0.495 0.000 1.061 232 R HN 0.753 nan 8.270 nan 0.000 0.471 233 P HA 0.549 nan 4.420 nan 0.000 0.285 233 P C -0.369 177.148 177.300 0.362 0.000 1.285 233 P CA -0.475 62.717 63.100 0.154 0.000 0.854 233 P CB 1.885 33.648 31.700 0.104 0.000 1.180 234 S N -0.258 115.624 115.700 0.305 0.000 2.580 234 S HA 0.266 4.736 4.470 0.001 0.000 0.274 234 S C 0.430 175.216 174.600 0.311 0.000 1.329 234 S CA -0.457 57.921 58.200 0.296 0.000 1.036 234 S CB -0.582 62.751 63.200 0.222 0.000 0.919 234 S HN 0.337 nan 8.310 nan 0.000 0.515 235 F N 2.813 122.732 119.950 -0.052 0.000 2.727 235 F HA 0.167 4.695 4.527 0.001 0.000 0.302 235 F C 1.516 177.179 175.800 -0.229 0.000 1.097 235 F CA -0.342 57.606 58.000 -0.087 0.000 1.330 235 F CB 0.305 39.253 39.000 -0.085 0.000 1.084 235 F HN 0.514 nan 8.300 nan 0.000 0.578 236 L N -0.357 120.697 121.223 -0.281 0.000 2.044 236 L HA -0.088 4.253 4.340 0.001 0.000 0.205 236 L C 1.627 178.110 176.870 -0.645 0.000 1.075 236 L CA 2.145 56.566 54.840 -0.699 0.000 0.747 236 L CB -0.837 40.515 42.059 -1.177 0.000 0.903 236 L HN 0.182 nan 8.230 nan 0.000 0.435 237 W N -0.557 120.703 121.300 -0.066 0.000 2.476 237 W HA -0.008 4.653 4.660 0.001 0.000 0.281 237 W C 2.433 179.015 176.519 0.106 0.000 1.230 237 W CA 0.736 58.080 57.345 -0.001 0.000 1.287 237 W CB -0.791 28.732 29.460 0.105 0.000 1.108 237 W HN 0.286 nan 8.180 nan 0.000 0.567 238 N N 0.028 118.845 118.700 0.196 0.000 2.149 238 N HA -0.160 4.581 4.740 0.001 0.000 0.188 238 N C 1.512 177.022 175.510 -0.001 0.000 1.019 238 N CA 2.307 55.416 53.050 0.098 0.000 0.857 238 N CB -0.245 38.198 38.487 -0.073 0.000 0.997 238 N HN -0.084 nan 8.380 nan 0.000 0.426 239 T N 0.140 114.597 114.554 -0.162 0.000 2.809 239 T HA 0.080 4.430 4.350 0.001 0.000 0.260 239 T C 1.879 176.217 174.700 -0.603 0.000 1.039 239 T CA 0.841 62.699 62.100 -0.402 0.000 1.141 239 T CB -0.138 68.470 68.868 -0.433 0.000 0.869 239 T HN 0.184 nan 8.240 nan 0.000 0.437 240 I N -0.428 119.899 120.570 -0.406 0.000 2.163 240 I HA -0.199 3.972 4.170 0.001 0.000 0.243 240 I C 2.212 178.212 176.117 -0.194 0.000 1.085 240 I CA 1.565 62.675 61.300 -0.318 0.000 1.347 240 I CB -0.388 37.419 38.000 -0.323 0.000 1.044 240 I HN 0.340 nan 8.210 nan 0.000 0.408 241 W N 1.227 122.531 121.300 0.006 0.000 2.402 241 W HA -0.146 4.514 4.660 0.000 0.000 0.286 241 W C 2.676 179.308 176.519 0.188 0.000 1.221 241 W CA 0.690 58.078 57.345 0.071 0.000 1.257 241 W CB -0.130 29.393 29.460 0.106 0.000 1.120 241 W HN 0.033 nan 8.180 nan 0.000 0.551 242 K N -0.216 120.347 120.400 0.272 0.000 2.057 242 K HA -0.214 4.107 4.320 0.001 0.000 0.207 242 K C 1.768 178.557 176.600 0.315 0.000 1.049 242 K CA 1.451 57.882 56.287 0.240 0.000 0.931 242 K CB -0.568 31.955 32.500 0.038 0.000 0.714 242 K HN 0.116 nan 8.250 nan 0.000 0.440 243 Y N 0.058 120.480 120.300 0.203 0.000 2.181 243 Y HA -0.192 4.359 4.550 0.001 0.000 0.288 243 Y C 2.169 178.189 175.900 0.200 0.000 1.146 243 Y CA 0.762 58.963 58.100 0.168 0.000 1.164 243 Y CB -1.084 37.446 38.460 0.117 0.000 0.982 243 Y HN 0.112 nan 8.280 nan 0.000 0.515 244 F N 0.388 120.466 119.950 0.213 0.000 2.069 244 F HA -0.269 4.259 4.527 0.000 0.000 0.298 244 F C 2.596 178.535 175.800 0.232 0.000 1.113 244 F CA 1.985 60.072 58.000 0.145 0.000 1.214 244 F CB -0.451 38.526 39.000 -0.039 0.000 0.978 244 F HN 0.087 nan 8.300 nan 0.000 0.474 245 H N 0.231 119.600 119.070 0.498 0.000 2.389 245 H HA -0.064 4.492 4.556 0.001 0.000 0.299 245 H C 2.435 177.856 175.328 0.155 0.000 1.081 245 H CA 1.793 58.032 56.048 0.317 0.000 1.345 245 H CB -0.618 29.341 29.762 0.329 0.000 1.393 245 H HN 0.348 nan 8.280 nan 0.000 0.520 246 L N 0.137 121.528 121.223 0.281 0.000 2.141 246 L HA -0.124 4.217 4.340 0.001 0.000 0.209 246 L C 2.471 179.402 176.870 0.102 0.000 1.094 246 L CA 0.580 55.530 54.840 0.183 0.000 0.763 246 L CB -0.201 41.982 42.059 0.206 0.000 0.908 246 L HN 0.155 nan 8.230 nan 0.000 0.437 247 L N -0.826 120.456 121.223 0.098 0.000 2.162 247 L HA -0.131 4.209 4.340 0.001 0.000 0.205 247 L C 2.321 179.073 176.870 -0.196 0.000 1.086 247 L CA 0.935 55.797 54.840 0.036 0.000 0.778 247 L CB -0.459 41.724 42.059 0.208 0.000 0.928 247 L HN 0.379 nan 8.230 nan 0.000 0.446 248 N N 0.286 118.833 118.700 -0.254 0.000 2.188 248 N HA -0.190 4.550 4.740 0.001 0.000 0.184 248 N C 1.519 176.864 175.510 -0.275 0.000 1.018 248 N CA 0.992 53.723 53.050 -0.531 0.000 0.858 248 N CB 0.244 38.503 38.487 -0.381 0.000 0.989 248 N HN 0.395 nan 8.380 nan 0.000 0.426 249 E N 0.098 120.241 120.200 -0.096 0.000 2.274 249 E HA -0.154 4.197 4.350 0.001 0.000 0.194 249 E C 1.424 177.982 176.600 -0.070 0.000 0.996 249 E CA 0.541 56.914 56.400 -0.045 0.000 0.840 249 E CB 0.165 29.881 29.700 0.026 0.000 0.772 249 E HN 0.323 nan 8.360 nan 0.000 0.491 250 E N 1.141 121.284 120.200 -0.094 0.000 2.122 250 E HA -0.072 4.278 4.350 0.001 0.000 0.190 250 E C 1.917 178.425 176.600 -0.153 0.000 0.977 250 E CA 0.683 57.026 56.400 -0.094 0.000 0.820 250 E CB 0.093 29.750 29.700 -0.071 0.000 0.770 250 E HN -0.022 nan 8.360 nan 0.000 0.462 251 R N 0.424 120.763 120.500 -0.268 0.000 2.152 251 R HA -0.103 4.238 4.340 0.001 0.000 0.232 251 R C 1.784 177.951 176.300 -0.221 0.000 1.117 251 R CA 1.286 57.191 56.100 -0.325 0.000 0.981 251 R CB 0.027 29.922 30.300 -0.675 0.000 0.870 251 R HN 0.081 nan 8.270 nan 0.000 0.451 252 K N 0.438 120.729 120.400 -0.182 0.000 2.155 252 K HA -0.050 4.270 4.320 0.001 0.000 0.203 252 K C 0.311 176.868 176.600 -0.072 0.000 1.052 252 K CA 0.795 57.015 56.287 -0.112 0.000 0.948 252 K CB 0.073 32.524 32.500 -0.082 0.000 0.728 252 K HN 0.096 nan 8.250 nan 0.000 0.448 253 K N 1.634 121.994 120.400 -0.067 0.000 2.448 253 K HA 0.031 4.351 4.320 0.001 0.000 0.278 253 K C 0.043 176.619 176.600 -0.040 0.000 1.009 253 K CA -0.098 56.163 56.287 -0.043 0.000 0.995 253 K CB 0.652 33.129 32.500 -0.038 0.000 0.917 253 K HN 0.098 nan 8.250 nan 0.000 0.481 254 I N 4.182 124.738 120.570 -0.023 0.000 2.416 254 I HA 0.068 4.239 4.170 0.001 0.000 0.288 254 I C 0.003 176.115 176.117 -0.008 0.000 1.051 254 I CA -0.367 60.925 61.300 -0.013 0.000 1.375 254 I CB 0.061 38.060 38.000 -0.003 0.000 1.407 254 I HN 0.769 nan 8.210 nan 0.000 0.516 255 C N 3.841 123.138 119.300 -0.005 0.000 3.028 255 C HA 0.821 5.281 4.460 0.001 0.000 0.338 255 C C 0.621 175.625 174.990 0.023 0.000 1.366 255 C CA -0.440 58.577 59.018 -0.001 0.000 1.610 255 C CB 0.780 28.507 27.740 -0.021 0.000 2.063 255 C HN 0.838 nan 8.230 nan 0.000 0.463 256 