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 3dwk_1_D DATA FIRST_RESID 73 DATA SEQUENCE IPAKIYDKNG ELVKTLDXXX RHEHVNLKDV PKSMKDAVLA TEDNRFYEHG DATA SEQUENCE ALDYKRLFXX XXXXXXXXXX XXXASTLTQQ VVKDAFLSQH KSIGRKAQEA DATA SEQUENCE YLSYRLEQEY SKDDIFQVYL NKIYYSDGVT GIKAAAKYYF NKDLKDLNLA DATA SEQUENCE EEAYLAGLPQ VPNNYNIYDH PKAAEDRKNT VLYLMHYHKR ITDKQWEDAK DATA SEQUENCE KIDLKANLVN RTPEERQNID TNQDSEYNSY VNFVKSELMN NKAFKDENLG DATA SEQUENCE NVLQSGIKIY TNMDKDVQKT LQNDVDNGSF YKNKDQQVGA TILDSKTGGL DATA SEQUENCE VAISGGRDFK DVVNRNQATD PHPTGSSLKP FLAYGPAIEN MKWATNHAIQ DATA SEQUENCE DESSYQVDGS TFRNYDTKSH GTVSIYDALR QSFNIPALKA WQSVKQNAGN DATA SEQUENCE DAPKKFAAKL GLNYEGDIGP SEVLGGSASE FSPTQLASAF AAIANGGTYN DATA SEQUENCE NAHSIQKVVT RDGETIEYDH TSHKAMSDYT AYMLAEMLKG TFKPYGSAYG DATA SEQUENCE HGVSGVNMGA KTGTGTYGAE TYSQYNLPDN AAKDVWINGF TPQYTMSVWM DATA SEQUENCE GFSKVKQYGE NSFVGHSQQE YPQFLYENVM SKISSRDGED FKRPSSVSGS DATA SEQUENCE IPSINVSGSQ DNNTTNRSTH 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 73 I HA 0.000 nan 4.170 nan 0.000 0.288 73 I C 0.000 176.112 176.117 -0.009 0.000 1.063 73 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 73 I CB 0.000 37.998 38.000 -0.004 0.000 1.214 74 P HA 0.327 nan 4.420 nan 0.000 0.274 74 P C -0.566 176.734 177.300 -0.000 0.000 1.231 74 P CA -0.122 62.974 63.100 -0.007 0.000 0.790 74 P CB 1.267 32.959 31.700 -0.012 0.000 0.951 75 A N 3.055 125.871 122.820 -0.007 0.000 2.340 75 A HA 0.389 4.710 4.320 0.001 0.000 0.268 75 A C 0.063 177.638 177.584 -0.014 0.000 1.100 75 A CA -0.309 51.727 52.037 -0.001 0.000 0.803 75 A CB 0.104 19.093 19.000 -0.017 0.000 1.043 75 A HN 0.465 nan 8.150 nan 0.000 0.488 76 K N 1.507 121.917 120.400 0.017 0.000 2.323 76 K HA 0.586 4.907 4.320 0.001 0.000 0.259 76 K C -1.282 175.283 176.600 -0.059 0.000 0.947 76 K CA -0.057 56.202 56.287 -0.046 0.000 0.819 76 K CB 1.936 34.470 32.500 0.057 0.000 1.109 76 K HN 0.629 nan 8.250 nan 0.000 0.429 77 I N 3.103 123.510 120.570 -0.270 0.000 2.377 77 I HA 0.353 4.524 4.170 0.001 0.000 0.293 77 I C -0.932 174.915 176.117 -0.451 0.000 0.987 77 I CA -1.014 60.159 61.300 -0.211 0.000 1.185 77 I CB 0.746 38.659 38.000 -0.146 0.000 1.341 77 I HN 0.438 nan 8.210 nan 0.000 0.455 78 Y N 3.238 123.341 120.300 -0.328 0.000 2.425 78 Y HA 0.279 4.830 4.550 0.001 0.000 0.344 78 Y C 0.215 176.004 175.900 -0.185 0.000 0.969 78 Y CA -1.256 56.658 58.100 -0.311 0.000 1.052 78 Y CB 1.194 39.339 38.460 -0.526 0.000 1.215 78 Y HN 0.619 nan 8.280 nan 0.000 0.451 79 D N 0.998 121.375 120.400 -0.038 0.000 2.315 79 D HA 0.024 4.665 4.640 0.001 0.000 0.275 79 D C 0.765 177.100 176.300 0.057 0.000 1.218 79 D CA -0.302 53.664 54.000 -0.057 0.000 1.040 79 D CB 0.395 41.123 40.800 -0.121 0.000 1.123 79 D HN 0.618 nan 8.370 nan 0.000 0.541 80 K N -1.543 118.877 120.400 0.034 0.000 2.525 80 K HA 0.083 4.404 4.320 0.001 0.000 0.192 80 K C 0.366 177.016 176.600 0.082 0.000 1.029 80 K CA 0.421 56.751 56.287 0.071 0.000 1.029 80 K CB -0.143 32.386 32.500 0.049 0.000 0.814 80 K HN 0.082 nan 8.250 nan 0.000 0.503 81 N N 0.229 118.977 118.700 0.079 0.000 2.184 81 N HA 0.103 4.844 4.740 0.001 0.000 0.206 81 N C 0.633 176.213 175.510 0.116 0.000 1.151 81 N CA 0.714 53.811 53.050 0.078 0.000 0.878 81 N CB 1.393 39.910 38.487 0.051 0.000 1.014 81 N HN 0.477 nan 8.380 nan 0.000 0.512 82 G N 1.197 110.108 108.800 0.184 0.000 2.199 82 G HA2 -0.312 3.649 3.960 0.001 0.000 0.254 82 G HA3 -0.312 3.649 3.960 0.001 0.000 0.254 82 G C 0.077 175.165 174.900 0.312 0.000 0.982 82 G CA 0.312 45.579 45.100 0.279 0.000 0.632 82 G HN 0.465 nan 8.290 nan 0.000 0.529 83 E N 0.173 120.478 120.200 0.176 0.000 2.373 83 E HA 0.432 4.783 4.350 0.001 0.000 0.267 83 E C 0.410 177.004 176.600 -0.009 0.000 1.032 83 E CA -0.818 55.641 56.400 0.099 0.000 0.889 83 E CB 0.413 30.126 29.700 0.022 0.000 0.984 83 E HN 0.330 nan 8.360 nan 0.000 0.425 84 L N 5.047 126.179 121.223 -0.152 0.000 2.410 84 L HA 0.027 4.368 4.340 0.001 0.000 0.273 84 L C 0.186 176.819 176.870 -0.395 0.000 1.144 84 L CA 0.362 54.877 54.840 -0.542 0.000 0.863 84 L CB 1.248 43.034 42.059 -0.455 0.000 1.140 84 L HN 0.602 nan 8.230 nan 0.000 0.463 85 V N 3.114 122.726 119.914 -0.504 0.000 2.854 85 V HA 0.312 4.433 4.120 0.001 0.000 0.236 85 V C 0.234 176.035 176.094 -0.489 0.000 1.157 85 V CA 0.353 62.341 62.300 -0.521 0.000 1.187 85 V CB 0.344 31.747 31.823 -0.700 0.000 0.949 85 V HN 0.781 nan 8.190 nan 0.000 0.488 86 K N 0.080 120.220 120.400 -0.434 0.000 2.477 86 K HA 0.587 4.907 4.320 0.001 0.000 0.255 86 K C -0.877 175.590 176.600 -0.222 0.000 0.952 86 K CA -0.093 56.038 56.287 -0.259 0.000 0.826 86 K CB 2.202 34.587 32.500 -0.192 0.000 1.331 86 K HN 0.177 nan 8.250 nan 0.000 0.437 87 T N 3.128 117.603 114.554 -0.132 0.000 2.937 87 T HA 0.456 4.807 4.350 0.001 0.000 0.297 87 T C -1.058 173.611 174.700 -0.051 0.000 0.991 87 T CA -0.798 61.240 62.100 -0.102 0.000 0.990 87 T CB 0.259 69.066 68.868 -0.102 0.000 0.991 87 T HN 0.415 nan 8.240 nan 0.000 0.440 88 L N 5.122 126.323 121.223 -0.038 0.000 2.326 88 L HA 0.665 5.005 4.340 0.001 0.000 0.278 88 L C -0.176 176.689 176.870 -0.009 0.000 1.092 88 L CA -0.295 54.535 54.840 -0.016 0.000 0.810 88 L CB 0.779 42.829 42.059 -0.014 0.000 1.153 88 L HN 0.888 nan 8.230 nan 0.000 0.439 94 H N 0.551 119.639 119.070 0.030 0.000 2.744 94 H HA 0.382 4.939 4.556 0.001 0.000 0.339 94 H C -1.186 174.170 175.328 0.046 0.000 1.004 94 H CA -0.505 55.566 56.048 0.038 0.000 1.257 94 H CB 1.477 31.270 29.762 0.052 0.000 1.552 94 H HN 0.255 nan 8.280 nan 0.000 0.522 95 E N 3.793 123.820 120.200 -0.288 0.000 2.176 95 E HA 0.090 4.440 4.350 0.001 0.000 0.267 95 E C -1.055 175.351 176.600 -0.324 0.000 0.893 95 E CA -0.947 55.353 56.400 -0.167 0.000 0.761 95 E CB 1.742 31.399 29.700 -0.073 0.000 1.133 95 E HN 0.620 nan 8.360 nan 0.000 0.409 96 H N 1.941 120.901 119.070 -0.185 0.000 2.764 96 H HA 0.304 4.861 4.556 0.001 0.000 0.341 96 H C -1.026 174.257 175.328 -0.074 0.000 1.072 96 H CA -0.175 55.814 56.048 -0.098 0.000 1.444 96 H CB 0.864 30.674 29.762 0.080 0.000 1.458 96 H HN 0.206 nan 8.280 nan 0.000 0.572 97 V N 5.537 125.086 119.914 -0.608 0.000 2.735 97 V HA 0.310 4.431 4.120 0.001 0.000 0.310 97 V C -0.889 174.957 176.094 -0.414 0.000 1.061 97 V CA -0.911 61.183 62.300 -0.344 0.000 0.913 97 V CB 1.957 33.643 31.823 -0.227 0.000 1.005 97 V HN 0.942 nan 8.190 nan 0.000 0.428 98 N N 3.276 121.903 118.700 -0.121 0.000 2.515 98 N HA 0.323 5.064 4.740 0.001 0.000 0.279 98 N C 0.581 176.051 175.510 -0.067 0.000 1.164 98 N CA -0.431 52.596 53.050 -0.039 0.000 0.982 98 N CB 1.531 40.055 38.487 0.062 0.000 1.170 98 N HN 0.689 nan 8.380 nan 0.000 0.474 99 L N 2.523 123.718 121.223 -0.047 0.000 2.201 99 L HA -0.092 4.249 4.340 0.001 0.000 0.212 99 L C 1.843 178.694 176.870 -0.033 0.000 1.105 99 L CA 1.669 56.470 54.840 -0.065 0.000 0.775 99 L CB -0.342 41.709 42.059 -0.014 0.000 0.913 99 L HN 0.642 nan 8.230 nan 0.000 0.440 100 K N -2.119 118.280 120.400 -0.002 0.000 2.217 100 K HA -0.058 4.263 4.320 0.001 0.000 0.202 100 K C 0.766 177.362 176.600 -0.008 0.000 1.051 100 K CA 1.252 57.542 56.287 0.006 0.000 0.952 100 K CB -0.312 32.200 32.500 0.019 0.000 0.736 100 K HN 0.235 nan 8.250 nan 0.000 0.453 101 D N 1.572 121.961 120.400 -0.018 0.000 2.328 101 D HA 0.039 4.680 4.640 0.001 0.000 0.226 101 D C -0.257 176.020 176.300 -0.038 0.000 1.066 101 D CA 0.216 54.204 54.000 -0.021 0.000 0.861 101 D CB 0.482 41.273 40.800 -0.015 0.000 0.912 101 D HN -0.015 nan 8.370 nan 0.000 0.521 102 V N 2.584 122.465 119.914 -0.054 0.000 2.350 102 V HA 0.204 4.325 4.120 0.001 0.000 0.276 102 V C -2.105 173.965 176.094 -0.040 0.000 1.028 102 V CA -1.880 60.380 62.300 -0.067 0.000 0.860 102 V CB 1.370 33.118 31.823 -0.124 0.000 0.990 102 V HN -0.158 nan 8.190 nan 0.000 0.453 103 P HA -0.046 nan 4.420 nan 0.000 0.261 103 P C 0.765 178.066 177.300 0.002 0.000 1.165 103 P CA 0.184 63.278 63.100 -0.009 0.000 0.759 103 P CB 0.606 32.302 31.700 -0.007 0.000 0.772 104 K N 3.560 123.965 120.400 0.009 0.000 2.059 104 K HA -0.223 4.098 4.320 0.001 0.000 0.212 104 K C 1.741 178.362 176.600 0.034 0.000 1.050 104 K CA 2.511 58.812 56.287 0.023 0.000 0.927 104 K CB -0.741 31.767 32.500 0.013 0.000 0.714 104 K HN 0.472 nan 8.250 nan 0.000 0.447 105 S N -0.325 115.391 115.700 0.025 0.000 2.423 105 S HA -0.156 4.315 4.470 0.001 0.000 0.231 105 S C 1.901 176.526 174.600 0.042 0.000 1.014 105 S CA 1.153 59.372 58.200 0.031 0.000 0.965 105 S CB -0.380 62.833 63.200 0.022 0.000 0.785 105 S HN 0.342 nan 8.310 nan 0.000 0.495 106 M N 2.472 122.093 119.600 0.035 0.000 2.077 106 M HA 0.069 4.550 4.480 0.001 0.000 0.261 106 M C 1.839 178.187 176.300 0.080 0.000 1.070 106 M CA 1.569 56.895 55.300 0.042 0.000 1.125 106 M CB -0.702 31.906 32.600 0.013 0.000 1.339 106 M HN 0.159 nan 8.290 nan 0.000 0.409 107 K N -0.151 120.302 120.400 0.088 0.000 2.063 107 K HA -0.184 4.137 4.320 0.001 0.000 0.208 107 K C 1.722 178.471 176.600 0.247 0.000 1.048 107 K CA 1.635 58.055 56.287 0.222 0.000 0.928 107 K CB -0.572 32.065 32.500 0.229 0.000 0.713 107 K HN 0.369 nan 8.250 nan 0.000 0.442 108 D N 0.758 121.239 120.400 0.134 0.000 2.123 108 D HA -0.148 4.493 4.640 0.001 0.000 0.196 108 D C 1.860 178.202 176.300 0.069 0.000 0.992 108 D CA 1.412 55.460 54.000 0.080 0.000 0.833 108 D CB -0.213 40.614 40.800 0.044 0.000 0.954 108 D HN 0.229 nan 8.370 nan 0.000 0.455 109 A N 0.511 123.377 122.820 0.078 0.000 1.845 109 A HA -0.158 4.162 4.320 0.001 0.000 0.215 109 A C 2.556 180.187 177.584 0.078 0.000 1.195 109 A CA 1.715 53.794 52.037 0.070 0.000 0.616 109 A CB -0.968 18.075 19.000 0.071 0.000 0.832 109 A HN 0.122 nan 8.150 nan 0.000 0.443 110 V N 0.470 120.457 119.914 0.121 0.000 2.215 110 V HA -0.368 3.752 4.120 0.001 0.000 0.249 110 V C 2.600 178.703 176.094 0.016 0.000 1.054 110 V CA 2.370 64.747 62.300 0.129 0.000 1.012 110 V CB -1.175 30.811 31.823 0.271 0.000 0.639 110 V HN 0.597 nan 8.190 nan 0.000 0.448 111 L N 0.115 121.335 121.223 -0.006 0.000 1.978 111 L HA -0.282 4.059 4.340 0.001 0.000 0.218 111 L C 2.786 179.592 176.870 -0.107 0.000 1.075 111 L CA 2.054 56.812 54.840 -0.138 0.000 0.767 111 L CB -1.097 40.891 42.059 -0.118 0.000 0.890 111 L HN 0.427 nan 8.230 nan 0.000 0.434 112 A N -0.806 121.987 122.820 -0.046 0.000 1.997 112 A HA -0.297 4.024 4.320 0.001 0.000 0.221 112 A C 2.416 180.045 177.584 0.075 0.000 1.172 112 A CA 2.698 54.743 52.037 0.014 0.000 0.645 112 A CB -0.874 18.171 19.000 0.074 0.000 0.813 112 A HN 0.558 nan 8.150 nan 0.000 0.454 113 T N -3.059 111.514 114.554 0.032 0.000 3.031 113 T HA 0.047 4.398 4.350 0.001 0.000 0.254 113 T C 1.669 176.372 174.700 0.004 0.000 1.060 113 T CA 1.252 63.376 62.100 0.039 0.000 1.135 113 T CB -0.066 68.822 68.868 0.033 0.000 0.896 113 T HN 0.379 nan 8.240 nan 0.000 0.472 114 E N 0.620 120.785 120.200 -0.058 0.000 2.206 114 E HA 0.168 4.519 4.350 0.001 0.000 0.195 114 E C 0.005 176.523 176.600 -0.137 0.000 0.935 114 E CA 0.585 56.923 56.400 -0.103 0.000 0.875 114 E CB 0.393 29.971 29.700 -0.204 0.000 0.841 114 E HN 0.486 nan 8.360 nan 0.000 0.477 115 D N -0.176 120.110 120.400 -0.190 0.000 2.881 115 D HA 0.044 4.685 4.640 0.001 0.000 0.238 115 D C 0.162 176.330 176.300 -0.219 0.000 1.368 115 D CA -0.085 53.798 54.000 -0.195 0.000 0.871 115 D CB -0.625 40.075 40.800 -0.167 0.000 1.516 115 D HN -0.042 nan 8.370 nan 0.000 0.544 116 N N 1.121 119.659 118.700 -0.269 0.000 2.043 116 N HA -0.161 4.580 4.740 0.001 0.000 0.193 116 N C 1.013 176.375 175.510 -0.246 0.000 1.037 116 N CA 0.895 53.747 53.050 -0.330 0.000 0.851 116 N CB 0.229 38.314 38.487 -0.671 0.000 1.027 116 N HN 0.197 nan 8.380 nan 0.000 0.422 117 R N -0.027 120.288 120.500 -0.308 0.000 2.325 117 R HA -0.001 4.340 4.340 0.001 0.000 0.214 117 R C 1.266 177.415 176.300 -0.252 0.000 0.961 117 R CA -0.142 55.797 56.100 -0.268 0.000 1.086 117 R CB -0.440 29.676 30.300 -0.306 0.000 1.037 117 R HN 0.379 nan 8.270 nan 0.000 0.493 118 F N 0.520 120.272 119.950 -0.330 0.000 2.176 118 F HA -0.321 4.207 4.527 0.001 0.000 0.301 118 F C 1.058 176.831 175.800 -0.046 0.000 1.071 118 F CA 1.582 59.532 58.000 -0.084 0.000 1.289 118 F CB -0.055 38.764 39.000 -0.302 0.000 1.028 118 F HN 0.029 nan 8.300 nan 0.000 0.494 119 Y N 0.276 120.415 120.300 -0.268 0.000 2.546 119 Y HA 0.037 4.587 4.550 0.001 0.000 0.287 119 Y C 1.965 177.740 175.900 -0.209 0.000 1.158 119 Y CA 0.850 58.740 58.100 -0.350 0.000 1.307 119 Y CB -0.111 38.251 38.460 -0.164 0.000 1.036 119 Y HN 0.238 nan 8.280 nan 0.000 0.532 120 E N -1.074 119.132 120.200 0.009 0.000 2.121 120 E HA -0.095 4.256 4.350 0.001 0.000 0.194 120 E C 1.720 178.354 176.600 0.057 0.000 0.940 120 E CA 0.602 57.016 56.400 0.024 0.000 0.884 120 E CB -0.349 29.359 29.700 0.013 0.000 0.874 120 E HN 0.467 nan 8.360 nan 0.000 0.471 121 H N 1.046 120.033 119.070 -0.138 0.000 2.568 121 H HA 0.102 4.659 4.556 0.001 0.000 0.281 121 H C 0.955 176.213 175.328 -0.118 0.000 1.028 121 H CA 1.105 57.092 56.048 -0.102 0.000 1.199 121 H CB -0.915 28.785 29.762 -0.104 0.000 1.352 121 H HN 0.276 nan 8.280 nan 0.000 0.605 122 G N 0.104 108.676 108.800 -0.381 0.000 2.601 122 G HA2 -0.283 3.678 3.960 0.001 0.000 0.252 122 G HA3 -0.283 3.678 3.960 0.001 0.000 0.252 122 G C 1.276 175.833 174.900 -0.572 0.000 1.294 122 G CA 1.477 46.343 45.100 -0.389 0.000 0.912 122 G HN 0.917 nan 8.290 nan 0.000 0.574 123 A N -0.641 121.976 122.820 -0.339 0.000 1.851 123 A HA 0.313 4.634 4.320 0.001 0.000 0.216 123 A C 1.620 178.988 177.584 -0.361 0.000 1.195 123 A CA 1.902 53.763 52.037 -0.294 0.000 0.622 123 A CB -0.410 18.512 19.000 -0.129 0.000 0.831 123 A HN 1.053 nan 8.150 nan 0.000 0.444 124 L N -0.094 120.891 121.223 -0.396 0.000 2.360 124 L HA 0.310 4.651 4.340 0.001 0.000 0.271 124 L C -0.686 175.843 176.870 -0.568 0.000 1.057 124 L CA -0.676 53.847 54.840 -0.528 0.000 0.803 124 L CB 0.993 42.597 42.059 -0.758 0.000 1.207 124 L HN 0.229 nan 8.230 nan 0.000 0.445 125 D N 0.712 120.949 120.400 -0.272 0.000 2.456 125 D HA 0.107 4.748 4.640 0.001 0.000 0.219 125 D C 0.390 176.563 176.300 -0.212 0.000 1.126 125 D CA -0.190 53.813 54.000 0.006 0.000 0.890 125 D CB 0.664 41.560 40.800 0.159 0.000 1.025 125 D HN 0.255 nan 8.370 nan 0.000 0.511 126 Y N 2.521 122.835 120.300 0.022 0.000 2.373 126 Y HA -0.030 4.521 4.550 0.001 0.000 0.293 126 Y C 2.169 178.069 175.900 -0.001 0.000 1.129 126 Y CA 0.761 58.825 58.100 -0.060 0.000 1.226 126 Y CB 0.088 38.552 38.460 0.008 0.000 1.000 126 Y HN 0.326 nan 8.280 nan 0.000 0.549 127 K N -0.190 120.317 120.400 0.179 0.000 2.031 127 K HA -0.119 4.202 4.320 0.001 0.000 0.205 127 K C 2.228 178.887 176.600 0.098 0.000 1.049 127 K CA 0.914 57.296 56.287 0.157 0.000 0.939 127 K CB -0.188 32.375 32.500 0.105 0.000 0.717 127 K HN 0.137 nan 8.250 nan 0.000 0.438 128 R N 1.030 121.549 120.500 0.031 0.000 2.115 128 R HA -0.197 4.144 4.340 0.001 0.000 0.239 128 R C 2.487 178.786 176.300 -0.002 0.000 1.133 128 R CA 1.737 57.842 56.100 0.008 0.000 0.935 128 R CB -0.741 29.544 30.300 -0.026 0.000 0.853 128 R HN 0.166 nan 8.270 nan 0.000 0.433 129 L N 0.536 121.713 121.223 -0.077 0.000 2.013 129 L HA -0.107 4.234 4.340 0.001 0.000 0.212 129 L C 0.800 177.603 176.870 -0.111 0.000 1.073 129 L CA 1.655 56.398 54.840 -0.161 0.000 0.753 129 L CB -0.543 41.325 42.059 -0.318 0.000 0.890 129 L HN -0.025 nan 8.230 nan 0.000 0.432 147 S N -1.951 113.743 115.700 -0.011 0.000 3.359 147 S HA 0.753 5.224 4.470 0.001 0.000 0.323 147 S C -0.989 173.608 174.600 -0.006 0.000 1.143 147 S CA 0.705 58.896 58.200 -0.014 0.000 0.989 147 S CB 1.443 64.639 63.200 -0.006 0.000 1.375 147 S HN 1.818 nan 8.310 nan 0.000 0.728 148 T N 0.651 115.206 114.554 0.003 0.000 3.012 148 T HA 0.403 4.753 4.350 0.001 0.000 0.330 148 T C 0.889 175.586 174.700 -0.004 0.000 1.321 148 T CA -0.591 61.545 62.100 0.059 0.000 1.067 148 T CB 0.522 69.472 68.868 0.138 0.000 1.235 148 T HN 0.410 nan 8.240 nan 0.000 0.479 149 L N 2.369 123.547 121.223 -0.074 0.000 2.021 149 L HA -0.170 4.171 4.340 0.001 0.000 0.215 149 L C 2.796 179.638 176.870 -0.047 0.000 1.074 149 L CA 2.412 57.096 54.840 -0.260 0.000 0.760 149 L CB -1.049 40.545 42.059 -0.776 0.000 0.889 149 L HN 0.806 nan 8.230 nan 0.000 0.433 150 T N -1.222 113.367 114.554 0.059 0.000 2.635 150 T HA -0.337 4.014 4.350 0.001 0.000 0.267 150 T C 1.796 176.497 174.700 0.002 0.000 1.040 150 T CA 1.847 63.973 62.100 0.043 0.000 1.156 150 T CB -0.281 68.583 68.868 -0.007 0.000 0.863 150 T HN 0.359 nan 8.240 nan 0.000 0.430 151 Q N 0.284 120.072 119.800 -0.020 0.000 2.077 151 Q HA -0.210 4.131 4.340 0.001 0.000 0.206 151 Q C 2.520 178.511 176.000 -0.015 0.000 0.989 151 Q CA 1.411 57.192 55.803 -0.037 0.000 0.853 151 Q CB -0.055 28.658 28.738 -0.042 0.000 0.907 151 Q HN 0.478 nan 8.270 nan 0.000 0.418 152 Q N -0.310 119.504 119.800 0.023 0.000 2.002 152 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 152 Q C 2.308 178.354 176.000 0.077 0.000 0.988 152 Q CA 1.662 57.508 55.803 0.072 0.000 0.843 152 Q CB -0.762 28.073 28.738 0.162 0.000 0.908 152 Q HN 0.325 nan 8.270 nan 0.000 0.420 153 V N 0.830 120.806 119.914 0.103 0.000 2.313 153 V HA -0.271 3.850 4.120 0.001 0.000 0.253 153 V C 2.492 178.607 176.094 0.034 0.000 1.070 153 V CA 1.799 64.147 62.300 0.080 0.000 1.057 153 V CB -0.602 31.270 31.823 0.082 0.000 0.653 153 V HN 0.126 nan 8.190 nan 0.000 0.450 154 V N -0.597 119.314 119.914 -0.006 0.000 2.302 154 V HA -0.216 3.905 4.120 0.001 0.000 0.243 154 V C 2.364 178.400 176.094 -0.097 0.000 1.036 154 V CA 2.123 64.383 62.300 -0.066 0.000 1.020 154 V CB -0.673 31.069 31.823 -0.136 0.000 0.657 154 V HN 0.545 nan 8.190 nan 0.000 0.453 155 K N 0.314 120.657 120.400 -0.095 0.000 2.144 155 K HA -0.349 3.972 4.320 0.001 0.000 0.209 155 K C 1.864 178.505 176.600 0.068 0.000 1.047 155 K CA 2.554 58.814 56.287 -0.044 0.000 0.927 155 K CB -0.366 32.128 32.500 -0.010 0.000 0.716 155 K HN 0.585 nan 8.250 nan 0.000 0.454 156 D N -0.346 120.090 120.400 0.060 0.000 2.097 156 D HA -0.124 4.517 4.640 0.001 0.000 0.195 156 D C 1.639 178.007 176.300 0.114 0.000 0.989 156 D CA 1.710 55.756 54.000 0.076 0.000 0.827 156 D CB -0.111 40.718 40.800 0.048 0.000 0.966 156 D HN 0.324 nan 8.370 nan 0.000 0.456 157 A N -0.868 122.029 122.820 0.128 0.000 2.119 157 A HA 0.069 4.390 4.320 0.001 0.000 0.217 157 A C 0.910 178.660 177.584 0.276 0.000 1.153 157 A CA -0.056 52.079 52.037 0.163 0.000 0.692 157 A CB -0.757 18.328 19.000 0.141 0.000 0.799 157 A HN 0.325 nan 8.150 nan 0.000 0.458 158 F N -0.536 119.438 119.950 0.040 0.000 2.450 158 F HA 0.241 4.769 4.527 0.001 0.000 0.339 158 F C 1.231 177.051 175.800 0.034 0.000 1.146 158 F CA -0.254 57.768 58.000 0.036 0.000 1.267 158 F CB 0.750 39.770 39.000 0.033 0.000 1.178 158 F HN 0.037 nan 8.300 nan 0.000 0.585 159 L N 1.004 122.252 121.223 0.041 0.000 2.675 159 L HA 0.066 4.407 4.340 0.001 0.000 0.178 159 L C 1.129 177.963 176.870 -0.060 0.000 1.135 159 L CA 0.082 54.938 54.840 0.025 0.000 0.855 159 L CB -0.472 41.607 42.059 0.034 0.000 1.235 159 L HN 0.621 nan 8.230 nan 0.000 0.499 160 S N 0.043 115.668 115.700 -0.126 0.000 2.612 160 S HA 0.058 4.529 4.470 0.001 0.000 0.253 160 S C 0.082 174.633 174.600 -0.083 0.000 1.346 160 S CA -0.272 57.827 58.200 -0.168 0.000 0.976 160 S CB 0.573 63.709 63.200 -0.107 0.000 0.949 160 S HN 0.147 nan 8.310 nan 0.000 0.584 161 Q N 1.495 121.221 119.800 -0.124 0.000 2.381 161 Q HA 0.445 4.786 4.340 0.001 0.000 0.263 161 Q C -1.583 174.323 176.000 -0.156 0.000 1.030 161 Q CA -0.085 55.657 55.803 -0.102 0.000 0.772 161 Q CB 1.175 29.811 28.738 -0.171 0.000 1.232 161 Q HN 0.825 nan 8.270 nan 0.000 0.476 162 H N 0.389 119.444 119.070 -0.024 0.000 2.768 162 H HA 0.364 4.921 4.556 0.001 0.000 0.371 162 H C 0.194 175.527 175.328 0.009 0.000 1.151 162 H CA -0.559 55.483 56.048 -0.011 0.000 1.165 162 H CB 1.598 31.360 29.762 -0.000 0.000 1.722 162 H HN 0.218 nan 8.280 nan 0.000 0.543 163 K N 1.207 121.666 120.400 0.098 0.000 2.372 163 K HA 0.181 4.501 4.320 0.001 0.000 0.200 163 K C -0.068 176.574 176.600 0.070 0.000 1.022 163 K CA -0.059 56.264 56.287 0.060 0.000 1.125 163 K CB 0.595 33.107 32.500 0.020 0.000 0.855 163 K HN 0.442 nan 8.250 nan 0.000 0.524 164 S N 1.343 117.105 115.700 0.104 0.000 2.566 164 S HA 0.053 4.524 4.470 0.001 0.000 0.280 164 S C 1.470 176.100 174.600 0.049 0.000 1.343 164 S CA -0.150 58.095 58.200 0.075 0.000 1.036 164 S CB 0.711 63.955 63.200 0.073 0.000 0.866 164 S HN 0.141 nan 8.310 nan 0.000 0.526 165 I N 1.371 121.962 120.570 0.035 0.000 2.876 165 I HA 0.003 4.174 4.170 0.001 0.000 0.264 165 I C 2.308 178.438 176.117 0.022 0.000 1.204 165 I CA 0.692 62.007 61.300 0.025 0.000 1.485 165 I CB -0.495 37.518 38.000 0.021 0.000 1.103 165 I HN 0.861 nan 8.210 nan 0.000 0.446 166 G N 1.091 109.903 108.800 0.021 0.000 2.408 166 G HA2 -0.212 3.748 3.960 0.001 0.000 0.215 166 G HA3 -0.212 3.748 3.960 0.001 0.000 0.215 166 G C 1.701 176.613 174.900 0.019 0.000 1.156 166 G CA 0.528 45.634 45.100 0.010 0.000 0.793 166 G HN 0.413 nan 8.290 nan 0.000 0.535 167 R N -0.526 