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 1jsc_1_B DATA FIRST_RESID 82 DATA SEQUENCE EPDMDTSFVG LTGGQIFNEM MSRQNVDTVF GYPGGAILPV YDAIHNSDKF DATA SEQUENCE NFVLPKHEQG AGHMAEGYAR ASGKPGVVLV TSGPGATNVV TPMADAFADG DATA SEQUENCE IPMVVFTGQV PTSAIGTDAF QEADVVGISR SCTKWNVMVK SVEELPLRIN DATA SEQUENCE EAFEIATSGR PGPVLVDLPK DVTAAILRNP IPTKTTLPSN AXXXLTSRAQ DATA SEQUENCE DEFVMQSINK AADLINLAKX PVLYVGAGIL NHADGPRLLK ELSDRAQIPV DATA SEQUENCE TTTLQGLGSF DQEDPKSLDM LGMHGCATAN LAVQNADLII AVGARFDDRV DATA SEQUENCE TGNISKFAPE ARRAAXXXXX XIIHFEVSPK NINKVVQTQI AVEGDATTNL DATA SEQUENCE GKMMSKIFPV XXRSEWFAQI NKWKKEYXXX XXEETPGSKI KPQTVIKKLS DATA SEQUENCE KVANDTGRHV IVTTGVGQHQ MWAAQHWTWR NPHTFITSGG LGTMGYGLPA DATA SEQUENCE AIGAQVAKPE SLVIDIDGDA SFNMTLTELS SAVQAGTPVK ILILNNEEQG DATA SEQUENCE MVTQWQSLFX EHRYSHTHQL NPDFIKLAEA MGLKGLRVKK QEELDAKLKE DATA SEQUENCE FVSTKGPVLL EVEVDKKV 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 82 E HA 0.000 nan 4.350 nan 0.000 0.291 82 E C 0.000 176.584 176.600 -0.027 0.000 1.382 82 E CA 0.000 56.386 56.400 -0.022 0.000 0.976 82 E CB 0.000 nan 29.700 nan 0.000 0.812 83 P HA -0.060 nan 4.420 nan 0.000 0.231 83 P C 0.612 177.899 177.300 -0.022 0.000 1.158 83 P CA 0.960 64.045 63.100 -0.025 0.000 0.763 83 P CB 0.459 32.148 31.700 -0.019 0.000 0.805 84 D N -1.011 119.378 120.400 -0.019 0.000 2.092 84 D HA -0.027 4.613 4.640 -0.000 0.000 0.203 84 D C 0.937 177.227 176.300 -0.017 0.000 0.978 84 D CA 1.123 55.114 54.000 -0.014 0.000 0.861 84 D CB -0.195 40.599 40.800 -0.010 0.000 1.005 84 D HN 0.085 nan 8.370 nan 0.000 0.450 85 M N 0.761 120.349 119.600 -0.021 0.000 2.478 85 M HA 0.247 4.727 4.480 -0.000 0.000 0.327 85 M C -0.350 175.922 176.300 -0.047 0.000 1.187 85 M CA -0.536 54.749 55.300 -0.025 0.000 1.022 85 M CB 1.722 34.313 32.600 -0.015 0.000 1.629 85 M HN -0.116 nan 8.290 nan 0.000 0.461 86 D N 0.364 120.724 120.400 -0.066 0.000 2.278 86 D HA 0.309 4.949 4.640 -0.000 0.000 0.245 86 D C -0.212 176.020 176.300 -0.113 0.000 1.052 86 D CA 0.101 54.027 54.000 -0.124 0.000 0.834 86 D CB 1.894 42.574 40.800 -0.201 0.000 1.194 86 D HN 0.682 nan 8.370 nan 0.000 0.481 87 T N 0.641 115.127 114.554 -0.114 0.000 3.043 87 T HA 0.005 4.355 4.350 -0.000 0.000 0.272 87 T C 1.611 176.271 174.700 -0.067 0.000 0.990 87 T CA 0.730 62.792 62.100 -0.063 0.000 0.897 87 T CB -0.015 68.834 68.868 -0.032 0.000 1.111 87 T HN 0.389 nan 8.240 nan 0.000 0.529 88 S N 0.027 115.626 115.700 -0.168 0.000 2.442 88 S HA 0.025 4.495 4.470 -0.000 0.000 0.236 88 S C 1.390 176.023 174.600 0.054 0.000 1.007 88 S CA 0.708 58.827 58.200 -0.135 0.000 0.965 88 S CB -0.816 62.223 63.200 -0.268 0.000 0.773 88 S HN 0.662 nan 8.310 nan 0.000 0.504 89 F N 1.224 121.180 119.950 0.010 0.000 2.749 89 F HA 0.321 4.848 4.527 -0.000 0.000 0.300 89 F C 0.420 176.229 175.800 0.014 0.000 1.103 89 F CA -0.763 57.245 58.000 0.013 0.000 1.342 89 F CB 0.433 39.443 39.000 0.017 0.000 1.098 89 F HN -0.016 nan 8.300 nan 0.000 0.586 90 V N 1.370 121.388 