S N -0.158 115.561 115.700 0.031 0.000 2.589 256 S HA 0.237 4.708 4.470 0.001 0.000 0.265 256 S C 0.351 175.010 174.600 0.099 0.000 1.342 256 S CA -0.097 58.146 58.200 0.071 0.000 1.005 256 S CB -0.007 63.231 63.200 0.063 0.000 0.909 256 S HN 0.991 nan 8.310 nan 0.000 0.555 257 F N 1.617 121.564 119.950 -0.005 0.000 2.250 257 F HA -0.072 4.456 4.527 0.001 0.000 0.301 257 F C 1.495 177.292 175.800 -0.004 0.000 1.077 257 F CA 1.827 59.824 58.000 -0.004 0.000 1.348 257 F CB -0.105 38.894 39.000 -0.002 0.000 1.040 257 F HN 0.782 nan 8.300 nan 0.000 0.509 258 D N -0.513 119.892 120.400 0.007 0.000 2.538 258 D HA 0.247 4.887 4.640 0.001 0.000 0.231 258 D C 0.354 176.620 176.300 -0.056 0.000 1.229 258 D CA 0.043 54.002 54.000 -0.069 0.000 0.828 258 D CB -0.710 40.110 40.800 0.035 0.000 1.035 258 D HN 0.171 nan 8.370 nan 0.000 0.495 259 A N 0.864 123.650 122.820 -0.057 0.000 2.351 259 A HA 0.232 4.552 4.320 0.001 0.000 0.257 259 A C 1.271 178.814 177.584 -0.068 0.000 1.087 259 A CA -0.461 51.547 52.037 -0.049 0.000 0.798 259 A CB 0.739 19.715 19.000 -0.039 0.000 1.033 259 A HN 0.057 nan 8.150 nan 0.000 0.488 260 K N 1.353 121.716 120.400 -0.062 0.000 2.152 260 K HA -0.169 4.152 4.320 0.001 0.000 0.206 260 K C 1.758 178.313 176.600 -0.076 0.000 1.048 260 K CA 1.569 57.816 56.287 -0.068 0.000 0.933 260 K CB -0.212 32.241 32.500 -0.078 0.000 0.721 260 K HN 0.747 nan 8.250 nan 0.000 0.447 261 A N 1.443 124.213 122.820 -0.085 0.000 2.239 261 A HA -0.063 4.258 4.320 0.001 0.000 0.209 261 A C 1.371 178.911 177.584 -0.073 0.000 1.171 261 A CA 0.695 52.682 52.037 -0.084 0.000 0.768 261 A CB -0.269 18.675 19.000 -0.094 0.000 0.790 261 A HN 0.226 nan 8.150 nan 0.000 0.478 262 N N -0.038 118.616 118.700 -0.076 0.000 2.381 262 N HA -0.119 4.622 4.740 0.001 0.000 0.182 262 N C 1.412 176.889 175.510 -0.056 0.000 1.025 262 N CA 0.953 53.954 53.050 -0.081 0.000 0.888 262 N CB -0.238 38.169 38.487 -0.132 0.000 0.965 262 N HN 0.510 nan 8.380 nan 0.000 0.438 263 I N 1.445 121.992 120.570 -0.039 0.000 2.454 263 I HA -0.130 4.040 4.170 0.001 0.000 0.254 263 I C 1.858 177.996 176.117 0.035 0.000 1.156 263 I CA 0.824 62.122 61.300 -0.003 0.000 1.433 263 I CB -0.208 37.796 38.000 0.007 0.000 1.082 263 I HN 0.054 nan 8.210 nan 0.000 0.432 264 L N -0.363 120.875 121.223 0.025 0.000 2.156 264 L HA -0.154 4.186 4.340 0.001 0.000 0.208 264 L C 2.332 179.239 176.870 0.061 0.000 1.095 264 L CA 1.047 55.932 54.840 0.076 0.000 0.770 264 L CB -0.764 41.273 42.059 -0.037 0.000 0.914 264 L HN 0.149 nan 8.230 nan 0.000 0.439 265 K N 0.060 120.457 120.400 -0.004 0.000 2.217 265 K HA -0.132 4.189 4.320 0.001 0.000 0.202 265 K C 1.934 178.558 176.600 0.040 0.000 1.051 265 K CA 0.776 57.058 56.287 -0.008 0.000 0.952 265 K CB -0.095 32.388 32.500 -0.029 0.000 0.736 265 K HN 0.089 nan 8.250 nan 0.000 0.453 266 L N 1.392 122.642 121.223 0.046 0.000 2.376 266 L HA 0.038 4.378 4.340 0.001 0.000 0.219 266 L C 0.432 177.354 176.870 0.087 0.000 1.133 266 L CA 1.067 55.939 54.840 0.053 0.000 0.816 266 L CB 0.007 42.086 42.059 0.034 0.000 0.933 266 L HN 0.004 nan 8.230 nan 0.000 0.449 267 I N 0.239 120.896 120.570 0.146 0.000 2.342 267 I HA 0.106 4.277 4.170 0.001 0.000 0.291 267 I C -0.099 176.169 176.117 0.253 0.000 1.010 267 I CA -0.442 60.965 61.300 0.178 0.000 1.308 267 I CB 0.692 38.812 38.000 0.200 0.000 1.400 267 I HN -0.094 nan 8.210 nan 0.000 0.488 268 D N 5.730 126.229 120.400 0.164 0.000 2.359 268 D HA 0.067 4.708 4.640 0.001 0.000 0.250 268 D C 0.639 177.077 176.300 0.230 0.000 1.264 268 D CA 0.168 54.279 54.000 0.185 0.000 0.911 268 D CB 0.425 41.293 40.800 0.113 0.000 1.056 268 D HN 0.285 nan 8.370 nan 0.000 0.499 269 F N 1.624 121.627 119.950 0.088 0.000 2.407 269 F HA -0.074 4.453 4.527 0.000 0.000 0.299 269 F C 2.004 177.972 175.800 0.281 0.000 1.097 269 F CA 0.563 58.659 58.000 0.160 0.000 1.422 269 F CB 0.197 39.213 39.000 0.028 0.000 1.067 269 F HN 0.378 nan 8.300 nan 0.000 0.539 270 D N -0.341 120.258 120.400 0.332 0.000 2.117 270 D HA -0.118 4.522 4.640 0.001 0.000 0.198 270 D C 2.471 178.867 176.300 0.160 0.000 0.982 270 D CA 1.261 55.405 54.000 0.240 0.000 0.828 270 D CB -0.324 40.576 40.800 0.168 0.000 0.967 270 D HN 0.134 nan 8.370 nan 0.000 0.464 271 V N 1.312 121.300 119.914 0.123 0.000 2.548 271 V HA -0.166 3.955 4.120 0.001 0.000 0.249 271 V C 2.379 178.494 176.094 0.035 0.000 1.055 271 V CA 0.717 63.056 62.300 0.066 0.000 1.065 271 V CB -0.275 31.578 31.823 0.050 0.000 0.681 271 V HN 0.094 nan 8.190 nan 0.000 0.462 272 L N 0.465 121.714 121.223 0.043 0.000 2.027 272 L HA -0.096 4.244 4.340 0.001 0.000 0.206 272 L C 2.547 179.388 176.870 -0.049 0.000 1.074 272 L CA 1.977 56.806 54.840 -0.019 0.000 0.745 272 L CB -0.748 41.233 42.059 -0.131 0.000 0.898 272 L HN 0.170 nan 8.230 nan 0.000 0.433 273 R N -0.549 119.973 120.500 0.036 0.000 2.103 273 R HA -0.207 4.134 4.340 0.001 0.000 0.242 273 R C 1.847 178.132 176.300 -0.025 0.000 1.142 273 R CA 2.054 58.068 56.100 -0.144 0.000 0.960 273 R CB -0.311 30.029 30.300 0.066 0.000 0.858 273 R HN 0.437 nan 8.270 nan 0.000 0.439 274 D N -0.569 119.838 120.400 0.013 0.000 2.144 274 D HA -0.077 4.563 4.640 0.001 0.000 0.200 274 D C 1.904 178.187 176.300 -0.027 0.000 0.978 274 D CA 1.214 55.219 54.000 0.008 0.000 0.833 274 D CB -0.134 40.676 40.800 0.018 0.000 0.961 274 D HN 0.124 nan 8.370 nan 0.000 0.470 275 S N -0.101 115.567 115.700 -0.054 0.000 2.387 275 S HA -0.003 4.468 4.470 0.001 0.000 0.226 275 S C 2.114 176.646 174.600 -0.114 0.000 1.026 275 S CA 0.319 58.477 58.200 -0.070 0.000 0.972 275 S CB 0.031 63.192 63.200 -0.066 0.000 0.814 275 S HN 0.247 nan 8.310 nan 0.000 0.477 276 I N 0.889 121.337 120.570 -0.203 0.000 2.252 276 I HA -0.119 4.051 4.170 0.001 0.000 0.245 276 I C 2.146 178.154 176.117 -0.183 0.000 1.102 276 I CA 0.745 61.853 61.300 -0.320 0.000 1.385 276 I CB -0.464 37.055 38.000 -0.802 0.000 1.064 276 I HN 0.123 nan 8.210 nan 0.000 0.414 277 V N 0.857 120.753 119.914 -0.030 0.000 2.287 277 V HA -0.337 3.784 4.120 0.001 0.000 0.248 277 V C 2.515 178.568 176.094 -0.068 0.000 1.053 277 V CA 2.267 64.590 62.300 0.040 0.000 1.027 277 V CB -0.635 31.235 31.823 0.078 0.000 0.646 277 V HN 0.490 nan 8.190 nan 0.000 0.447 278 E N -0.319 119.841 120.200 -0.066 0.000 2.110 278 E HA -0.185 4.165 4.350 0.001 0.000 0.193 278 E C 2.167 178.707 176.600 -0.100 0.000 0.988 278 E CA 1.558 57.914 56.400 -0.073 0.000 0.804 278 E CB 0.032 29.701 29.700 -0.050 0.000 0.745 278 E HN 0.446 