119.997 120.500 0.038 0.000 2.308 167 R HA 0.370 4.711 4.340 0.001 0.000 0.202 167 R C 1.869 178.214 176.300 0.077 0.000 0.898 167 R CA 0.271 56.415 56.100 0.074 0.000 1.046 167 R CB -0.039 30.313 30.300 0.087 0.000 1.026 167 R HN 0.009 nan 8.270 nan 0.000 0.512 168 K N 0.902 121.330 120.400 0.046 0.000 2.217 168 K HA 0.172 4.493 4.320 0.001 0.000 0.202 168 K C 1.770 178.373 176.600 0.005 0.000 1.051 168 K CA 1.284 57.581 56.287 0.017 0.000 0.952 168 K CB -0.063 32.445 32.500 0.015 0.000 0.736 168 K HN 0.346 nan 8.250 nan 0.000 0.453 169 A N 0.485 123.318 122.820 0.021 0.000 1.968 169 A HA -0.145 4.176 4.320 0.001 0.000 0.217 169 A C 1.871 179.488 177.584 0.056 0.000 1.169 169 A CA 1.031 53.086 52.037 0.030 0.000 0.638 169 A CB -0.279 18.735 19.000 0.024 0.000 0.812 169 A HN 0.331 nan 8.150 nan 0.000 0.446 170 Q N -0.272 119.561 119.800 0.055 0.000 2.167 170 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 170 Q C 1.779 177.781 176.000 0.003 0.000 0.970 170 Q CA 1.384 57.242 55.803 0.093 0.000 0.855 170 Q CB -0.156 28.681 28.738 0.165 0.000 0.911 170 Q HN 0.757 nan 8.270 nan 0.000 0.438 171 E N 1.078 121.208 120.200 -0.116 0.000 2.017 171 E HA -0.193 4.158 4.350 0.001 0.000 0.193 171 E C 2.117 178.666 176.600 -0.085 0.000 0.997 171 E CA 0.945 57.213 56.400 -0.220 0.000 0.804 171 E CB -0.201 29.383 29.700 -0.193 0.000 0.757 171 E HN 0.343 nan 8.360 nan 0.000 0.448 172 A N 1.075 123.881 122.820 -0.025 0.000 1.903 172 A HA -0.275 4.046 4.320 0.001 0.000 0.219 172 A C 2.111 179.736 177.584 0.068 0.000 1.191 172 A CA 1.980 54.022 52.037 0.009 0.000 0.638 172 A CB -1.036 17.977 19.000 0.023 0.000 0.823 172 A HN 0.477 nan 8.150 nan 0.000 0.451 173 Y N -0.337 119.961 120.300 -0.003 0.000 2.163 173 Y HA -0.127 4.424 4.550 0.002 0.000 0.288 173 Y C 1.964 177.915 175.900 0.086 0.000 1.136 173 Y CA 1.702 59.827 58.100 0.041 0.000 1.147 173 Y CB -0.260 38.209 38.460 0.015 0.000 0.987 173 Y HN 0.191 nan 8.280 nan 0.000 0.509 174 L N -0.034 121.231 121.223 0.070 0.000 2.046 174 L HA -0.219 4.122 4.340 0.001 0.000 0.208 174 L C 2.566 179.381 176.870 -0.091 0.000 1.077 174 L CA 1.964 56.785 54.840 -0.030 0.000 0.747 174 L CB -1.358 40.692 42.059 -0.016 0.000 0.896 174 L HN 0.204 nan 8.230 nan 0.000 0.432 175 S N -1.640 114.017 115.700 -0.072 0.000 2.359 175 S HA -0.268 4.203 4.470 0.001 0.000 0.224 175 S C 1.906 176.458 174.600 -0.081 0.000 1.035 175 S CA 1.456 59.615 58.200 -0.070 0.000 1.018 175 S CB -0.624 62.535 63.200 -0.068 0.000 0.876 175 S HN 0.504 nan 8.310 nan 0.000 0.448 176 Y N 2.691 122.874 120.300 -0.194 0.000 2.070 176 Y HA -0.217 4.334 4.550 0.002 0.000 0.280 176 Y C 2.603 178.362 175.900 -0.235 0.000 1.148 176 Y CA 1.715 59.690 58.100 -0.208 0.000 1.125 176 Y CB -0.236 38.092 38.460 -0.221 0.000 0.975 176 Y HN -0.023 nan 8.280 nan 0.000 0.492 177 R N 0.781 121.116 120.500 -0.276 0.000 2.096 177 R HA -0.225 4.115 4.340 0.001 0.000 0.240 177 R C 2.497 178.656 176.300 -0.235 0.000 1.139 177 R CA 1.787 57.707 56.100 -0.300 0.000 0.952 177 R CB -1.347 28.788 30.300 -0.274 0.000 0.854 177 R HN 0.558 nan 8.270 nan 0.000 0.436 178 L N 1.060 122.203 121.223 -0.133 0.000 2.079 178 L HA -0.161 4.180 4.340 0.001 0.000 0.210 178 L C 1.864 178.706 176.870 -0.046 0.000 1.081 178 L CA 1.614 56.452 54.840 -0.004 0.000 0.752 178 L CB -0.247 41.831 42.059 0.031 0.000 0.896 178 L HN 0.193 nan 8.230 nan 0.000 0.433 179 E N -0.495 119.600 120.200 -0.176 0.000 2.347 179 E HA -0.165 4.186 4.350 0.001 0.000 0.196 179 E C 2.021 178.449 176.600 -0.286 0.000 1.008 179 E CA 0.553 56.822 56.400 -0.218 0.000 0.852 179 E CB 0.202 29.736 29.700 -0.276 0.000 0.783 179 E HN 0.584 nan 8.360 nan 0.000 0.505 180 Q N -0.099 119.475 119.800 -0.376 0.000 2.250 180 Q HA 0.010 4.351 4.340 0.001 0.000 0.200 180 Q C 1.645 177.492 176.000 -0.256 0.000 0.941 180 Q CA 0.604 56.195 55.803 -0.354 0.000 0.872 180 Q CB 0.287 28.761 28.738 -0.440 0.000 0.965 180 Q HN 0.383 nan 8.270 nan 0.000 0.480 181 E N -0.892 119.146 120.200 -0.270 0.000 2.075 181 E HA -0.005 4.345 4.350 0.001 0.000 0.190 181 E C -0.255 176.030 176.600 -0.524 0.000 0.969 181 E CA 0.449 56.594 56.400 -0.423 0.000 0.815 181 E CB 0.396 29.771 29.700 -0.543 0.000 0.776 181 E HN 0.179 nan 8.360 nan 0.000 0.457 182 Y N 0.473 120.735 120.300 -0.064 0.000 2.409 182 Y HA 0.198 4.749 4.550 0.001 0.000 0.339 182 Y C 0.533 176.407 175.900 -0.043 0.000 1.033 182 Y CA -1.220 56.861 58.100 -0.031 0.000 1.094 182 Y CB 1.600 40.059 38.460 -0.002 0.000 1.210 182 Y HN -0.105 nan 8.280 nan 0.000 0.456 183 S N 1.854 117.640 115.700 0.143 0.000 2.587 183 S HA 0.080 4.551 4.470 0.001 0.000 0.260 183 S C 1.045 175.683 174.600 0.064 0.000 1.353 183 S CA -0.665 57.576 58.200 0.068 0.000 0.995 183 S CB 0.826 64.078 63.200 0.086 0.000 0.912 183 S HN 0.682 nan 8.310 nan 0.000 0.568 184 K N 0.702 121.080 120.400 -0.037 0.000 2.147 184 K HA -0.099 4.222 4.320 0.001 0.000 0.205 184 K C 1.379 178.068 176.600 0.148 0.000 1.049 184 K CA 1.404 57.597 56.287 -0.157 0.000 0.936 184 K CB -0.662 31.454 32.500 -0.639 0.000 0.722 184 K HN 0.647 nan 8.250 nan 0.000 0.446 185 D N 1.183 121.716 120.400 0.222 0.000 2.097 185 D HA -0.118 4.523 4.640 0.001 0.000 0.197 185 D C 1.461 177.912 176.300 0.252 0.000 0.984 185 D CA 0.973 55.170 54.000 0.328 0.000 0.826 185 D CB -0.188 40.775 40.800 0.272 0.000 0.973 185 D HN 0.108 nan 8.370 nan 0.000 0.460 186 D N 0.454 120.966 120.400 0.186 0.000 2.116 186 D HA -0.139 4.502 4.640 0.001 0.000 0.193 186 D C 2.265 178.626 176.300 0.103 0.000 0.998 186 D CA 0.618 54.693 54.000 0.125 0.000 0.836 186 D CB -0.291 40.598 40.800 0.149 0.000 0.951 186 D HN 0.290 nan 8.370 nan 0.000 0.449 187 I N 0.033 120.702 120.570 0.166 0.000 2.202 187 I HA -0.231 3.939 4.170 0.001 0.000 0.242 187 I C 2.282 178.535 176.117 0.227 0.000 1.091 187 I CA 0.622 62.026 61.300 0.173 0.000 1.368 187 I CB -0.302 37.834 38.000 0.227 0.000 1.058 187 I HN -0.076 nan 8.210 nan 0.000 0.410 188 F N 1.990 121.982 119.950 0.070 0.000 2.171 188 F HA -0.254 4.274 4.527 0.001 0.000 0.300 188 F C 2.629 178.449 175.800 0.034 0.000 1.090 188 F CA 1.829 59.783 58.000 -0.076 0.000 1.293 188 F CB -0.797 38.220 39.000 0.029 0.000 1.013 188 F HN 0.143 nan 8.300 nan 0.000 0.486 189 Q N -0.135 119.737 119.800 0.120 0.000 2.016 189 Q HA -0.139 4.202 4.340 0.001 0.000 0.200 189 Q C 2.155 178.157 176.000 0.003 0.000 0.978 189 Q CA 2.255 58.043 55.803 -0.025 0.000 0.833 189 Q CB -0.318 28.418 28.738 -0.003 0.000 0.895 189 Q HN 0.218 nan 8.270 nan 0.000 0.427 190 V N 0.713 120.654 119.914 0.045 0.000 2.380 190 V HA -0.297 3.824 4.120 0.001 0.000 0.251 190 V C 2.065 178.203 176.094 0.073 0.000 1.063 190 V CA 2.177 64.501 62.300 0.039 0.000 1.055 190 V CB -0.921 30.907 31.823 0.010 0.000 0.657 190 V HN 0.507 nan 8.190 nan 0.000 0.455 191 Y N 0.431 120.733 120.300 0.002 0.000 2.145 191 Y HA -0.198 4.353 4.550 0.001 0.000 0.286 191 Y C 2.185 178.085 175.900 0.001 0.000 1.145 191 Y CA 1.713 59.817 58.100 0.006 0.000 1.148 191 Y CB -0.122 38.356 38.460 0.031 0.000 0.981 191 Y HN 0.158 nan 8.280 nan 0.000 0.507 192 L N 0.298 121.568 121.223 0.078 0.000 2.465 192 L HA -0.135 4.206 4.340 0.001 0.000 0.224 192 L C 1.255 178.085 176.870 -0.067 0.000 1.145 192 L CA 0.672 55.499 54.840 -0.021 0.000 0.834 192 L CB -0.396 41.588 42.059 -0.125 0.000 0.944 192 L HN 0.291 nan 8.230 nan 0.000 0.451 193 N N -0.598 118.067 118.700 -0.059 0.000 2.250 193 N HA 0.031 4.772 4.740 0.001 0.000 0.190 193 N C 1.276 176.856 175.510 0.115 0.000 1.116 193 N CA 0.541 53.577 53.050 -0.023 0.000 0.881 193 N CB 0.628 39.108 38.487 -0.010 0.000 1.006 193 N HN 0.253 nan 8.380 nan 0.000 0.491 194 K N 0.101 120.523 120.400 0.036 0.000 2.491 194 K HA 0.249 4.570 4.320 0.001 0.000 0.211 194 K C 0.349 176.940 176.600 -0.015 0.000 1.210 194 K CA -0.092 56.231 56.287 0.061 0.000 1.003 194 K CB 1.233 33.758 32.500 0.042 0.000 1.009 194 K HN 0.105 nan 8.250 nan 0.000 0.577 195 I N -1.223 119.236 120.570 -0.185 0.000 2.720 195 I HA 0.170 4.341 4.170 0.001 0.000 0.287 195 I C -0.080 175.914 176.117 -0.204 0.000 1.090 195 I CA -0.635 60.486 61.300 -0.297 0.000 1.384 195 I CB 0.292 37.871 38.000 -0.702 0.000 1.420 195 I HN -0.111 nan 8.210 nan 0.000 0.575 196 Y N 4.550 124.682 120.300 -0.279 0.000 2.304 196 Y HA 0.263 4.814 4.550 0.001 0.000 0.328 196 Y C -0.397 175.331 175.900 -0.287 0.000 1.123 196 Y CA -0.124 57.879 58.100 -0.162 0.000 1.218 196 Y CB 0.788 39.200 38.460 -0.079 0.000 1.207 196 Y HN 0.587 nan 8.280 nan 0.000 0.495 197 Y N 3.354 123.302 120.300 -0.585 0.000 2.612 197 Y HA 0.247 4.797 4.550 0.001 0.000 0.250 197 Y C 0.639 176.240 175.900 -0.498 0.000 1.175 197 Y CA 0.420 58.273 58.100 -0.412 0.000 1.205 197 Y CB 0.302 38.623 38.460 -0.232 0.000 1.201 197 Y HN 0.775 nan 8.280 nan 0.000 0.532 198 S N 0.294 115.346 115.700 -1.080 0.000 3.998 198 S HA -0.205 4.266 4.470 0.001 0.000 0.668 198 S C -0.309 174.061 174.600 -0.382 0.000 1.288 198 S CA 0.041 57.892 58.200 -0.582 0.000 1.411 198 S CB -0.841 62.367 63.200 0.012 0.000 0.368 198 S HN 0.659 nan 8.310 nan 0.000 1.206 199 D N 0.366 120.735 120.400 -0.051 0.000 2.782 199 D HA -0.141 4.500 4.640 0.001 0.000 0.231 199 D C 0.933 177.154 176.300 -0.132 0.000 1.163 199 D CA 3.005 56.971 54.000 -0.057 0.000 0.680 199 D CB -1.906 38.832 40.800 -0.102 0.000 1.062 199 D HN 2.041 nan 8.370 nan 0.000 0.425 200 G N -1.929 106.901 108.800 0.049 0.000 2.198 200 G HA2 -0.246 3.715 3.960 0.001 0.000 0.257 200 G HA3 -0.246 3.715 3.960 0.001 0.000 0.257 200 G C 0.233 175.131 174.900 -0.004 0.000 1.042 200 G CA 0.180 45.380 45.100 0.166 0.000 0.791 200 G HN 0.623 nan 8.290 nan 0.000 0.502 201 V N 1.261 121.039 119.914 -0.227 0.000 2.394 201 V HA 0.763 4.884 4.120 0.001 0.000 0.282 201 V C 0.574 176.673 176.094 0.009 0.000 1.031 201 V CA 0.186 62.389 62.300 -0.163 0.000 0.881 201 V CB 1.660 33.315 31.823 -0.279 0.000 0.982 201 V HN 0.817 nan 8.190 nan 0.000 0.451 202 T N 0.641 115.288 114.554 0.156 0.000 2.840 202 T HA 0.784 5.135 4.350 0.001 0.000 0.287 202 T C -0.070 174.752 174.700 0.204 0.000 0.991 202 T CA -0.169 62.087 62.100 0.259 0.000 0.964 202 T CB 1.232 70.280 68.868 0.299 0.000 0.954 202 T HN 1.849 nan 8.240 nan 0.000 0.438 203 G N 2.523 111.487 108.800 0.272 0.000 3.367 203 G HA2 0.011 3.971 3.960 0.001 0.000 0.686 203 G HA3 0.011 3.971 3.960 0.001 0.000 0.686 203 G C 0.151 174.971 174.900 -0.133 0.000 1.146 203 G CA -0.342 44.797 45.100 0.066 0.000 0.913 203 G HN 0.978 nan 8.290 nan 0.000 0.554 204 I N 1.689 122.179 120.570 -0.133 0.000 2.315 204 I HA -0.152 4.019 4.170 0.001 0.000 0.251 204 I C 2.588 178.541 176.117 -0.273 0.000 1.125 204 I CA 2.846 63.916 61.300 -0.384 0.000 1.392 204 I CB -0.108 37.825 38.000 -0.111 0.000 1.065 204 I HN 0.769 nan 8.210 nan 0.000 0.424 205 K N 1.047 121.329 120.400 -0.196 0.000 2.032 205 K HA -0.132 4.188 4.320 0.001 0.000 0.209 205 K C 1.991 178.520 176.600 -0.118 0.000 1.048 205 K CA 2.059 58.259 56.287 -0.145 0.000 0.927 205 K CB -0.610 31.796 32.500 -0.157 0.000 0.712 205 K HN 0.351 nan 8.250 nan 0.000 0.441 206 A N 0.159 122.890 122.820 -0.148 0.000 2.016 206 A HA 0.189 4.510 4.320 0.001 0.000 0.217 206 A C 2.265 179.815 177.584 -0.056 0.000 1.162 206 A CA 1.264 53.254 52.037 -0.079 0.000 0.662 206 A CB -0.705 18.247 19.000 -0.079 0.000 0.812 206 A HN 0.447 nan 8.150 nan 0.000 0.450 207 A N -0.295 122.398 122.820 -0.211 0.000 2.067 207 A HA 0.255 4.576 4.320 0.001 0.000 0.219 207 A C 2.277 179.872 177.584 0.019 0.000 1.158 207 A CA 1.781 53.675 52.037 -0.238 0.000 0.661 207 A CB -0.532 17.847 19.000 -1.036 0.000 0.801 207 A HN 0.849 nan 8.150 nan 0.000 0.452 208 A N -0.143 122.678 122.820 0.002 0.000 1.887 208 A HA 0.097 4.418 4.320 0.001 0.000 0.212 208 A C 1.973 179.657 177.584 0.168 0.000 1.198 208 A CA 1.659 53.784 52.037 0.147 0.000 0.628 208 A CB -0.319 18.740 19.000 0.098 0.000 0.847 208 A HN 0.371 nan 8.150 nan 0.000 0.449 209 K N -0.871 119.588 120.400 0.099 0.000 2.211 209 K HA -0.190 4.131 4.320 0.001 0.000 0.204 209 K C 1.556 178.214 176.600 0.096 0.000 1.047 209 K CA 1.874 58.213 56.287 0.087 0.000 0.935 209 K CB -0.647 31.886 32.500 0.056 0.000 0.728 209 K HN 0.587 nan 8.250 nan 0.000 0.452 210 Y N -0.828 119.462 120.300 -0.016 0.000 2.159 210 Y HA -0.108 4.443 4.550 0.001 0.000 0.285 210 Y C 1.580 177.385 175.900 -0.159 0.000 1.106 210 Y CA 1.594 59.641 58.100 -0.087 0.000 1.095 210 Y CB -0.397 37.986 38.460 -0.129 0.000 1.015 210 Y HN 0.042 nan 8.280 nan 0.000 0.491 211 Y N -1.185 119.045 120.300 -0.118 0.000 2.293 211 Y HA -0.144 4.407 4.550 0.001 0.000 0.291 211 Y C 1.365 176.817 175.900 -0.746 0.000 1.137 211 Y CA 1.936 59.694 58.100 -0.570 0.000 1.202 211 Y CB -0.196 37.767 38.460 -0.827 0.000 0.990 211 Y HN 0.173 nan 8.280 nan 0.000 0.537 212 F N -2.567 117.452 119.950 0.114 0.000 2.817 212 F HA 0.186 4.714 4.527 0.001 0.000 0.333 212 F C 0.905 176.715 175.800 0.017 0.000 1.085 212 F CA -0.130 57.901 58.000 0.051 0.000 1.170 212 F CB 0.289 39.323 39.000 0.056 0.000 1.066 212 F HN -0.178 nan 8.300 nan 0.000 0.564 213 N N 1.525 120.307 118.700 0.137 0.000 2.753 213 N HA -0.222 4.519 4.740 0.001 0.000 0.251 213 N C -0.552 175.011 175.510 0.088 0.000 1.097 213 N CA 0.717 53.813 53.050 0.077 0.000 0.786 213 N CB -0.882 37.630 38.487 0.043 0.000 1.137 213 N HN 0.289 nan 8.380 nan 0.000 0.566 214 K N 0.021 120.497 120.400 0.127 0.000 2.123 214 K HA 0.303 4.624 4.320 0.001 0.000 0.248 214 K C -0.379 176.257 176.600 0.060 0.000 0.969 214 K CA -0.826 55.513 56.287 0.086 0.000 0.882 214 K CB 0.704 33.258 32.500 0.090 0.000 1.080 214 K HN 0.072 nan 8.250 nan 0.000 0.441 215 D N 1.202 121.623 120.400 0.034 0.000 2.354 215 D HA 0.076 4.717 4.640 0.001 0.000 0.247 215 D C 1.437 177.745 176.300 0.014 0.000 1.138 215 D CA -0.164 53.847 54.000 0.019 0.000 0.958 215 D CB 0.887 41.693 40.800 0.011 0.000 1.144 215 D HN 0.331 nan 8.370 nan 0.000 0.458 216 L N 0.855 122.078 121.223 0.001 0.000 2.083 216 L HA -0.225 4.116 4.340 0.001 0.000 0.209 216 L C 2.328 179.194 176.870 -0.007 0.000 1.083 216 L CA 1.330 56.166 54.840 -0.007 0.000 0.752 216 L CB -0.392 41.652 42.059 -0.025 0.000 0.899 216 L HN 0.476 nan 8.230 nan 0.000 0.433 217 K N 1.019 121.416 120.400 -0.006 0.000 1.987 217 K HA -0.219 4.102 4.320 0.001 0.000 0.216 217 K C 0.538 177.134 176.600 -0.007 0.000 1.051 217 K CA 2.041 58.325 56.287 -0.006 0.000 0.942 217 K CB -0.823 31.674 32.500 -0.004 0.000 0.722 217 K HN 0.350 nan 8.250 nan 0.000 0.444 218 D N 1.509 121.906 120.400 -0.006 0.000 3.168 218 D HA 0.213 4.854 4.640 0.001 0.000 0.255 218 D C -0.220 176.067 176.300 -0.022 0.000 1.314 218 D CA -0.457 53.536 54.000 -0.012 0.000 0.900 218 D CB -0.115 40.681 40.800 -0.007 0.000 1.072 218 D HN 0.463 nan 8.370 nan 0.000 0.487 219 L N -1.699 119.506 121.223 -0.030 0.000 2.354 219 L HA 0.668 5.009 4.340 0.001 0.000 0.269 219 L C -0.323 176.500 176.870 -0.079 0.000 1.005 219 L CA -1.311 53.489 54.840 -0.068 0.000 0.819 219 L CB 1.546 43.570 42.059 -0.058 0.000 1.311 219 L HN -0.034 nan 8.230 nan 0.000 0.423 220 N N 2.203 120.828 118.700 -0.125 0.000 2.327 220 N HA 0.178 4.919 4.740 0.001 0.000 0.257 220 N C 0.589 176.058 175.510 -0.068 0.000 1.281 220 N CA -0.554 52.441 53.050 -0.092 0.000 0.942 220 N CB 0.592 39.016 38.487 -0.106 0.000 1.199 220 N HN 0.878 nan 8.380 nan 0.000 0.532 221 L N -1.088 120.115 121.223 -0.033 0.000 2.005 221 L HA -0.112 4.229 4.340 0.001 0.000 0.207 221 L C 2.218 179.096 176.870 0.012 0.000 1.072 221 L CA 1.981 56.823 54.840 0.004 0.000 0.744 221 L CB -0.989 41.087 42.059 0.029 0.000 0.895 221 L HN 0.841 nan 8.230 nan 0.000 0.433 222 A N -0.368 122.450 122.820 -0.003 0.000 1.940 222 A HA -0.255 4.066 4.320 0.001 0.000 0.219 222 A C 1.983 179.570 177.584 0.005 0.000 1.176 222 A CA 1.799 53.845 52.037 0.015 0.000 0.631 222 A CB -0.498 18.497 19.000 -0.009 0.000 0.814 222 A HN 0.568 nan 8.150 nan 0.000 0.446 223 E N -0.412 119.721 120.200 -0.112 0.000 2.150 223 E HA -0.186 4.165 4.350 0.001 0.000 0.193 223 E C 1.986 178.608 176.600 0.036 0.000 0.985 223 E CA 1.257 57.544 56.400 -0.187 0.000 0.814 223 E CB -0.134 29.210 29.700 -0.593 0.000 0.752 223 E HN 0.750 nan 8.360 nan 0.000 0.466 224 E N 0.641 120.851 120.200 0.017 0.000 2.047 224 E HA -0.160 4.191 4.350 0.001 0.000 0.191 224 E C 2.149 178.798 176.600 0.082 0.000 0.987 224 E CA 0.828 57.260 56.400 0.053 0.000 0.799 224 E CB -0.115 29.605 29.700 0.034 0.000 0.752 224 E HN 0.209 nan 8.360 nan 0.000 0.449 225 A N 0.984 123.857 122.820 0.089 0.000 1.883 225 A HA -0.248 4.073 4.320 0.001 0.000 0.217 225 A C 2.070 179.717 177.584 0.104 0.000 1.186 225 A CA 1.675 53.770 52.037 0.095 0.000 0.624 225 A CB -0.906 18.160 19.000 0.111 0.000 0.822 225 A HN 0.453 nan 8.150 nan 0.000 0.444 226 Y N 0.263 120.582 120.300 0.031 0.000 2.133 226 Y HA -0.112 4.439 4.550 0.001 0.000 0.287 226 Y C 1.959 177.873 175.900 0.023 0.000 1.134 226 Y CA 1.780 59.892 58.100 0.020 0.000 1.133 226 Y CB -0.247 38.246 38.460 0.056 0.000 0.987 226 Y HN 0.181 nan 8.280 nan 0.000 0.502 227 L N 0.041 121.267 121.223 0.005 0.000 2.349 227 L HA -0.233 4.108 4.340 0.001 0.000 0.220 227 L C 2.482 179.363 176.870 0.018 0.000 1.130 227 L CA 1.029 55.822 54.840 -0.078 0.000 0.791 227 L CB -0.761 41.323 42.059 0.043 0.000 0.918 227 L HN 0.473 nan 8.230 nan 0.000 0.444 228 A N -0.435 122.391 122.820 0.010 0.000 1.943 228 A HA 0.077 4.398 4.320 0.001 0.000 0.213 228 A C 2.287 179.869 177.584 -0.003 0.000 1.181 228 A CA 1.080 53.154 52.037 0.061 0.000 0.653 228 A CB -0.559 18.481 19.000 0.067 0.000 0.833 228 A HN 0.381 nan 8.150 nan 0.000 0.451 229 G N -0.508 108.226 108.800 -0.111 0.000 2.683 229 G HA2 0.103 4.064 3.960 0.001 0.000 0.213 229 G HA3 0.103 4.064 3.960 0.001 0.000 0.213 229 G C 1.373 176.125 174.900 -0.248 0.000 1.142 229 G CA 0.804 45.797 45.100 -0.178 0.000 0.793 229 G HN 0.388 nan 8.290 nan 0.000 0.534 230 L N 1.838 122.857 121.223 -0.339 0.000 1.990 230 L HA 0.007 4.348 4.340 0.001 0.000 0.213 230 L C -0.120 176.731 176.870 -0.032 0.000 1.072 230 L CA 2.113 56.789 54.840 -0.274 0.000 0.755 230 L CB -1.028 40.748 42.059 -0.472 0.000 0.889 230 L HN 0.054 nan 8.230 nan 0.000 0.432 231 P HA -0.218 nan 4.420 nan 0.000 0.218 231 P C 1.460 178.744 177.300 -0.028 0.000 1.146 231 P CA 1.343 64.308 63.100 -0.225 0.000 0.813 231 P CB -0.129 31.337 31.700 -0.389 0.000 0.778 232 Q N 0.197 120.047 119.800 0.084 0.000 1.967 232 Q HA -0.144 4.197 4.340 0.001 0.000 0.210 232 Q C 0.483 176.546 176.000 0.104 0.000 1.005 232 Q CA 2.018 57.905 55.803 0.140 0.000 0.862 232 Q CB -0.253 28.631 28.738 0.244 0.000 0.939 232 Q HN 0.181 nan 8.270 nan 0.000 0.417 233 V N -2.539 117.436 119.914 0.102 0.000 2.315 233 V HA 0.313 4.434 4.120 0.001 0.000 0.265 233 V C -2.426 173.577 176.094 -0.150 0.000 1.019 233 V CA -1.546 60.674 62.300 -0.132 0.000 0.824 233 V CB 1.143 32.771 31.823 -0.326 0.000 1.072 233 V HN 0.101 nan 8.190 nan 0.000 0.448 234 P HA -0.102 nan 4.420 nan 0.000 0.217 234 P C 1.201 178.540 177.300 0.065 0.000 1.148 234 P CA 1.525 64.663 63.100 0.063 0.000 0.834 234 P CB 0.192 31.972 31.700 0.134 0.000 0.783 235 N N -1.371 117.340 118.700 0.017 0.000 2.300 235 N HA -0.052 4.689 4.740 0.001 0.000 0.179 235 N C 1.153 176.598 175.510 -0.109 0.000 1.016 235 N CA 0.830 53.893 53.050 0.022 0.000 0.876 235 N CB -0.680 37.822 38.487 0.025 0.000 0.979 235 N HN 0.104 nan 8.380 nan 0.000 0.432 236 N N -0.807 117.706 118.700 -0.312 0.000 2.373 236 N HA 0.044 4.785 4.740 0.001 0.000 0.181 236 N C 0.619 175.937 175.510 -0.319 0.000 1.082 236 N CA 0.410 53.134 53.050 -0.544 0.000 0.885 236 N CB 0.043 38.156 38.487 -0.623 0.000 0.977 236 N HN 0.461 nan 8.380 nan 0.000 0.462 237 Y N -0.533 119.765 120.300 -0.004 0.000 2.442 237 Y HA 0.215 4.765 4.550 0.001 0.000 0.250 237 Y C 0.733 176.764 175.900 0.219 0.000 1.113 237 Y CA -0.921 57.233 58.100 0.090 0.000 1.273 237 Y CB 0.418 38.888 38.460 0.017 0.000 1.138 237 Y HN -0.085 nan 8.280 nan 0.000 0.522 238 N N 2.885 121.790 118.700 0.340 0.000 2.374 238 N HA -0.075 4.666 4.740 0.001 0.000 0.269 238 N C 1.071 176.807 175.510 0.377 0.000 1.310 238 N CA 0.395 53.677 53.050 0.387 0.000 0.877 238 N CB 0.465 39.171 38.487 0.366 0.000 1.096 238 N HN 0.442 nan 8.380 nan 0.000 0.484 239 I N 2.715 123.456 120.570 0.286 0.000 2.163 239 I HA -0.306 3.865 4.170 0.001 0.000 0.243 239 I C 1.426 177.645 176.117 0.171 0.000 1.085 239 I CA 1.190 62.556 61.300 0.108 0.000 1.347 239 I CB -0.815 37.091 38.000 -0.156 0.000 1.044 239 I HN 0.488 nan 8.210 nan 0.000 0.408 240 Y N 1.519 121.939 120.300 0.200 0.000 2.332 240 Y HA -0.285 4.266 4.550 0.001 0.000 0.283 240 Y C 2.154 178.112 175.900 0.096 0.000 1.186 240 Y CA 0.987 59.160 58.100 0.122 0.000 1.266 240 Y CB -0.277 38.253 38.460 0.118 0.000 0.973 240 Y HN 0.374 nan 8.280 nan 0.000 0.548 241 D N -2.573 118.005 120.400 0.297 0.000 2.716 241 D HA 0.042 4.683 4.640 0.001 0.000 0.273 241 D C -0.105 176.137 176.300 -0.096 0.000 1.024 241 D CA 0.795 54.879 54.000 0.141 0.000 0.944 241 D CB 0.140 41.121 40.800 0.301 0.000 1.186 241 D HN 0.293 nan 8.370 nan 