nan 8.360 nan 0.000 0.458 279 V N 0.859 120.710 119.914 -0.104 0.000 2.323 279 V HA -0.207 3.913 4.120 0.001 0.000 0.244 279 V C 2.322 178.306 176.094 -0.184 0.000 1.041 279 V CA 2.009 64.252 62.300 -0.095 0.000 1.025 279 V CB -0.517 31.287 31.823 -0.032 0.000 0.656 279 V HN 0.334 nan 8.190 nan 0.000 0.451 280 E N 0.090 120.090 120.200 -0.333 0.000 2.086 280 E HA -0.301 4.050 4.350 0.001 0.000 0.200 280 E C 2.427 178.648 176.600 -0.633 0.000 1.012 280 E CA 1.869 57.719 56.400 -0.917 0.000 0.812 280 E CB -0.265 28.935 29.700 -0.833 0.000 0.743 280 E HN 0.503 nan 8.360 nan 0.000 0.453 281 S N -0.352 115.140 115.700 -0.347 0.000 2.368 281 S HA -0.113 4.357 4.470 0.001 0.000 0.225 281 S C 1.957 176.458 174.600 -0.165 0.000 1.030 281 S CA 1.028 59.094 58.200 -0.223 0.000 0.999 281 S CB -0.192 62.921 63.200 -0.145 0.000 0.844 281 S HN 0.307 nan 8.310 nan 0.000 0.459 282 L N 0.321 121.454 121.223 -0.150 0.000 2.217 282 L HA -0.033 4.307 4.340 0.001 0.000 0.211 282 L C 2.515 179.317 176.870 -0.113 0.000 1.107 282 L CA 0.620 55.399 54.840 -0.101 0.000 0.783 282 L CB -0.364 41.648 42.059 -0.078 0.000 0.919 282 L HN 0.461 nan 8.230 nan 0.000 0.442 283 C N -0.524 118.656 119.300 -0.201 0.000 2.505 283 C HA -0.062 4.398 4.460 0.001 0.000 0.279 283 C C 2.658 177.661 174.990 0.021 0.000 1.316 283 C CA 0.262 59.100 59.018 -0.299 0.000 1.720 283 C CB -0.380 27.036 27.740 -0.539 0.000 2.050 283 C HN 0.396 nan 8.230 nan 0.000 0.493 284 K N 0.987 121.366 120.400 -0.036 0.000 2.283 284 K HA -0.126 4.195 4.320 0.001 0.000 0.202 284 K C 2.069 178.695 176.600 0.044 0.000 1.048 284 K CA 0.936 57.239 56.287 0.027 0.000 0.948 284 K CB -0.180 32.246 32.500 -0.124 0.000 0.742 284 K HN 0.600 nan 8.250 nan 0.000 0.458 285 R N 0.609 121.118 120.500 0.015 0.000 2.307 285 R HA 0.003 4.343 4.340 0.001 0.000 0.199 285 R C 0.870 177.212 176.300 0.070 0.000 1.000 285 R CA 0.813 56.929 56.100 0.027 0.000 1.023 285 R CB 0.162 30.463 30.300 0.002 0.000 0.908 285 R HN 0.024 nan 8.270 nan 0.000 0.473 286 E N 1.078 121.352 120.200 0.123 0.000 2.442 286 E HA -0.010 4.340 4.350 0.001 0.000 0.195 286 E C -0.415 176.281 176.600 0.160 0.000 1.030 286 E CA 0.027 56.526 56.400 0.166 0.000 0.869 286 E CB -0.171 29.689 29.700 0.267 0.000 0.857 286 E HN 0.344 nan 8.360 nan 0.000 0.505 287 N N 1.226 120.017 118.700 0.152 0.000 2.607 287 N HA -0.183 4.557 4.740 0.001 0.000 0.285 287 N C -0.975 174.615 175.510 0.132 0.000 1.151 287 N CA 0.636 53.765 53.050 0.131 0.000 0.749 287 N CB -0.717 37.822 38.487 0.088 0.000 0.923 287 N HN -0.064 nan 8.380 nan 0.000 0.552 288 S N 1.190 116.990 115.700 0.166 0.000 2.457 288 S HA 0.522 4.992 4.470 0.001 0.000 0.289 288 S C -2.357 172.284 174.600 0.069 0.000 1.163 288 S CA -1.682 56.573 58.200 0.092 0.000 1.078 288 S CB 0.806 64.014 63.200 0.014 0.000 0.987 288 S HN 0.100 nan 8.310 nan 0.000 0.482 289 P HA 0.068 nan 4.420 nan 0.000 0.261 289 P C -0.563 176.744 177.300 0.013 0.000 1.183 289 P CA -0.209 62.913 63.100 0.038 0.000 0.761 289 P CB 0.056 31.776 31.700 0.034 0.000 0.785 290 I N 4.580 125.181 120.570 0.051 0.000 2.436 290 I HA 0.094 4.265 4.170 0.001 0.000 0.289 290 I C 0.921 177.055 176.117 0.029 0.000 1.083 290 I CA -0.160 61.175 61.300 0.059 0.000 1.372 290 I CB -0.475 37.616 38.000 0.151 0.000 1.408 290 I HN 0.140 nan 8.210 nan 0.000 0.516 291 V N 5.269 125.144 119.914 -0.065 0.000 3.155 291 V HA 0.577 4.698 4.120 0.001 0.000 0.313 291 V C -0.438 175.593 176.094 -0.105 0.000 1.162 291 V CA -1.280 60.964 62.300 -0.093 0.000 1.048 291 V CB 2.249 33.957 31.823 -0.193 0.000 1.092 291 V HN 0.418 nan 8.190 nan 0.000 0.447 292 L N 2.226 123.418 121.223 -0.052 0.000 2.385 292 L HA 0.510 4.850 4.340 0.001 0.000 0.281 292 L C -0.057 176.871 176.870 0.096 0.000 1.106 292 L CA 0.301 55.120 54.840 -0.036 0.000 0.856 292 L CB -0.618 41.424 42.059 -0.029 0.000 1.186 292 L HN 0.925 nan 8.230 nan 0.000 0.453 293 C N 4.164 123.499 119.300 0.059 0.000 2.364 293 C HA 0.255 4.715 4.460 0.001 0.000 0.356 293 C C 1.877 177.015 174.990 0.247 0.000 1.201 293 C CA -0.592 58.547 59.018 0.201 0.000 2.227 293 C CB 0.986 28.793 27.740 0.112 0.000 2.387 293 C HN 0.885 nan 8.230 nan 0.000 0.546 294 H N -0.051 119.146 119.070 0.211 0.000 2.333 294 H HA -0.072 4.484 4.556 0.001 0.000 0.302 294 H C 1.504 176.922 175.328 0.150 0.000 1.075 294 H CA 2.399 58.552 56.048 0.175 0.000 1.348 294 H CB 0.223 29.985 29.762 0.000 0.000 1.393 294 H HN 0.894 nan 8.280 nan 0.000 0.509 295 C N -0.319 119.172 119.300 0.319 0.000 5.461 295 C HA -0.172 4.288 4.460 0.001 0.000 0.227 295 C C 0.345 175.563 174.990 0.381 0.000 1.350 295 C CA 0.948 60.169 59.018 0.339 0.000 1.285 295 C CB -1.748 26.151 27.740 0.265 0.000 2.111 295 C HN 0.711 nan 8.230 nan 0.000 0.625 296 D N -0.440 120.202 120.400 0.402 0.000 3.100 296 D HA 0.356 4.996 4.640 0.001 0.000 0.350 296 D C -0.375 175.926 176.300 0.002 0.000 1.310 296 D CA -0.282 53.831 54.000 0.189 0.000 0.741 296 D CB -0.049 40.886 40.800 0.225 0.000 1.248 296 D HN 0.264 nan 8.370 nan 0.000 0.527 297 L N 2.254 123.385 121.223 -0.153 0.000 2.727 297 L HA 0.326 4.666 4.340 0.001 0.000 0.237 297 L C -0.520 176.221 176.870 -0.215 0.000 1.370 297 L CA -0.310 54.273 54.840 -0.428 0.000 1.248 297 L CB -0.774 40.939 42.059 -0.577 0.000 1.556 297 L HN 0.184 nan 8.230 nan 0.000 0.420 298 L N -1.795 119.271 121.223 -0.261 0.000 2.466 298 L HA 0.442 4.783 4.340 0.001 0.000 0.257 298 L C 1.673 178.428 176.870 -0.192 0.000 1.189 298 L CA 0.467 55.152 54.840 -0.259 0.000 0.813 298 L CB -0.245 41.572 42.059 -0.404 0.000 1.118 298 L HN 0.301 nan 8.230 nan 0.000 0.471 299 S N -0.507 115.092 115.700 -0.169 0.000 2.399 299 S HA -0.190 4.280 4.470 0.001 0.000 0.231 299 S C 1.701 176.233 174.600 -0.114 0.000 1.022 299 S CA 0.930 59.055 58.200 -0.126 0.000 0.983 299 S CB -0.985 62.134 63.200 -0.136 0.000 0.803 299 S HN 0.912 nan 8.310 nan 0.000 0.480 300 S N 1.785 117.426 115.700 -0.098 0.000 2.515 300 S HA 0.105 4.576 4.470 0.001 0.000 0.231 300 S C 1.295 175.859 174.600 -0.060 0.000 0.987 300 S CA 0.401 58.570 58.200 -0.052 0.000 0.936 300 S CB -0.541 62.660 63.200 0.002 0.000 0.766 300 S HN 0.451 nan 8.310 nan 0.000 0.528 301 N N 1.127 119.764 118.700 -0.106 0.000 2.398 301 N HA 0.344 5.084 4.740 0.001 0.000 0.188 301 N C -0.537 174.898 175.510 -0.125 0.000 1.122 301 N CA 0.211 53.184 53.050 -0.128 0.000 0.866 301 N CB 0.056 38.432 38.487 -0.186 0.000 0.970 301 N HN 0.545 nan 8.380 nan 0.000 0.462 302 I N 1.508 122.024 120.570 -0.089 0.000 2.410 302 I HA 0.300 4.470 4.170 0.001 0.000 0.286 302 I C -0.668 175.395 176.117 -0.089 0.000 1.009 302 I CA -0.609 60.691 61.300 0.001 0.000 1.111 302 I CB 1.766 39.773 38.000 0.012 0.000 1.262 302 I HN -0.287 nan 8.210 nan 0.000 0.443 303 I N 4.904 125.419 120.570 -0.091 0.000 2.378 303 I HA 0.287 4.457 4.170 0.001 0.000 0.291 303 I C -0.233 175.725 176.117 -0.266 0.000 0.992 303 I CA -0.570 60.611 61.300 -0.197 0.000 1.154 303 I CB 1.475 39.396 38.000 -0.132 0.000 1.315 303 I HN 0.527 nan 8.210 nan 0.000 0.448 304 N N 4.391 122.786 118.700 -0.507 0.000 2.485 304 N HA 0.246 4.987 4.740 0.001 0.000 0.243 304 N C -0.895 174.429 175.510 -0.309 0.000 0.987 304 N CA -0.089 52.698 53.050 -0.438 0.000 0.940 304 N CB 0.765 38.860 38.487 -0.654 0.000 1.122 304 N HN 0.455 nan 8.380 nan 0.000 0.509 305 T N 3.259 117.736 114.554 -0.129 0.000 2.832 305 T HA 0.220 4.570 4.350 0.001 0.000 0.313 305 T C 0.087 174.793 174.700 0.010 0.000 1.035 305 T CA -0.519 61.553 62.100 -0.047 0.000 0.950 305 T CB 0.268 69.102 68.868 -0.058 0.000 0.984 305 T HN 0.163 nan 8.240 nan 0.000 0.486 306 V N 3.868 123.826 119.914 0.073 0.000 2.470 306 V HA 0.679 4.799 4.120 0.001 0.000 0.276 306 V C 0.997 177.124 176.094 0.054 0.000 1.040 306 V CA 0.374 62.727 62.300 0.088 0.000 1.008 306 V CB 0.123 32.036 31.823 0.150 0.000 0.990 306 V HN 1.167 nan 8.190 nan 0.000 0.477 345 D N 0.845 121.249 120.400 0.007 0.000 2.350 345 D HA 0.457 5.097 4.640 0.001 0.000 0.249 345 D C -0.137 176.168 176.300 0.009 0.000 1.119 345 D CA 0.442 54.466 54.000 0.040 0.000 0.886 345 D CB 2.090 42.913 40.800 0.038 0.000 1.195 345 D HN 0.296 nan 8.370 nan 0.000 0.437 346 S N 2.266 117.972 115.700 0.010 0.000 2.614 346 S HA 0.419 4.889 4.470 0.001 0.000 0.288 346 S C -0.966 173.605 174.600 -0.048 0.000 1.137 346 S CA -0.854 57.328 58.200 -0.030 0.000 0.992 346 S CB 0.616 63.791 63.200 -0.041 0.000 1.026 346 S HN 0.238 nan 8.310 nan 0.000 0.486 347 I N 4.635 125.163 120.570 -0.070 0.000 2.377 347 I HA 0.524 4.694 4.170 0.001 0.000 0.293 347 I C 0.377 176.355 176.117 -0.231 0.000 0.987 347 I CA -0.160 61.078 61.300 -0.104 0.000 1.185 347 I CB 1.389 39.370 38.000 -0.032 0.000 1.341 347 I HN 0.826 nan 8.210 nan 0.000 0.455 348 S N 5.547 121.109 115.700 -0.231 0.000 2.595 348 S HA 0.754 5.225 4.470 0.001 0.000 0.281 348 S C -0.991 173.517 174.600 -0.153 0.000 1.117 348 S CA -0.715 57.296 58.200 -0.315 0.000 0.873 348 S CB 2.064 65.172 63.200 -0.153 0.000 1.108 348 S HN 0.157 nan 8.310 nan 0.000 0.477 349 F N 1.177 121.145 119.950 0.030 0.000 2.432 349 F HA 0.756 5.283 4.527 0.001 0.000 0.329 349 F C 0.426 176.207 175.800 -0.031 0.000 1.076 349 F CA -1.826 56.140 58.000 -0.058 0.000 1.018 349 F CB 1.049 40.002 39.000 -0.077 0.000 1.201 349 F HN 0.801 nan 8.300 nan 0.000 0.489 350 I N -2.094 118.458 120.570 -0.029 0.000 3.206 350 I HA 0.656 4.827 4.170 0.001 0.000 0.313 350 I C -0.840 175.083 176.117 -0.324 0.000 1.103 350 I CA -1.170 60.064 61.300 -0.110 0.000 0.985 350 I CB 1.978 39.982 38.000 0.008 0.000 1.240 350 I HN 0.427 nan 8.210 nan 0.000 0.464 351 D N 1.679 121.963 120.400 -0.193 0.000 3.437 351 D HA -0.203 4.438 4.640 0.001 0.000 0.243 351 D C -0.788 175.311 176.300 -0.334 0.000 1.104 351 D CA 0.774 54.701 54.000 -0.121 0.000 1.009 351 D CB -0.672 40.124 40.800 -0.007 0.000 0.937 351 D HN 0.566 nan 8.370 nan 0.000 0.417 352 F N 0.798 120.711 119.950 -0.062 0.000 2.898 352 F HA 0.150 4.677 4.527 0.001 0.000 0.290 352 F C 1.965 177.653 175.800 -0.186 0.000 1.195 352 F CA -0.045 57.820 58.000 -0.225 0.000 1.387 352 F CB 0.086 39.016 39.000 -0.116 0.000 0.976 352 F HN 0.227 nan 8.300 nan 0.000 0.510 353 E N -0.944 119.191 120.200 -0.108 0.000 2.268 353 E HA -0.200 4.150 4.350 0.001 0.000 0.195 353 E C 0.669 177.018 176.600 -0.418 0.000 0.995 353 E CA 1.404 57.636 56.400 -0.279 0.000 0.836 353 E CB -0.305 29.152 29.700 -0.404 0.000 0.763 353 E HN 0.548 nan 8.360 nan 0.000 0.491 354 Y N 1.321 121.609 120.300 -0.020 0.000 2.458 354 Y HA 0.260 4.810 4.550 0.001 0.000 0.256 354 Y C 0.708 176.586 175.900 -0.038 0.000 1.159 354 Y CA -0.433 57.666 58.100 -0.001 0.000 1.261 354 Y CB 0.758 39.255 38.460 0.060 0.000 1.119 354 Y HN -0.151 nan 8.280 nan 0.000 0.524 355 S N 1.763 117.483 115.700 0.035 0.000 2.544 355 S HA 0.254 4.725 4.470 0.001 0.000 0.290 355 S C 0.037 174.590 174.600 -0.079 0.000 1.276 355 S CA -0.141 58.064 58.200 0.008 0.000 1.075 355 S CB -0.477 62.763 63.200 0.066 0.000 0.849 355 S HN 0.512 nan 8.310 nan 0.000 0.494 356 C N 2.269 121.488 119.300 -0.135 0.000 3.259 356 C HA 0.641 5.101 4.460 0.001 0.000 0.344 356 C C -3.433 171.349 174.990 -0.348 0.000 1.401 356 C CA -2.281 56.521 59.018 -0.360 0.000 1.219 356 C CB 0.600 28.075 27.740 -0.442 0.000 1.521 356 C HN 0.455 nan 8.230 nan 0.000 0.455 357 P HA 0.436 nan 4.420 nan 0.000 0.276 357 P C -0.606 176.636 177.300 -0.097 0.000 1.264 357 P CA 0.681 63.600 63.100 -0.302 0.000 0.769 357 P CB 0.240 31.705 31.700 -0.391 0.000 0.840 358 M N 1.072 120.624 119.600 -0.080 0.000 2.716 358 M HA 0.307 4.788 4.480 0.001 0.000 0.278 358 M C -0.192 176.066 176.300 -0.071 0.000 1.281 358 M CA -1.136 54.117 55.300 -0.079 0.000 0.814 358 M CB 1.757 34.250 32.600 -0.178 0.000 1.719 358 M HN 0.085 nan 8.290 nan 0.000 0.457 359 E N 1.040 121.208 120.200 -0.053 0.000 2.529 359 E HA -0.066 4.285 4.350 0.001 0.000 0.259 359 E C 0.734 177.194 176.600 -0.234 0.000 0.966 359 E CA 0.315 56.659 56.400 -0.095 0.000 0.937 359 E CB 0.344 30.019 29.700 -0.043 0.000 0.923 359 E HN 0.469 nan 8.360 nan 0.000 0.468 360 R N 2.886 123.224 120.500 -0.271 0.000 2.193 360 R HA -0.115 4.225 4.340 0.001 0.000 0.229 360 R C 1.583 177.679 176.300 -0.341 0.000 1.110 360 R CA 1.418 57.305 56.100 -0.355 0.000 0.988 360 R CB -0.203 29.948 30.300 -0.249 0.000 0.871 360 R HN 0.426 nan 8.270 nan 0.000 0.458 361 A N 0.626 123.137 122.820 -0.514 0.000 1.970 361 A HA -0.111 4.209 4.320 0.001 0.000 0.216 361 A C 1.938 179.018 177.584 -0.840 0.000 1.170 361 A CA 0.701 52.315 52.037 -0.705 0.000 0.645 361 A CB -0.686 17.801 19.000 -0.855 0.000 0.816 361 A HN 0.510 nan 8.150 nan 0.000 0.447 362 Y N 1.005 120.689 120.300 -1.026 0.000 2.114 362 Y HA -0.280 4.270 4.550 0.001 0.000 0.282 362 Y C 2.020 177.747 175.900 -0.290 0.000 1.165 362 Y CA 2.275 60.117 58.100 -0.429 0.000 1.148 362 Y CB -0.232 38.100 38.460 -0.213 0.000 0.972 362 Y HN 0.370 nan 8.280 nan 0.000 0.504 363 D N -0.149 120.127 120.400 -0.207 0.000 2.178 363 D HA -0.157 4.483 4.640 0.001 