0.000 0.485 242 H N -0.158 119.001 119.070 0.149 0.000 2.569 242 H HA 0.277 4.834 4.556 0.001 0.000 0.247 242 H C -1.981 173.426 175.328 0.132 0.000 1.346 242 H CA -1.463 54.662 56.048 0.129 0.000 1.502 242 H CB 1.577 31.417 29.762 0.130 0.000 1.512 242 H HN -0.078 nan 8.280 nan 0.000 0.502 243 P HA -0.156 nan 4.420 nan 0.000 0.217 243 P C 1.383 178.752 177.300 0.115 0.000 1.150 243 P CA 1.079 64.245 63.100 0.111 0.000 0.832 243 P CB 0.584 32.325 31.700 0.069 0.000 0.787 244 K N -0.216 120.259 120.400 0.125 0.000 2.026 244 K HA -0.065 4.256 4.320 0.001 0.000 0.208 244 K C 2.118 178.806 176.600 0.146 0.000 1.048 244 K CA 1.707 58.062 56.287 0.114 0.000 0.929 244 K CB -1.239 31.322 32.500 0.102 0.000 0.713 244 K HN -0.022 nan 8.250 nan 0.000 0.439 245 A N 0.524 123.469 122.820 0.209 0.000 1.898 245 A HA -0.069 4.252 4.320 0.001 0.000 0.216 245 A C 2.309 180.056 177.584 0.271 0.000 1.181 245 A CA 1.916 54.105 52.037 0.253 0.000 0.620 245 A CB -0.930 18.245 19.000 0.291 0.000 0.819 245 A HN 0.311 nan 8.150 nan 0.000 0.442 246 A N -0.362 122.631 122.820 0.288 0.000 2.019 246 A HA -0.115 4.205 4.320 0.001 0.000 0.219 246 A C 1.932 179.633 177.584 0.195 0.000 1.164 246 A CA 2.056 54.288 52.037 0.325 0.000 0.644 246 A CB -0.367 18.803 19.000 0.285 0.000 0.805 246 A HN 0.623 nan 8.150 nan 0.000 0.449 247 E N 0.229 120.496 120.200 0.111 0.000 2.122 247 E HA -0.116 4.235 4.350 0.001 0.000 0.190 247 E C 1.277 177.926 176.600 0.082 0.000 0.977 247 E CA 1.232 57.676 56.400 0.072 0.000 0.820 247 E CB -0.145 29.582 29.700 0.045 0.000 0.770 247 E HN 0.492 nan 8.360 nan 0.000 0.462 248 D N 0.007 120.459 120.400 0.085 0.000 2.117 248 D HA -0.143 4.498 4.640 0.001 0.000 0.198 248 D C 1.959 178.280 176.300 0.034 0.000 0.982 248 D CA 0.907 54.948 54.000 0.067 0.000 0.828 248 D CB -0.128 40.721 40.800 0.081 0.000 0.967 248 D HN 0.041 nan 8.370 nan 0.000 0.464 249 R N 1.750 122.237 120.500 -0.020 0.000 2.073 249 R HA -0.106 4.235 4.340 0.001 0.000 0.234 249 R C 1.948 178.216 176.300 -0.053 0.000 1.134 249 R CA 1.369 57.353 56.100 -0.193 0.000 0.952 249 R CB -0.440 29.499 30.300 -0.602 0.000 0.850 249 R HN -0.073 nan 8.270 nan 0.000 0.433 250 K N 0.229 120.677 120.400 0.079 0.000 2.103 250 K HA -0.138 4.183 4.320 0.001 0.000 0.207 250 K C 1.238 177.915 176.600 0.128 0.000 1.048 250 K CA 1.792 58.167 56.287 0.147 0.000 0.930 250 K CB -0.258 32.370 32.500 0.213 0.000 0.716 250 K HN 0.187 nan 8.250 nan 0.000 0.444 251 N N 0.165 118.938 118.700 0.121 0.000 2.270 251 N HA -0.065 4.676 4.740 0.001 0.000 0.181 251 N C 1.602 177.235 175.510 0.206 0.000 1.016 251 N CA 1.467 54.620 53.050 0.171 0.000 0.870 251 N CB -0.497 38.071 38.487 0.135 0.000 0.979 251 N HN 0.223 nan 8.380 nan 0.000 0.431 252 T N 0.588 115.217 114.554 0.126 0.000 2.674 252 T HA -0.065 4.285 4.350 0.001 0.000 0.265 252 T C 2.129 176.923 174.700 0.157 0.000 1.039 252 T CA 1.018 63.196 62.100 0.130 0.000 1.150 252 T CB -0.471 68.424 68.868 0.046 0.000 0.864 252 T HN -0.054 nan 8.240 nan 0.000 0.427 253 V N 1.674 121.642 119.914 0.090 0.000 2.282 253 V HA -0.188 3.932 4.120 0.001 0.000 0.249 253 V C 2.544 178.686 176.094 0.080 0.000 1.057 253 V CA 1.625 63.968 62.300 0.071 0.000 1.032 253 V CB -0.782 31.069 31.823 0.046 0.000 0.645 253 V HN 0.428 nan 8.190 nan 0.000 0.447 254 L N -1.331 119.976 121.223 0.140 0.000 2.012 254 L HA -0.264 4.076 4.340 0.001 0.000 0.210 254 L C 2.462 179.291 176.870 -0.069 0.000 1.073 254 L CA 2.431 57.365 54.840 0.157 0.000 0.748 254 L CB -0.703 41.593 42.059 0.396 0.000 0.891 254 L HN 0.482 nan 8.230 nan 0.000 0.431 255 Y N 0.562 120.828 120.300 -0.056 0.000 2.070 255 Y HA -0.306 4.245 4.550 0.002 0.000 0.280 255 Y C 2.452 178.174 175.900 -0.297 0.000 1.148 255 Y CA 1.682 59.606 58.100 -0.293 0.000 1.125 255 Y CB -0.256 38.187 38.460 -0.029 0.000 0.975 255 Y HN -0.023 nan 8.280 nan 0.000 0.492 256 L N -0.163 120.913 121.223 -0.245 0.000 2.021 256 L HA -0.351 3.990 4.340 0.001 0.000 0.215 256 L C 2.678 179.393 176.870 -0.258 0.000 1.074 256 L CA 2.119 56.797 54.840 -0.271 0.000 0.760 256 L CB -0.643 41.423 42.059 0.012 0.000 0.889 256 L HN 0.441 nan 8.230 nan 0.000 0.433 257 M N -1.333 118.171 119.600 -0.160 0.000 2.149 257 M HA -0.262 4.219 4.480 0.001 0.000 0.261 257 M C 2.329 178.507 176.300 -0.204 0.000 1.064 257 M CA 1.774 57.009 55.300 -0.109 0.000 1.102 257 M CB -0.530 32.042 32.600 -0.047 0.000 1.369 257 M HN 0.317 nan 8.290 nan 0.000 0.408 258 H N -0.695 118.057 119.070 -0.531 0.000 2.395 258 H HA -0.192 4.364 4.556 0.001 0.000 0.299 258 H C 1.773 176.811 175.328 -0.483 0.000 1.070 258 H CA 1.814 57.511 56.048 -0.584 0.000 1.356 258 H CB -0.295 28.775 29.762 -1.154 0.000 1.401 258 H HN 0.419 nan 8.280 nan 0.000 0.524 259 Y N 0.152 119.900 120.300 -0.920 0.000 2.293 259 Y HA -0.118 4.432 4.550 0.002 0.000 0.291 259 Y C 1.304 176.827 175.900 -0.629 0.000 1.137 259 Y CA 1.537 59.098 58.100 -0.899 0.000 1.202 259 Y CB -0.265 37.515 38.460 -1.134 0.000 0.990 259 Y HN 0.348 nan 8.280 nan 0.000 0.537 260 H N 2.592 121.344 119.070 -0.531 0.000 2.555 260 H HA 0.139 4.696 4.556 0.002 0.000 0.283 260 H C 0.319 175.438 175.328 -0.348 0.000 1.037 260 H CA 0.514 56.279 56.048 -0.472 0.000 1.169 260 H CB -0.299 29.293 29.762 -0.284 0.000 1.375 260 H HN 0.368 nan 8.280 nan 0.000 0.582 261 K N 0.423 120.646 120.400 -0.296 0.000 3.003 261 K HA -0.263 4.058 4.320 0.001 0.000 0.257 261 K C 0.676 177.214 176.600 -0.103 0.000 0.958 261 K CA 0.518 56.678 56.287 -0.212 0.000 0.707 261 K CB -1.416 30.966 32.500 -0.197 0.000 1.279 261 K HN 0.352 nan 8.250 nan 0.000 0.479 262 R N 0.483 120.937 120.500 -0.077 0.000 2.276 262 R HA 0.192 4.533 4.340 0.001 0.000 0.196 262 R C 1.264 177.560 176.300 -0.006 0.000 0.961 262 R CA 0.893 56.972 56.100 -0.035 0.000 1.024 262 R CB 0.019 30.306 30.300 -0.021 0.000 0.940 262 R HN 0.593 nan 8.270 nan 0.000 0.480 263 I N -2.466 118.109 120.570 0.008 0.000 2.769 263 I HA 0.342 4.513 4.170 0.001 0.000 0.298 263 I C 0.171 176.363 176.117 0.126 0.000 1.128 263 I CA -1.116 60.221 61.300 0.061 0.000 1.031 263 I CB 2.083 40.130 38.000 0.078 0.000 1.235 263 I HN -0.177 nan 8.210 nan 0.000 0.423 264 T N -0.174 114.454 114.554 0.122 0.000 2.734 264 T HA 0.096 4.447 4.350 0.001 0.000 0.314 264 T C 0.557 175.392 174.700 0.224 0.000 1.057 264 T CA 0.488 62.677 62.100 0.148 0.000 1.047 264 T CB 0.625 69.551 68.868 0.095 0.000 0.991 264 T HN 0.722 nan 8.240 nan 0.000 0.540 265 D N -0.448 120.082 120.400 0.218 0.000 2.178 265 D HA -0.018 4.623 4.640 0.001 0.000 0.201 265 D C 1.986 178.345 176.300 0.098 0.000 0.980 265 D CA 1.093 55.195 54.000 0.169 0.000 0.842 265 D CB -0.046 40.865 40.800 0.185 0.000 0.948 265 D HN 0.650 nan 8.370 nan 0.000 0.472 266 K N 0.534 120.986 120.400 0.086 0.000 1.980 266 K HA -0.134 4.186 4.320 0.001 0.000 0.208 266 K C 2.104 178.739 176.600 0.058 0.000 1.043 266 K CA 0.933 57.248 56.287 0.046 0.000 0.938 266 K CB -0.008 32.513 32.500 0.035 0.000 0.724 266 K HN 0.169 nan 8.250 nan 0.000 0.438 267 Q N -0.495 119.356 119.800 0.085 0.000 2.297 267 Q HA -0.213 4.128 4.340 0.001 0.000 0.208 267 Q C 1.864 177.957 176.000 0.155 0.000 0.981 267 Q CA 1.331 57.188 55.803 0.091 0.000 0.876 267 Q CB -0.502 28.286 28.738 0.082 0.000 0.921 267 Q HN 0.444 nan 8.270 nan 0.000 0.446 268 W N 2.516 123.788 121.300 -0.046 0.000 2.353 268 W HA -0.137 4.524 4.660 0.001 0.000 0.319 268 W C 1.976 178.455 176.519 -0.066 0.000 1.207 268 W CA 1.657 58.960 57.345 -0.070 0.000 1.291 268 W CB -0.500 28.840 29.460 -0.200 0.000 1.159 268 W HN 0.248 nan 8.180 nan 0.000 0.478 269 E N -0.272 119.833 120.200 -0.158 0.000 2.118 269 E HA -0.248 4.103 4.350 0.001 0.000 0.195 269 E C 1.813 178.315 176.600 -0.163 0.000 0.992 269 E CA 1.753 57.970 56.400 -0.306 0.000 0.804 269 E CB -0.248 29.316 29.700 -0.227 0.000 0.741 269 E HN 0.116 nan 8.360 nan 0.000 0.458 270 D N -0.153 120.207 120.400 -0.066 0.000 2.097 270 D HA -0.131 4.510 4.640 0.001 0.000 0.195 270 D C 1.779 178.062 176.300 -0.029 0.000 0.989 270 D CA 1.376 55.353 54.000 -0.038 0.000 0.827 270 D CB -0.247 40.548 40.800 -0.007 0.000 0.966 270 D HN 0.273 nan 8.370 nan 0.000 0.456 271 A N 1.312 124.136 122.820 0.007 0.000 1.930 271 A HA -0.164 4.157 4.320 0.001 0.000 0.217 271 A C 1.648 179.236 177.584 0.007 0.000 1.175 271 A CA 1.249 53.304 52.037 0.031 0.000 0.627 271 A CB -0.428 18.634 19.000 0.103 0.000 0.815 271 A HN 0.338 nan 8.150 nan 0.000 0.443 272 K N -0.842 119.533 120.400 -0.042 0.000 2.630 272 K HA 0.125 4.445 4.320 0.001 0.000 0.204 272 K C 0.337 176.890 176.600 -0.079 0.000 1.024 272 K CA 0.286 56.532 56.287 -0.068 0.000 1.157 272 K CB 0.201 32.604 32.500 -0.161 0.000 0.899 272 K HN 0.115 nan 8.250 nan 0.000 0.501 273 K N 0.683 121.045 120.400 -0.063 0.000 2.425 273 K HA 0.257 4.577 4.320 0.001 0.000 0.201 273 K C 0.615 177.191 176.600 -0.039 0.000 1.128 273 K CA -0.076 56.178 56.287 -0.056 0.000 1.000 273 K CB 0.579 33.043 32.500 -0.059 0.000 0.961 273 K HN 0.172 nan 8.250 nan 0.000 0.555 274 I N 2.877 123.427 120.570 -0.034 0.000 2.648 274 I HA -0.079 4.092 4.170 0.001 0.000 0.284 274 I C 0.403 176.499 176.117 -0.034 0.000 1.153 274 I CA -0.198 61.080 61.300 -0.036 0.000 1.426 274 I CB 0.256 38.231 38.000 -0.042 0.000 1.381 274 I HN -0.019 nan 8.210 nan 0.000 0.571 275 D N 5.435 125.815 120.400 -0.034 0.000 2.339 275 D HA 0.051 4.692 4.640 0.001 0.000 0.256 275 D C 0.594 176.873 176.300 -0.037 0.000 1.214 275 D CA -0.323 53.661 54.000 -0.027 0.000 0.877 275 D CB 1.109 41.899 40.800 -0.017 0.000 1.111 275 D HN 0.340 nan 8.370 nan 0.000 0.478 276 L N 4.932 126.135 121.223 -0.034 0.000 2.056 276 L HA -0.019 4.322 4.340 0.001 0.000 0.207 276 L C 1.849 178.734 176.870 0.023 0.000 1.078 276 L CA 1.811 56.626 54.840 -0.043 0.000 0.749 276 L CB -0.507 41.513 42.059 -0.066 0.000 0.901 276 L HN 0.467 nan 8.230 nan 0.000 0.433 277 K N -0.903 119.511 120.400 0.023 0.000 2.283 277 K HA -0.068 4.253 4.320 0.001 0.000 0.202 277 K C 2.021 178.671 176.600 0.083 0.000 1.048 277 K CA 0.721 57.044 56.287 0.060 0.000 0.948 277 K CB -0.183 32.336 32.500 0.032 0.000 0.742 277 K HN 0.476 nan 8.250 nan 0.000 0.458 278 A N 2.325 125.170 122.820 0.043 0.000 1.893 278 A HA -0.267 4.054 4.320 0.001 0.000 0.222 278 A C 1.434 179.056 177.584 0.064 0.000 1.309 278 A CA 2.302 54.357 52.037 0.030 0.000 0.681 278 A CB -0.608 18.386 19.000 -0.009 0.000 0.842 278 A HN 0.344 nan 8.150 nan 0.000 0.468 279 N N -0.387 118.369 118.700 0.094 0.000 2.314 279 N HA 0.151 4.892 4.740 0.001 0.000 0.200 279 N C -0.130 175.571 175.510 0.318 0.000 1.135 279 N CA -0.190 52.953 53.050 0.155 0.000 0.835 279 N CB -0.020 38.516 38.487 0.083 0.000 0.989 279 N HN 0.417 nan 8.380 nan 0.000 0.478 280 L N 1.994 123.390 121.223 0.288 0.000 2.565 280 L HA 0.098 4.439 4.340 0.001 0.000 0.275 280 L C 0.030 176.952 176.870 0.087 0.000 1.137 280 L CA -0.205 54.743 54.840 0.179 0.000 0.915 280 L CB -0.128 41.992 42.059 0.101 0.000 1.232 280 L HN -0.167 nan 8.230 nan 0.000 0.473 281 V N 5.714 125.642 119.914 0.024 0.000 2.678 281 V HA -0.158 3.963 4.120 0.001 0.000 0.304 281 V C 0.807 176.918 176.094 0.028 0.000 1.086 281 V CA 0.406 62.698 62.300 -0.014 0.000 1.246 281 V CB -0.454 31.291 31.823 -0.131 0.000 0.861 281 V HN 0.801 nan 8.190 nan 0.000 0.491 282 N N 5.924 124.623 118.700 -0.002 0.000 2.411 282 N HA 0.405 5.146 4.740 0.001 0.000 0.259 282 N C -0.177 175.273 175.510 -0.101 0.000 1.103 282 N CA -0.005 53.036 53.050 -0.015 0.000 0.954 282 N CB 0.650 39.129 38.487 -0.012 0.000 1.085 282 N HN 0.616 nan 8.380 nan 0.000 0.485 283 R N -0.272 120.112 120.500 -0.193 0.000 2.808 283 R HA 0.512 4.853 4.340 0.001 0.000 0.272 283 R C -0.150 175.973 176.300 -0.296 0.000 0.995 283 R CA -0.909 55.015 56.100 -0.293 0.000 0.917 283 R CB 1.510 31.528 30.300 -0.471 0.000 1.217 283 R HN 0.496 nan 8.270 nan 0.000 0.471 284 T N -2.358 112.064 114.554 -0.220 0.000 2.948 284 T HA 0.357 4.708 4.350 0.001 0.000 0.285 284 T C -2.010 172.582 174.700 -0.181 0.000 1.019 284 T CA -2.212 59.785 62.100 -0.173 0.000 1.013 284 T CB 1.733 70.538 68.868 -0.104 0.000 1.117 284 T HN 0.167 nan 8.240 nan 0.000 0.533 285 P HA -0.115 nan 4.420 nan 0.000 0.219 285 P C 1.273 178.527 177.300 -0.077 0.000 1.144 285 P CA 1.136 64.179 63.100 -0.095 0.000 0.806 285 P CB 0.108 31.775 31.700 -0.054 0.000 0.771 286 E N -0.249 119.905 120.200 -0.077 0.000 2.016 286 E HA -0.179 4.172 4.350 0.001 0.000 0.190 286 E C 1.858 178.419 176.600 -0.064 0.000 0.985 286 E CA 1.175 57.537 56.400 -0.063 0.000 0.802 286 E CB -0.341 29.324 29.700 -0.058 0.000 0.762 286 E HN 0.375 nan 8.360 nan 0.000 0.448 287 E N 0.668 120.817 120.200 -0.084 0.000 2.204 287 E HA -0.112 4.239 4.350 0.001 0.000 0.195 287 E C 1.979 178.549 176.600 -0.050 0.000 0.990 287 E CA 0.513 56.868 56.400 -0.075 0.000 0.821 287 E CB -0.056 29.581 29.700 -0.104 0.000 0.750 287 E HN 0.077 nan 8.360 nan 0.000 0.477 288 R N 0.441 120.894 120.500 -0.077 0.000 2.127 288 R HA -0.082 4.259 4.340 0.001 0.000 0.238 288 R C 0.342 176.670 176.300 0.045 0.000 1.134 288 R CA 0.917 57.012 56.100 -0.009 0.000 0.975 288 R CB -0.134 30.126 30.300 -0.067 0.000 0.865 288 R HN 0.225 nan 8.270 nan 0.000 0.447 289 Q N 0.124 119.931 119.800 0.012 0.000 2.241 289 Q HA 0.124 4.465 4.340 0.001 0.000 0.254 289 Q C 0.490 176.498 176.000 0.014 0.000 0.917 289 Q CA -0.344 55.469 55.803 0.018 0.000 0.919 289 Q CB 1.269 30.010 28.738 0.005 0.000 1.237 289 Q HN -0.020 nan 8.270 nan 0.000 0.434 290 N N 2.179 120.893 118.700 0.023 0.000 1.955 290 N HA -0.336 4.404 4.740 0.001 0.000 0.154 290 N C 0.862 176.373 175.510 0.003 0.000 0.736 290 N CA 2.308 55.369 53.050 0.020 0.000 0.847 290 N CB -0.218 38.279 38.487 0.017 0.000 0.914 290 N HN 0.862 nan 8.380 nan 0.000 1.115 291 I N -2.339 118.223 120.570 -0.012 0.000 5.466 291 I HA -0.279 3.892 4.170 0.001 0.000 0.156 291 I C -1.346 174.760 176.117 -0.017 0.000 1.813 291 I CA 0.469 61.753 61.300 -0.027 0.000 2.034 291 I CB -0.512 37.468 38.000 -0.033 0.000 3.346 291 I HN 0.188 nan 8.210 nan 0.000 0.169 292 D N 1.260 121.658 120.400 -0.004 0.000 2.198 292 D HA 0.634 5.275 4.640 0.001 0.000 0.245 292 D C 0.336 176.638 176.300 0.003 0.000 1.079 292 D CA 1.065 55.066 54.000 0.002 0.000 0.854 292 D CB 1.830 42.636 40.800 0.011 0.000 1.148 292 D HN 0.340 nan 8.370 nan 0.000 0.456 293 T N 1.588 116.143 114.554 0.002 0.000 2.604 293 T HA -0.130 4.221 4.350 0.001 0.000 0.128 293 T C 0.019 174.721 174.700 0.003 0.000 2.764 293 T CA 0.381 62.484 62.100 0.005 0.000 1.038 293 T CB -1.067 67.807 68.868 0.010 0.000 2.585 293 T HN 0.766 nan 8.240 nan 0.000 0.240 294 N N -0.667 118.039 118.700 0.011 0.000 2.951 294 N HA -0.133 4.608 4.740 0.001 0.000 0.177 294 N C -0.545 174.970 175.510 0.008 0.000 1.080 294 N CA 0.793 53.846 53.050 0.006 0.000 1.041 294 N CB -0.847 37.632 38.487 -0.012 0.000 0.981 294 N HN 0.666 nan 8.380 nan 0.000 0.554 295 Q N 1.165 120.972 119.800 0.011 0.000 2.340 295 Q HA 0.133 4.473 4.340 0.001 0.000 0.249 295 Q C -0.399 175.620 176.000 0.032 0.000 0.957 295 Q CA 0.479 56.288 55.803 0.011 0.000 0.882 295 Q CB 0.567 29.309 28.738 0.008 0.000 1.235 295 Q HN 0.211 nan 8.270 nan 0.000 0.439 296 D N 0.442 120.853 120.400 0.018 0.000 2.767 296 D HA -0.122 4.519 4.640 0.001 0.000 0.239 296 D C 0.708 176.999 176.300 -0.015 0.000 1.103 296 D CA 1.184 55.200 54.000 0.027 0.000 0.710 296 D CB -1.410 39.495 40.800 0.175 0.000 1.084 296 D HN 0.650 nan 8.370 nan 0.000 0.435 297 S N -0.413 115.259 115.700 -0.046 0.000 2.474 297 S HA -0.214 4.257 4.470 0.001 0.000 0.235 297 S C 1.597 176.162 174.600 -0.059 0.000 0.997 297 S CA 1.021 59.210 58.200 -0.019 0.000 0.949 297 S CB -0.004 63.187 63.200 -0.014 0.000 0.766 297 S HN 0.525 nan 8.310 nan 0.000 0.517 298 E N 0.758 120.813 120.200 -0.240 0.000 2.463 298 E HA -0.174 4.177 4.350 0.001 0.000 0.201 298 E C 0.702 177.109 176.600 -0.322 0.000 1.045 298 E CA 0.827 57.032 56.400 -0.325 0.000 0.872 298 E CB -0.617 28.795 29.700 -0.481 0.000 0.797 298 E HN 0.861 nan 8.360 nan 0.000 0.538 299 Y N 0.260 120.593 120.300 0.054 0.000 2.442 299 Y HA 0.197 4.748 4.550 0.001 0.000 0.250 299 Y C 1.748 177.744 175.900 0.159 0.000 1.113 299 Y CA -0.201 57.947 58.100 0.080 0.000 1.273 299 Y CB 0.130 38.607 38.460 0.028 0.000 1.138 299 Y HN -0.022 nan 8.280 nan 0.000 0.522 300 N N 0.591 119.459 118.700 0.280 0.000 2.049 300 N HA -0.241 4.499 4.740 0.001 0.000 0.198 300 N C 1.809 177.587 175.510 0.448 0.000 1.030 300 N CA 2.480 55.727 53.050 0.329 0.000 0.870 300 N CB -0.375 38.306 38.487 0.323 0.000 1.045 300 N HN 0.177 nan 8.380 nan 0.000 0.434 301 S N -0.893 115.026 115.700 0.365 0.000 2.383 301 S HA -0.135 4.336 4.470 0.001 0.000 0.227 301 S C 1.778 176.471 174.600 0.156 0.000 1.026 301 S CA 0.772 59.019 58.200 0.078 0.000 0.981 301 S CB -0.564 62.510 63.200 -0.209 0.000 0.818 301 S HN 0.400 nan 8.310 nan 0.000 0.472 302 Y N 2.297 122.666 120.300 0.114 0.000 2.163 302 Y HA -0.129 4.422 4.550 0.001 0.000 0.288 302 Y C 2.424 178.418 175.900 0.157 0.000 1.136 302 Y CA 1.001 59.165 58.100 0.108 0.000 1.147 302 Y CB -0.512 38.006 38.460 0.097 0.000 0.987 302 Y HN 0.011 nan 8.280 nan 0.000 0.509 303 V N 1.152 121.264 119.914 0.331 0.000 2.233 303 V HA -0.397 3.724 4.120 0.001 0.000 0.247 303 V C 2.444 178.629 176.094 0.153 0.000 1.050 303 V CA 2.266 64.694 62.300 0.212 0.000 1.010 303 V CB -0.982 30.950 31.823 0.182 0.000 0.637 303 V HN 0.583 nan 8.190 nan 0.000 0.444 304 N N -0.209 118.613 118.700 0.203 0.000 2.132 304 N HA -0.278 4.463 4.740 0.001 0.000 0.191 304 N C 1.912 177.482 175.510 0.100 0.000 1.015 304 N CA 2.343 55.502 53.050 0.182 0.000 0.864 304 N CB -0.325 38.366 38.487 0.340 0.000 1.006 304 N HN 0.506 nan 8.380 nan 0.000 0.430 305 F N 1.148 121.055 119.950 -0.072 0.000 2.128 305 F HA -0.049 4.479 4.527 0.001 0.000 0.295 305 F C 2.440 178.138 175.800 -0.170 0.000 1.100 305 F CA 0.821 58.724 58.000 -0.161 0.000 1.260 305 F CB -0.470 38.345 39.000 -0.307 0.000 1.009 305 F HN -0.164 nan 8.300 nan 0.000 0.476 306 V N 0.834 120.771 119.914 0.039 0.000 2.287 306 V HA -0.352 3.769 4.120 0.001 0.000 0.248 306 V C 2.363 178.398 176.094 -0.098 0.000 1.053 306 V CA 2.286 64.572 62.300 -0.023 0.000 1.027 306 V CB -0.628 31.217 31.823 0.036 0.000 0.646 306 V HN 0.278 nan 8.190 nan 0.000 0.447 307 K N -0.416 119.945 120.400 -0.065 0.000 2.113 307 K HA -0.219 4.101 4.320 0.001 0.000 0.208 307 K C 2.476 179.005 176.600 -0.119 0.000 1.047 307 K CA 1.794 58.032 56.287 -0.082 0.000 0.928 307 K CB -0.340 32.138 32.500 -0.038 0.000 0.716 307 K HN 0.409 nan 8.250 nan 0.000 0.446 308 S N 0.759 116.356 115.700 -0.170 0.000 2.357 308 S HA -0.162 4.309 4.470 0.001 0.000 0.221 308 S C 1.954 176.432 174.600 -0.203 0.000 1.031 308 S CA 1.253 59.333 58.200 -0.200 0.000 0.982 308 S CB -0.038 62.989 63.200 -0.288 0.000 0.853 308 S HN 0.394 nan 8.310 nan 0.000 0.458 309 E N 0.132 120.167 120.200 -0.276 0.000 2.274 309 E HA -0.103 4.248 4.350 0.001 0.000 0.194 309 E C 2.026 178.596 176.600 -0.049 0.000 0.996 309 E CA 0.695 56.991 56.400 -0.174 0.000 0.840 309 E CB -0.210 29.371 29.700 -0.198 0.000 0.772 309 E HN 0.477 nan 8.360 nan 0.000 0.491 310 L N 0.500 121.662 121.223 -0.102 0.000 2.083 310 L HA -0.100 4.241 4.340 0.001 0.000 0.209 310 L C 1.910 178.810 176.870 0.049 0.000 1.083 310 L CA 1.445 56.239 54.840 -0.077 0.000 0.752 310 L CB -0.068 41.873 42.059 -0.197 0.000 0.899 310 L HN 0.220 nan 8.230 nan 0.000 0.433 311 M N -0.912 118.689 119.600 0.001 0.000 2.495 311 M HA 0.086 4.567 4.480 0.001 0.000 0.237 311 M C 1.099 177.475 176.300 0.125 0.000 1.131 311 M CA 0.365 55.699 55.300 0.057 0.000 1.032 311 M CB -0.953 31.644 32.600 -0.004 0.000 1.513 311 M HN 0.259 nan 8.290 nan 0.000 0.488 312 N N 1.017 119.803 118.700 0.143 0.000 2.463 312 N HA 0.008 4.749 4.740 0.001 0.000 0.181 312 N C 0.607 176.204 175.510 0.144 0.000 1.078 312 N CA 0.163 53.288 53.050 0.124 0.000 0.902 312 N CB 0.060 38.605 38.487 0.097 0.000 0.970 312 N HN 0.443 nan 8.380 nan 0.000 0.451 313 N N 1.228 120.059 118.700 0.219 0.000 2.467 313 N HA 0.027 4.768 4.740 0.001 0.000 0.262 313 N C 0.627 176.138 175.510 0.001 0.000 1.234 313 N CA -0.006 53.064 53.050 0.033 0.000 0.952 313 N CB 0.976 39.328 38.487 -0.225 0.000 1.158 313 N HN -0.039 nan 8.380 nan 0.000 0.463 314 K N 1.349 121.686 120.400 -0.105 0.000 2.211 314 K HA -0.094 4.227 4.320 0.001 0.000 0.203 314 K C 1.711 178.210 176.600 -0.169 0.000 1.050 314 K CA 1.143 57.361 56.287 -0.115 0.000 0.945 314 K CB -0.087 32.329 32.500 -0.141 0.000 0.732 314 K HN 0.570 nan 8.250 nan 0.000 0.451 315 A N 0.608 123.262 122.820 -0.278 0.000 2.019 315 A HA -0.085 4.235 4.320 0.001 0.000 0.219 315 A C 1.093 178.311 177.584 -0.610 0.000 1.164 315 A CA 1.093 52.824 52.037 -0.510 0.000 0.644 315 A CB -0.270 18.285 19.000 -0.742 0.000 0.805 315 A HN 0.263 nan 8.150 nan 0.000 0.449 316 F N -1.431 118.500 119.950 -0.032 0.000 2.850 316 F HA 0.330 4.858 4.527 0.001 0.000 0.329 316 F C 1.396 177.187 175.800 -0.015 0.000 1.182 316 F CA -0.399 57.595 58.000 -0.010 0.000 1.270 316 F CB 0.488 39.500 39.000 0.020 0.000 0.979 