0.000 0.202 363 D C 2.045 178.127 176.300 -0.364 0.000 0.974 363 D CA 1.593 55.486 54.000 -0.180 0.000 0.841 363 D CB -0.210 40.653 40.800 0.104 0.000 0.953 363 D HN 0.524 nan 8.370 nan 0.000 0.478 364 I N 0.041 120.328 120.570 -0.470 0.000 2.277 364 I HA -0.117 4.053 4.170 0.001 0.000 0.243 364 I C 2.436 177.924 176.117 -1.049 0.000 1.094 364 I CA 0.866 61.704 61.300 -0.769 0.000 1.393 364 I CB -0.251 37.324 38.000 -0.708 0.000 1.078 364 I HN -0.068 nan 8.210 nan 0.000 0.417 365 A N 0.997 123.336 122.820 -0.801 0.000 1.930 365 A HA -0.241 4.079 4.320 0.001 0.000 0.217 365 A C 2.059 179.170 177.584 -0.788 0.000 1.175 365 A CA 2.218 53.718 52.037 -0.895 0.000 0.627 365 A CB -0.920 17.625 19.000 -0.759 0.000 0.815 365 A HN 0.483 nan 8.150 nan 0.000 0.443 366 N N -0.869 117.400 118.700 -0.718 0.000 2.166 366 N HA -0.237 4.504 4.740 0.001 0.000 0.186 366 N C 1.678 176.962 175.510 -0.377 0.000 1.019 366 N CA 1.982 54.691 53.050 -0.569 0.000 0.856 366 N CB -0.368 37.696 38.487 -0.705 0.000 0.993 366 N HN 0.654 nan 8.380 nan 0.000 0.426 367 H N -1.033 117.728 119.070 -0.515 0.000 2.389 367 H HA -0.011 4.546 4.556 0.001 0.000 0.299 367 H C 1.231 176.441 175.328 -0.196 0.000 1.081 367 H CA 1.609 57.417 56.048 -0.399 0.000 1.345 367 H CB -0.348 29.092 29.762 -0.536 0.000 1.393 367 H HN 0.197 nan 8.280 nan 0.000 0.520 368 F N 0.453 120.062 119.950 -0.569 0.000 2.259 368 F HA -0.085 4.442 4.527 0.001 0.000 0.298 368 F C 2.182 177.781 175.800 -0.336 0.000 1.088 368 F CA 0.713 58.274 58.000 -0.733 0.000 1.358 368 F CB -0.790 37.832 39.000 -0.629 0.000 1.040 368 F HN 0.259 nan 8.300 nan 0.000 0.505 369 N N 0.400 119.090 118.700 -0.017 0.000 2.289 369 N HA -0.144 4.596 4.740 0.001 0.000 0.184 369 N C 1.396 177.035 175.510 0.215 0.000 1.016 369 N CA 0.848 53.994 53.050 0.159 0.000 0.872 369 N CB -0.241 38.212 38.487 -0.056 0.000 0.973 369 N HN 0.276 nan 8.380 nan 0.000 0.433 370 E N -0.431 119.791 120.200 0.036 0.000 2.502 370 E HA -0.023 4.327 4.350 0.001 0.000 0.194 370 E C 0.854 177.491 176.600 0.061 0.000 1.062 370 E CA -0.013 56.364 56.400 -0.037 0.000 0.867 370 E CB -0.104 29.485 29.700 -0.185 0.000 0.888 370 E HN 0.437 nan 8.360 nan 0.000 0.510 371 Y N 0.859 121.111 120.300 -0.080 0.000 2.314 371 Y HA -0.030 4.521 4.550 0.001 0.000 0.293 371 Y C 2.334 178.225 175.900 -0.015 0.000 1.129 371 Y CA 0.544 58.613 58.100 -0.053 0.000 1.201 371 Y CB -0.561 37.897 38.460 -0.004 0.000 0.999 371 Y HN 0.053 nan 8.280 nan 0.000 0.541 372 A N -0.136 122.809 122.820 0.209 0.000 2.015 372 A HA 0.276 4.597 4.320 0.001 0.000 0.219 372 A C 1.770 179.306 177.584 -0.079 0.000 1.163 372 A CA 1.182 53.248 52.037 0.047 0.000 0.646 372 A CB -1.200 17.795 19.000 -0.007 0.000 0.806 372 A HN 0.544 nan 8.150 nan 0.000 0.448 373 G N -2.291 106.455 108.800 -0.089 0.000 2.750 373 G HA2 -0.205 3.755 3.960 0.001 0.000 0.228 373 G HA3 -0.205 3.755 3.960 0.001 0.000 0.228 373 G C 0.184 174.995 174.900 -0.148 0.000 1.367 373 G CA -0.010 44.991 45.100 -0.165 0.000 0.871 373 G HN 0.391 nan 8.290 nan 0.000 0.560 374 F N 0.741 120.697 119.950 0.009 0.000 2.451 374 F HA 0.049 4.576 4.527 0.001 0.000 0.299 374 F C 2.512 178.375 175.800 0.104 0.000 1.101 374 F CA 1.337 59.390 58.000 0.088 0.000 1.436 374 F CB -0.065 38.944 39.000 0.014 0.000 1.074 374 F HN 0.540 nan 8.300 nan 0.000 0.553 375 N N -0.381 118.399 118.700 0.134 0.000 2.494 375 N HA -0.118 4.623 4.740 0.001 0.000 0.182 375 N C 0.298 175.715 175.510 -0.155 0.000 1.076 375 N CA 0.765 53.822 53.050 0.011 0.000 0.908 375 N CB 0.005 38.480 38.487 -0.020 0.000 0.967 375 N HN 0.180 nan 8.380 nan 0.000 0.449 376 C N 2.121 121.234 119.300 -0.311 0.000 4.350 376 C HA -0.125 4.336 4.460 0.001 0.000 0.302 376 C C -0.764 173.599 174.990 -1.045 0.000 1.390 376 C CA -0.368 58.074 59.018 -0.961 0.000 2.016 376 C CB -2.528 24.683 27.740 -0.882 0.000 1.271 376 C HN 0.405 nan 8.230 nan 0.000 0.760 377 D N -0.155 119.943 120.400 -0.504 0.000 2.455 377 D HA 0.075 4.716 4.640 0.001 0.000 0.234 377 D C 0.968 177.210 176.300 -0.097 0.000 1.224 377 D CA 0.033 53.874 54.000 -0.266 0.000 0.999 377 D CB 0.151 40.885 40.800 -0.111 0.000 1.072 377 D HN 0.749 nan 8.370 nan 0.000 0.514 378 W N 0.956 122.324 121.300 0.114 0.000 2.525 378 W HA -0.112 4.549 4.660 0.000 0.000 0.259 378 W C 1.893 178.438 176.519 0.044 0.000 1.253 378 W CA -0.208 57.229 57.345 0.153 0.000 1.262 378 W CB 0.225 29.804 29.460 0.198 0.000 1.122 378 W HN 0.295 nan 8.180 nan 0.000 0.607 379 D N 0.548 121.071 120.400 0.204 0.000 2.371 379 D HA -0.117 4.524 4.640 0.001 0.000 0.221 379 D C 1.587 177.943 176.300 0.094 0.000 0.986 379 D CA 0.819 54.876 54.000 0.095 0.000 0.899 379 D CB -0.721 40.109 40.800 0.051 0.000 0.902 379 D HN 0.288 nan 8.370 nan 0.000 0.530 380 L N 1.017 122.324 121.223 0.140 0.000 2.509 380 L HA 0.062 4.403 4.340 0.001 0.000 0.222 380 L C 1.021 178.030 176.870 0.233 0.000 1.123 380 L CA 0.183 55.116 54.840 0.155 0.000 0.856 380 L CB -0.332 41.804 42.059 0.129 0.000 0.985 380 L HN 0.025 nan 8.230 nan 0.000 0.456 381 T N -1.204 113.483 114.554 0.223 0.000 2.926 381 T HA 0.185 4.535 4.350 0.001 0.000 0.307 381 T C -2.312 172.356 174.700 -0.052 0.000 1.059 381 T CA -1.515 60.662 62.100 0.127 0.000 1.122 381 T CB 0.374 69.398 68.868 0.260 0.000 0.972 381 T HN -0.088 nan 8.240 nan 0.000 0.545 382 P HA 0.124 nan 4.420 nan 0.000 0.268 382 P C 0.398 177.579 177.300 -0.198 0.000 1.204 382 P CA -0.314 62.603 63.100 -0.306 0.000 0.768 382 P CB 0.408 31.658 31.700 -0.750 0.000 0.842 383 S N 2.058 117.695 115.700 -0.104 0.000 2.580 383 S HA 0.022 4.492 4.470 0.001 0.000 0.266 383 S C 1.474 176.036 174.600 -0.064 0.000 1.354 383 S CA -0.264 57.889 58.200 -0.079 0.000 1.008 383 S CB 0.497 63.672 63.200 -0.041 0.000 0.898 383 S HN 0.363 nan 8.310 nan 0.000 0.555 384 K N 0.951 121.330 120.400 -0.035 0.000 2.107 384 K HA -0.256 4.064 4.320 0.001 0.000 0.211 384 K C 2.127 178.769 176.600 0.069 0.000 1.049 384 K CA 2.322 58.619 56.287 0.017 0.000 0.927 384 K CB -0.461 32.043 32.500 0.007 0.000 0.714 384 K HN 0.841 nan 8.250 nan 0.000 0.452 385 E N -0.074 120.149 120.200 0.039 0.000 2.072 385 E HA -0.198 4.152 4.350 0.001 0.000 0.191 385 E C 1.612 178.313 176.600 0.167 0.000 0.985 385 E CA 1.390 57.833 56.400 0.072 0.000 0.801 385 E CB 0.047 29.758 29.700 0.019 0.000 0.750 385 E HN 0.448 nan 8.360 nan 0.000 0.452 386 E N 0.172 120.429 120.200 0.095 0.000 2.107 386 E HA -0.142 4.209 4.350 0.001 0.000 0.191 386 E C 1.996 178.648 176.600 0.088 0.000 0.982 386 E CA 0.770 57.237 56.400 0.112 0.000 0.809 386 E CB 0.059 29.780 29.700 0.035 0.000 0.756 386 E HN 0.333 nan 8.360 nan 0.000 0.459 387 E N 0.201 120.375 120.200 -0.043 0.000 2.110 387 E HA -0.217 4.133 4.350 0.001 0.000 0.193 387 E C 1.768 178.542 176.600 0.291 0.000 0.988 387 E CA 0.915 57.298 56.400 -0.029 0.000 0.804 387 E CB -0.141 29.554 29.700 -0.007 0.000 0.745 387 E HN 0.290 nan 8.360 nan 0.000 0.458 388 Y N 1.159 121.558 120.300 0.165 0.000 2.114 388 Y HA -0.290 4.260 4.550 0.001 0.000 0.284 388 Y C 2.484 178.522 175.900 0.230 0.000 1.143 388 Y CA 2.060 60.269 58.100 0.181 0.000 1.135 388 Y CB -0.264 38.273 38.460 0.128 0.000 0.980 388 Y HN 0.157 nan 8.280 nan 0.000 0.499 389 H N -0.895 118.385 119.070 0.349 0.000 2.387 389 H HA -0.249 4.307 4.556 0.001 0.000 0.299 389 H C 2.111 177.645 175.328 0.343 0.000 1.099 389 H CA 2.044 58.274 56.048 0.303 0.000 1.315 389 H CB -0.567 29.384 29.762 0.314 0.000 1.380 389 H HN 0.509 nan 8.280 nan 0.000 0.513 390 F N 0.741 120.861 119.950 0.283 0.000 2.128 390 F HA -0.077 4.451 4.527 0.001 0.000 0.295 390 F C 2.475 178.405 175.800 0.216 0.000 1.100 390 F CA 1.071 59.262 58.000 0.319 0.000 1.260 390 F CB -0.315 39.011 39.000 0.544 0.000 1.009 390 F HN 0.028 nan 8.300 nan 0.000 0.476 391 I N -0.006 120.794 120.570 0.384 0.000 2.439 391 I HA -0.286 3.884 4.170 0.001 0.000 0.251 391 I C 2.554 178.679 176.117 0.013 0.000 1.139 391 I CA 1.114 62.562 61.300 0.246 0.000 1.438 391 I CB -0.403 37.729 38.000 0.220 0.000 1.085 391 I HN 0.307 nan 8.210 nan 0.000 0.427 392 M N 0.486 119.963 119.600 -0.205 0.000 2.080 392 M HA -0.264 4.217 4.480 0.001 0.000 0.260 392 M C 2.195 178.280 176.300 -0.358 0.000 1.068 392 M CA 2.009 57.085 55.300 -0.374 0.000 1.109 392 M CB -0.407 31.861 32.600 -0.552 0.000 1.342 392 M HN 0.290 nan 8.290 nan 0.000 0.405 393 H N -1.520 117.426 119.070 -0.205 0.000 2.548 393 H HA -0.078 4.479 4.556 0.001 0.000 0.268 393 H C 1.594 176.800 175.328 -0.203 0.000 0.975 393 H CA 1.158 57.076 56.048 -0.216 0.000 1.195 393 H CB -0.293 29.311 29.762 -0.263 0.000 1.397 393 H HN 0.592 nan 8.280 nan 0.000 0.572 394 Y N 1.359 121.530 120.300 -0.216 0.000 2.176 394 Y HA -0.074 4.477 4.550 0.001 0.000 0.291 394 Y C 2.237 178.074 175.900 -0.105 0.000 1.122 394 Y CA 0.992 58.970 58.100 -0.203 0.000 1.128 394 Y CB -0.457 37.906 38.460 -0.161 0.000 1.005 394 Y HN -0.029 nan 8.280 nan 0.000 0.509 395 L N -0.330 120.824 121.223 -0.115 0.000 2.179 395 L HA 0.098 4.438 4.340 0.001 0.000 0.208 395 L C 1.532 178.299 176.870 -0.172 0.000 1.096 395 L CA 1.023 55.758 54.840 -0.174 0.000 0.779 395 L CB -0.674 41.370 42.059 -0.026 0.000 0.922 395 L HN 0.558 nan 8.230 nan 0.000 0.443 396 G N 0.348 109.057 108.800 -0.151 0.000 2.203 396 G HA2 -0.222 3.739 3.960 0.001 0.000 0.231 396 G HA3 -0.222 3.739 3.960 0.001 0.000 0.231 396 G C 0.118 174.952 174.900 -0.110 0.000 1.058 396 G CA 0.274 45.299 45.100 -0.124 0.000 0.781 396 G HN 0.302 nan 8.290 nan 0.000 0.496 397 T N -0.838 113.638 114.554 -0.131 0.000 2.932 397 T HA 0.507 4.857 4.350 0.001 0.000 0.318 397 T C 0.289 174.913 174.700 -0.126 0.000 1.265 397 T CA 0.415 62.454 62.100 -0.102 0.000 1.036 397 T CB 1.286 70.113 68.868 -0.069 0.000 1.209 397 T HN 0.282 nan 8.240 nan 0.000 0.484 398 D N 1.681 122.033 120.400 -0.080 0.000 2.340 398 D HA 0.103 4.743 4.640 0.001 0.000 0.217 398 D C 0.272 176.571 176.300 -0.002 0.000 1.081 398 D CA -0.228 53.741 54.000 -0.052 0.000 0.842 398 D CB -0.018 40.771 40.800 -0.018 0.000 0.934 398 D HN 0.470 nan 8.370 nan 0.000 0.511 399 D N 1.913 122.306 120.400 -0.012 0.000 2.367 399 D HA -0.052 4.588 4.640 0.001 0.000 0.255 399 D C 1.478 177.803 176.300 0.042 0.000 1.300 399 D CA -0.065 53.946 54.000 0.019 0.000 0.959 399 D CB 0.503 41.307 40.800 0.008 0.000 1.064 399 D HN 0.356 nan 8.370 nan 0.000 0.509 400 E N 2.546 122.811 120.200 0.110 0.000 2.267 400 E HA -0.245 4.105 4.350 0.001 0.000 0.197 400 E C 0.813 177.501 176.600 0.146 0.000 0.998 400 E CA 0.860 57.380 56.400 0.201 0.000 0.830 400 E CB 0.006 29.872 29.700 0.276 0.000 0.751 400 E HN 0.467 nan 8.360 nan 0.000 0.491 401 E N 0.501 120.756 120.200 0.093 0.000 2.208 401 E HA -0.105 4.245 4.350 0.001 0.000 0.193 401 E C 1.986 178.628 176.600 0.070 0.000 0.988 401 E CA 0.549 56.995 56.400 0.077 0.000 0.828 401 E CB -0.046 29.688 29.700 0.056 0.000 0.763 401 E HN 0.310 nan 8.360 nan 0.000 0.478 402 L N 0.581 121.836 121.223 0.054 0.000 2.127 402 L HA 0.037 4.378 4.340 0.001 0.000 0.203 402 L C 2.132 179.030 176.870 0.047 0.000 1.080 402 L CA 0.842 55.709 54.840 0.044 0.000 0.768 402 L CB -0.157 41.917 42.059 0.024 0.000 0.924 402 L HN -0.024 nan 8.230 nan 0.000 0.444 403 I N -0.074 120.506 120.570 0.018 0.000 2.099 403 I HA -0.323 3.848 4.170 0.001 0.000 0.239 403 I C 1.926 178.094 176.117 0.086 0.000 1.066 403 I CA 1.380 62.667 61.300 -0.022 0.000 1.324 403 I CB -0.653 37.184 38.000 -0.272 0.000 1.037 403 I HN 0.299 nan 8.210 nan 0.000 0.401 404 N N 0.474 119.270 118.700 0.161 0.000 2.348 404 N HA -0.245 4.495 4.740 0.001 0.000 0.185 404 N C 1.771 177.361 175.510 0.133 0.000 1.019 404 N CA 1.111 54.269 53.050 0.180 0.000 0.880 404 N CB -0.304 38.287 38.487 0.173 0.000 0.965 404 N HN 0.494 nan 8.380 nan 0.000 0.437 405 Q N -0.462 119.404 119.800 0.110 0.000 2.212 405 Q HA 0.057 4.397 4.340 0.001 0.000 0.199 405 Q C 1.698 177.762 176.000 0.106 0.000 0.950 405 Q CA 0.404 56.266 55.803 0.098 0.000 0.863 405 Q CB 0.089 28.876 28.738 0.082 0.000 0.944 405 Q HN 0.190 nan 8.270 nan 0.000 0.465 406 L N 0.210 121.499 121.223 0.109 0.000 2.209 406 L HA 0.031 4.372 4.340 0.001 0.000 0.207 406 L C 1.708 178.655 176.870 0.129 0.000 1.094 406 L CA 1.173 56.080 54.840 0.111 0.000 0.790 406 L CB -0.235 41.895 42.059 0.119 0.000 0.932 406 L HN 0.278 nan 8.230 nan 0.000 0.447 407 I N -0.522 120.140 120.570 0.153 0.000 2.113 407 I HA -0.362 3.808 4.170 0.001 0.000 0.242 407 I C 2.557 178.780 176.117 0.176 0.000 1.064 407 I CA 1.279 62.689 61.300 0.184 0.000 1.320 407 I CB -0.464 37.655 38.000 0.197 0.000 1.028 407 I HN 0.277 nan 8.210 nan 0.000 0.406 408 R N 0.445 121.034 120.500 0.150 0.000 2.105 408 R HA -0.214 4.126 4.340 0.001 0.000 0.239 408 R C 2.105 178.508 176.300 0.171 0.000 1.135 408 R CA 1.433 57.619 56.100 0.143 0.000 0.967 408 R CB -0.588 29.781 30.300 0.115 0.000 0.861 408 R HN 0.529 nan 8.270 nan 0.000 0.442 409 E N 0.975 121.274 120.200 0.166 0.000 2.150 409 E HA -0.140 4.211 4.350 0.001 0.000 0.193 409 E C 1.925 178.689 176.600 