316 F HN -0.005 nan 8.300 nan 0.000 0.506 317 K N 0.339 120.783 120.400 0.073 0.000 2.062 317 K HA -0.093 4.228 4.320 0.001 0.000 0.205 317 K C 1.130 177.753 176.600 0.039 0.000 1.051 317 K CA 1.328 57.644 56.287 0.048 0.000 0.941 317 K CB 0.122 32.623 32.500 0.003 0.000 0.719 317 K HN 0.094 nan 8.250 nan 0.000 0.440 318 D N 0.601 121.015 120.400 0.023 0.000 2.323 318 D HA -0.020 4.621 4.640 0.001 0.000 0.209 318 D C 0.330 176.650 176.300 0.033 0.000 0.973 318 D CA 0.570 54.581 54.000 0.017 0.000 0.874 318 D CB 0.213 41.015 40.800 0.003 0.000 0.930 318 D HN 0.140 nan 8.370 nan 0.000 0.521 319 E N 1.119 121.361 120.200 0.070 0.000 2.376 319 E HA 0.227 4.578 4.350 0.001 0.000 0.254 319 E C 0.239 176.865 176.600 0.043 0.000 1.213 319 E CA -0.107 56.341 56.400 0.081 0.000 0.945 319 E CB 0.568 30.392 29.700 0.207 0.000 1.057 319 E HN 0.210 nan 8.360 nan 0.000 0.479 320 N N -0.805 117.882 118.700 -0.020 0.000 2.264 320 N HA 0.116 4.856 4.740 0.001 0.000 0.288 320 N C 0.071 175.494 175.510 -0.146 0.000 1.094 320 N CA -0.639 52.380 53.050 -0.053 0.000 0.817 320 N CB 0.945 39.428 38.487 -0.007 0.000 1.604 320 N HN 0.310 nan 8.380 nan 0.000 0.473 321 L N 1.634 122.797 121.223 -0.100 0.000 2.043 321 L HA 0.065 4.406 4.340 0.001 0.000 0.212 321 L C 2.045 178.822 176.870 -0.154 0.000 1.075 321 L CA 2.543 57.308 54.840 -0.125 0.000 0.752 321 L CB -0.962 41.053 42.059 -0.074 0.000 0.891 321 L HN 0.908 nan 8.230 nan 0.000 0.432 322 G N -0.811 107.914 108.800 -0.124 0.000 2.513 322 G HA2 -0.411 3.550 3.960 0.001 0.000 0.219 322 G HA3 -0.411 3.550 3.960 0.001 0.000 0.219 322 G C 1.555 176.251 174.900 -0.340 0.000 1.160 322 G CA 1.080 46.143 45.100 -0.061 0.000 0.767 322 G HN 0.595 nan 8.290 nan 0.000 0.571 323 N N -0.003 118.131 118.700 -0.942 0.000 2.173 323 N HA -0.094 4.647 4.740 0.001 0.000 0.184 323 N C 2.370 177.712 175.510 -0.281 0.000 1.025 323 N CA 1.297 53.898 53.050 -0.749 0.000 0.852 323 N CB -0.013 37.938 38.487 -0.893 0.000 0.998 323 N HN 0.178 nan 8.380 nan 0.000 0.427 324 V N 2.060 121.833 119.914 -0.235 0.000 2.469 324 V HA -0.208 3.912 4.120 0.001 0.000 0.251 324 V C 2.349 178.375 176.094 -0.114 0.000 1.064 324 V CA 1.206 63.428 62.300 -0.129 0.000 1.066 324 V CB -0.521 31.182 31.823 -0.200 0.000 0.667 324 V HN 0.346 nan 8.190 nan 0.000 0.461 325 L N -0.549 120.602 121.223 -0.120 0.000 2.376 325 L HA -0.120 4.221 4.340 0.001 0.000 0.219 325 L C 2.313 179.161 176.870 -0.037 0.000 1.133 325 L CA 1.173 55.968 54.840 -0.075 0.000 0.816 325 L CB -0.357 41.666 42.059 -0.060 0.000 0.933 325 L HN 0.419 nan 8.230 nan 0.000 0.449 326 Q N -1.022 118.757 119.800 -0.034 0.000 2.282 326 Q HA 0.050 4.391 4.340 0.001 0.000 0.206 326 Q C 1.276 177.276 176.000 -0.000 0.000 0.878 326 Q CA 0.250 56.049 55.803 -0.008 0.000 0.944 326 Q CB 0.516 29.264 28.738 0.017 0.000 1.100 326 Q HN 0.415 nan 8.270 nan 0.000 0.509 327 S N -0.341 115.361 115.700 0.004 0.000 2.677 327 S HA 0.284 4.755 4.470 0.001 0.000 0.246 327 S C 1.077 175.705 174.600 0.047 0.000 1.005 327 S CA -0.004 58.215 58.200 0.032 0.000 1.062 327 S CB 0.022 63.254 63.200 0.052 0.000 0.778 327 S HN 0.409 nan 8.310 nan 0.000 0.461 328 G N 2.631 111.452 108.800 0.034 0.000 2.395 328 G HA2 -0.277 3.684 3.960 0.001 0.000 0.300 328 G HA3 -0.277 3.684 3.960 0.001 0.000 0.300 328 G C 0.066 175.006 174.900 0.067 0.000 0.998 328 G CA 0.627 45.754 45.100 0.044 0.000 1.046 328 G HN 0.992 nan 8.290 nan 0.000 0.513 329 I N -3.460 117.153 120.570 0.071 0.000 2.797 329 I HA 0.762 4.933 4.170 0.001 0.000 0.310 329 I C 0.150 176.328 176.117 0.102 0.000 0.990 329 I CA -1.085 60.277 61.300 0.103 0.000 1.228 329 I CB 1.264 39.340 38.000 0.127 0.000 1.406 329 I HN -0.036 nan 8.210 nan 0.000 0.534 330 K N 5.202 125.678 120.400 0.127 0.000 2.358 330 K HA 0.595 4.916 4.320 0.001 0.000 0.260 330 K C -1.096 175.555 176.600 0.086 0.000 0.956 330 K CA -0.501 55.843 56.287 0.094 0.000 0.834 330 K CB 2.187 34.702 32.500 0.024 0.000 1.102 330 K HN 0.539 nan 8.250 nan 0.000 0.431 331 I N 3.726 124.302 120.570 0.011 0.000 2.354 331 I HA 0.260 4.431 4.170 0.001 0.000 0.292 331 I C -0.850 175.215 176.117 -0.087 0.000 0.989 331 I CA -0.955 60.365 61.300 0.034 0.000 1.188 331 I CB 0.632 38.640 38.000 0.013 0.000 1.342 331 I HN 0.435 nan 8.210 nan 0.000 0.457 332 Y N 4.079 124.431 120.300 0.086 0.000 2.331 332 Y HA 0.410 4.961 4.550 0.001 0.000 0.338 332 Y C 0.847 176.800 175.900 0.088 0.000 0.976 332 Y CA -0.691 57.464 58.100 0.092 0.000 1.137 332 Y CB 1.817 40.299 38.460 0.036 0.000 1.172 332 Y HN 0.563 nan 8.280 nan 0.000 0.478 333 T N -2.064 112.613 114.554 0.206 0.000 2.927 333 T HA 0.363 4.714 4.350 0.001 0.000 0.286 333 T C 0.279 175.075 174.700 0.161 0.000 1.040 333 T CA -1.009 61.209 62.100 0.197 0.000 1.010 333 T CB 1.163 70.199 68.868 0.280 0.000 1.177 333 T HN 0.589 nan 8.240 nan 0.000 0.546 334 N N -0.190 118.609 118.700 0.164 0.000 2.322 334 N HA 0.171 4.912 4.740 0.001 0.000 0.194 334 N C 0.570 176.110 175.510 0.050 0.000 1.126 334 N CA -0.258 52.852 53.050 0.099 0.000 0.845 334 N CB -0.037 38.481 38.487 0.052 0.000 0.976 334 N HN 0.531 nan 8.380 nan 0.000 0.475 335 M N 1.544 121.125 119.600 -0.031 0.000 2.260 335 M HA -0.057 4.424 4.480 0.001 0.000 0.348 335 M C -0.508 175.686 176.300 -0.177 0.000 1.342 335 M CA 0.732 55.833 55.300 -0.331 0.000 1.040 335 M CB 0.443 32.473 32.600 -0.949 0.000 1.810 335 M HN 0.046 nan 8.290 nan 0.000 0.453 336 D N 5.213 125.534 120.400 -0.132 0.000 2.347 336 D HA 0.092 4.733 4.640 0.001 0.000 0.235 336 D C 0.620 176.876 176.300 -0.073 0.000 1.149 336 D CA -0.004 53.958 54.000 -0.064 0.000 0.850 336 D CB 1.085 41.873 40.800 -0.021 0.000 1.061 336 D HN 0.699 nan 8.370 nan 0.000 0.487 337 K N 3.219 123.591 120.400 -0.046 0.000 2.074 337 K HA -0.193 4.128 4.320 0.001 0.000 0.209 337 K C 0.516 177.135 176.600 0.032 0.000 1.048 337 K CA 1.410 57.708 56.287 0.017 0.000 0.926 337 K CB 0.318 32.827 32.500 0.014 0.000 0.713 337 K HN 0.447 nan 8.250 nan 0.000 0.444 338 D N 0.000 120.400 120.400 0.000 0.000 2.091 338 D HA -0.106 4.535 4.640 0.001 0.000 0.199 338 D C 2.054 178.330 176.300 -0.041 0.000 0.980 338 D CA 0.897 54.889 54.000 -0.012 0.000 0.831 338 D CB -0.379 40.419 40.800 -0.005 0.000 0.987 338 D HN -0.021 nan 8.370 nan 0.000 0.460 339 V N 1.018 120.896 119.914 -0.061 0.000 2.324 339 V HA -0.286 3.835 4.120 0.001 0.000 0.250 339 V C 2.534 178.567 176.094 -0.101 0.000 1.060 339 V CA 1.748 63.978 62.300 -0.116 0.000 1.042 339 V CB -0.576 31.123 31.823 -0.207 0.000 0.650 339 V HN 0.132 nan 8.190 nan 0.000 0.450 340 Q N 0.488 120.242 119.800 -0.077 0.000 2.096 340 Q HA -0.220 4.120 4.340 0.001 0.000 0.204 340 Q C 2.161 178.106 176.000 -0.091 0.000 0.982 340 Q CA 1.935 57.703 55.803 -0.058 0.000 0.850 340 Q CB -0.332 28.402 28.738 -0.007 0.000 0.901 340 Q HN 0.595 nan 8.270 nan 0.000 0.422 341 K N -1.019 119.319 120.400 -0.104 0.000 2.026 341 K HA -0.100 4.221 4.320 0.001 0.000 0.208 341 K C 2.170 178.715 176.600 -0.091 0.000 1.048 341 K CA 1.695 57.899 56.287 -0.138 0.000 0.929 341 K CB -0.260 32.173 32.500 -0.112 0.000 0.713 341 K HN 0.256 nan 8.250 nan 0.000 0.439 342 T N 2.155 116.667 114.554 -0.071 0.000 2.652 342 T HA -0.177 4.174 4.350 0.001 0.000 0.267 342 T C 1.728 176.402 174.700 -0.044 0.000 1.039 342 T CA 1.337 63.404 62.100 -0.055 0.000 1.153 342 T CB -0.298 68.532 68.868 -0.063 0.000 0.863 342 T HN 0.090 nan 8.240 nan 0.000 0.428 343 L N 1.011 122.201 121.223 -0.056 0.000 2.042 343 L HA -0.067 4.274 4.340 0.001 0.000 0.210 343 L C 2.409 179.277 176.870 -0.005 0.000 1.076 343 L CA 1.870 56.689 54.840 -0.035 0.000 0.749 343 L CB -0.765 41.263 42.059 -0.051 0.000 0.893 343 L HN 0.139 nan 8.230 nan 0.000 0.432 344 Q N -0.926 118.857 119.800 -0.027 0.000 2.212 344 Q HA -0.087 4.254 4.340 0.001 0.000 0.199 344 Q C 1.955 177.952 176.000 -0.006 0.000 0.950 344 Q CA 1.204 56.999 55.803 -0.014 0.000 0.863 344 Q CB -0.101 28.608 28.738 -0.048 0.000 0.944 344 Q HN 0.511 nan 8.270 nan 0.000 0.465 345 N N 0.913 119.597 118.700 -0.027 0.000 2.039 345 N HA -0.161 4.580 4.740 0.001 0.000 0.193 345 N C 1.247 176.765 175.510 0.014 0.000 1.044 345 N CA 1.538 54.576 53.050 -0.020 0.000 0.847 345 N CB -0.574 37.892 38.487 -0.035 0.000 1.030 345 N HN 0.311 nan 8.380 nan 0.000 0.422 346 D N 0.434 120.857 120.400 0.039 0.000 2.182 346 D HA -0.088 4.553 4.640 0.001 0.000 0.201 346 D C 1.759 178.178 176.300 0.197 0.000 0.986 346 D CA 0.500 54.560 54.000 0.101 0.000 0.847 346 D CB 0.199 41.071 40.800 0.119 0.000 0.942 346 D HN -0.017 nan 8.370 nan 0.000 0.467 347 V N 0.947 120.973 119.914 0.188 0.000 2.453 347 V HA -0.168 3.953 4.120 0.001 0.000 0.247 347 V C 1.822 178.051 176.094 0.224 0.000 1.048 347 V CA 1.506 63.979 62.300 0.288 0.000 1.049 347 V CB -0.131 31.805 31.823 0.188 0.000 0.672 347 V HN 0.070 nan 8.190 nan 0.000 0.457 348 D N 0.139 120.589 120.400 0.083 0.000 2.137 348 D HA -0.047 4.593 4.640 0.001 0.000 0.202 348 D C 1.555 177.841 176.300 -0.022 0.000 0.970 348 D CA 0.938 54.940 54.000 0.004 0.000 0.837 348 D CB -0.219 40.572 40.800 -0.015 0.000 0.981 348 D HN 0.409 nan 8.370 nan 0.000 0.475 349 N N 0.353 119.037 118.700 -0.027 0.000 2.230 349 N HA 0.106 4.846 4.740 0.001 0.000 0.202 349 N C 0.907 176.315 175.510 -0.171 0.000 1.119 349 N CA -0.009 52.993 53.050 -0.079 0.000 0.851 349 N CB 0.731 39.177 38.487 -0.068 0.000 0.990 349 N HN -0.023 nan 8.380 nan 0.000 0.497 350 G N 0.532 109.179 108.800 -0.254 0.000 2.594 350 G HA2 0.192 4.153 3.960 0.001 0.000 0.243 350 G HA3 0.192 4.153 3.960 0.001 0.000 0.243 350 G C 0.709 175.103 174.900 -0.842 0.000 1.229 350 G CA -0.260 44.302 45.100 -0.897 0.000 0.843 350 G HN 0.214 nan 8.290 nan 0.000 0.578 351 S N -0.465 114.633 115.700 -1.004 0.000 2.554 351 S HA 0.120 4.591 4.470 0.001 0.000 0.226 351 S C 0.728 174.956 174.600 -0.620 0.000 0.980 351 S CA -0.482 57.376 58.200 -0.570 0.000 0.939 351 S CB -0.171 62.810 63.200 -0.364 0.000 0.832 351 S HN 0.617 nan 8.310 nan 0.000 0.486 352 F N 0.422 120.047 119.950 -0.542 0.000 2.777 352 F HA 0.547 5.074 4.527 0.001 0.000 0.291 352 F C -0.607 174.543 175.800 -1.082 0.000 1.187 352 F CA -1.447 56.062 58.000 -0.818 0.000 1.406 352 F CB -0.962 37.699 39.000 -0.565 0.000 0.982 352 F HN 0.022 nan 8.300 nan 0.000 0.509 353 Y N 0.738 120.850 120.300 -0.314 0.000 2.334 353 Y HA 0.325 4.876 4.550 0.001 0.000 0.336 353 Y C 1.318 177.132 175.900 -0.144 0.000 0.960 353 Y CA -1.656 56.334 58.100 -0.185 0.000 1.164 353 Y CB 1.511 39.911 38.460 -0.100 0.000 1.155 353 Y HN -0.001 nan 8.280 nan 0.000 0.478 354 K N 2.366 122.831 120.400 0.110 0.000 2.063 354 K HA -0.205 4.116 4.320 0.001 0.000 0.208 354 K C -0.131 176.556 176.600 0.144 0.000 1.048 354 K CA 2.080 58.479 56.287 0.186 0.000 0.928 354 K CB 0.182 32.898 32.500 0.361 0.000 0.713 354 K HN 0.980 nan 8.250 nan 0.000 0.442 355 N N -2.480 116.336 118.700 0.193 0.000 3.526 355 N HA 0.020 4.761 4.740 0.001 0.000 0.328 355 N C -0.521 175.051 175.510 0.104 0.000 1.601 355 N CA -0.766 52.352 53.050 0.113 0.000 0.834 355 N CB 0.313 38.839 38.487 0.066 0.000 1.983 355 N HN -0.090 nan 8.380 nan 0.000 0.579 356 K N -1.805 118.629 120.400 0.056 0.000 2.426 356 K HA 0.278 4.599 4.320 0.001 0.000 0.193 356 K C -0.387 176.242 176.600 0.048 0.000 1.028 356 K CA 0.641 56.939 56.287 0.017 0.000 1.047 356 K CB 0.096 32.593 32.500 -0.004 0.000 0.821 356 K HN 0.315 nan 8.250 nan 0.000 0.513 357 D N 1.068 121.548 120.400 0.133 0.000 2.349 357 D HA -0.022 4.619 4.640 0.001 0.000 0.214 357 D C -0.264 176.202 176.300 0.276 0.000 1.063 357 D CA 0.313 54.427 54.000 0.191 0.000 0.847 357 D CB 0.317 41.232 40.800 0.191 0.000 0.933 357 D HN 0.360 nan 8.370 nan 0.000 0.513 358 Q N 0.954 120.881 119.800 0.212 0.000 2.293 358 Q HA 0.224 4.565 4.340 0.001 0.000 0.251 358 Q C -0.556 175.389 176.000 -0.092 0.000 0.930 358 Q CA -0.103 55.626 55.803 -0.123 0.000 0.893 358 Q CB 0.684 29.401 28.738 -0.034 0.000 1.215 358 Q HN 0.075 nan 8.270 nan 0.000 0.425 359 Q N 1.465 121.161 119.800 -0.173 0.000 2.433 359 Q HA 0.674 5.015 4.340 0.001 0.000 0.279 359 Q C -1.116 174.820 176.000 -0.107 0.000 1.105 359 Q CA -1.015 54.764 55.803 -0.040 0.000 0.815 359 Q CB 2.237 31.052 28.738 0.129 0.000 1.403 359 Q HN 0.496 nan 8.270 nan 0.000 0.435 360 V N -2.111 117.851 119.914 0.080 0.000 3.074 360 V HA 1.000 5.121 4.120 0.001 0.000 0.314 360 V C -0.139 176.094 176.094 0.231 0.000 1.117 360 V CA -0.941 61.404 62.300 0.077 0.000 1.014 360 V CB 1.869 33.775 31.823 0.139 0.000 1.057 360 V HN 0.886 nan 8.190 nan 0.000 0.438 361 G N -0.059 108.872 108.800 0.219 0.000 2.741 361 G HA2 0.813 4.774 3.960 0.001 0.000 0.293 361 G HA3 0.813 4.774 3.960 0.001 0.000 0.293 361 G C -1.048 173.908 174.900 0.093 0.000 1.457 361 G CA -0.082 45.116 45.100 0.162 0.000 1.098 361 G HN 1.395 nan 8.290 nan 0.000 0.536 362 A N 1.709 124.558 122.820 0.048 0.000 2.374 362 A HA 0.933 5.254 4.320 0.001 0.000 0.305 362 A C -0.258 177.337 177.584 0.018 0.000 1.053 362 A CA -0.637 51.425 52.037 0.040 0.000 0.726 362 A CB 1.889 20.901 19.000 0.019 0.000 1.229 362 A HN 0.751 nan 8.150 nan 0.000 0.431 363 T N 2.376 116.954 114.554 0.041 0.000 2.861 363 T HA 0.622 4.973 4.350 0.001 0.000 0.287 363 T C -0.634 174.069 174.700 0.005 0.000 1.003 363 T CA -0.122 61.974 62.100 -0.005 0.000 0.977 363 T CB 0.949 69.820 68.868 0.005 0.000 0.996 363 T HN 0.465 nan 8.240 nan 0.000 0.448 364 I N 3.917 124.460 120.570 -0.044 0.000 2.439 364 I HA 0.399 4.570 4.170 0.001 0.000 0.283 364 I C -0.664 175.434 176.117 -0.032 0.000 1.023 364 I CA -0.723 60.551 61.300 -0.042 0.000 1.100 364 I CB 1.242 39.156 38.000 -0.144 0.000 1.238 364 I HN 0.327 nan 8.210 nan 0.000 0.445 365 L N 4.056 125.301 121.223 0.037 0.000 2.334 365 L HA 0.485 4.825 4.340 0.001 0.000 0.270 365 L C 0.117 177.075 176.870 0.147 0.000 1.018 365 L CA -0.879 53.975 54.840 0.024 0.000 0.811 365 L CB 1.363 43.414 42.059 -0.014 0.000 1.271 365 L HN 0.487 nan 8.230 nan 0.000 0.443 366 D N 0.533 120.989 120.400 0.093 0.000 2.338 366 D HA 0.054 4.695 4.640 0.001 0.000 0.255 366 D C 0.828 177.171 176.300 0.072 0.000 1.237 366 D CA 0.141 54.212 54.000 0.118 0.000 0.883 366 D CB 1.423 42.255 40.800 0.054 0.000 1.087 366 D HN 0.490 nan 8.370 nan 0.000 0.485 367 S N 4.002 119.767 115.700 0.109 0.000 2.372 367 S HA -0.239 4.232 4.470 0.001 0.000 0.227 367 S C 1.662 176.298 174.600 0.059 0.000 1.044 367 S CA 1.374 59.639 58.200 0.108 0.000 1.050 367 S CB 0.006 63.309 63.200 0.172 0.000 0.901 367 S HN 0.586 nan 8.310 nan 0.000 0.447 368 K N 0.451 120.883 120.400 0.054 0.000 2.025 368 K HA -0.078 4.243 4.320 0.001 0.000 0.207 368 K C 2.682 179.306 176.600 0.039 0.000 1.049 368 K CA 1.730 58.046 56.287 0.047 0.000 0.933 368 K CB -0.424 32.103 32.500 0.045 0.000 0.714 368 K HN 0.611 nan 8.250 nan 0.000 0.438 369 T N -3.618 110.958 114.554 0.037 0.000 3.031 369 T HA 0.171 4.521 4.350 0.001 0.000 0.254 369 T C 1.585 176.303 174.700 0.030 0.000 1.060 369 T CA 0.735 62.874 62.100 0.064 0.000 1.135 369 T CB 0.408 69.326 68.868 0.082 0.000 0.896 369 T HN 0.351 nan 8.240 nan 0.000 0.472 370 G N 0.906 109.666 108.800 -0.066 0.000 2.175 370 G HA2 -0.047 3.914 3.960 0.001 0.000 0.244 370 G HA3 -0.047 3.914 3.960 0.001 0.000 0.244 370 G C 0.449 175.060 174.900 -0.482 0.000 0.982 370 G CA -0.049 44.943 45.100 -0.181 0.000 0.641 370 G HN 1.044 nan 8.290 nan 0.000 0.527 371 G N -0.089 108.388 108.800 -0.538 0.000 2.398 371 G HA2 0.542 4.503 3.960 0.001 0.000 0.246 371 G HA3 0.542 4.503 3.960 0.001 0.000 0.246 371 G C 0.241 174.920 174.900 -0.369 0.000 1.289 371 G CA 0.011 44.664 45.100 -0.744 0.000 0.869 371 G HN 1.077 nan 8.290 nan 0.000 0.543 372 L N 4.248 125.256 121.223 -0.358 0.000 2.485 372 L HA 0.184 4.525 4.340 0.001 0.000 0.279 372 L C 1.087 177.953 176.870 -0.005 0.000 1.124 372 L CA 0.257 54.956 54.840 -0.236 0.000 0.888 372 L CB 0.943 42.715 42.059 -0.478 0.000 1.217 372 L HN 0.240 nan 8.230 nan 0.000 0.464 373 V N 4.825 124.736 119.914 -0.006 0.000 2.535 373 V HA 0.381 4.502 4.120 0.001 0.000 0.246 373 V C 0.923 177.028 176.094 0.018 0.000 1.045 373 V CA 1.011 63.322 62.300 0.017 0.000 1.058 373 V CB -0.637 31.181 31.823 -0.007 0.000 0.689 373 V HN 0.942 nan 8.190 nan 0.000 0.461 374 A N -0.714 122.124 122.820 0.030 0.000 2.594 374 A HA 0.760 5.081 4.320 0.001 0.000 0.296 374 A C -1.515 176.078 177.584 0.015 0.000 1.056 374 A CA -0.266 51.802 52.037 0.052 0.000 0.693 374 A CB 1.758 20.721 19.000 -0.062 0.000 1.278 374 A HN 0.145 nan 8.150 nan 0.000 0.408 375 I N 0.470 121.075 120.570 0.059 0.000 2.827 375 I HA 0.747 4.918 4.170 0.001 0.000 0.298 375 I C -0.968 175.128 176.117 -0.035 0.000 1.235 375 I CA -0.203 61.068 61.300 -0.050 0.000 1.021 375 I CB 2.195 40.078 38.000 -0.194 0.000 1.259 375 I HN 0.777 nan 8.210 nan 0.000 0.427 376 S N 3.368 119.024 115.700 -0.074 0.000 2.614 376 S HA 0.567 5.038 4.470 0.001 0.000 0.288 376 S C 0.364 174.853 174.600 -0.185 0.000 1.137 376 S CA 0.029 58.168 58.200 -0.102 0.000 0.992 376 S CB 1.524 64.708 63.200 -0.026 0.000 1.026 376 S HN 0.901 nan 8.310 nan 0.000 0.486 377 G N 2.227 110.750 108.800 -0.461 0.000 2.777 377 G HA2 0.537 4.498 3.960 0.001 0.000 0.211 377 G HA3 0.537 4.498 3.960 0.001 0.000 0.211 377 G C 0.731 175.495 174.900 -0.226 0.000 1.149 377 G CA 0.274 45.002 45.100 -0.620 0.000 0.785 377 G HN 1.336 nan 8.290 nan 0.000 0.536 378 G N -0.344 108.420 108.800 -0.061 0.000 2.341 378 G HA2 0.343 4.304 3.960 0.001 0.000 0.293 378 G HA3 0.343 4.304 3.960 0.001 0.000 0.293 378 G C -1.113 173.857 174.900 0.117 0.000 1.298 378 G CA -1.142 44.023 45.100 0.107 0.000 0.868 378 G HN 0.431 nan 8.290 nan 0.000 0.540 379 R N 0.554 121.087 120.500 0.055 0.000 2.298 379 R HA 0.444 4.785 4.340 0.001 0.000 0.310 379 R C -0.872 175.444 176.300 0.027 0.000 1.068 379 R CA 0.037 56.131 56.100 -0.010 0.000 0.957 379 R CB 0.499 30.676 30.300 -0.206 0.000 1.003 379 R HN 0.511 nan 8.270 nan 0.000 0.454 380 D N 1.501 121.924 120.400 0.039 0.000 2.689 380 D HA -0.232 4.409 4.640 0.001 0.000 0.237 380 D C -0.664 175.683 176.300 0.078 0.000 1.148 380 D CA 0.942 54.962 54.000 0.034 0.000 0.656 380 D CB -1.062 39.727 40.800 -0.019 0.000 1.050 380 D HN 0.589 nan 8.370 nan 0.000 0.426 381 F N 1.212 121.157 119.950 -0.009 0.000 2.541 381 F HA 0.109 4.637 4.527 0.001 0.000 0.378 381 F C 0.706 176.513 175.800 0.011 0.000 1.068 381 F CA 0.052 58.058 58.000 0.009 0.000 1.199 381 F CB 0.455 39.472 39.000 0.029 0.000 1.091 381 F HN -0.290 nan 8.300 nan 0.000 0.555 382 K N 6.110 126.140 120.400 -0.616 0.000 2.159 382 K HA 0.086 4.407 4.320 0.001 0.000 0.266 382 K C 0.684 176.715 176.600 -0.948 0.000 0.975 382 K CA -0.467 55.492 56.287 -0.547 0.000 0.865 382 K CB 1.390 33.715 32.500 -0.292 0.000 1.087 382 K HN 0.715 nan 8.250 nan 0.000 0.446 383 D N 1.911 121.979 120.400 -0.553 0.000 2.137 383 D HA -0.164 4.477 4.640 0.001 0.000 0.193 383 D C 1.221 177.350 176.300 -0.284 0.000 0.993 383 D CA 1.794 55.573 54.000 -0.369 0.000 0.846 383 D CB 0.421 41.180 40.800 -0.068 0.000 0.990 383 D HN 0.204 nan 8.370 nan 0.000 0.448 384 V N 0.429 120.241 119.914 -0.169 0.000 3.052 384 V HA -0.067 4.054 4.120 0.001 0.000 0.254 384 V C 2.665 178.692 176.094 -0.111 0.000 1.100 384 V CA 0.522 62.766 62.300 -0.093 0.000 1.112 384 V CB 0.227 32.021 31.823 -0.050 0.000 0.738 384 V HN 0.079 nan 8.190 nan 0.000 0.469 385 V N 0.698 120.511 119.914 -0.169 0.000 2.295 385 V HA -0.147 3.974 4.120 0.001 0.000 0.246 385 V C 0.808 176.829 176.094 -0.121 0.000 1.049 385 V CA 1.566 63.783 62.300 -0.137 0.000 1.024 385 V CB -0.767 30.963 31.823 -0.155 0.000 0.648 385 V HN 0.635 nan 8.190 nan 0.000 0.447 386 N N -0.510 118.065 118.700 -0.209 0.000 2.361 386 N HA 0.507 5.248 4.740 0.001 0.000 0.302 386 N C -0.454 175.136 175.510 0.133 0.000 1.074 386 N CA -0.826 52.185 53.050 -0.064 0.000 0.850 386 N CB 1.121 39.561 38.487 -0.078 0.000 1.228 386 N HN 0.010 nan 8.380 nan 0.000 0.491 387 R N 1.448 122.058 120.500 0.183 0.000 2.484 387 R HA 0.027 4.367 4.340 0.001 0.000 0.293 387 R C -0.354 176.154 176.300 0.348 0.000 1.023 387 R CA -0.072 56.152 56.100 0.207 0.000 1.037 387 R CB -0.287 30.091 30.300 0.131 0.000 0.951 387 R HN 0.485 nan 8.270 nan 0.000 0.418 388 N N 3.173 122.059 118.700 0.311 0.000 2.466 388 N HA -0.048 4.693 4.740 0.001 0.000 0.263 388 N C 0.071 175.583 175.510 0.004 0.000 1.178 388 N CA 0.197 53.295 53.050 0.079 0.000 0.983 388 N CB 0.872 39.366 38.487 0.013 0.000 1.331 388 N HN 0.470 nan 8.380 nan 0.000 0.500 389 Q N 2.555 122.371 119.800 0.027 0.000 2.436 389 Q HA 0.146 4.487 4.340 0.001 0.000 0.209 389 Q C 1.495 177.545 176.000 0.083 0.000 0.965 389 Q CA 0.887 56.739 55.803 0.082 0.000 0.910 389 Q CB 0.066 28.921 28.738 0.195 0.000 0.980 389 Q HN 0.729 nan 8.270 nan 0.000 0.491 390 A N -0.822 122.004 122.820 0.010 0.000 2.067 390 A HA -0.060 4.261 4.320 0.001 0.000 0.217 390 A C 1.888 179.509 177.584 0.061 0.000 1.156 390 A CA 1.541 53.599 52.037 0.036 0.000 0.683 390 A CB -0.171 18.811 19.000 -0.031 0.000 0.808 390 A HN 0.436 nan 8.150 nan 0.000 0.455 391 T N -3.849 110.725 114.554 0.032 0.000 3.040 391 T HA 0.218 4.569 4.350 0.001 0.000 0.266 391 T C -0.288 174.386 174.700 -0.042 0.000 1.005 391 T CA -0.186 61.941 62.100 0.046 0.000 0.906 391 T CB 0.025 68.944 68.868 0.084 0.000 1.082 391 T HN 0.085 nan 8.240 nan 0.000 0.531 392 D N 3.282 123.601 120.400 -0.135 0.000 2.283 392 D HA 0.449 5.090 4.640 0.001 0.000 0.248 392 D C -2.708 173.261 176.300 -0.552 0.000 1.072 392 D CA -1.923 51.904 54.000 -0.288 0.000 0.929 392 D CB 1.353 41.968 40.800 -0.308 0.000 1.182 392 D HN 0.139 nan 8.370 nan 0.000 0.433 393 P HA 0.233 nan 4.420 nan 0.000 0.280 393 P C -0.785 176.043 177.300 -0.786 0.000 1.244 393 P CA -0.039 62.778 63.100 -0.472 0.000 0.784 393 P CB 0.724 32.245 31.700 -0.298 0.000 0.913 394 H N 0.987 119.986 119.070 -0.117 0.000 2.865 394 H HA 0.385 4.941 4.556 0.001 0.000 0.372 394 H C -2.534 172.906 175.328 0.187 0.000 1.173 394 H CA -2.402 53.589 56.048 -0.096 0.000 1.147 394 H CB 0.956 30.383 29.762 -0.558 0.000 1.805 394 H HN 0.156 nan 8.280 nan 0.000 0.553 395 P HA -0.063 nan 4.420 nan 0.000 0.265 395 P C 0.982 178.587 177.300 0.508 0.000 1.187 395 P CA 0.536 63.813 63.100 0.294 0.000 0.766 395 P CB 0.643 32.489 31.700 0.243 0.000 0.820 396 T N -0.533 114.159 114.554 0.229 0.000 3.022 396 T HA 0.343 4.694 4.350 0.001 0.000 0.250 396 T C 1.092 175.730 174.700 -0.103 0.000 1.060 396 T CA 0.366 62.394 62.100 -0.120 0.000 1.013 396 T CB -0.697 68.054 68.868 -0.194 0.000 0.982 396 T HN 0.634 nan 8.240 nan 0.000 0.508 397 G N 2.188 111.048 108.800 0.100 0.000 2.564 397 G HA2 -0.320 3.641 3.960 0.001 0.000 0.273 397 G HA3 -0.320 3.641 3.960 0.001 0.000 0.273 397 G C 0.772 175.685 174.900 0.022 0.000 1.242 397 G CA 0.385 45.540 45.100 0.091 0.000 0.951 397 G HN 1.102 nan 8.290 nan 0.000 0.564 398 S N -0.153 115.555 115.700 0.013 0.000 2.786 398 S HA 0.312 4.783 4.470 0.001 0.000 0.223 398 S C 1.900 176.486 174.600 -0.023 0.000 0.956 398 S CA 1.098 59.297 58.200 -0.002 0.000 0.961 398 S CB 0.455 63.654 63.200 -0.002 0.000 0.784 398 S HN 0.797 nan 8.310 nan 0.000 0.519 399 S N 1.756 117.419 115.700 -0.061 0.000 2.423 399 S HA 0.171 4.642 4.470 0.001 0.000 0.231 399 S C 1.367 176.016 174.600 0.080 0.000 1.014 399 S CA 0.653 58.833 58.200 -0.032 0.000 0.965 399 S CB -0.269 62.780 63.200 -0.252 0.000 0.785 399 S HN 0.553 nan 8.310 nan 0.000 0.495 400 L N 0.708 121.961 121.223 0.050 0.000 2.592 400 L HA 0.165 4.506 4.340 0.001 0.000 0.227 400 L C 1.832 178.698 176.870 -0.007 0.000 1.127 400 L CA 0.212 55.125 54.840 0.122 0.000 0.884 400 L CB -0.185 41.985 42.059 0.184 0.000 1.065 400 L HN 0.203 nan 8.230 nan 0.000 0.457 401 K N 0.822 121.196 120.400 -0.045 0.000 2.074 401 K HA -0.173 4.148 4.320 0.001 0.000 0.209 401 K C -0.556 175.994 176.600 -0.083 0.000 1.048 401 K CA 1.410 57.676 56.287 -0.034 0.000 0.926 401 K CB -1.034 31.520 32.500 0.089 0.000 0.713 401 K HN 0.229 nan 8.250 nan 0.000 0.444 402 P HA -0.158 nan 4.420 nan 0.000 0.220 402 P C 0.535 177.545 177.300 -0.484 0.000 1.144 402 P CA 1.330 64.146 63.100 -0.473 0.000 0.800 402 P CB 0.023 31.175 31.700 -0.914 0.000 0.772 403 F N -3.049 116.906 119.950 0.009 0.000 2.720 403 F HA 0.241 4.768 4.527 0.001 0.000 0.301 403 F C 1.780 177.640 175.800 0.099 0.000 1.103 403 F CA 0.080 58.157 58.000 0.129 0.000 1.291 403 F CB 0.055 39.062 39.000 0.012 0.000 1.086 403 F HN -0.240 nan 8.300 nan 0.000 0.592 404 L N -1.330 119.951 121.223 0.098 0.000 2.781 404 L HA 0.433 4.774 4.340 0.001 0.000 0.245 404 L C 1.524 178.389 176.870 -0.008 0.000 1.118 404 L CA 0.410 55.280 54.840 0.051 0.000 0.918 404 L CB 0.347 42.388 42.059 -0.030 0.000 1.246 404 L HN 0.108 nan 8.230 nan 0.000 0.526 405 A N -1.035 121.692 122.820 -0.155 0.000 1.878 405 A HA 0.134 4.455 4.320 0.001 0.000 0.188 405 A C 1.456 178.791 177.584 -0.415 0.000 2.104 405 A CA 0.081 51.934 52.037 -0.308 0.000 1.140 405 A CB -0.516 18.159 19.000 -0.541 0.000 1.057 405 A HN 0.102 nan 8.150 nan 0.000 0.646 406 Y N 1.215 121.422 120.300 -0.155 0.000 2.263 406 Y HA 0.063 4.614 4.550 0.001 0.000 0.292 406 Y C 2.705 178.436 175.900 -0.281 0.000 1.130 406 Y CA 0.828 58.830 58.100 -0.164 0.000 1.179 406 Y CB -0.935 37.477 38.460 -0.079 0.000 0.998 406 Y HN 0.379 nan 8.280 nan 0.000 0.532 407 G N 1.410 110.079 108.800 -0.218 0.000 2.511 407 G HA2 -0.231 3.730 3.960 0.001 0.000 0.216 407 G HA3 -0.231 3.730 3.960 0.001 0.000 0.216 407 G C -0.453 173.875 174.900 -0.953 0.000 1.218 407 G CA 1.110 45.924 45.100 -0.477 0.000 0.788 407 G HN 0.272 nan 8.290 nan 0.000 0.560 408 P HA -0.052 nan 4.420 nan 0.000 0.219 408 P C 1.823 178.762 177.300 -0.602 0.000 1.146 408 P CA 1.862 64.386 63.100 -0.961 0.000 0.808 408 P CB -0.108 31.235 31.700 -0.596 0.000 0.779 409 A N -0.181 122.271 122.820 -0.613 0.000 1.929 409 A HA -0.064 4.257 4.320 0.001 0.000 0.216 409 A C 2.298 179.489 177.584 -0.655 0.000 1.176 409 A CA 0.933 52.461 52.037 -0.849 0.000 0.628 409 A CB -1.277 17.003 19.000 -1.200 0.000 0.816 409 A HN 0.107 nan 8.150 nan 0.000 0.444 410 I N -0.721 119.659 120.570 -0.316 0.000 2.500 410 I HA -0.156 4.015 4.170 0.001 0.000 0.252 410 I C 2.481 178.619 176.117 0.034 0.000 1.142 410 I CA 1.560 62.836 61.300 -0.041 0.000 1.451 410 I CB -0.165 37.878 38.000 0.071 0.000 1.093 410 I HN 0.453 nan 8.210 nan 0.000 0.430 411 E N 1.657 121.791 120.200 -0.111 0.000 2.028 411 E HA -0.182 4.169 4.350 0.001 0.000 0.190 411 E C 1.889 178.506 176.600 0.028 0.000 0.984 411 E CA 1.546 57.936 56.400 -0.018 0.000 0.800 411 E CB -0.006 29.661 29.700 -0.055 0.000 0.758 411 E HN 0.257 nan 8.360 nan 0.000 0.448 412 N N -0.344 118.287 118.700 -0.115 0.000 2.376 412 N HA 0.006 4.747 4.740 0.001 0.000 0.177 412 N C 0.976 176.429 175.510 -0.094 0.000 1.024 412 N CA 1.295 54.288 53.050 -0.095 0.000 0.893 412 N CB 0.212 38.610 38.487 -0.149 0.000 0.980 412 N HN 0.456 nan 8.380 nan 0.000 0.439 413 M N -1.478 118.020 119.600 -0.170 0.000 2.625 413 M HA 0.356 4.837 4.480 0.001 0.000 0.396 413 M C -0.755 175.569 176.300 0.040 0.000 1.174 413 M CA -0.157 55.087 55.300 -0.094 0.000 0.898 413 M CB 0.251 32.750 32.600 -0.169 0.000 1.450 413 M HN -0.261 nan 8.290 nan 0.000 0.522 414 K N 1.282 121.716 120.400 0.058 0.000 3.311 414 K HA -0.159 4.162 4.320 0.001 0.000 0.270 414 K C -1.148 175.622 176.600 0.284 0.000 0.927 414 K CA 0.596 56.967 56.287 0.141 0.000 0.706 414 K CB -1.319 31.204 32.500 0.039 0.000 1.418 414 K HN 0.462 nan 8.250 nan 0.000 0.459 415 W N 0.738 122.074 121.300 0.061 0.000 2.150 415 W HA 0.360 5.021 4.660 0.001 0.000 0.341 415 W C 0.973 177.558 176.519 0.109 0.000 1.276 415 W CA -0.782 56.619 57.345 0.093 0.000 1.238 415 W CB 0.180 29.627 29.460 -0.022 0.000 1.128 415 W HN 0.362 nan 8.180 nan 0.000 0.581 416 A N 1.294 124.310 122.820 0.326 0.000 2.286 416 A HA 0.375 4.696 4.320 0.001 0.000 0.286 416 A C 1.380 179.088 177.584 0.207 0.000 1.097 416 A CA 0.300 52.457 52.037 0.200 0.000 0.821 416 A CB 0.273 19.337 19.000 0.105 0.000 1.076 416 A HN 0.739 nan 8.150 nan 0.000 0.490 417 T N -0.673 113.966 114.554 0.141 0.000 2.788 417 T HA -0.169 4.182 4.350 0.001 0.000 0.268 417 T C 0.922 175.688 174.700 0.110 0.000 1.044 417 T CA 1.495 63.668 62.100 0.121 0.000 1.139 417 T CB -0.504 68.399 68.868 0.058 0.000 0.867 417 T HN 0.780 nan 8.240 nan 0.000 0.454 418 N N 0.823 119.560 118.700 0.062 0.000 2.375 418 N HA -0.016 4.725 4.740 0.001 0.000 0.220 418 N C 0.052 175.576 175.510 0.023 0.000 1.170 418 N CA -0.375 52.696 53.050 0.036 0.000 0.833 418 N CB -1.171 37.306 38.487 -0.017 0.000 1.069 418 N HN 0.712 nan 8.380 nan 0.000 0.479 419 H N 0.797 119.832 119.070 -0.058 0.000 2.972 419 H HA 0.304 4.861 4.556 0.001 0.000 0.343 419 H C -0.232 174.989 175.328 -0.180 0.000 1.054 419 H CA 0.151 56.084 56.048 -0.192 0.000 1.412 419 H CB 0.711 30.275 29.762 -0.329 0.000 1.385 419 H HN 0.351 nan 8.280 nan 0.000 0.600 420 A N 6.505 129.071 122.820 -0.424 0.000 2.276 420 A HA 0.509 4.830 4.320 0.001 0.000 0.316 420 A C -0.633 176.901 177.584 -0.083 0.000 1.229 420 A CA -0.698 51.233 52.037 -0.176 0.000 0.851 420 A CB 0.433 19.313 19.000 -0.200 0.000 1.165 420 A HN 0.709 nan 8.150 nan 0.000 0.513 421 I N 1.368 121.957 120.570 0.032 0.000 2.569 421 I HA 0.272 4.443 4.170 0.001 0.000 0.296 421 I C -0.327 175.802 176.117 0.020 0.000 1.028 421 I CA -0.845 60.484 61.300 0.048 0.000 1.082 421 I CB 2.238 40.309 38.000 0.119 0.000 1.264 421 I HN 0.749 nan 8.210 nan 0.000 0.429 422 Q N 4.483 124.282 119.800 -0.000 0.000 2.337 422 Q HA 0.164 4.504 4.340 0.001 0.000 0.255 422 Q C -0.834 175.152 176.000 -0.023 0.000 0.997 422 Q CA 0.075 55.872 55.803 -0.010 0.000 0.925 422 Q CB 0.697 29.430 28.738 -0.008 0.000 1.212 422 Q HN 0.451 nan 8.270 nan 0.000 0.436 423 D N 3.111 123.501 120.400 -0.016 0.000 2.348 423 D HA 0.377 5.018 4.640 0.001 0.000 0.249 423 D C -0.625 175.662 176.300 -0.022 0.000 1.110 423 D CA -0.082 53.900 54.000 -0.029 0.000 0.967 423 D CB 0.833 41.610 40.800 -0.037 0.000 1.139 423 D HN 0.683 nan 8.370 nan 0.000 0.466 424 E N -1.073 119.120 120.200 -0.011 0.000 2.460 424 E HA 0.257 4.607 4.350 0.001 0.000 0.277 424 E C 0.218 176.836 176.600 0.029 0.000 1.010 424 E CA -0.539 55.873 56.400 0.020 0.000 0.838 424 E CB 1.300 31.043 29.700 0.073 0.000 1.448 424 E HN 0.325 nan 8.360 nan 0.000 0.462 425 S N -0.771 114.950 115.700 0.035 0.000 2.404 425 S HA 0.120 4.591 4.470 0.001 0.000 0.223 425 S C 0.793 175.443 174.600 0.082 0.000 1.040 425 S CA 0.139 58.357 58.200 0.032 0.000 0.957 425 S CB 0.129 63.332 63.200 0.005 0.000 0.826 425 S HN 0.263 nan 8.310 nan 0.000 0.491 426 S N -0.497 115.273 115.700 0.115 0.000 2.715 426 S HA 0.777 5.248 4.470 0.001 0.000 0.307 426 S C -1.381 173.392 174.600 0.289 0.000 1.119 426 S CA -0.713 57.585 58.200 0.163 0.000 0.937 426 S CB 1.440 64.705 63.200 0.108 0.000 1.150 426 S HN 0.525 nan 8.310 nan 0.000 0.521 427 Y N 0.152 120.533 120.300 0.134 0.000 2.457 427 Y HA 0.231 4.782 4.550 0.001 0.000 0.322 427 Y C -1.847 174.179 175.900 0.210 0.000 1.218 427 Y CA -0.713 57.478 58.100 0.152 0.000 1.116 427 Y CB 0.993 39.544 38.460 0.152 0.000 1.335 427 Y HN 0.468 nan 8.280 nan 0.000 0.452 428 Q N 4.487 123.993 119.800 -0.490 0.000 2.257 428 Q HA 0.633 4.974 4.340 0.001 0.000 0.255 428 Q C -1.310 174.516 176.000 -0.290 0.000 0.920 428 Q CA -0.684 54.969 55.803 -0.250 0.000 0.927 428 Q CB 2.360 30.988 28.738 -0.184 0.000 1.229 428 Q HN 0.478 nan 8.270 nan 0.000 0.433 429 V N 3.385 123.341 119.914 0.069 0.000 2.509 429 V HA 0.214 4.335 4.120 0.001 0.000 0.289 429 V C -0.675 175.533 176.094 0.190 0.000 1.026 429 V CA -0.750 61.628 62.300 0.129 0.000 0.872 429 V CB 1.371 33.314 31.823 0.200 0.000 1.017 429 V HN 0.828 nan 8.190 nan 0.000 0.436 430 D N 3.423 123.886 120.400 0.104 0.000 3.496 430 D HA -0.155 4.486 4.640 0.001 0.000 0.238 430 D C 1.306 177.646 176.300 0.066 0.000 1.707 430 D CA 1.584 55.638 54.000 0.091 0.000 1.150 430 D CB -0.766 40.109 40.800 0.125 0.000 0.759 430 D HN 0.909 nan 8.370 nan 0.000 0.936 431 G N -0.727 108.107 108.800 0.057 0.000 3.474 431 G HA2 0.442 4.403 3.960 0.001 0.000 0.269 431 G HA3 0.442 4.403 3.960 0.001 0.000 0.269 431 G C -0.534 174.376 174.900 0.018 0.000 1.339 431 G CA 0.514 45.633 45.100 0.031 0.000 1.258 431 G HN 0.273 nan 8.290 nan 0.000 0.560 432 S N -0.698 115.021 115.700 0.032 0.000 2.548 432 S HA 0.545 5.016 4.470 0.001 0.000 0.276 432 S C -0.290 174.271 174.600 -0.065 0.000 1.129 432 S CA -0.571 57.597 58.200 -0.054 0.000 0.931 432 S CB 2.075 65.230 63.200 -0.075 0.000 1.068 432 S HN 0.148 nan 8.310 nan 0.000 0.480 433 T N 2.767 117.215 114.554 -0.178 0.000 2.907 433 T HA 0.675 5.026 4.350 0.001 0.000 0.284 433 T C -0.967 173.564 174.700 -0.282 0.000 1.004 433 T CA -0.151 61.896 62.100 -0.089 0.000 1.063 433 T CB 0.175 69.017 68.868 -0.044 0.000 0.992 433 T HN 0.379 nan 8.240 nan 0.000 0.483 434 F N 1.778 121.792 119.950 0.107 0.000 2.556 434 F HA 0.616 5.144 4.527 0.001 0.000 0.314 434 F C 0.529 176.418 175.800 0.147 0.000 1.106 434 F CA -1.122 56.959 58.000 0.135 0.000 0.911 434 F CB 1.950 41.055 39.000 0.175 0.000 1.190 434 F HN 0.430 nan 8.300 nan 0.000 0.448 435 R N 0.796 121.469 120.500 0.288 0.000 2.888 435 R HA 0.592 4.933 4.340 0.001 0.000 0.264 435 R C -1.267 175.168 176.300 0.224 0.000 1.045 435 R CA -1.348 54.880 56.100 0.212 0.000 0.962 435 R CB 0.865 31.237 30.300 0.120 0.000 1.210 435 R HN 0.337 nan 8.270 nan 0.000 0.479 436 N N 0.531 119.349 118.700 0.196 0.000 2.444 436 N HA -0.030 4.711 4.740 0.001 0.000 0.255 436 N C 0.287 175.946 175.510 0.247 0.000 1.255 436 N CA -0.219 52.979 53.050 0.247 0.000 0.933 436 N CB 0.208 38.850 38.487 0.259 0.000 1.143 436 N HN 0.636 nan 8.380 nan 0.000 0.453 437 Y N 1.080 121.495 120.300 0.191 0.000 2.224 437 Y HA -0.188 4.363 4.550 0.001 0.000 0.289 437 Y C 1.608 177.596 175.900 0.147 0.000 1.146 437 Y CA 1.778 59.976 58.100 0.164 0.000 1.182 437 Y CB 0.036 38.596 38.460 0.168 0.000 0.983 437 Y HN 0.619 nan 8.280 nan 0.000 0.524 438 D N -2.186 118.342 120.400 0.213 0.000 2.349 438 D HA -0.074 4.567 4.640 0.001 0.000 0.224 438 D C 1.072 177.381 176.300 0.014 0.000 1.029 438 D CA 1.158 55.217 54.000 0.098 0.000 0.879 438 D CB -0.322 40.624 40.800 0.243 0.000 0.906 438 D HN 0.360 nan 8.370 nan 0.000 0.528 439 T N -1.093 113.473 114.554 0.020 0.000 7.578 439 T HA -0.163 4.188 4.350 0.001 0.000 0.299 439 T C 0.469 175.154 174.700 -0.026 0.000 2.097 439 T CA 1.216 63.310 62.100 -0.009 0.000 3.248 439 T CB -0.540 68.297 68.868 -0.052 0.000 2.014 439 T HN 0.223 nan 8.240 nan 0.000 1.198 440 K N 1.127 121.492 120.400 -0.059 0.000 2.209 440 K HA 0.687 5.008 4.320 0.001 0.000 0.238 440 K C 0.156 176.628 176.600 -0.213 0.000 1.028 440 K CA -0.301 55.877 56.287 -0.181 0.000 0.935 440 K CB 1.467 33.765 32.500 -0.338 0.000 1.162 440 K HN 0.220 nan 8.250 nan 0.000 0.485 441 S N -0.240 115.295 115.700 -0.275 0.000 2.482 441 S HA 0.331 4.802 4.470 0.001 0.000 0.303 441 S C -0.449 173.935 174.600 -0.360 0.000 1.091 441 S CA -0.509 57.563 58.200 -0.213 0.000 1.057 441 S CB 0.383 63.524 63.200 -0.097 0.000 1.031 441 S HN 0.535 nan 8.310 nan 0.000 0.485 442 H N 3.116 122.039 119.070 -0.245 0.000 2.520 442 H HA 0.419 4.976 4.556 0.001 0.000 0.284 442 H C 1.524 176.774 175.328 -0.131 0.000 1.037 442 H CA 0.467 56.380 56.048 -0.224 0.000 1.168 442 H CB 0.170 29.661 29.762 -0.451 0.000 1.497 442 H HN 1.009 nan 8.280 nan 0.000 0.547 443 G N 0.422 109.210 108.800 -0.020 0.000 2.550 443 G HA2 -0.345 3.616 3.960 0.001 0.000 0.277 443 G HA3 -0.345 3.616 3.960 0.001 0.000 0.277 443 G C 0.160 175.059 174.900 -0.002 0.000 1.190 443 G CA 0.139 45.231 45.100 -0.012 0.000 0.971 443 G HN 0.374 nan 8.290 nan 0.000 0.559 444 T N 1.457 116.011 114.554 -0.001 0.000 2.832 444 T HA 0.535 4.886 4.350 0.001 0.000 0.296 444 T C 0.341 175.051 174.700 0.016 0.000 0.968 444 T CA 0.460 62.559 62.100 -0.001 0.000 1.107 444 T CB 1.037 69.895 68.868 -0.017 0.000 0.916 444 T HN 1.687 nan 8.240 nan 0.000 0.517 445 V N 0.693 120.626 119.914 0.032 0.000 2.841 445 V HA 0.775 4.896 4.120 0.001 0.000 0.310 445 V C 0.066 176.195 176.094 0.059 0.000 1.090 445 V CA -1.380 60.958 62.300 0.063 0.000 0.930 445 V CB 1.779 33.682 31.823 0.134 0.000 1.014 445 V HN 0.889 nan 8.190 nan 0.000 0.425 446 S N 3.388 119.119 115.700 0.051 0.000 2.548 446 S HA 0.362 4.833 4.470 0.001 0.000 0.277 446 S C 1.182 175.819 174.600 0.062 0.000 1.315 446 S CA -0.018 58.217 58.200 0.058 0.000 1.050 446 S CB 0.727 63.971 63.200 0.073 0.000 0.918 446 S HN 1.471 nan 8.310 nan 0.000 0.497 447 I N 0.516 121.135 120.570 0.080 0.000 2.700 447 I HA -0.083 4.088 4.170 0.001 0.000 0.261 447 I C 1.933 177.949 176.117 -0.169 0.000 1.219 447 I CA 1.072 62.364 61.300 -0.014 0.000 1.463 447 I CB -0.574 37.493 38.000 0.112 0.000 1.092 447 I HN 0.835 nan 8.210 nan 0.000 0.452 448 Y N 2.459 122.667 120.300 -0.154 0.000 2.165 448 Y HA -0.281 4.270 4.550 0.001 0.000 0.286 448 Y C 2.101 177.863 175.900 -0.229 0.000 1.155 448 Y CA 2.046 60.039 58.100 -0.177 0.000 1.164 448 Y CB -0.140 38.257 38.460 -0.104 0.000 0.978 448 Y HN 0.208 nan 8.280 nan 0.000 0.513 449 D N 0.170 120.382 120.400 -0.314 0.000 2.137 449 D HA -0.069 4.572 4.640 0.001 0.000 0.202 449 D C 2.274 178.224 176.300 -0.584 0.000 0.970 449 D CA 1.192 54.907 54.000 -0.475 0.000 0.837 449 D CB -0.439 40.222 40.800 -0.233 0.000 0.981 449 D HN 0.482 nan 8.370 nan 0.000 0.475 450 A N 0.776 123.366 122.820 -0.384 0.000 2.076 450 A HA -0.151 4.170 4.320 0.001 0.000 0.220 450 A C 2.073 179.344 177.584 -0.520 0.000 1.160 450 A CA 0.990 52.809 52.037 -0.362 0.000 0.653 450 A CB -0.338 18.692 19.000 0.050 0.000 0.801 450 A HN 0.212 nan 8.150 nan 0.000 0.455 451 L N 0.166 121.008 121.223 -0.635 0.000 2.189 451 L HA 0.065 4.406 4.340 0.001 0.000 0.199 451 L C 2.439 179.016 176.870 -0.489 0.000 1.074 451 L CA 1.867 56.355 54.840 -0.587 0.000 0.783 451 L CB -0.557 41.084 42.059 -0.696 0.000 0.955 451 L HN 0.516 nan 8.230 nan 0.000 0.460 452 R N -0.686 119.476 120.500 -0.564 0.000 2.328 452 R HA -0.083 4.258 4.340 0.001 0.000 0.207 452 R C 1.096 177.114 176.300 -0.469 0.000 1.056 452 R CA 1.411 57.205 56.100 -0.510 0.000 1.016 452 R CB -0.356 29.574 30.300 -0.616 0.000 0.872 452 R HN 0.550 nan 8.270 nan 0.000 0.471 453 Q N -0.077 119.366 119.800 -0.595 0.000 2.164 453 Q HA 0.156 4.497 4.340 0.001 0.000 0.226 453 Q C -0.351 175.313 176.000 -0.559 0.000 0.813 453 Q CA -0.071 55.382 55.803 -0.584 0.000 0.978 453 Q CB 1.349 29.607 28.738 -0.799 0.000 1.149 453 Q HN 0.271 nan 8.270 nan 0.000 0.489 454 S N 1.121 116.509 115.700 -0.521 0.000 3.791 454 S HA -0.130 4.341 4.470 0.001 0.000 0.393 454 S C -0.366 174.187 174.600 -0.079 0.000 0.936 454 S CA -0.182 57.872 58.200 -0.243 0.000 1.234 454 S CB -1.101 62.018 63.200 -0.134 0.000 0.891 454 S HN 0.315 nan 8.310 nan 0.000 0.519 455 F N 1.613 121.544 119.950 -0.032 0.000 2.471 455 F HA 0.360 4.888 4.527 0.001 0.000 0.353 455 F C 1.671 177.512 175.800 0.068 0.000 1.113 455 F CA -1.012 56.992 58.000 0.006 0.000 1.262 455 F CB 0.357 39.315 39.000 -0.070 0.000 1.146 455 F HN 0.169 nan 8.300 nan 0.000 0.578 456 N N 1.458 120.335 118.700 0.295 0.000 2.387 456 N HA -0.013 4.728 4.740 0.001 0.000 0.176 456 N C 1.978 177.563 175.510 0.125 0.000 1.022 456 N CA 0.621 53.785 53.050 0.189 0.000 0.883 456 N CB 0.018 38.631 38.487 0.211 0.000 1.019 456 N HN 0.357 nan 8.380 nan 0.000 0.435 457 I N 1.713 122.357 120.570 0.123 0.000 2.142 457 I HA -0.131 4.040 4.170 0.001 0.000 0.240 457 I C -0.680 175.398 176.117 -0.065 0.000 1.078 457 I CA 1.385 62.680 61.300 -0.009 0.000 1.343 457 I CB -2.402 35.569 38.000 -0.047 0.000 1.046 457 I HN 0.004 nan 8.210 nan 0.000 0.405 458 P HA -0.134 nan 4.420 nan 0.000 0.216 458 P C 1.638 178.990 177.300 0.086 0.000 1.150 458 P CA 2.084 65.250 63.100 0.109 0.000 0.843 458 P CB -0.006 31.854 31.700 0.267 0.000 0.787 459 A N -1.150 121.713 122.820 0.072 0.000 1.968 459 A HA -0.097 4.224 4.320 0.001 0.000 0.217 459 A C 2.183 179.695 177.584 -0.120 0.000 1.169 459 A CA 1.081 53.010 52.037 -0.181 0.000 0.638 459 A CB -1.450 17.513 19.000 -0.062 0.000 0.812 459 A HN 0.114 nan 8.150 nan 0.000 0.446 460 L N -0.574 120.631 121.223 -0.031 0.000 2.027 460 L HA -0.165 4.176 4.340 0.001 0.000 0.206 460 L C 2.522 179.492 176.870 0.167 0.000 1.074 460 L CA 1.147 56.038 54.840 0.086 0.000 0.745 460 L CB -0.430 41.653 42.059 0.039 0.000 0.898 460 L HN 0.251 nan 8.230 nan 0.000 0.433 461 K N 0.521 120.919 120.400 -0.002 0.000 2.001 461 K HA -0.204 4.117 4.320 0.001 0.000 0.214 461 K C 2.176 178.814 176.600 0.063 0.000 1.050 461 K CA 1.775 58.068 56.287 0.010 0.000 0.934 461 K CB -0.863 31.606 32.500 -0.051 0.000 0.718 461 K HN 0.277 nan 8.250 nan 0.000 0.443 462 A N 0.910 123.756 122.820 0.044 0.000 1.917 462 A HA -0.211 4.110 4.320 0.001 0.000 0.219 462 A C 2.132 179.648 177.584 -0.113 0.000 1.182 462 A CA 1.877 53.924 52.037 0.015 0.000 0.633 462 A CB -1.115 17.769 19.000 -0.194 0.000 0.819 462 A HN 0.622 nan 8.150 nan 0.000 0.448 463 W N 0.582 121.724 121.300 -0.263 0.000 2.363 463 W HA -0.184 4.477 4.660 0.001 0.000 0.296 463 W C 2.104 178.529 176.519 -0.157 0.000 1.212 463 W CA 1.917 59.120 57.345 -0.236 0.000 1.260 463 W CB -0.264 29.068 29.460 -0.214 0.000 1.131 463 W HN 0.461 nan 8.180 nan 0.000 0.530 464 Q N -0.239 119.365 119.800 -0.328 0.000 2.172 464 Q HA -0.121 4.219 4.340 0.001 0.000 0.200 464 Q C 2.282 178.094 176.000 -0.313 0.000 0.964 464 Q CA 1.779 57.284 55.803 -0.496 0.000 0.855 464 Q CB -0.259 28.371 28.738 -0.180 0.000 0.918 464 Q HN 0.209 nan 8.270 nan 0.000 0.444 465 S N 0.146 115.750 115.700 -0.159 0.000 2.406 465 S HA -0.076 4.395 4.470 0.001 0.000 0.228 465 S C 2.044 176.511 174.600 -0.220 0.000 1.020 465 S CA 0.767 58.921 58.200 -0.077 0.000 0.965 465 S CB -0.018 63.285 63.200 0.171 0.000 0.798 465 S HN 0.125 nan 8.310 nan 0.000 0.488 466 V N 1.752 121.458 119.914 -0.347 0.000 2.548 466 V HA -0.083 4.038 4.120 0.001 0.000 0.249 466 V C 2.341 178.247 176.094 -0.314 0.000 1.055 466 V CA 1.426 63.504 62.300 -0.370 0.000 1.065 466 V CB -0.429 31.165 31.823 -0.381 0.000 0.681 466 V HN 0.385 nan 8.190 nan 0.000 0.462 467 K N -0.569 119.589 