0.273 0.000 0.985 409 E CA 0.984 57.502 56.400 0.195 0.000 0.814 409 E CB -0.007 29.770 29.700 0.129 0.000 0.752 409 E HN 0.464 nan 8.360 nan 0.000 0.466 410 I N -1.730 118.966 120.570 0.210 0.000 3.419 410 I HA 0.003 4.173 4.170 0.001 0.000 0.286 410 I C 2.107 178.447 176.117 0.372 0.000 1.268 410 I CA 0.237 61.650 61.300 0.188 0.000 1.414 410 I CB 0.053 38.069 38.000 0.026 0.000 1.074 410 I HN -0.055 nan 8.210 nan 0.000 0.457 411 Q N 2.296 122.325 119.800 0.381 0.000 2.050 411 Q HA -0.028 4.312 4.340 0.001 0.000 0.202 411 Q C -0.522 175.706 176.000 0.379 0.000 0.980 411 Q CA 2.198 58.246 55.803 0.408 0.000 0.840 411 Q CB -1.181 27.703 28.738 0.242 0.000 0.898 411 Q HN 0.437 nan 8.270 nan 0.000 0.424 412 P HA -0.043 nan 4.420 nan 0.000 0.241 412 P C 0.224 177.546 177.300 0.036 0.000 1.191 412 P CA 0.756 63.917 63.100 0.103 0.000 0.771 412 P CB -0.049 31.628 31.700 -0.038 0.000 0.929 413 F N -2.120 117.907 119.950 0.128 0.000 2.710 413 F HA 0.028 4.555 4.527 0.001 0.000 0.298 413 F C 2.238 177.982 175.800 -0.093 0.000 1.137 413 F CA 0.547 58.574 58.000 0.045 0.000 1.444 413 F CB -0.901 38.091 39.000 -0.014 0.000 1.111 413 F HN -0.182 nan 8.300 nan 0.000 0.580 414 Y N 0.351 120.670 120.300 0.032 0.000 2.097 414 Y HA -0.276 4.274 4.550 0.001 0.000 0.282 414 Y C 2.368 178.032 175.900 -0.393 0.000 1.152 414 Y CA 1.853 59.842 58.100 -0.185 0.000 1.136 414 Y CB -0.733 37.732 38.460 0.009 0.000 0.975 414 Y HN -0.018 nan 8.280 nan 0.000 0.498 415 I N -1.604 118.996 120.570 0.051 0.000 2.286 415 I HA -0.335 3.835 4.170 0.001 0.000 0.248 415 I C 2.686 178.809 176.117 0.010 0.000 1.115 415 I CA 1.069 62.396 61.300 0.044 0.000 1.392 415 I CB -0.538 37.504 38.000 0.070 0.000 1.065 415 I HN 0.370 nan 8.210 nan 0.000 0.418 416 C N -0.077 119.235 119.300 0.020 0.000 2.429 416 C HA -0.181 4.279 4.460 0.001 0.000 0.277 416 C C 3.354 178.412 174.990 0.113 0.000 1.262 416 C CA 1.679 60.739 59.018 0.071 0.000 1.733 416 C CB -0.826 26.982 27.740 0.112 0.000 2.010 416 C HN 0.588 nan 8.230 nan 0.000 0.483 417 S N -0.873 114.850 115.700 0.037 0.000 2.382 417 S HA -0.189 4.281 4.470 0.001 0.000 0.228 417 S C 1.893 176.511 174.600 0.030 0.000 1.027 417 S CA 1.591 59.783 58.200 -0.012 0.000 0.991 417 S CB -0.664 62.328 63.200 -0.347 0.000 0.823 417 S HN 0.810 nan 8.310 nan 0.000 0.469 418 H N 1.166 120.219 119.070 -0.030 0.000 2.319 418 H HA -0.008 4.548 4.556 0.001 0.000 0.299 418 H C 2.222 177.562 175.328 0.021 0.000 1.092 418 H CA 1.749 57.762 56.048 -0.059 0.000 1.302 418 H CB -0.684 28.923 29.762 -0.257 0.000 1.373 418 H HN 0.454 nan 8.280 nan 0.000 0.497 419 I N 0.643 121.285 120.570 0.120 0.000 2.202 419 I HA -0.255 3.916 4.170 0.001 0.000 0.242 419 I C 2.458 178.622 176.117 0.079 0.000 1.091 419 I CA 1.303 62.641 61.300 0.063 0.000 1.368 419 I CB -0.286 37.711 38.000 -0.006 0.000 1.058 419 I HN 0.182 nan 8.210 nan 0.000 0.410 420 N N 0.480 119.208 118.700 0.046 0.000 2.036 420 N HA -0.243 4.498 4.740 0.001 0.000 0.195 420 N C 1.677 177.163 175.510 -0.040 0.000 1.037 420 N CA 1.980 55.014 53.050 -0.027 0.000 0.855 420 N CB -0.283 38.087 38.487 -0.195 0.000 1.033 420 N HN 0.303 nan 8.380 nan 0.000 0.423 421 W N -0.120 121.292 121.300 0.188 0.000 2.658 421 W HA 0.306 4.966 4.660 0.000 0.000 0.263 421 W C 2.363 179.066 176.519 0.308 0.000 1.274 421 W CA 0.337 57.827 57.345 0.241 0.000 1.343 421 W CB -0.471 29.104 29.460 0.192 0.000 1.106 421 W HN 0.144 nan 8.180 nan 0.000 0.615 422 G N 0.870 109.882 108.800 0.353 0.000 2.446 422 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 422 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 422 G C 1.404 176.427 174.900 0.205 0.000 1.168 422 G CA 1.052 46.291 45.100 0.233 0.000 0.771 422 G HN 0.198 nan 8.290 nan 0.000 0.551 423 L N -1.635 119.681 121.223 0.155 0.000 2.131 423 L HA 0.116 4.457 4.340 0.001 0.000 0.206 423 L C 2.563 179.387 176.870 -0.078 0.000 1.087 423 L CA 0.630 55.520 54.840 0.083 0.000 0.767 423 L CB -0.380 41.779 42.059 0.165 0.000 0.917 423 L HN 0.428 nan 8.230 nan 0.000 0.441 424 W N 0.729 121.773 121.300 -0.427 0.000 2.333 424 W HA -0.269 4.391 4.660 0.001 0.000 0.316 424 W C 2.880 179.341 176.519 -0.098 0.000 1.215 424 W CA 1.995 58.980 57.345 -0.599 0.000 1.278 424 W CB -0.248 28.911 29.460 -0.501 0.000 1.154 424 W HN -0.021 nan 8.180 nan 0.000 0.486 425 S N 0.113 116.029 115.700 0.361 0.000 2.382 425 S HA -0.183 4.287 4.470 0.001 0.000 0.228 425 S C 1.980 176.634 174.600 0.089 0.000 1.027 425 S CA 1.644 60.049 58.200 0.341 0.000 0.991 425 S CB -0.566 63.169 63.200 0.891 0.000 0.823 425 S HN 0.334 nan 8.310 nan 0.000 0.469 426 L N 0.765 122.036 121.223 0.080 0.000 2.046 426 L HA -0.075 4.265 4.340 0.001 0.000 0.208 426 L C 2.421 179.227 176.870 -0.105 0.000 1.077 426 L CA 1.062 55.917 54.840 0.025 0.000 0.747 426 L CB -0.457 41.640 42.059 0.064 0.000 0.896 426 L HN 0.340 nan 8.230 nan 0.000 0.432 427 L N -0.707 120.405 121.223 -0.186 0.000 2.083 427 L HA -0.230 4.110 4.340 0.001 0.000 0.209 427 L C 2.863 179.541 176.870 -0.320 0.000 1.083 427 L CA 1.095 55.807 54.840 -0.212 0.000 0.752 427 L CB -0.321 41.601 42.059 -0.227 0.000 0.899 427 L HN 0.394 nan 8.230 nan 0.000 0.433 428 Q N -0.719 118.711 119.800 -0.617 0.000 2.119 428 Q HA -0.118 4.222 4.340 0.001 0.000 0.201 428 Q C 2.171 177.749 176.000 -0.704 0.000 0.972 428 Q CA 1.528 56.785 55.803 -0.910 0.000 0.847 428 Q CB -0.468 27.170 28.738 -1.833 0.000 0.903 428 Q HN 0.566 nan 8.270 nan 0.000 0.433 429 G N 0.352 108.913 108.800 -0.397 0.000 2.509 429 G HA2 -0.171 3.790 3.960 0.001 0.000 0.218 429 G HA3 -0.171 3.790 3.960 0.001 0.000 0.218 429 G C 1.367 176.183 174.900 -0.140 0.000 1.124 429 G CA 0.331 45.373 45.100 -0.096 0.000 0.776 429 G HN 0.147 nan 8.290 nan 0.000 0.547 430 M N 0.509 119.957 119.600 -0.253 0.000 2.200 430 M HA 0.073 4.553 4.480 0.001 0.000 0.265 430 M C 0.571 176.544 176.300 -0.545 0.000 1.066 430 M CA 0.934 55.986 55.300 -0.414 0.000 1.127 430 M CB -0.561 31.698 32.600 -0.569 0.000 1.379 430 M HN 0.205 nan 8.290 nan 0.000 0.420 431 H N 0.160 119.165 119.070 -0.108 0.000 2.317 431 H HA 0.336 4.893 4.556 0.001 0.000 0.231 431 H C -0.139 175.143 175.328 -0.076 0.000 1.442 431 H CA -0.436 55.568 56.048 -0.073 0.000 1.336 431 H CB 0.028 29.741 29.762 -0.080 0.000 1.533 431 H HN 0.120 nan 8.280 nan 0.000 0.522 432 S N 1.259 116.976 115.700 0.028 0.000 2.452 432 S HA 0.570 5.041 4.470 0.001 0.000 0.284 432 S C 0.422 175.089 174.600 0.112 0.000 1.171 432 S CA -0.478 57.761 