120.400 -0.403 0.000 2.148 467 K HA -0.165 4.156 4.320 0.001 0.000 0.204 467 K C 2.261 178.711 176.600 -0.250 0.000 1.050 467 K CA 1.302 57.356 56.287 -0.389 0.000 0.942 467 K CB 0.033 32.154 32.500 -0.632 0.000 0.724 467 K HN 0.548 nan 8.250 nan 0.000 0.446 468 Q N -0.201 119.473 119.800 -0.211 0.000 2.036 468 Q HA -0.029 4.312 4.340 0.001 0.000 0.195 468 Q C 1.399 177.340 176.000 -0.099 0.000 0.971 468 Q CA 1.082 56.807 55.803 -0.130 0.000 0.826 468 Q CB 0.096 28.779 28.738 -0.092 0.000 0.896 468 Q HN 0.209 nan 8.270 nan 0.000 0.449 469 N N -0.371 118.270 118.700 -0.099 0.000 2.521 469 N HA 0.039 4.780 4.740 0.001 0.000 0.188 469 N C 0.351 175.808 175.510 -0.088 0.000 1.146 469 N CA 0.822 53.830 53.050 -0.070 0.000 0.893 469 N CB 0.639 39.099 38.487 -0.045 0.000 0.975 469 N HN 0.206 nan 8.380 nan 0.000 0.451 470 A N -1.219 121.531 122.820 -0.116 0.000 2.606 470 A HA 0.625 4.946 4.320 0.001 0.000 0.230 470 A C 0.645 178.174 177.584 -0.090 0.000 1.279 470 A CA 0.316 52.291 52.037 -0.104 0.000 1.010 470 A CB 0.252 19.170 19.000 -0.137 0.000 1.271 470 A HN 0.228 nan 8.150 nan 0.000 0.584 471 G N -0.049 108.689 108.800 -0.103 0.000 2.674 471 G HA2 -0.135 3.826 3.960 0.001 0.000 0.686 471 G HA3 -0.135 3.826 3.960 0.001 0.000 0.686 471 G C 0.003 174.839 174.900 -0.107 0.000 1.195 471 G CA -0.154 44.894 45.100 -0.088 0.000 0.776 471 G HN 0.143 nan 8.290 nan 0.000 0.654 472 N N -0.169 118.472 118.700 -0.097 0.000 2.364 472 N HA -0.092 4.649 4.740 0.001 0.000 0.183 472 N C 0.634 176.108 175.510 -0.060 0.000 1.022 472 N CA 1.211 54.198 53.050 -0.104 0.000 0.883 472 N CB 0.194 38.633 38.487 -0.079 0.000 0.965 472 N HN 0.522 nan 8.380 nan 0.000 0.438 473 D N 0.135 120.512 120.400 -0.040 0.000 2.363 473 D HA 0.170 4.811 4.640 0.001 0.000 0.214 473 D C 1.455 177.751 176.300 -0.007 0.000 1.093 473 D CA -0.088 53.905 54.000 -0.012 0.000 0.837 473 D CB 0.370 41.166 40.800 -0.007 0.000 0.948 473 D HN 0.140 nan 8.370 nan 0.000 0.507 474 A N 1.800 124.601 122.820 -0.032 0.000 1.873 474 A HA -0.066 4.255 4.320 0.001 0.000 0.215 474 A C -0.246 177.350 177.584 0.020 0.000 1.186 474 A CA 1.089 53.111 52.037 -0.025 0.000 0.616 474 A CB -1.235 17.715 19.000 -0.082 0.000 0.823 474 A HN 0.133 nan 8.150 nan 0.000 0.442 475 P HA -0.210 nan 4.420 nan 0.000 0.214 475 P C 1.628 178.996 177.300 0.114 0.000 1.163 475 P CA 1.766 64.921 63.100 0.092 0.000 0.883 475 P CB -0.112 31.697 31.700 0.182 0.000 0.788 476 K N 0.434 120.875 120.400 0.068 0.000 2.044 476 K HA -0.235 4.086 4.320 0.001 0.000 0.210 476 K C 1.922 178.566 176.600 0.074 0.000 1.049 476 K CA 1.958 58.283 56.287 0.063 0.000 0.927 476 K CB -0.288 32.239 32.500 0.045 0.000 0.713 476 K HN -0.050 nan 8.250 nan 0.000 0.443 477 K N -0.199 120.236 120.400 0.058 0.000 2.026 477 K HA -0.152 4.169 4.320 0.001 0.000 0.208 477 K C 1.991 178.608 176.600 0.029 0.000 1.048 477 K CA 1.831 58.135 56.287 0.028 0.000 0.929 477 K CB -0.335 32.178 32.500 0.021 0.000 0.713 477 K HN 0.146 nan 8.250 nan 0.000 0.439 478 F N 1.263 121.185 119.950 -0.048 0.000 2.069 478 F HA -0.285 4.243 4.527 0.001 0.000 0.298 478 F C 2.171 177.927 175.800 -0.074 0.000 1.113 478 F CA 1.741 59.709 58.000 -0.053 0.000 1.214 478 F CB -0.285 38.695 39.000 -0.033 0.000 0.978 478 F HN 0.024 nan 8.300 nan 0.000 0.474 479 A N 0.074 122.951 122.820 0.095 0.000 1.933 479 A HA -0.052 4.268 4.320 0.001 0.000 0.218 479 A C 2.262 179.730 177.584 -0.193 0.000 1.175 479 A CA 1.513 53.524 52.037 -0.042 0.000 0.628 479 A CB -1.489 17.595 19.000 0.139 0.000 0.814 479 A HN 0.488 nan 8.150 nan 0.000 0.444 480 A N -0.630 122.126 122.820 -0.107 0.000 2.121 480 A HA -0.063 4.257 4.320 0.001 0.000 0.218 480 A C 1.991 179.421 177.584 -0.258 0.000 1.154 480 A CA 1.357 53.309 52.037 -0.140 0.000 0.679 480 A CB -0.261 18.705 19.000 -0.057 0.000 0.795 480 A HN 0.386 nan 8.150 nan 0.000 0.458 481 K N -0.478 119.735 120.400 -0.311 0.000 2.217 481 K HA 0.076 4.397 4.320 0.001 0.000 0.202 481 K C 0.946 177.211 176.600 -0.558 0.000 1.051 481 K CA 0.757 56.846 56.287 -0.329 0.000 0.952 481 K CB -0.167 32.136 32.500 -0.329 0.000 0.736 481 K HN 0.519 nan 8.250 nan 0.000 0.453 482 L N -0.127 120.713 121.223 -0.638 0.000 2.653 482 L HA 0.167 4.508 4.340 0.001 0.000 0.231 482 L C 0.974 177.452 176.870 -0.652 0.000 1.153 482 L CA 0.150 54.568 54.840 -0.704 0.000 0.933 482 L CB 0.255 41.886 42.059 -0.714 0.000 1.175 482 L HN 0.289 nan 8.230 nan 0.000 0.473 483 G N 0.309 108.717 108.800 -0.653 0.000 2.176 483 G HA2 -0.268 3.693 3.960 0.001 0.000 0.253 483 G HA3 -0.268 3.693 3.960 0.001 0.000 0.253 483 G C 0.237 174.940 174.900 -0.327 0.000 0.979 483 G CA -0.265 44.617 45.100 -0.363 0.000 0.641 483 G HN 0.235 nan 8.290 nan 0.000 0.530 484 L N 2.009 122.956 121.223 -0.460 0.000 2.315 484 L HA 0.362 4.703 4.340 0.001 0.000 0.278 484 L C -0.001 176.760 176.870 -0.182 0.000 1.088 484 L CA -0.724 53.734 54.840 -0.635 0.000 0.899 484 L CB 0.110 41.631 42.059 -0.896 0.000 1.277 484 L HN 0.111 nan 8.230 nan 0.000 0.431 485 N N 2.047 120.731 118.700 -0.027 0.000 2.489 485 N HA 0.454 5.195 4.740 0.001 0.000 0.284 485 N C -1.118 174.365 175.510 -0.045 0.000 1.158 485 N CA -0.347 52.731 53.050 0.046 0.000 0.965 485 N CB 1.850 40.352 38.487 0.025 0.000 1.195 485 N HN 0.223 nan 8.380 nan 0.000 0.506 486 Y N -0.005 120.354 120.300 0.098 0.000 2.346 486 Y HA 0.098 4.649 4.550 0.001 0.000 0.332 486 Y C 1.153 177.076 175.900 0.038 0.000 0.985 486 Y CA -0.656 57.489 58.100 0.075 0.000 1.112 486 Y CB 1.809 40.317 38.460 0.080 0.000 1.170 486 Y HN 0.542 nan 8.280 nan 0.000 0.447 487 E N 2.135 122.411 120.200 0.128 0.000 2.118 487 E HA -0.027 4.324 4.350 0.001 0.000 0.195 487 E C 1.048 177.704 176.600 0.093 0.000 0.992 487 E CA 1.717 58.164 56.400 0.080 0.000 0.804 487 E CB 0.123 29.846 29.700 0.038 0.000 0.741 487 E HN 0.892 nan 8.360 nan 0.000 0.458 488 G N -1.295 107.579 108.800 0.123 0.000 3.247 488 G HA2 0.249 4.209 3.960 0.001 0.000 0.199 488 G HA3 0.249 4.209 3.960 0.001 0.000 0.199 488 G C -1.075 173.882 174.900 0.095 0.000 1.172 488 G CA -0.496 44.660 45.100 0.094 0.000 0.844 488 G HN -0.023 nan 8.290 nan 0.000 0.619 489 D N 0.215 120.655 120.400 0.068 0.000 2.399 489 D HA 0.249 4.890 4.640 0.001 0.000 0.241 489 D C 0.133 176.439 176.300 0.010 0.000 1.133 489 D CA 0.280 54.309 54.000 0.048 0.000 0.890 489 D CB 1.171 42.004 40.800 0.056 0.000 1.201 489 D HN 0.096 nan 8.370 nan 0.000 0.432 490 I N 2.518 123.069 120.570 -0.032 0.000 2.276 490 I HA 0.241 4.412 4.170 0.001 0.000 0.290 490 I C 1.164 177.260 176.117 -0.035 0.000 1.109 490 I CA -0.410 60.800 61.300 -0.151 0.000 1.229 490 I CB 0.663 38.494 38.000 -0.281 0.000 1.452 490 I HN 0.199 nan 8.210 nan 0.000 0.497 491 G N 6.785 115.538 108.800 -0.078 0.000 2.588 491 G HA2 0.255 4.215 3.960 0.001 0.000 0.281 491 G HA3 0.255 4.215 3.960 0.001 0.000 0.281 491 G C -1.420 173.220 174.900 -0.432 0.000 1.236 491 G CA -0.921 44.137 45.100 -0.071 0.000 0.969 491 G HN 0.375 nan 8.290 nan 0.000 0.504 492 P HA -0.130 nan 4.420 nan 0.000 0.223 492 P C 1.804 178.820 177.300 -0.472 0.000 1.144 492 P CA 1.406 64.047 63.100 -0.765 0.000 0.783 492 P CB 0.302 31.669 31.700 -0.555 0.000 0.771 493 S N 0.681 116.297 115.700 -0.139 0.000 2.345 493 S HA -0.121 4.350 4.470 0.001 0.000 0.219 493 S C 1.898 176.467 174.600 -0.051 0.000 1.031 493 S CA 1.055 59.274 58.200 0.032 0.000 0.984 493 S CB -0.663 62.610 63.200 0.123 0.000 0.874 493 S HN 0.148 nan 8.310 nan 0.000 0.451 494 E N 1.072 121.213 120.200 -0.098 0.000 2.204 494 E HA -0.069 4.282 4.350 0.001 0.000 0.195 494 E C 2.206 178.723 176.600 -0.138 0.000 0.990 494 E CA 0.901 57.274 56.400 -0.045 0.000 0.821 494 E CB -0.782 28.910 29.700 -0.013 0.000 0.750 494 E HN 0.483 nan 8.360 nan 0.000 0.477 495 V N 1.760 121.449 119.914 -0.375 0.000 2.343 495 V HA -0.205 3.915 4.120 0.001 0.000 0.247 495 V C 2.312 178.275 176.094 -0.218 0.000 1.051 495 V CA 1.412 63.445 62.300 -0.445 0.000 1.036 495 V CB -0.408 30.899 31.823 -0.859 0.000 0.654 495 V HN 0.226 nan 8.190 nan 0.000 0.451 496 L N 0.040 121.167 121.223 -0.161 0.000 2.627 496 L HA 0.305 4.646 4.340 0.001 0.000 0.232 496 L C 1.583 178.473 176.870 0.033 0.000 1.150 496 L CA 0.798 55.616 54.840 -0.036 0.000 0.917 496 L CB -0.169 41.905 42.059 0.024 0.000 1.104 496 L HN 0.592 nan 8.230 nan 0.000 0.445 497 G N -0.625 108.195 108.800 0.033 0.000 2.176 497 G HA2 -0.217 3.744 3.960 0.001 0.000 0.232 497 G HA3 -0.217 3.744 3.960 0.001 0.000 0.232 497 G C 0.556 175.514 174.900 0.097 0.000 0.986 497 G CA -0.162 44.983 45.100 0.075 0.000 0.643 497 G HN 0.499 nan 8.290 nan 0.000 0.522 498 G N -0.714 108.142 108.800 0.093 0.000 2.508 498 G HA2 0.670 4.631 3.960 0.001 0.000 0.278 498 G HA3 0.670 4.631 3.960 0.001 0.000 0.278 498 G C 1.138 176.089 174.900 0.085 0.000 1.389 498 G CA 0.991 46.153 45.100 0.103 0.000 1.050 498 G HN 1.365 nan 8.290 nan 0.000 0.522 499 S N -1.325 114.423 115.700 0.081 0.000 4.046 499 S HA -0.335 4.136 4.470 0.001 0.000 0.572 499 S C 2.078 176.702 174.600 0.040 0.000 2.022 499 S CA 1.910 60.150 58.200 0.065 0.000 4.201 499 S CB -1.484 61.761 63.200 0.074 0.000 0.438 499 S HN 1.891 nan 8.310 nan 0.000 0.618 500 A N 0.387 123.246 122.820 0.066 0.000 2.239 500 A HA 0.310 4.631 4.320 0.001 0.000 0.209 500 A C 1.183 178.711 177.584 -0.094 0.000 1.171 500 A CA 1.034 53.084 52.037 0.022 0.000 0.768 500 A CB -0.332 18.754 19.000 0.144 0.000 0.790 500 A HN 0.523 nan 8.150 nan 0.000 0.478 501 S N 1.750 117.462 115.700 0.019 0.000 4.183 501 S HA 0.168 4.639 4.470 0.001 0.000 0.195 501 S C -0.336 174.110 174.600 -0.255 0.000 1.421 501 S CA -0.028 58.153 58.200 -0.032 0.000 0.920 501 S CB -0.496 62.828 63.200 0.206 0.000 1.525 501 S HN 0.568 nan 8.310 nan 0.000 0.447 502 E N 1.540 121.334 120.200 -0.676 0.000 2.185 502 E HA 0.507 4.858 4.350 0.001 0.000 0.261 502 E C -1.082 174.994 176.600 -0.873 0.000 0.879 502 E CA -0.377 55.725 56.400 -0.497 0.000 0.756 502 E CB 1.362 30.877 29.700 -0.308 0.000 1.152 502 E HN 0.321 nan 8.360 nan 0.000 0.416 503 F N 0.180 120.106 119.950 -0.040 0.000 2.643 503 F HA 0.276 4.804 4.527 0.001 0.000 0.314 503 F C 0.542 176.381 175.800 0.066 0.000 1.096 503 F CA -1.111 56.860 58.000 -0.048 0.000 0.953 503 F CB 1.675 40.623 39.000 -0.087 0.000 1.345 503 F HN 0.293 nan 8.300 nan 0.000 0.468 504 S N 0.573 116.425 115.700 0.252 0.000 2.617 504 S HA 0.337 4.808 4.470 0.001 0.000 0.269 504 S C -2.255 172.589 174.600 0.407 0.000 1.292 504 S CA -1.045 57.293 58.200 0.230 0.000 1.010 504 S CB 1.478 64.741 63.200 0.105 0.000 0.944 504 S HN 0.346 nan 8.310 nan 0.000 0.536 505 P HA -0.083 nan 4.420 nan 0.000 0.216 505 P C 1.380 178.851 177.300 0.285 0.000 1.150 505 P CA 1.467 64.862 63.100 0.491 0.000 0.843 505 P CB -0.289 31.602 31.700 0.318 0.000 0.787 506 T N -0.817 113.854 114.554 0.194 0.000 2.821 506 T HA -0.162 4.189 4.350 0.001 0.000 0.267 506 T C 1.818 176.593 174.700 0.125 0.000 1.046 506 T CA 1.215 63.392 62.100 0.130 0.000 1.139 506 T CB -0.567 68.388 68.868 0.144 0.000 0.871 506 T HN 0.315 nan 8.240 nan 0.000 0.454 507 Q N 0.343 120.226 119.800 0.139 0.000 2.079 507 Q HA 0.032 4.373 4.340 0.001 0.000 0.200 507 Q C 2.429 178.442 176.000 0.022 0.000 0.974 507 Q CA 1.018 56.865 55.803 0.074 0.000 0.840 507 Q CB -0.300 28.485 28.738 0.079 0.000 0.898 507 Q HN 0.449 nan 8.270 nan 0.000 0.430 508 L N 0.127 121.413 121.223 0.105 0.000 2.093 508 L HA -0.137 4.204 4.340 0.001 0.000 0.208 508 L C 2.534 179.595 176.870 0.318 0.000 1.085 508 L CA 0.911 55.857 54.840 0.178 0.000 0.755 508 L CB -0.779 41.424 42.059 0.240 0.000 0.904 508 L HN 0.220 nan 8.230 nan 0.000 0.435 509 A N -0.284 122.687 122.820 0.252 0.000 1.908 509 A HA -0.225 4.096 4.320 0.001 0.000 0.218 509 A C 2.541 180.218 177.584 0.154 0.000 1.181 509 A CA 2.252 54.424 52.037 0.226 0.000 0.627 509 A CB -0.612 18.477 19.000 0.148 0.000 0.818 509 A HN 0.384 nan 8.150 nan 0.000 0.445 510 S N -0.420 115.316 115.700 0.060 0.000 2.356 510 S HA -0.040 4.431 4.470 0.001 0.000 0.223 510 S C 2.354 176.925 174.600 -0.048 0.000 1.032 510 S CA 1.248 59.423 58.200 -0.041 0.000 1.005 510 S CB -0.518 62.644 63.200 -0.064 0.000 0.867 510 S HN 0.822 nan 8.310 nan 0.000 0.449 511 A N 0.739 123.498 122.820 -0.101 0.000 1.883 511 A HA -0.070 4.251 4.320 0.001 0.000 0.217 511 A C 1.895 179.329 177.584 -0.250 0.000 1.186 511 A CA 1.488 53.296 52.037 -0.381 0.000 0.624 511 A CB -0.952 17.463 19.000 -0.975 0.000 0.822 511 A HN 0.487 nan 8.150 nan 0.000 0.444 512 F N 0.033 119.998 119.950 0.026 0.000 2.186 512 F HA -0.033 4.494 4.527 0.001 0.000 0.299 512 F C 2.751 178.444 175.800 -0.179 0.000 1.090 512 F CA 0.936 58.953 58.000 0.030 0.000 1.307 512 F CB -0.280 38.824 39.000 0.173 0.000 1.019 512 F HN 0.253 nan 8.300 nan 0.000 0.489 513 A N 0.062 122.936 122.820 0.090 0.000 2.076 513 A HA -0.132 4.189 4.320 0.001 0.000 0.220 513 A C 2.344 179.887 177.584 -0.069 0.000 1.160 513 A CA 1.604 53.654 52.037 0.022 0.000 0.653 513 A CB -1.129 17.887 19.000 0.028 0.000 0.801 513 A HN 0.337 nan 8.150 nan 0.000 0.455 514 A N 0.374 123.135 122.820 -0.098 0.000 1.845 514 A HA -0.097 4.224 4.320 0.001 0.000 0.215 514 A C 2.063 179.564 177.584 -0.139 0.000 1.195 514 A CA 1.455 53.432 52.037 -0.100 0.000 0.616 514 A CB -0.684 18.259 19.000 -0.096 0.000 0.832 514 A HN 0.477 nan 8.150 nan 0.000 0.443 515 I N 0.068 120.507 120.570 -0.219 0.000 2.143 515 I HA -0.373 3.798 4.170 0.001 0.000 0.245 515 I C 2.721 178.579 176.117 -0.430 0.000 1.068 515 I CA 1.405 62.499 61.300 -0.344 0.000 1.326 515 I CB -0.347 37.322 38.000 -0.552 0.000 1.028 515 I HN 0.375 nan 8.210 nan 0.000 0.412 516 A N 1.075 123.620 122.820 -0.459 0.000 2.248 516 A HA -0.131 4.190 4.320 0.001 0.000 0.210 516 A C 1.173 178.796 177.584 0.066 0.000 1.174 516 A CA 1.646 53.552 52.037 -0.217 0.000 0.750 516 A CB -0.632 18.407 19.000 0.065 0.000 0.780 516 A HN 0.718 nan 8.150 nan 0.000 0.478 517 N N -3.393 115.314 118.700 0.012 0.000 2.390 517 N HA 0.284 5.025 4.740 0.001 0.000 0.259 517 N C 0.549 176.095 175.510 0.060 0.000 1.395 517 N CA 0.651 53.749 53.050 0.079 0.000 0.852 517 N CB -0.293 38.231 38.487 0.061 0.000 1.371 517 N HN 0.610 nan 8.380 nan 0.000 0.491 518 G N -0.964 107.867 108.800 0.052 0.000 2.175 518 G HA2 0.062 4.023 3.960 0.001 0.000 0.244 518 G HA3 0.062 4.023 3.960 0.001 0.000 0.244 518 G C 0.806 175.715 174.900 0.014 0.000 0.982 518 G CA 0.318 45.450 45.100 0.054 0.000 0.641 518 G HN 1.494 nan 8.290 nan 0.000 0.527 519 G N -1.476 107.314 108.800 -0.016 0.000 2.134 519 G HA2 0.179 4.140 3.960 0.001 0.000 0.209 519 G HA3 0.179 4.140 3.960 0.001 0.000 0.209 519 G C 0.494 175.377 174.900 -0.028 0.000 0.993 519 G CA 1.293 46.371 45.100 -0.038 0.000 0.669 519 G HN 2.290 nan 8.290 nan 0.000 0.519 520 T N -0.260 114.286 114.554 -0.012 0.000 2.771 520 T HA 0.559 4.910 4.350 0.001 0.000 0.291 520 T C 0.060 174.748 174.700 -0.021 0.000 0.954 520 T CA -0.548 61.552 62.100 -0.001 0.000 1.045 520 T CB 0.881 69.755 68.868 0.011 0.000 0.917 520 T HN 0.837 nan 8.240 nan 0.000 0.484 521 Y N 5.275 125.464 120.300 -0.185 0.000 2.304 521 Y HA 0.531 5.082 4.550 0.001 0.000 0.328 521 Y C -0.240 175.525 175.900 -0.224 0.000 1.123 521 Y CA -0.604 57.340 58.100 -0.260 0.000 1.218 521 Y CB 0.766 38.981 38.460 -0.409 0.000 1.207 521 Y HN 0.638 nan 8.280 nan 0.000 0.495 522 N N 5.286 123.399 118.700 -0.978 0.000 2.549 522 N HA 0.065 4.806 4.740 0.001 0.000 0.281 522 N C -1.685 173.294 175.510 -0.886 0.000 1.084 522 N CA -0.682 51.955 53.050 -0.688 0.000 0.862 522 N CB 1.007 39.337 38.487 -0.261 0.000 1.333 522 N HN 0.755 nan 8.380 nan 0.000 0.523 523 N N 1.258 119.490 118.700 -0.780 0.000 2.359 523 N HA 0.018 4.759 4.740 0.001 0.000 0.261 523 N C -0.034 175.459 175.510 -0.029 0.000 1.267 523 N CA -0.013 52.883 53.050 -0.256 0.000 0.864 523 N CB 0.582 39.133 38.487 0.106 0.000 1.063 523 N HN 0.536 nan 8.380 nan 0.000 0.474 524 A N 3.804 126.616 122.820 -0.013 0.000 2.546 524 A HA 0.239 4.560 4.320 0.001 0.000 0.243 524 A C -0.563 177.117 177.584 0.160 0.000 1.063 524 A CA 0.230 52.266 52.037 -0.002 0.000 0.757 524 A CB -0.449 18.554 19.000 0.004 0.000 0.991 524 A HN 0.995 nan 8.150 nan 0.000 0.503 525 H N -0.817 118.246 119.070 -0.011 0.000 2.966 525 H HA 0.546 5.103 4.556 0.001 0.000 0.347 525 H C 0.185 175.553 175.328 0.068 0.000 1.048 525 H CA -0.203 55.893 56.048 0.079 0.000 1.295 525 H CB 1.052 30.833 29.762 0.033 0.000 1.744 525 H HN 0.385 nan 8.280 nan 0.000 0.513 526 S N 3.107 118.916 115.700 0.182 0.000 2.475 526 S HA 0.201 4.671 4.470 0.001 0.000 0.224 526 S C 0.584 175.259 174.600 0.126 0.000 1.042 526 S CA -0.084 58.163 58.200 0.079 0.000 0.935 526 S CB 0.110 63.333 63.200 0.038 0.000 0.801 526 S HN 0.571 nan 8.310 nan 0.000 0.509 527 I N 2.219 122.835 120.570 0.077 0.000 2.365 527 I HA 0.264 4.435 4.170 0.001 0.000 0.291 527 I C 1.244 177.422 176.117 0.100 0.000 1.004 527 I CA -0.422 60.859 61.300 -0.031 0.000 1.311 527 I CB 1.535 39.253 38.000 -0.469 0.000 1.401 527 I HN 0.232 nan 8.210 nan 0.000 0.491 528 Q N 5.099 124.993 119.800 0.156 0.000 2.061 528 Q HA 0.038 4.379 4.340 0.001 0.000 0.195 528 Q C -0.146 176.000 176.000 0.244 0.000 0.967 528 Q CA 1.014 56.942 55.803 0.208 0.000 0.829 528 Q CB 0.393 29.244 28.738 0.188 0.000 0.900 528 Q HN 0.648 nan 8.270 nan 0.000 0.450 529 K N -1.303 119.248 120.400 0.251 0.000 2.610 529 K HA 0.468 4.789 4.320 0.001 0.000 0.278 529 K C -1.192 175.621 176.600 0.356 0.000 0.964 529 K CA -0.826 55.662 56.287 0.336 0.000 0.859 529 K CB 1.459 34.054 32.500 0.159 0.000 1.434 529 K HN -0.052 nan 8.250 nan 0.000 0.410 530 V N -1.183 118.986 119.914 0.425 0.000 2.628 530 V HA 0.761 4.882 4.120 0.001 0.000 0.306 530 V C -0.743 175.518 176.094 0.279 0.000 1.045 530 V CA -0.802 61.725 62.300 0.379 0.000 0.905 530 V CB 1.713 33.803 31.823 0.446 0.000 0.997 530 V HN 0.549 nan 8.190 nan 0.000 0.436 531 V N 4.147 124.215 119.914 0.257 0.000 2.378 531 V HA 0.485 4.606 4.120 0.001 0.000 0.288 531 V C 0.807 176.987 176.094 0.144 0.000 1.016 531 V CA 0.167 62.561 62.300 0.158 0.000 0.840 531 V CB 1.598 33.496 31.823 0.126 0.000 0.994 531 V HN 1.223 nan 8.190 nan 0.000 0.431 532 T N 1.977 116.595 114.554 0.107 0.000 2.813 532 T HA 0.199 4.549 4.350 0.001 0.000 0.297 532 T C 1.251 175.989 174.700 0.064 0.000 1.036 532 T CA -0.212 61.946 62.100 0.096 0.000 1.044 532 T CB 0.955 69.853 68.868 0.049 0.000 0.993 532 T HN 0.580 nan 8.240 nan 0.000 0.535 533 R N 0.971 121.510 120.500 0.064 0.000 2.119 533 R HA -0.184 4.157 4.340 0.001 0.000 0.246 533 R C 2.011 178.333 176.300 0.037 0.000 1.146 533 R CA 2.541 58.674 56.100 0.055 0.000 0.962 533 R CB -0.586 29.750 30.300 0.060 0.000 0.863 533 R HN 0.909 nan 8.270 nan 0.000 0.442 534 D N -2.496 117.912 120.400 0.013 0.000 2.077 534 D HA -0.081 4.560 4.640 0.001 0.000 0.196 534 D C 1.297 177.593 176.300 -0.006 0.000 0.986 534 D CA 1.686 55.683 54.000 -0.004 0.000 0.829 534 D CB -0.159 40.608 40.800 -0.055 0.000 0.983 534 D HN 0.464 nan 8.370 nan 0.000 0.453 535 G N 0.511 109.300 108.800 -0.018 0.000 4.470 535 G HA2 -0.109 3.852 3.960 0.001 0.000 0.220 535 G HA3 -0.109 3.852 3.960 0.001 0.000 0.220 535 G C -0.219 174.665 174.900 -0.028 0.000 0.780 535 G CA -0.199 44.892 45.100 -0.016 0.000 0.977 535 G HN 0.359 nan 8.290 nan 0.000 0.749 536 E N 1.024 121.201 120.200 -0.038 0.000 2.366 536 E HA 0.500 4.851 4.350 0.001 0.000 0.266 536 E C -0.713 175.879 176.600 -0.013 0.000 1.051 536 E CA 0.077 56.451 56.400 -0.043 0.000 0.884 536 E CB 0.661 30.316 29.700 -0.074 0.000 1.006 536 E HN -0.027 nan 8.360 nan 0.000 0.417 537 T N 5.290 119.833 114.554 -0.018 0.000 2.893 537 T HA 0.322 4.673 4.350 0.001 0.000 0.324 537 T C -0.500 174.203 174.700 0.005 0.000 1.082 537 T CA -0.544 61.556 62.100 -0.000 0.000 0.983 537 T CB -0.078 68.773 68.868 -0.027 0.000 1.005 537 T HN 0.307 nan 8.240 nan 0.000 0.475 538 I N 3.575 124.168 120.570 0.038 0.000 2.396 538 I HA 0.179 4.350 4.170 0.001 0.000 0.289 538 I C 0.752 176.899 176.117 0.050 0.000 1.056 538 I CA -0.212 61.087 61.300 -0.003 0.000 1.365 538 I CB 0.456 38.440 38.000 -0.027 0.000 1.407 538 I HN 0.356 nan 8.210 nan 0.000 0.509 539 E N 5.976 126.167 120.200 -0.015 0.000 2.200 539 E HA 0.253 4.604 4.350 0.001 0.000 0.283 539 E C -1.113 175.483 176.600 -0.008 0.000 1.015 539 E CA -0.467 55.959 56.400 0.044 0.000 0.819 539 E CB 1.100 30.808 29.700 0.012 0.000 1.081 539 E HN 0.328 nan 8.360 nan 0.000 0.397 540 Y N 1.900 122.238 120.300 0.063 0.000 2.352 540 Y HA 0.156 4.707 4.550 0.001 0.000 0.326 540 Y C 0.889 176.814 175.900 0.041 0.000 1.166 540 Y CA -0.224 57.919 58.100 0.071 0.000 1.182 540 Y CB 1.079 39.611 38.460 0.119 0.000 1.216 540 Y HN 0.415 nan 8.280 nan 0.000 0.474 541 D N 0.905 121.386 120.400 0.135 0.000 2.531 541 D HA 0.241 4.882 4.640 0.001 0.000 0.244 541 D C -1.182 175.127 176.300 0.016 0.000 1.090 541 D CA -0.581 53.424 54.000 0.008 0.000 0.989 541 D CB 1.850 42.592 40.800 -0.098 0.000 1.433 541 D HN 0.724 nan 8.370 nan 0.000 0.492 542 H N -2.080 116.898 119.070 -0.152 0.000 2.797 542 H HA 0.484 5.041 4.556 0.001 0.000 0.362 542 H C -0.710 174.568 175.328 -0.084 0.000 1.183 542 H CA -0.661 55.301 56.048 -0.143 0.000 1.197 542 H CB 0.725 30.253 29.762 -0.390 0.000 1.835 542 H HN 0.281 nan 8.280 nan 0.000 0.567 543 T N 1.296 115.910 114.554 0.100 0.000 2.884 543 T HA 0.324 4.675 4.350 0.001 0.000 0.298 543 T C 0.238 174.998 174.700 0.099 0.000 0.998 543 T CA -0.191 61.971 62.100 0.104 0.000 1.124 543 T CB 0.637 69.648 68.868 0.239 0.000 0.931 543 T HN 0.606 nan 8.240 nan 0.000 0.531 544 S N 2.371 118.089 115.700 0.031 0.000 2.556 544 S HA 0.666 5.137 4.470 0.001 0.000 0.271 544 S C -1.568 173.059 174.600 0.045 0.000 1.135 544 S CA -0.818 57.367 58.200 -0.025 0.000 0.858 544 S CB 1.119 64.293 63.200 -0.043 0.000 1.114 544 S HN 1.101 nan 8.310 nan 0.000 0.468 545 H N 0.524 119.674 119.070 0.134 0.000 2.947 545 H HA 0.256 4.812 4.556 0.001 0.000 0.273 545 H C -1.687 173.674 175.328 0.055 0.000 1.283 545 H CA -0.974 55.115 56.048 0.068 0.000 1.490 545 H CB 0.158 29.943 29.762 0.037 0.000 1.935 545 H HN 0.604 nan 8.280 nan 0.000 0.501 546 K N 1.046 121.559 120.400 0.188 0.000 2.491 546 K HA 0.186 4.506 4.320 0.001 0.000 0.279 546 K C 0.693 177.369 176.600 0.126 0.000 1.026 546 K CA 0.879 57.227 56.287 0.103 0.000 1.070 546 K CB 0.869 33.399 32.500 0.049 0.000 0.887 546 K HN 0.643 nan 8.250 nan 0.000 0.481 547 A N 4.662 127.499 122.820 0.028 0.000 2.035 547 A HA 0.115 4.435 4.320 0.001 0.000 0.208 547 A C 0.613 178.069 177.584 -0.213 0.000 1.206 547 A CA 0.415 52.388 52.037 -0.107 0.000 0.773 547 A CB 0.210 19.099 19.000 -0.185 0.000 0.878 547 A HN 0.796 nan 8.150 nan 0.000 0.469 548 M N -1.647 117.877 119.600 -0.126 0.000 2.578 548 M HA 0.540 5.021 4.480 0.001 0.000 0.276 548 M C -0.822 175.427 176.300 -0.085 0.000 1.245 548 M CA -0.677 54.578 55.300 -0.076 0.000 0.871 548 M CB 1.776 34.376 32.600 0.000 0.000 1.722 548 M HN 0.038 nan 8.290 nan 0.000 0.473 549 S N 0.063 115.668 115.700 -0.157 0.000 2.585 549 S HA 0.140 4.611 4.470 0.001 0.000 0.273 549 S C 0.540 174.983 174.600 -0.261 0.000 1.339 549 S CA 0.108 58.178 58.200 -0.217 0.000 1.028 549 S CB 0.566 63.583 63.200 -0.304 0.000 0.906 549 S HN 0.819 nan 8.310 nan 0.000 0.528 550 D N 1.688 122.036 120.400 -0.088 0.000 2.149 550 D HA -0.307 4.334 4.640 0.001 0.000 0.194 550 D C 1.683 178.020 176.300 0.061 0.000 1.001 550 D CA 2.198 56.206 54.000 0.013 0.000 0.849 550 D CB -0.997 39.848 40.800 0.074 0.000 0.939 550 D HN 0.868 nan 8.370 nan 0.000 0.449 551 Y N 0.077 120.440 120.300 0.105 0.000 2.200 551 Y HA 0.013 4.564 4.550 0.001 0.000 0.290 551 Y C 2.507 178.505 175.900 0.164 0.000 1.137 551 Y CA 1.204 59.389 58.100 0.141 0.000 1.163 551 Y CB -1.203 37.320 38.460 0.106 0.000 0.988 551 Y HN -0.129 nan 8.280 nan 0.000 0.518 552 T N 1.152 115.516 114.554 -0.317 0.000 2.652 552 T HA -0.243 4.108 4.350 0.001 0.000 0.267 552 T C 2.277 176.986 174.700 0.014 0.000 1.039 552 T CA 2.002 64.037 62.100 -0.109 0.000 1.153 552 T CB -0.788 67.958 68.868 -0.204 0.000 0.863 552 T HN 0.597 nan 8.240 nan 0.000 0.428 553 A N 0.335 123.152 122.820 -0.005 0.000 1.883 553 A HA -0.142 4.179 4.320 0.001 0.000 0.217 553 A C 2.113 179.720 177.584 0.039 0.000 1.186 553 A CA 1.876 53.914 52.037 0.002 0.000 0.624 553 A CB -1.095 17.899 19.000 -0.010 0.000 0.822 553 A HN 0.673 nan 8.150 nan 0.000 0.444 554 Y N -0.239 120.072 120.300 0.018 0.000 2.200 554 Y HA -0.151 4.400 4.550 0.001 0.000 0.290 554 Y C 2.356 178.306 175.900 0.083 0.000 1.137 554 Y CA 2.049 60.189 58.100 0.065 0.000 1.163 554 Y CB -0.209 38.320 38.460 0.116 0.000 0.988 554 Y HN 0.256 nan 8.280 nan 0.000 0.518 555 M N -1.019 118.636 119.600 0.092 0.000 2.175 555 M HA -0.186 4.295 4.480 0.001 0.000 0.264 555 M C 1.830 178.118 176.300 -0.021 0.000 1.063 555 M CA 1.090 56.405 55.300 0.026 0.000 1.119 555 M CB -0.290 32.410 32.600 0.166 0.000 1.377 555 M HN 0.307 nan 8.290 nan 0.000 0.415 556 L N 0.330 121.547 121.223 -0.010 0.000 2.027 556 L HA -0.063 4.278 4.340 0.001 0.000 0.206 556 L C 2.783 179.650 176.870 -0.005 0.000 1.074 556 L CA 2.077 56.908 54.840 -0.016 0.000 0.745 556 L CB -1.458 40.580 42.059 -0.035 0.000 0.898 556 L HN 0.224 nan 8.230 nan 0.000 0.433 557 A N -1.033 121.729 122.820 -0.096 0.000 1.948 557 A HA -0.206 4.115 4.320 0.001 0.000 0.220 557 A C 2.210 179.783 177.584 -0.017 0.000 1.177 557 A CA 1.694 53.659 52.037 -0.119 0.000 0.636 557 A CB -0.363 18.317 19.000 -0.534 0.000 0.815 557 A HN 0.438 nan 8.150 nan 0.000 0.449 558 E N -0.547 119.569 120.200 -0.140 0.000 2.076 558 E HA -0.083 4.268 4.350 0.001 0.000 0.190 558 E C 2.161 178.801 176.600 0.066 0.000 0.979 558 E CA 1.108 57.455 56.400 -0.089 0.000 0.807 558 E CB -0.420 29.090 29.700 -0.318 0.000 0.761 558 E HN 0.734 nan 8.360 nan 0.000 0.454 559 M N 0.410 120.059 119.600 0.081 0.000 2.108 559 M HA -0.147 4.334 4.480 0.001 0.000 0.261 559 M C 2.338 178.698 176.300 0.099 0.000 1.066 559 M CA 1.341 56.769 55.300 0.212 0.000 1.107 559 M CB -0.342 32.323 32.600 0.109 0.000 1.356 559 M HN 0.036 nan 8.290 nan 0.000 0.406 560 L N -0.337 120.917 121.223 0.053 0.000 2.376 560 L HA -0.138 4.203 4.340 0.001 0.000 0.219 560 L C 2.238 179.065 176.870 -0.071 0.000 1.133 560 L CA 0.769 55.596 54.840 -0.022 0.000 0.816 560 L CB -0.482 41.661 42.059 0.140 0.000 0.933 560 L HN 0.299 nan 8.230 nan 0.000 0.449 561 K N 0.184 120.627 120.400 0.071 0.000 2.209 561 K HA -0.110 4.211 4.320 0.001 0.000 0.204 561 K C 1.937 178.612 176.600 0.125 0.000 1.048 561 K CA 1.129 57.507 56.287 0.152 0.000 0.940 561 K CB -0.237 32.394 32.500 0.219 0.000 0.729 561 K HN 0.372 nan 8.250 nan 0.000 0.451 562 G N -0.209 108.644 108.800 0.088 0.000 2.776 562 G HA2 -0.138 3.823 3.960 0.001 0.000 0.209 562 G HA3 -0.138 3.823 3.960 0.001 0.000 0.209 562 G C 1.220 176.014 174.900 -0.176 0.000 1.145 562 G CA 0.511 45.623 45.100 0.022 0.000 0.791 562 G HN 0.182 nan 8.290 nan 0.000 0.530 563 T N 0.389 114.782 114.554 -0.268 0.000 2.904 563 T HA 0.008 4.359 4.350 0.001 0.000 0.267 563 T C 1.693 176.211 174.700 -0.302 0.000 1.059 563 T CA 0.554 62.417 62.100 -0.395 0.000 1.137 563 T CB -0.258 68.244 68.868 -0.610 0.000 0.879 563 T HN 0.390 nan 8.240 nan 0.000 0.467 564 F N 0.842 120.792 119.950 -0.000 0.000 2.789 564 F HA 0.253 4.780 4.527 0.001 0.000 0.300 564 F C 1.185 177.109 175.800 0.207 0.000 1.132 564 F CA -0.029 58.015 58.000 0.073 0.000 1.404 564 F CB 0.199 39.224 39.000 0.042 0.000 1.114 564 F HN -0.178 nan 8.300 nan 0.000 0.584 565 K N 1.014 121.577 120.400 0.272 0.000 2.118 565 K HA 0.247 4.568 4.320 0.001 0.000 0.264 565 K C -2.412 174.157 176.600 -0.051 0.000 1.000 565 K CA -1.954 54.450 56.287 0.195 0.000 0.929 565 K CB 0.227 32.807 32.500 0.134 0.000 1.021 565 K HN -0.284 nan 8.250 nan 0.000 0.463 566 P HA -0.151 nan 4.420 nan 0.000 0.263 566 P C -0.848 176.206 177.300 -0.410 0.000 1.168 566 P CA 0.896 63.283 63.100 -1.188 0.000 0.759 566 P CB 0.033 31.209 31.700 -0.872 0.000 0.782 567 Y N -1.091 119.002 120.300 -0.345 0.000 4.779 567 Y HA -0.249 4.302 4.550 0.001 0.000 0.284 567 Y C 1.383 177.194 175.900 -0.149 0.000 0.973 567 Y CA 1.100 59.114 58.100 -0.142 0.000 1.792 567 Y CB -2.222 36.162 38.460 -0.126 0.000 1.120 567 Y HN 0.530 nan 8.280 nan 0.000 0.450 568 G N 0.790 109.562 108.800 -0.045 0.000 2.442 568 G HA2 0.351 4.312 3.960 0.001 0.000 0.249 568 G HA3 0.351 4.312 3.960 0.001 0.000 0.249 568 G C 0.855 175.722 174.900 -0.054 0.000 1.263 568 G CA 0.062 45.102 45.100 -0.100 0.000 0.846 568 G HN 0.593 nan 8.290 nan 0.000 0.555 569 S N 0.603 116.225 115.700 -0.131 0.000 2.493 569 S HA 0.044 4.515 4.470 0.001 0.000 0.243 569 S C 1.490 176.075 174.600 -0.025 0.000 0.991 569 S CA 1.021 59.175 58.200 -0.078 0.000 0.957 569 S CB 0.137 63.249 63.200 -0.147 0.000 0.756 569 S HN 1.230 nan 8.310 nan 0.000 0.521 570 A N -0.131 122.649 122.820 -0.066 0.000 2.643 570 A HA 0.418 4.739 4.320 0.001 0.000 0.295 570 A C -0.148 177.569 177.584 0.222 0.000 1.065 570 A CA -0.757 51.298 52.037 0.029 0.000 0.986 570 A CB -0.398 18.478 19.000 -0.207 0.000 1.212 570 A HN 0.559 nan 8.150 nan 0.000 0.516 571 Y N 0.868 121.201 120.300 0.055 0.000 2.650 571 Y HA 0.300 4.851 4.550 0.001 0.000 0.331 571 Y C 1.380 177.270 175.900 -0.017 0.000 1.165 571 Y CA 1.650 59.776 58.100 0.043 0.000 1.473 571 Y CB 0.315 38.750 38.460 -0.041 0.000 1.224 571 Y HN 0.719 nan 8.280 nan 0.000 0.533 572 G N 4.022 112.479 108.800 -0.572 0.000 2.195 572 G HA2 -0.274 3.687 3.960 0.001 0.000 0.224 572 G HA3 -0.274 3.687 3.960 0.001 0.000 0.224 572 G C 0.554 175.147 174.900 -0.512 0.000 0.990 572 G CA 0.239 44.907 45.100 -0.720 0.000 0.639 572 G HN 0.727 nan 8.290 nan 0.000 0.514 573 H N 0.847 119.893 119.070 -0.040 0.000 2.652 573 H HA 0.366 4.923 4.556 0.001 0.000 0.274 573 H C 1.774 177.052 175.328 -0.084 0.000 1.021 573 H CA 0.545 56.588 56.048 -0.008 0.000 1.187 573 H CB 0.473 30.242 29.762 0.011 0.000 1.505 573 H HN 0.524 nan 8.280 nan 0.000 0.530 574 G N 0.926 109.549 108.800 -0.295 0.000 2.572 574 G HA2 0.327 4.288 3.960 0.001 0.000 0.261 574 G HA3 0.327 4.288 3.960 0.001 0.000 0.261 574 G C 0.016 174.667 174.900 -0.416 0.000 1.197 574 G CA -0.309 44.233 45.100 -0.930 0.000 0.870 574 G HN 0.018 nan 8.290 nan 0.000 0.548 575 V N 0.271 119.956 119.914 -0.382 0.000 2.743 575 V HA 0.244 4.365 4.120 0.001 0.000 0.301 575 V C 1.487 177.478 176.094 -0.172 0.000 1.057 575 V CA 0.025 62.194 62.300 -0.218 0.000 1.006 575 V CB 1.439 33.150 31.823 -0.186 0.000 1.024 575 V HN 0.902 nan 8.190 nan 0.000 0.473 576 S N 3.321 118.952 115.700 -0.115 0.000 2.355 576 S HA -0.073 4.398 4.470 0.001 0.000 0.210 576 S C 1.791 176.351 174.600 -0.068 0.000 1.035 576 S CA 1.717 59.868 58.200 -0.082 0.000 1.011 576 S CB -0.679 62.485 63.200 -0.060 0.000 1.000 576 S HN 1.070 nan 8.310 nan 0.000 0.423 577 G N 0.793 109.558 108.800 -0.059 0.000 2.956 577 G HA2 0.246 4.207 3.960 0.001 0.000 0.207 577 G HA3 0.246 4.207 3.960 0.001 0.000 0.207 577 G C 0.004 174.869 174.900 -0.059 0.000 1.162 577 G CA 0.029 45.100 45.100 -0.049 0.000 0.796 577 G HN 0.398 nan 8.290 nan 0.000 0.527 578 V N 1.262 121.130 119.914 -0.076 0.000 2.427 578 V HA 0.253 4.374 4.120 0.001 0.000 0.286 578 V C -0.516 175.524 176.094 -0.090 0.000 1.034 578 V CA -1.340 60.909 62.300 -0.086 0.000 0.893 578 V CB 1.555 33.323 31.823 -0.091 0.000 0.982 578 V HN 0.113 nan 8.190 nan 0.000 0.452 579 N N 6.456 125.088 118.700 -0.114 0.000 2.401 579 N HA 0.511 5.252 4.740 0.001 0.000 0.255 579 N C -0.544 174.906 175.510 -0.100 0.000 1.110 579 N CA 0.000 52.968 53.050 -0.137 0.000 0.949 579 N CB 0.987 39.308 38.487 -0.276 0.000 1.110 579 N HN 0.803 nan 8.380 nan 0.000 0.490 580 M N -0.475 119.169 119.600 0.073 0.000 2.421 580 M HA 0.674 5.155 4.480 0.001 0.000 0.287 580 M C -0.383 176.091 176.300 0.290 0.000 1.183 580 M CA -1.045 54.386 55.300 0.219 0.000 0.916 580 M CB 2.067 34.738 32.600 0.119 0.000 1.701 580 M HN 0.202 nan 8.290 nan 0.000 0.470 581 G N 0.984 109.754 108.800 -0.049 0.000 2.511 581 G HA2 0.957 4.918 3.960 0.001 0.000 0.318 581 G HA3 0.957 4.918 3.960 0.001 0.000 0.318 581 G C -1.738 172.625 174.900 -0.897 0.000 1.210 581 G CA -0.595 44.285 45.100 -0.367 0.000 0.969 581 G HN 1.177 nan 8.290 nan 0.000 0.484 582 A N 0.459 122.860 122.820 -0.698 0.000 2.610 582 A HA 0.832 5.153 4.320 0.001 0.000 0.291 582 A C -1.322 175.978 177.584 -0.474 0.000 1.086 582 A CA -0.673 50.965 52.037 -0.667 0.000 0.677 582 A CB 2.290 20.807 19.000 -0.805 0.000 1.278 582 A HN 0.554 nan 8.150 nan 0.000 0.414 583 K N 1.518 121.660 120.400 -0.430 0.000 2.541 583 K HA 0.551 4.872 4.320 0.001 0.000 0.250 583 K C -0.554 175.866 176.600 -0.299 0.000 0.950 583 K CA -0.000 56.114 56.287 -0.287 0.000 0.805 583 K CB 1.629 34.108 32.500 -0.035 0.000 1.166 583 K HN 1.073 nan 8.250 nan 0.000 0.430 584 T N -0.264 114.138 114.554 -0.254 0.000 2.918 584 T HA 0.745 5.095 4.350 0.001 0.000 0.283 584 T C 0.457 175.097 174.700 -0.099 0.000 1.001 584 T CA -0.759 61.225 62.100 -0.193 0.000 1.041 584 T CB 1.713 70.453 68.868 -0.214 0.000 1.028 584 T HN 0.493 nan 8.240 nan 0.000 0.511 585 G N 0.229 109.026 108.800 -0.006 0.000 2.566 585 G HA2 0.580 4.540 3.960 0.001 0.000 0.311 585 G HA3 0.580 4.540 3.960 0.001 0.000 0.311 585 G C -1.075 173.867 174.900 0.069 0.000 1.322 585 G CA -0.719 44.410 45.100 0.047 0.000 0.969 585 G HN 0.819 nan 8.290 nan 0.000 0.490 586 T N 0.615 115.177 114.554 0.015 0.000 2.881 586 T HA 0.635 4.986 4.350 0.001 0.000 0.291 586 T C 0.055 174.779 174.700 0.040 0.000 0.990 586 T CA -0.359 61.718 62.100 -0.039 0.000 0.976 586 T CB 1.618 70.373 68.868 -0.189 0.000 0.970 586 T HN 0.838 nan 8.240 nan 0.000 0.438 587 G N 2.523 111.372 108.800 0.081 0.000 2.502 587 G HA2 0.548 4.509 3.960 0.001 0.000 0.311 587 G HA3 0.548 4.509 3.960 0.001 0.000 0.311 587 G C 0.316 175.254 174.900 0.064 0.000 1.270 587 G CA -0.640 44.528 45.100 0.115 0.000 0.948 587 G HN 0.759 nan 8.290 nan 0.000 0.487 588 T N -0.019 114.616 114.554 0.135 0.000 2.732 588 T HA 0.480 4.831 4.350 0.001 0.000 0.287 588 T C 0.056 174.787 174.700 0.052 0.000 0.993 588 T CA -0.271 61.946 62.100 0.196 0.000 0.966 588 T CB 0.768 69.881 68.868 0.410 0.000 1.047 588 T HN 0.305 nan 8.240 nan 0.000 0.527 589 Y N -0.443 119.905 120.300 0.080 0.000 2.374 589 Y HA 0.528 5.078 4.550 0.001 0.000 0.322 589 Y C 1.500 177.437 175.900 0.061 0.000 1.275 589 Y CA -0.277 57.770 58.100 -0.088 0.000 1.307 589 Y CB 0.472 38.627 38.460 -0.508 0.000 1.282 589 Y HN 1.045 nan 8.280 nan 0.000 0.509 590 G N 0.084 109.025 108.800 0.235 0.000 2.484 590 G HA2 0.243 4.204 3.960 0.001 0.000 0.235 590 G HA3 0.243 4.204 3.960 0.001 0.000 0.235 590 G C 0.748 175.823 174.900 0.292 0.000 1.282 590 G CA 0.101 45.333 45.100 0.220 0.000 0.857 590 G HN 0.926 nan 8.290 nan 0.000 0.571 591 A N 1.162 124.153 122.820 0.285 0.000 2.019 591 A HA -0.050 4.271 4.320 0.001 0.000 0.219 591 A C 2.217 179.954 177.584 0.256 0.000 1.164 591 A CA 1.828 54.057 52.037 0.321 0.000 0.644 591 A CB -0.180 18.917 19.000 0.163 0.000 0.805 591 A HN 0.767 nan 8.150 nan 0.000 0.449 592 E N -0.343 119.963 120.200 0.177 0.000 2.112 592 E HA -0.113 4.238 4.350 0.001 0.000 0.190 592 E C 1.490 178.170 176.600 0.134 0.000 0.979 592 E CA 1.680 58.157 56.400 0.129 0.000 0.814 592 E CB -1.360 28.396 29.700 0.093 0.000 0.762 592 E HN 0.382 nan 8.360 nan 0.000 0.460 593 T N 0.592 115.230 114.554 0.140 0.000 3.007 593 T HA -0.056 4.295 4.350 0.001 0.000 0.270 593 T C 1.380 176.097 174.700 0.028 0.000 1.107 593 T CA 0.782 62.949 62.100 0.111 0.000 1.118 593 T CB -0.446 68.476 68.868 0.090 0.000 0.889 593 T HN 0.216 nan 8.240 nan 0.000 0.506 594 Y N 1.273 121.615 120.300 0.070 0.000 2.274 594 Y HA -0.136 4.415 4.550 0.001 0.000 0.290 594 Y C 2.909 178.824 175.900 0.025 0.000 1.145 594 Y CA 1.017 59.139 58.100 0.036 0.000 1.203 594 Y CB -0.034 38.466 38.460 0.068 0.000 0.984 594 Y HN 0.174 nan 8.280 nan 0.000 0.533 595 S N -1.002 114.800 115.700 0.170 0.000 2.387 595 S HA -0.163 4.308 4.470 0.001 0.000 0.221 595 S C 1.914 176.514 174.600 -0.001 0.000 1.041 595 S CA 0.468 58.717 58.200 0.082 0.000 0.959 595 S CB -0.220 63.018 63.200 0.063 0.000 0.843 595 S HN 0.433 nan 8.310 nan 0.000 0.488 596 Q N -0.416 119.367 119.800 -0.028 0.000 2.217 596 Q HA -0.187 4.154 4.340 0.001 0.000 0.209 596 Q C 0.416 176.170 176.000 -0.409 0.000 0.988 596 Q CA 1.614 57.298 55.803 -0.198 0.000 0.878 596 Q CB -0.053 28.569 28.738 -0.194 0.000 0.909 596 Q HN 0.659 nan 8.270 nan 0.000 0.424 597 Y N -0.540 119.668 120.300 -0.153 0.000 2.612 597 Y HA 0.240 4.791 4.550 0.001 0.000 0.250 597 Y C -0.158 175.584 175.900 -0.263 0.000 1.175 597 Y CA -0.558 57.395 58.100 -0.245 0.000 1.205 597 Y CB 0.736 39.023 38.460 -0.288 0.000 1.201 597 Y HN 0.052 nan 8.280 nan 0.000 0.532 598 N N 1.435 120.114 118.700 -0.034 0.000 2.705 598 N HA -0.202 4.539 4.740 0.001 0.000 0.255 598 N C -0.921 174.648 175.510 0.099 0.000 1.008 598 N CA 0.738 53.814 53.050 0.043 0.000 0.742 598 N CB -1.201 37.325 38.487 0.065 0.000 0.906 598 N HN 0.391 nan 8.380 nan 0.000 0.541 599 L N 1.039 122.323 121.223 0.101 0.000 2.349 599 L HA 0.369 4.710 4.340 0.001 0.000 0.275 599 L C -1.252 175.766 176.870 0.246 0.000 1.115 599 L CA -1.433 53.474 54.840 0.113 0.000 0.820 599 L CB 0.467 42.489 42.059 -0.061 0.000 1.135 599 L HN -0.028 nan 8.230 nan 0.000 0.445 600 P HA 0.019 nan 4.420 nan 0.000 0.271 600 P C -0.351 177.081 177.300 0.221 0.000 1.244 600 P CA -0.327 62.883 63.100 0.184 0.000 0.793 600 P CB 0.854 32.647 31.700 0.154 0.000 0.984 601 D N 0.128 120.591 120.400 0.106 0.000 2.144 601 D HA -0.130 4.510 4.640 0.001 0.000 0.199 601 D C 1.034 177.402 176.300 0.114 0.000 0.984 601 D CA 1.430 55.438 54.000 0.012 0.000 0.834 601 D CB -0.594 40.173 40.800 -0.055 0.000 0.955 601 D HN 0.500 nan 8.370 nan 0.000 0.465 602 N N 0.487 119.292 118.700 0.175 0.000 2.597 602 N HA 0.204 4.944 4.740 0.001 0.000 0.269 602 N C -0.759 174.984 175.510 0.388 0.000 1.204 602 N CA -0.217 53.004 53.050 0.286 0.000 0.947 602 N CB 0.005 38.637 38.487 0.242 0.000 1.258 602 N HN -0.090 nan 8.380 nan 0.000 0.508 603 A N -0.071 123.030 122.820 0.468 0.000 2.260 603 A HA 0.795 5.116 4.320 0.001 0.000 0.314 603 A C -0.197 177.725 177.584 0.563 0.000 1.257 603 A CA -0.680 51.636 52.037 0.463 0.000 0.871 603 A CB 0.718 19.943 19.000 0.375 0.000 1.166 603 A HN 0.485 nan 8.150 nan 0.000 0.522 604 A N 2.187 125.296 122.820 0.483 0.000 2.355 604 A HA 0.664 4.985 4.320 0.001 0.000 0.324 604 A C 0.691 178.446 177.584 0.285 0.000 1.117 604 A CA -0.478 51.757 52.037 0.330 0.000 0.785 604 A CB 1.263 20.388 19.000 0.208 0.000 1.254 604 A HN 0.923 nan 8.150 nan 0.000 0.453 605 K N 0.195 120.471 120.400 -0.206 0.000 2.168 605 K HA 0.077 4.398 4.320 0.001 0.000 0.201 605 K C -0.820 175.823 176.600 0.073 0.000 1.049 605 K CA 1.258 57.340 56.287 -0.342 0.000 0.974 605 K CB 0.168 32.051 32.500 -1.029 0.000 0.792 605 K HN 0.830 nan 8.250 nan 0.000 0.463 606 D N 0.757 121.162 120.400 0.008 0.000 2.646 606 D HA 0.240 4.881 4.640 0.001 0.000 0.245 606 D C -1.442 174.705 176.300 -0.254 0.000 1.099 606 D CA -0.750 53.212 54.000 -0.063 0.000 0.849 606 D CB 2.426 43.432 40.800 0.344 0.000 1.448 606 D HN 0.008 nan 8.370 nan 0.000 0.489 607 V N -1.215 118.270 119.914 -0.715 0.000 2.588 607 V HA 0.797 4.918 4.120 0.001 0.000 0.304 607 V C -1.384 174.371 176.094 -0.564 0.000 1.042 607 V CA -0.809 61.128 62.300 -0.606 0.000 0.877 607 V CB 1.166 32.419 31.823 -0.950 0.000 0.996 607 V HN 0.554 nan 8.190 nan 0.000 0.425 608 W N 3.395 124.520 121.300 -0.292 0.000 2.781 608 W HA 0.836 5.497 4.660 0.001 0.000 0.345 608 W C -0.535 175.830 176.519 -0.256 0.000 1.085 608 W CA -0.706 56.528 57.345 -0.185 0.000 1.198 608 W CB 2.039 31.479 29.460 -0.034 0.000 1.423 608 W HN 0.713 nan 8.180 nan 0.000 0.532 609 I N 3.117 123.684 120.570 -0.005 0.000 2.533 609 I HA 0.392 4.563 4.170 0.001 0.000 0.290 609 I C -1.197 174.812 176.117 -0.179 0.000 1.056 609 I CA -0.796 60.391 61.300 -0.189 0.000 1.057 609 I CB 1.176 38.949 38.000 -0.378 0.000 1.240 609 I HN 0.446 nan 8.210 nan 0.000 0.423 610 N N 6.305 124.795 118.700 -0.350 0.000 2.524 610 N HA 0.419 5.160 4.740 0.001 0.000 0.261 610 N C -0.576 174.633 175.510 -0.502 0.000 0.998 610 N CA -0.427 52.355 53.050 -0.446 0.000 0.915 610 N CB 2.182 40.124 38.487 -0.909 0.000 1.187 610 N HN 0.706 nan 8.380 nan 0.000 0.507 611 G N 1.241 109.897 108.800 -0.241 0.000 2.453 611 G HA2 0.779 4.740 3.960 0.001 0.000 0.323 611 G HA3 0.779 4.740 3.960 0.001 0.000 0.323 611 G C -1.080 173.983 174.900 0.271 0.000 1.198 611 G CA -0.603 44.432 45.100 -0.109 0.000 0.959 611 G HN 0.434 nan 8.290 nan 0.000 0.482 612 F N -0.394 119.745 119.950 0.314 0.000 2.604 612 F HA 0.729 5.257 4.527 0.001 0.000 0.316 612 F C -0.064 176.012 175.800 0.459 0.000 1.136 612 F CA -1.151 57.050 58.000 0.334 0.000 0.989 612 F CB 1.426 40.582 39.000 0.259 0.000 1.258 612 F HN 0.677 nan 8.300 nan 0.000 0.451 613 T N -0.902 113.978 114.554 0.543 0.000 2.938 613 T HA 0.551 4.902 4.350 0.001 0.000 0.285 613 T C -2.405 172.595 174.700 0.500 0.000 1.028 613 T CA -2.420 59.940 62.100 0.433 0.000 1.005 613 T CB 1.990 70.949 68.868 0.152 0.000 1.157 613 T HN 0.318 nan 8.240 nan 0.000 0.550 614 P HA -0.095 nan 4.420 nan 0.000 0.219 614 P C 1.426 178.791 177.300 0.108 0.000 1.146 614 P CA 1.083 64.303 63.100 0.201 0.000 0.808 614 P CB 0.166 31.837 31.700 -0.047 0.000 0.779 615 Q N -1.742 118.052 119.800 -0.010 0.000 2.141 615 Q HA -0.004 4.337 4.340 0.001 0.000 0.194 615 Q C -0.009 175.874 176.000 -0.195 0.000 0.975 615 Q CA 0.685 56.355 55.803 -0.221 0.000 0.834 615 Q CB 0.029 28.471 28.738 -0.492 0.000 0.916 615 Q HN 0.177 nan 8.270 nan 0.000 0.484 616 Y N 0.251 120.622 120.300 0.119 0.000 2.409 616 Y HA 0.416 4.966 4.550 0.001 0.000 0.339 616 Y C -0.675 175.342 175.900 0.194 0.000 1.033 616 Y CA -1.298 56.870 58.100 0.113 0.000 1.094 616 Y CB 2.362 40.860 38.460 0.063 0.000 1.210 616 Y HN -0.098 nan 8.280 nan 0.000 0.456 617 T N 4.602 119.373 114.554 0.362 0.000 2.797 617 T HA 0.485 4.836 4.350 0.001 0.000 0.279 617 T C -0.799 174.061 174.700 0.267 0.000 0.991 617 T CA -0.668 61.644 62.100 0.352 0.000 0.979 617 T CB 0.873 69.926 68.868 0.307 0.000 0.943 617 T HN 0.568 nan 8.240 nan 0.000 0.444 618 M N 2.863 122.637 119.600 0.290 0.000 2.326 618 M HA 0.625 5.106 4.480 0.001 0.000 0.306 618 M C -1.051 175.383 176.300 0.224 0.000 1.054 618 M CA -0.466 54.969 55.300 0.226 0.000 0.922 618 M CB 1.703 34.433 32.600 0.216 0.000 1.632 618 M HN 0.550 nan 8.290 nan 0.000 0.436 619 S N 3.885 119.695 115.700 0.183 0.000 2.605 619 S HA 0.768 5.238 4.470 0.001 0.000 0.308 619 S C -1.541 173.178 174.600 0.199 0.000 1.113 619 S CA -0.559 57.765 58.200 0.206 0.000 1.049 619 S CB 1.308 64.676 63.200 0.279 0.000 1.001 619 S HN 0.593 nan 8.310 nan 0.000 0.480 620 V N 5.753 125.764 119.914 0.162 0.000 2.487 620 V HA 0.597 4.718 4.120 0.001 0.000 0.298 620 V C -0.619 175.437 176.094 -0.064 0.000 1.028 620 V CA -0.756 61.569 62.300 0.041 0.000 0.860 620 V CB 1.442 33.235 31.823 -0.050 0.000 0.991 620 V HN 0.932 nan 8.190 nan 0.000 0.427 621 W N 6.584 127.587 121.300 -0.495 0.000 2.689 621 W HA 0.836 5.497 4.660 0.001 0.000 0.340 621 W C -1.034 175.072 176.519 -0.688 0.000 1.060 621 W CA -0.826 55.904 57.345 -1.026 0.000 1.218 621 W CB 1.843 30.258 29.460 -1.742 0.000 1.410 621 W HN 0.444 nan 8.180 nan 0.000 0.528 622 M N 5.154 123.529 119.600 -2.041 0.000 2.378 622 M HA 0.580 5.061 4.480 0.001 0.000 0.289 622 M C -0.183 174.901 176.300 -2.027 0.000 1.136 622 M CA -0.575 53.629 55.300 -1.827 0.000 0.917 622 M CB 2.428 34.511 32.600 -0.861 0.000 1.669 622 M HN 0.709 nan 8.290 nan 0.000 0.461 623 G N 1.424 109.271 108.800 -1.588 0.000 2.721 623 G HA2 0.821 4.782 3.960 0.001 0.000 0.296 623 G HA3 0.821 4.782 3.960 0.001 0.000 0.296 623 G C -2.187 172.420 174.900 -0.489 0.000 1.383 623 G CA -0.534 44.221 45.100 -0.575 0.000 0.788 623 G HN 0.493 nan 8.290 nan 0.000 0.500 624 F N 0.321 120.303 119.950 0.053 0.000 2.508 624 F HA 0.391 4.919 4.527 0.001 0.000 0.325 624 F C 1.754 177.610 175.800 0.094 0.000 1.090 624 F CA -0.143 57.869 58.000 0.020 0.000 0.945 624 F CB 2.612 41.573 39.000 -0.066 0.000 1.156 624 F HN 0.503 nan 8.300 nan 0.000 0.463 625 S N 0.294 116.152 115.700 0.264 0.000 2.419 625 S HA -0.040 4.431 4.470 0.001 0.000 0.233 625 S C 0.502 175.192 174.600 0.149 0.000 1.016 625 S CA 0.949 59.263 58.200 0.190 0.000 0.974 625 S CB -0.062 63.224 63.200 0.143 0.000 0.786 625 S HN 0.419 nan 8.310 nan 0.000 0.492 626 K N 1.151 121.630 120.400 0.131 0.000 2.535 626 K HA 0.392 4.713 4.320 0.001 0.000 0.251 626 K C -1.510 175.079 176.600 -0.018 0.000 0.942 626 K CA -1.042 55.276 56.287 0.052 0.000 0.798 626 K CB 1.995 34.512 32.500 0.029 0.000 1.267 626 K HN 0.045 nan 8.250 nan 0.000 0.434 627 V N 5.040 124.888 119.914 -0.111 0.000 2.450 627 V HA 0.252 4.373 4.120 0.001 0.000 0.281 627 V C -0.162 175.652 176.094 -0.467 0.000 1.019 627 V CA 0.545 62.645 62.300 -0.333 0.000 1.062 627 V CB -0.105 31.390 31.823 -0.547 0.000 0.979 627 V HN 0.678 nan 8.190 nan 0.000 0.477 628 K N 4.024 124.226 120.400 -0.330 0.000 2.267 628 K HA 0.463 4.784 4.320 0.001 0.000 0.236 628 K C -0.547 175.975 176.600 -0.130 0.000 1.030 628 K CA -0.884 55.299 56.287 -0.173 0.000 0.930 628 K CB 1.131 33.551 32.500 -0.134 0.000 1.182 628 K HN 0.749 nan 8.250 nan 0.000 0.474 629 Q N 0.175 119.939 119.800 -0.060 0.000 2.293 629 Q HA 0.078 4.419 4.340 0.001 0.000 0.251 629 Q C -1.014 174.839 176.000 -0.245 0.000 0.930 629 Q CA 0.695 56.340 55.803 -0.264 0.000 0.893 629 Q CB 0.217 28.629 28.738 -0.544 0.000 1.215 629 Q HN 0.599 nan 8.270 nan 0.000 0.425 630 Y N 1.276 121.585 120.300 0.014 0.000 4.907 630 Y HA -0.326 4.225 4.550 0.001 0.000 0.246 630 Y C 1.029 176.914 175.900 -0.026 0.000 0.968 630 Y CA 0.569 58.667 58.100 -0.002 0.000 1.961 630 Y CB -1.752 36.706 38.460 -0.002 0.000 1.487 630 Y HN 0.928 nan 8.280 nan 0.000 0.575 631 G N 0.041 108.843 108.800 0.004 0.000 2.141 631 G HA2 -0.339 3.622 3.960 0.001 0.000 0.231 631 G HA3 -0.339 3.622 3.960 0.001 0.000 0.231 631 G C 0.537 175.367 174.900 -0.117 0.000 0.984 631 G CA 0.563 45.634 45.100 -0.049 0.000 0.660 631 G HN 0.607 nan 8.290 nan 0.000 0.525 632 E N -0.106 120.024 120.200 -0.117 0.000 2.153 632 E HA -0.107 4.244 4.350 0.001 0.000 0.194 632 E C 1.017 177.361 176.600 -0.426 0.000 0.988 632 E CA 1.176 57.472 56.400 -0.173 0.000 0.811 632 E CB -0.054 29.593 29.700 -0.089 0.000 0.746 632 E HN 0.374 nan 8.360 nan 0.000 0.466 633 N N 0.343 118.720 118.700 -0.539 0.000 2.610 633 N HA 0.200 4.941 4.740 0.001 0.000 0.309 633 N C -1.716 173.213 175.510 -0.968 0.000 1.536 633 N CA -0.069 52.345 53.050 -1.060 0.000 0.954 633 N CB 1.418 39.566 38.487 -0.565 0.000 1.310 633 N HN -0.097 nan 8.380 nan 0.000 0.502 634 S N -0.521 114.755 115.700 -0.706 0.000 2.661 634 S HA 0.541 5.011 4.470 0.001 0.000 0.285 634 S C -0.904 173.646 174.600 -0.083 0.000 1.138 634 S CA -0.613 57.532 58.200 -0.092 0.000 0.855 634 S CB 1.233 64.520 63.200 0.146 0.000 1.136 634 S HN 0.081 nan 8.310 nan 0.000 0.484 635 F N 1.486 121.638 119.950 0.337 0.000 2.404 635 F HA 0.483 5.011 4.527 0.001 0.000 0.358 635 F C -0.078 175.804 175.800 0.138 0.000 1.120 635 F CA -0.751 57.361 58.000 0.187 0.000 1.144 635 F CB 0.734 39.765 39.000 0.052 0.000 1.133 635 F HN 0.086 nan 8.300 nan 0.000 0.495 636 V N 3.328 123.378 119.914 0.226 0.000 2.334 636 V HA 0.807 4.928 4.120 0.001 0.000 0.281 636 V C 0.342 176.539 176.094 0.171 0.000 1.016 636 V CA -0.762 61.658 62.300 0.200 0.000 0.832 636 V CB 0.542 32.454 31.823 0.147 0.000 0.999 636 V HN 1.099 nan 8.190 nan 0.000 0.439 637 G N 3.073 112.004 108.800 0.218 0.000 2.733 637 G HA2 -0.229 3.732 3.960 0.001 0.000 0.686 637 G HA3 -0.229 3.732 3.960 0.001 0.000 0.686 637 G C 0.250 175.247 174.900 0.161 0.000 1.373 637 G CA 0.480 45.710 45.100 0.216 0.000 0.838 637 G HN 1.217 nan 8.290 nan 0.000 0.588 638 H N 1.023 120.159 119.070 0.109 0.000 2.325 638 H HA -0.182 4.374 4.556 0.001 0.000 0.293 638 H C 2.951 178.275 175.328 -0.007 0.000 1.106 638 H CA 3.682 59.753 56.048 0.038 0.000 1.247 638 H CB -0.161 29.643 29.762 0.069 0.000 1.359 638 H HN 1.180 nan 8.280 nan 0.000 0.488 639 S N -0.598 115.131 115.700 0.048 0.000 2.378 639 S HA -0.348 4.122 4.470 0.001 0.000 0.229 639 S C 2.123 176.602 174.600 -0.202 0.000 1.052 639 S CA 2.278 60.479 58.200 0.003 0.000 1.084 639 S CB -0.325 62.939 63.200 0.106 0.000 0.950 639 S HN 0.766 nan 8.310 nan 0.000 0.440 640 Q N -0.403 119.241 119.800 -0.260 0.000 2.250 640 Q HA 0.104 4.445 4.340 0.001 0.000 0.200 640 Q C 2.349 177.958 176.000 -0.651 0.000 0.941 640 Q CA 0.855 56.282 55.803 -0.627 0.000 0.872 640 Q CB -0.033 28.610 28.738 -0.157 0.000 0.965 640 Q HN 0.713 nan 8.270 nan 0.000 0.480 641 Q N 0.413 120.016 119.800 -0.328 0.000 2.488 641 Q HA -0.102 4.239 4.340 0.001 0.000 0.211 641 Q C 1.158 176.847 176.000 -0.518 0.000 0.967 641 Q CA 0.509 56.073 55.803 -0.399 0.000 0.926 641 Q CB 0.177 28.756 28.738 -0.265 0.000 0.992 641 Q HN 0.309 nan 8.270 nan 0.000 0.506 642 E N -0.195 119.666 120.200 -0.566 0.000 2.481 642 E HA -0.083 4.268 4.350 0.001 0.000 0.195 642 E C 0.786 177.100 176.600 -0.478 0.000 1.047 642 E CA 0.002 56.049 56.400 -0.587 0.000 0.867 642 E CB 0.170 29.494 29.700 -0.626 0.000 0.858 642 E HN 0.527 nan 8.360 nan 0.000 0.513 643 Y N 0.723 120.867 120.300 -0.260 0.000 2.081 643 Y HA -0.184 4.367 4.550 0.001 0.000 0.280 643 Y C -0.435 175.221 175.900 -0.407 0.000 1.163 643 Y CA 0.780 58.809 58.100 -0.120 0.000 1.135 643 Y CB -1.084 37.381 38.460 0.009 0.000 0.970 643 Y HN 0.246 nan 8.280 nan 0.000 0.498 644 P HA -0.182 nan 4.420 nan 0.000 0.221 644 P C 0.565 177.601 177.300 -0.441 0.000 1.145 644 P CA 1.597 64.435 63.100 -0.437 0.000 0.795 644 P CB -0.131 31.318 31.700 -0.418 0.000 0.775 645 Q N -1.543 117.930 119.800 -0.546 0.000 2.291 645 Q HA -0.064 4.277 4.340 0.001 0.000 0.205 645 Q C 1.948 177.545 176.000 -0.671 0.000 0.970 645 Q CA 0.988 56.413 55.803 -0.629 0.000 0.876 645 Q CB -0.539 27.646 28.738 -0.922 0.000 0.935 645 Q HN 0.324 nan 8.270 nan 0.000 0.455 646 F N 0.102 119.743 119.950 -0.516 0.000 2.206 646 F HA -0.172 4.356 4.527 0.001 0.000 0.298 646 F C 2.046 177.591 175.800 -0.424 0.000 1.090 646 F CA 0.325 58.120 58.000 -0.341 0.000 1.323 646 F CB -0.053 38.853 39.000 -0.156 0.000 1.028 646 F HN 0.104 nan 8.300 nan 0.000 0.492 647 L N -0.453 120.365 121.223 -0.675 0.000 2.027 647 L HA -0.229 4.112 4.340 0.001 0.000 0.206 647 L C 2.262 179.026 176.870 -0.177 0.000 1.074 647 L CA 1.763 56.256 54.840 -0.578 0.000 0.745 647 L CB -1.232 40.398 42.059 -0.716 0.000 0.898 647 L HN 0.229 nan 8.230 nan 0.000 0.433 648 Y N 0.683 120.830 120.300 -0.255 0.000 2.081 648 Y HA -0.331 4.220 4.550 0.001 0.000 0.280 648 Y C 2.686 178.534 175.900 -0.086 0.000 1.163 648 Y CA 2.496 60.512 58.100 -0.140 0.000 1.135 648 Y CB -0.399 37.983 38.460 -0.129 0.000 0.970 648 Y HN 0.484 nan 8.280 nan 0.000 0.498 649 E N -0.180 120.020 120.200 0.000 0.000 2.038 649 E HA -0.276 4.075 4.350 0.001 0.000 0.195 649 E C 1.922 178.467 176.600 -0.091 0.000 1.000 649 E CA 1.547 57.921 56.400 -0.043 0.000 0.803 649 E CB -0.239 29.549 29.700 0.148 0.000 0.750 649 E HN 0.525 nan 8.360 nan 0.000 0.448 650 N N 0.318 119.013 118.700 -0.009 0.000 2.018 650 N HA -0.177 4.564 4.740 0.001 0.000 0.196 650 N C 1.967 177.442 175.510 -0.058 0.000 1.043 650 N CA 1.640 54.695 53.050 0.009 0.000 0.856 650 N CB -0.669 37.874 38.487 0.094 0.000 1.042 650 N HN 0.078 nan 8.380 nan 0.000 0.423 651 V N 1.431 121.287 119.914 -0.098 0.000 2.270 651 V HA -0.160 3.961 4.120 0.001 0.000 0.245 651 V C 2.394 178.376 176.094 -0.187 0.000 1.043 651 V CA 1.227 63.451 62.300 -0.126 0.000 1.014 651 V CB -0.411 31.338 31.823 -0.124 0.000 0.645 651 V HN 0.243 nan 8.190 nan 0.000 0.447 652 M N 0.059 119.466 119.600 -0.322 0.000 2.195 652 M HA -0.159 4.322 4.480 0.001 0.000 0.260 652 M C 2.466 178.647 176.300 -0.197 0.000 1.066 652 M CA 2.041 57.137 55.300 -0.340 0.000 1.089 652 M CB -1.570 30.606 32.600 -0.707 0.000 1.377 652 M HN 0.511 nan 8.290 nan 0.000 0.411 653 S N 0.204 115.800 115.700 -0.174 0.000 2.371 653 S HA -0.102 4.369 4.470 0.001 0.000 0.224 653 S C 1.908 176.469 174.600 -0.066 0.000 1.029 653 S CA 1.062 59.199 58.200 -0.106 0.000 0.978 653 S CB 0.097 63.247 63.200 -0.082 0.000 0.833 653 S HN 0.471 nan 8.310 nan 0.000 0.466 654 K N 0.820 121.183 120.400 -0.062 0.000 2.057 654 K HA 0.016 4.337 4.320 0.001 0.000 0.206 654 K C 2.138 178.723 176.600 -0.024 0.000 1.050 654 K CA 1.708 57.971 56.287 -0.040 0.000 0.935 654 K CB -0.332 32.144 32.500 -0.039 0.000 0.715 654 K HN 0.710 nan 8.250 nan 0.000 0.439 655 I N -2.814 117.739 120.570 -0.028 0.000 3.462 655 I HA 0.095 4.265 4.170 0.001 0.000 0.290 655 I C 0.566 176.777 176.117 0.158 0.000 1.236 655 I CA -0.119 61.196 61.300 0.026 0.000 1.418 655 I CB 0.406 38.355 38.000 -0.084 0.000 1.102 655 I HN -0.239 nan 8.210 nan 0.000 0.441 656 S N 2.238 118.001 115.700 0.105 0.000 2.549 656 S HA 0.241 4.712 4.470 0.001 0.000 0.279 656 S C 0.434 175.054 174.600 0.033 0.000 1.321 656 S CA -0.265 57.999 58.200 0.106 0.000 1.054 656 S CB 0.492 63.713 63.200 0.034 0.000 0.899 656 S HN 0.620 nan 8.310 nan 0.000 0.497 657 S N 3.782 119.484 115.700 0.004 0.000 2.537 657 S HA 0.441 4.911 4.470 0.001 0.000 0.275 657 S C -0.247 174.332 174.600 -0.036 0.000 1.272 657 S CA -0.867 57.322 58.200 -0.018 0.000 1.050 657 S CB 0.720 63.901 63.200 -0.031 0.000 0.961 657 S HN 0.532 nan 8.310 nan 0.000 0.496 658 R N 1.884 122.365 120.500 -0.032 0.000 4.071 658 R HA 0.245 4.586 4.340 0.001 0.000 0.220 658 R C -0.049 176.230 176.300 -0.035 0.000 1.614 658 R CA -0.102 55.975 56.100 -0.037 0.000 1.505 658 R CB -0.395 29.886 30.300 -0.033 0.000 1.384 658 R HN 0.874 nan 8.270 nan 0.000 0.758 659 D N -1.164 119.211 120.400 -0.042 0.000 2.398 659 D HA 0.122 4.763 4.640 0.001 0.000 0.210 659 D C 1.072 177.348 176.300 -0.040 0.000 1.094 659 D CA 0.247 54.225 54.000 -0.037 0.000 0.839 659 D CB 0.465 41.242 40.800 -0.037 0.000 0.963 659 D HN 0.231 nan 8.370 nan 0.000 0.506 660 G N 0.652 109.421 108.800 -0.051 0.000 2.143 660 G HA2 -0.363 3.598 3.960 0.001 0.000 0.248 660 G HA3 -0.363 3.598 3.960 0.001 0.000 0.248 660 G C 0.010 174.870 174.900 -0.066 0.000 0.991 660 G CA 0.256 45.324 45.100 -0.054 0.000 0.689 660 G HN 0.627 nan 8.290 nan 0.000 0.522 661 E N 0.235 120.387 120.200 -0.079 0.000 2.415 661 E HA 0.369 4.719 4.350 0.001 0.000 0.262 661 E C -0.263 176.243 176.600 -0.156 0.000 1.038 661 E CA -0.012 56.334 56.400 -0.091 0.000 0.921 661 E CB 0.458 30.106 29.700 -0.087 0.000 0.950 661 E HN 0.201 nan 8.360 nan 0.000 0.438 662 D N 1.706 122.020 120.400 -0.143 0.000 2.531 662 D HA 0.241 4.882 4.640 0.001 0.000 0.244 662 D C -1.090 175.114 176.300 -0.160 0.000 1.090 662 D CA -0.685 53.168 54.000 -0.246 0.000 0.989 662 D CB 0.700 41.450 40.800 -0.082 0.000 1.433 662 D HN 0.243 nan 8.370 nan 0.000 0.492 663 F N 1.288 121.344 119.950 0.176 0.000 2.538 663 F HA 0.153 4.681 4.527 0.001 0.000 0.371 663 F C 1.233 177.180 175.800 0.246 0.000 1.087 663 F CA -0.347 57.783 58.000 0.217 0.000 1.250 663 F CB 0.135 39.292 39.000 0.261 0.000 1.110 663 F HN -0.060 nan 8.300 nan 0.000 0.570 664 K N 3.337 123.940 120.400 0.338 0.000 2.368 664 K HA 0.267 4.587 4.320 0.001 0.000 0.282 664 K C -0.124 176.537 176.600 0.103 0.000 1.035 664 K CA -0.661 55.736 56.287 0.184 0.000 0.973 664 K CB 1.111 33.675 32.500 0.107 0.000 0.957 664 K HN 0.655 nan 8.250 nan 0.000 0.474 665 R N 4.226 124.662 120.500 -0.105 0.000 2.216 665 R HA 0.181 4.522 4.340 0.001 0.000 0.332 665 R C -1.968 174.133 176.300 -0.332 0.000 1.056 665 R CA -1.533 54.211 56.100 -0.593 0.000 0.901 665 R CB 0.599 30.581 30.300 -0.531 0.000 1.039 665 R HN 0.606 nan 8.270 nan 0.000 0.456 666 P HA 0.037 nan 4.420 nan 0.000 0.272 666 P C -0.302 176.941 177.300 -0.095 0.000 1.240 666 P CA -0.284 62.754 63.100 -0.103 0.000 0.791 666 P CB 1.014 32.713 31.700 -0.002 0.000 0.978 667 S N -1.415 114.265 115.700 -0.034 0.000 2.701 667 S HA -0.015 4.456 4.470 0.001 0.000 0.220 667 S C 1.226 175.821 174.600 -0.009 0.000 0.954 667 S CA 0.271 58.456 58.200 -0.025 0.000 0.936 667 S CB -0.925 62.268 63.200 -0.011 0.000 0.777 667 S HN 0.566 nan 8.310 nan 0.000 0.518 668 S N 0.512 116.219 115.700 0.012 0.000 2.540 668 S HA 0.303 4.773 4.470 0.001 0.000 0.218 668 S C 0.447 175.050 174.600 0.005 0.000 0.977 668 S CA -0.133 58.080 58.200 0.021 0.000 0.918 668 S CB -0.340 62.923 63.200 0.104 0.000 0.806 668 S HN 0.505 nan 8.310 nan 0.000 0.496 669 V N -1.002 118.927 119.914 0.025 0.000 2.581 669 V HA 0.842 4.962 4.120 0.001 0.000 0.303 669 V C -0.338 175.777 176.094 0.035 0.000 1.041 669 V CA -0.660 61.677 62.300 0.061 0.000 0.907 669 V CB 1.563 33.479 31.823 0.155 0.000 0.994 669 V HN 0.139 nan 8.190 nan 0.000 0.442 670 S N 2.191 117.920 115.700 0.049 0.000 2.561 670 S HA 0.916 5.387 4.470 0.001 0.000 0.303 670 S C 0.082 174.715 174.600 0.054 0.000 1.110 670 S CA 0.557 58.778 58.200 0.035 0.000 1.034 670 S CB 0.831 64.038 63.200 0.013 0.000 1.010 670 S HN 2.400 nan 8.310 nan 0.000 0.482 671 G N 2.371 111.203 108.800 0.052 0.000 2.483 671 G HA2 0.118 4.079 3.960 0.001 0.000 0.521 671 G HA3 0.118 4.079 3.960 0.001 0.000 0.521 671 G C -0.810 174.131 174.900 0.069 0.000 1.278 671 G CA -0.334 44.794 45.100 0.047 0.000 0.965 671 G HN 0.931 nan 8.290 nan 0.000 0.504 672 S N -0.954 114.769 115.700 0.039 0.000 2.546 672 S HA 0.632 5.103 4.470 0.001 0.000 0.274 672 S C 0.264 174.847 174.600 -0.028 0.000 1.121 672 S CA -0.732 57.489 58.200 0.035 0.000 0.887 672 S CB 1.056 64.273 63.200 0.029 0.000 1.094 672 S HN 0.788 nan 8.310 nan 0.000 0.474 673 I N 4.619 125.152 120.570 -0.063 0.000 2.775 673 I HA 0.102 4.273 4.170 0.001 0.000 0.290 673 I C -1.088 174.885 176.117 -0.241 0.000 1.203 673 I CA -1.089 60.088 61.300 -0.203 0.000 1.433 673 I CB 0.503 38.363 38.000 -0.233 0.000 1.354 673 I HN 0.557 nan 8.210 nan 0.000 0.579 674 P HA 0.116 nan 4.420 nan 0.000 0.253 674 P C -0.115 177.037 177.300 -0.246 0.000 1.459 674 P CA 0.068 62.837 63.100 -0.552 0.000 0.908 674 P CB 0.338 31.661 31.700 -0.628 0.000 1.470 675 S N 0.539 116.156 115.700 -0.138 0.000 2.256 675 S HA 0.358 4.829 4.470 0.001 0.000 0.210 675 S C 0.333 174.925 174.600 -0.013 0.000 1.329 675 S CA -0.438 57.726 58.200 -0.059 0.000 1.267 675 S CB -0.150 63.022 63.200 -0.048 0.000 1.086 675 S HN 0.125 nan 8.310 nan 0.000 0.468 676 I N 3.340 123.915 120.570 0.008 0.000 2.385 676 I HA 0.391 4.562 4.170 0.001 0.000 0.294 676 I C -0.014 176.154 176.117 0.085 0.000 0.988 676 I CA -0.628 60.712 61.300 0.066 0.000 1.265 676 I CB 1.325 39.390 38.000 0.108 0.000 1.388 676 I HN 0.401 nan 8.210 nan 0.000 0.480 677 N N 4.234 122.983 118.700 0.082 0.000 2.577 677 N HA 0.575 5.316 4.740 0.001 0.000 0.285 677 N C -1.220 174.320 175.510 0.051 0.000 1.309 677 N CA -0.901 52.194 53.050 0.074 0.000 0.798 677 N CB 1.246 39.760 38.487 0.045 0.000 1.463 677 N HN 0.159 nan 8.380 nan 0.000 0.518 678 V N 0.487 120.402 119.914 0.001 0.000 2.461 678 V HA 0.304 4.425 4.120 0.001 0.000 0.275 678 V C 0.281 176.314 176.094 -0.101 0.000 1.047 678 V CA -0.859 61.364 62.300 -0.128 0.000 0.955 678 V CB 0.617 32.247 31.823 -0.321 0.000 0.988 678 V HN 0.733 nan 8.190 nan 0.000 0.471 679 S N 3.662 119.305 115.700 -0.094 0.000 2.558 679 S HA 0.318 4.789 4.470 0.001 0.000 0.293 679 S C 1.352 175.914 174.600 -0.063 0.000 1.292 679 S CA 0.671 58.836 58.200 -0.058 0.000 1.063 679 S CB 0.335 63.508 63.200 -0.044 0.000 0.831 679 S HN 1.791 nan 8.310 nan 0.000 0.499 680 G N 2.087 110.865 108.800 -0.037 0.000 2.249 680 G HA2 -0.237 3.724 3.960 0.001 0.000 0.273 680 G HA3 -0.237 3.724 3.960 0.001 0.000 0.273 680 G C 0.187 175.068 174.900 -0.032 0.000 1.036 680 G CA 0.381 45.463 45.100 -0.030 0.000 0.824 680 G HN 0.908 nan 8.290 nan 0.000 0.504 681 S N -0.693 114.989 115.700 -0.030 0.000 2.640 681 S HA 0.270 4.741 4.470 0.001 0.000 0.163 681 S C 0.437 175.041 174.600 0.007 0.000 0.936 681 S CA -0.151 58.040 58.200 -0.016 0.000 1.081 681 S CB -0.043 63.134 63.200 -0.038 0.000 1.720 681 S HN 0.607 nan 8.310 nan 0.000 0.488 682 Q N 0.927 120.731 119.800 0.008 0.000 2.535 682 Q HA 0.188 4.529 4.340 0.001 0.000 0.228 682 Q C -0.459 175.559 176.000 0.029 0.000 1.062 682 Q CA -0.055 55.758 55.803 0.016 0.000 0.967 682 Q CB 0.428 29.168 28.738 0.002 0.000 1.273 682 Q HN 0.332 nan 8.270 nan 0.000 0.554 683 D N 0.500 120.912 120.400 0.021 0.000 2.317 683 D HA 0.028 4.669 4.640 0.001 0.000 0.234 683 D C 0.637 176.906 176.300 -0.053 0.000 1.112 683 D CA -0.169 53.836 54.000 0.009 0.000 0.840 683 D CB 0.826 41.628 40.800 0.004 0.000 1.078 683 D HN 0.440 nan 8.370 nan 0.000 0.486 684 N N 3.392 122.065 118.700 -0.045 0.000 2.069 684 N HA -0.223 4.518 4.740 0.001 0.000 0.196 684 N C 0.009 175.431 175.510 -0.146 0.000 1.024 684 N CA 1.202 54.209 53.050 -0.071 0.000 0.869 684 N CB 0.022 38.485 38.487 -0.041 0.000 1.035 684 N HN 0.310 nan 8.380 nan 0.000 0.434 685 N N -0.228 118.310 118.700 -0.270 0.000 2.518 685 N HA 0.255 4.996 4.740 0.001 0.000 0.254 685 N C -1.551 173.625 175.510 -0.557 0.000 0.979 685 N CA -0.207 52.587 53.050 -0.427 0.000 0.930 685 N CB 0.847 38.985 38.487 -0.581 0.000 1.152 685 N HN 0.242 nan 8.380 nan 0.000 0.505 686 T N -0.880 113.478 114.554 -0.326 0.000 2.812 686 T HA 0.800 5.151 4.350 0.001 0.000 0.294 686 T C -0.585 174.020 174.700 -0.159 0.000 1.159 686 T CA -0.803 61.151 62.100 -0.243 0.000 1.008 686 T CB 1.479 70.258 68.868 -0.148 0.000 1.289 686 T HN 0.322 nan 8.240 nan 0.000 0.514 687 T N -1.017 113.473 114.554 -0.105 0.000 2.889 687 T HA 0.540 4.891 4.350 0.001 0.000 0.315 687 T C -0.511 174.162 174.700 -0.045 0.000 1.291 687 T CA -0.939 61.120 62.100 -0.068 0.000 1.028 687 T CB 1.545 70.381 68.868 -0.054 0.000 1.235 687 T HN 0.468 nan 8.240 nan 0.000 0.491 688 N N -0.296 118.382 118.700 -0.037 0.000 2.214 688 N HA 0.184 4.925 4.740 0.001 0.000 0.214 688 N C 0.228 175.726 175.510 -0.020 0.000 1.132 688 N CA -0.380 52.653 53.050 -0.029 0.000 0.856 688 N CB 0.368 38.837 38.487 -0.029 0.000 1.020 688 N HN 0.445 nan 8.380 nan 0.000 0.509 689 R N 0.788 121.277 120.500 -0.019 0.000 2.449 689 R HA 0.203 4.544 4.340 0.001 0.000 0.296 689 R C -0.349 175.945 176.300 -0.008 0.000 1.047 689 R CA 0.310 56.401 56.100 -0.014 0.000 1.018 689 R CB 0.299 30.592 30.300 -0.012 0.000 0.962 689 R HN 0.032 nan 8.270 nan 0.000 0.428 690 S N 1.694 117.383 115.700 -0.020 0.000 2.707 690 S HA 0.209 4.680 4.470 0.001 0.000 0.276 690 S C 0.871 175.425 174.600 -0.077 0.000 1.179 690 S CA -0.868 57.308 58.200 -0.040 0.000 0.992 690 S CB 1.795 64.963 63.200 -0.053 0.000 1.030 690 S HN 0.698 nan 8.310 nan 0.000 0.554 691 T N 1.633 116.080 114.554 -0.178 0.000 2.925 691 T HA 0.100 4.450 4.350 0.001 0.000 0.232 691 T C 0.248 174.778 174.700 -0.283 0.000 1.055 691 T CA 0.818 62.741 62.100 -0.294 0.000 1.419 691 T CB -0.496 68.017 68.868 -0.591 0.000 1.094 691 T HN 0.599 nan 8.240 nan 0.000 0.423 692 H N 0.000 118.800 119.070 -0.450 0.000 2.539 692 H HA 0.000 4.557 4.556 0.001 0.000 0.296 692 H CA 0.000 55.685 56.048 -0.606 0.000 1.023 692 H CB 0.000 29.317 29.762 -0.742 0.000 1.292 692 H HN 0.000 nan 8.280 nan 0.000 0.496