58.200 0.065 0.000 1.064 432 S CB 1.637 64.903 63.200 0.110 0.000 0.967 432 S HN 0.501 nan 8.310 nan 0.000 0.484 436 F N 0.723 120.485 119.950 -0.312 0.000 2.581 436 F HA 0.347 4.875 4.527 0.001 0.000 0.311 436 F C -0.527 174.933 175.800 -0.566 0.000 1.113 436 F CA -0.861 56.777 58.000 -0.604 0.000 0.935 436 F CB 1.823 40.194 39.000 -1.049 0.000 1.232 436 F HN -0.279 nan 8.300 nan 0.000 0.445 437 D N 5.487 125.223 120.400 -1.108 0.000 2.600 437 D HA 0.083 4.723 4.640 0.001 0.000 0.226 437 D C 1.073 177.067 176.300 -0.510 0.000 1.119 437 D CA 0.364 53.980 54.000 -0.640 0.000 1.051 437 D CB -0.423 40.082 40.800 -0.491 0.000 1.106 437 D HN 0.505 nan 8.370 nan 0.000 0.491 438 F N 1.019 120.952 119.950 -0.029 0.000 2.120 438 F HA -0.261 4.266 4.527 0.001 0.000 0.300 438 F C 2.203 178.102 175.800 0.165 0.000 1.095 438 F CA 0.499 58.630 58.000 0.218 0.000 1.249 438 F CB -0.065 39.026 39.000 0.151 0.000 0.995 438 F HN 0.338 nan 8.300 nan 0.000 0.480 439 I N 0.215 120.930 120.570 0.242 0.000 2.202 439 I HA -0.280 3.891 4.170 0.001 0.000 0.242 439 I C 1.890 178.082 176.117 0.124 0.000 1.091 439 I CA 1.675 63.065 61.300 0.149 0.000 1.368 439 I CB -1.594 36.450 38.000 0.074 0.000 1.058 439 I HN 0.188 nan 8.210 nan 0.000 0.410 440 N N -0.211 118.535 118.700 0.077 0.000 2.188 440 N HA -0.232 4.509 4.740 0.001 0.000 0.184 440 N C 1.992 177.572 175.510 0.116 0.000 1.018 440 N CA 0.904 53.988 53.050 0.057 0.000 0.858 440 N CB -0.265 38.218 38.487 -0.006 0.000 0.989 440 N HN 0.290 nan 8.380 nan 0.000 0.426 441 Y N 1.083 121.411 120.300 0.046 0.000 2.200 441 Y HA -0.026 4.524 4.550 0.001 0.000 0.290 441 Y C 2.278 178.345 175.900 0.277 0.000 1.137 441 Y CA 1.617 59.820 58.100 0.171 0.000 1.163 441 Y CB -0.710 37.915 38.460 0.276 0.000 0.988 441 Y HN -0.020 nan 8.280 nan 0.000 0.518 442 G N 0.188 109.166 108.800 0.296 0.000 2.440 442 G HA2 -0.245 3.715 3.960 0.001 0.000 0.218 442 G HA3 -0.245 3.715 3.960 0.001 0.000 0.218 442 G C 1.492 176.450 174.900 0.096 0.000 1.154 442 G CA 1.247 46.476 45.100 0.215 0.000 0.767 442 G HN 0.322 nan 8.290 nan 0.000 0.552 443 M N 0.784 120.434 119.600 0.083 0.000 2.200 443 M HA 0.011 4.491 4.480 0.001 0.000 0.265 443 M C 2.690 179.013 176.300 0.039 0.000 1.066 443 M CA 1.189 56.522 55.300 0.055 0.000 1.127 443 M CB -1.474 31.157 32.600 0.053 0.000 1.379 443 M HN 0.149 nan 8.290 nan 0.000 0.420 444 T N 0.556 115.131 114.554 0.035 0.000 2.746 444 T HA -0.097 4.254 4.350 0.001 0.000 0.267 444 T C 2.004 176.750 174.700 0.077 0.000 1.039 444 T CA 0.973 63.108 62.100 0.058 0.000 1.142 444 T CB -0.100 68.796 68.868 0.046 0.000 0.866 444 T HN 0.208 nan 8.240 nan 0.000 0.444 445 R N 1.119 121.613 120.500 -0.009 0.000 2.073 445 R HA 0.117 4.457 4.340 0.001 0.000 0.234 445 R C 2.494 178.769 176.300 -0.042 0.000 1.134 445 R CA 0.913 57.026 56.100 0.021 0.000 0.952 445 R CB -1.270 29.061 30.300 0.052 0.000 0.850 445 R HN 0.402 nan 8.270 nan 0.000 0.433 446 L N 0.428 121.650 121.223 -0.001 0.000 2.131 446 L HA -0.153 4.187 4.340 0.001 0.000 0.210 446 L C 2.239 179.080 176.870 -0.048 0.000 1.092 446 L CA 1.452 56.282 54.840 -0.016 0.000 0.759 446 L CB -0.669 41.391 42.059 0.002 0.000 0.903 446 L HN 0.217 nan 8.230 nan 0.000 0.435 447 T N -0.097 114.440 114.554 -0.029 0.000 2.708 447 T HA -0.158 4.192 4.350 0.001 0.000 0.266 447 T C 2.013 176.664 174.700 -0.083 0.000 1.037 447 T CA 1.282 63.371 62.100 -0.018 0.000 1.146 447 T CB -0.224 68.668 68.868 0.040 0.000 0.865 447 T HN 0.452 nan 8.240 nan 0.000 0.435 448 A N 1.926 124.622 122.820 -0.207 0.000 1.978 448 A HA -0.129 4.191 4.320 0.001 0.000 0.220 448 A C 2.535 179.755 177.584 -0.607 0.000 1.170 448 A CA 2.122 53.800 52.037 -0.598 0.000 0.636 448 A CB -0.856 17.286 19.000 -1.430 0.000 0.810 448 A HN 0.619 nan 8.150 nan 0.000 0.448 449 S N -1.546 113.925 115.700 -0.381 0.000 2.447 449 S HA -0.125 4.345 4.470 0.001 0.000 0.233 449 S C 1.546 176.112 174.600 -0.057 0.000 1.006 449 S CA 1.246 59.362 58.200 -0.139 0.000 0.957 449 S CB -0.965 62.208 63.200 -0.045 0.000 0.773 449 S HN 0.563 nan 8.310 nan 0.000 0.507 450 C N 1.110 120.375 119.300 -0.058 0.000 2.799 450 C HA 0.498 4.959 4.460 0.001 0.000 0.267 450 C C 0.884 175.871 174.990 -0.005 0.000 1.257 450 C CA -0.914 58.092 59.018 -0.021 0.000 1.702 450 C CB -1.398 26.332 27.740 -0.016 0.000 1.934 450 C HN 0.523 nan 8.230 nan 0.000 0.594 451 L N 1.966 123.188 121.223 -0.000 0.000 2.397 451 L HA 0.184 4.525 4.340 0.001 0.000 0.271 451 L C -1.233 175.640 176.870 0.006 0.000 1.148 451 L CA -1.223 53.626 54.840 0.015 0.000 0.825 451 L CB 0.653 42.731 42.059 0.033 0.000 1.117 451 L HN -0.061 nan 8.230 nan 0.000 0.456 452 P HA -0.213 nan 4.420 nan 0.000 0.216 452 P C 1.613 178.847 177.300 -0.110 0.000 1.153 452 P CA 1.405 64.475 63.100 -0.051 0.000 0.858 452 P CB 0.035 31.706 31.700 -0.049 0.000 0.789 453 I N -5.949 114.504 120.570 -0.195 0.000 2.530 453 I HA -0.204 3.966 4.170 0.001 0.000 0.257 453 I C 1.550 177.329 176.117 -0.565 0.000 1.179 453 I CA 1.867 62.934 61.300 -0.388 0.000 1.440 453 I CB -0.883 36.817 38.000 -0.500 0.000 1.087 453 I HN -0.125 nan 8.210 nan 0.000 0.440 454 F N 0.287 120.131 119.950 -0.177 0.000 2.653 454 F HA 0.275 4.802 4.527 0.001 0.000 0.288 454 F C 2.471 178.205 175.800 -0.110 0.000 1.121 454 F CA -0.163 57.728 58.000 -0.182 0.000 1.384 454 F CB -0.070 38.836 39.000 -0.156 0.000 1.115 454 F HN -0.251 nan 8.300 nan 0.000 0.599 455 R N 0.283 120.826 120.500 0.073 0.000 2.148 455 R HA -0.034 4.306 4.340 0.001 0.000 0.223 455 R C 1.978 178.280 176.300 0.003 0.000 1.088 455 R CA 1.357 57.480 56.100 0.038 0.000 0.985 455 R CB -0.856 29.454 30.300 0.018 0.000 0.880 455 R HN 0.287 nan 8.270 nan 0.000 0.451 456 S N -0.112 115.568 115.700 -0.033 0.000 2.593 456 S HA 0.094 4.564 4.470 0.001 0.000 0.217 456 S C 1.498 176.070 174.600 -0.047 0.000 0.966 456 S CA 0.135 58.310 58.200 -0.042 0.000 0.914 456 S CB 0.222 63.385 63.200 -0.061 0.000 0.776 456 S HN 0.155 nan 8.310 nan 0.000 0.523 457 K N 0.832 121.204 120.400 -0.047 0.000 2.116 457 K HA 0.126 4.446 4.320 0.001 0.000 0.203 457 K C 0.709 177.320 176.600 0.019 0.000 1.052 457 K CA 0.528 56.790 56.287 -0.041 0.000 0.952 457 K CB -0.227 32.231 32.500 -0.071 0.000 0.729 457 K HN 0.257 nan 8.250 nan 0.000 0.446 458 V N 0.000 119.935 119.914 0.035 0.000 2.409 458 V HA 0.000 4.120 4.120 0.001 0.000 0.244 458 V CA 0.000 62.327 62.300 0.045 0.000 1.235 458 V CB 0.000 31.843 31.823 0.034 0.000 1.184 458 V HN 0.000 nan 8.190 nan 0.000 0.556