119.914 0.172 0.000 2.540 90 V HA 0.201 4.321 4.120 -0.000 0.000 0.297 90 V C 1.093 177.239 176.094 0.088 0.000 1.024 90 V CA 1.332 63.696 62.300 0.107 0.000 1.105 90 V CB 0.129 31.989 31.823 0.062 0.000 0.938 90 V HN 0.652 nan 8.190 nan 0.000 0.482 91 G N 3.768 112.610 108.800 0.071 0.000 2.232 91 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.226 91 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.226 91 G C 0.058 174.986 174.900 0.046 0.000 0.996 91 G CA -0.036 45.095 45.100 0.051 0.000 0.626 91 G HN 0.531 nan 8.290 nan 0.000 0.509 92 L N 1.747 123.005 121.223 0.059 0.000 2.454 92 L HA 0.619 4.959 4.340 -0.000 0.000 0.256 92 L C 1.432 178.305 176.870 0.005 0.000 1.136 92 L CA -0.088 54.769 54.840 0.028 0.000 0.804 92 L CB 1.005 43.075 42.059 0.017 0.000 1.181 92 L HN 0.390 nan 8.230 nan 0.000 0.469 93 T N -2.562 111.982 114.554 -0.016 0.000 2.927 93 T HA 0.289 4.639 4.350 -0.000 0.000 0.281 93 T C 1.172 175.847 174.700 -0.042 0.000 0.998 93 T CA -0.223 61.864 62.100 -0.021 0.000 1.019 93 T CB 1.550 70.405 68.868 -0.022 0.000 1.061 93 T HN 0.691 nan 8.240 nan 0.000 0.518 94 G N 0.431 109.211 108.800 -0.033 0.000 2.469 94 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 94 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 94 G C 1.551 176.430 174.900 -0.036 0.000 1.150 94 G CA 0.730 45.810 45.100 -0.034 0.000 0.763 94 G HN 1.039 nan 8.290 nan 0.000 0.561 95 G N 0.175 108.944 108.800 -0.052 0.000 2.440 95 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 95 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 95 G C 1.828 176.714 174.900 -0.024 0.000 1.154 95 G CA 1.160 46.222 45.100 -0.063 0.000 0.767 95 G HN 0.538 nan 8.290 nan 0.000 0.552 96 Q N -0.344 119.430 119.800 -0.043 0.000 2.172 96 Q HA 0.141 4.481 4.340 -0.000 0.000 0.200 96 Q C 2.570 178.500 176.000 -0.117 0.000 0.964 96 Q CA 0.570 56.346 55.803 -0.045 0.000 0.855 96 Q CB -0.099 28.618 28.738 -0.035 0.000 0.918 96 Q HN 0.510 nan 8.270 nan 0.000 0.444 97 I N 0.076 120.523 120.570 -0.205 0.000 2.179 97 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 97 I C 2.118 178.049 176.117 -0.311 0.000 1.088 97 I CA 1.121 62.138 61.300 -0.472 0.000 1.357 97 I CB -0.255 37.453 38.000 -0.485 0.000 1.051 97 I HN 0.178 nan 8.210 nan 0.000 0.409 98 F N 2.030 121.811 119.950 -0.281 0.000 2.091 98 F HA -0.325 4.202 4.527 -0.000 0.000 0.299 98 F C 2.457 178.107 175.800 -0.250 0.000 1.103 98 F CA 1.966 59.805 58.000 -0.268 0.000 1.228 98 F CB -0.464 38.361 39.000 -0.292 0.000 0.984 98 F HN 0.097 nan 8.300 nan 0.000 0.477 99 N N 0.582 119.293 118.700 0.019 0.000 2.069 99 N HA -0.272 4.468 4.740 -0.000 0.000 0.191 99 N C 1.932 177.464 175.510 0.037 0.000 1.031 99 N CA 1.857 54.906 53.050 -0.002 0.000 0.852 99 N CB -0.386 38.148 38.487 0.078 0.000 1.018 99 N HN 0.404 nan 8.380 nan 0.000 0.423 100 E N 0.332 120.507 120.200 -0.041 0.000 2.110 100 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 100 E C 1.994 178.571 176.600 -0.037 0.000 0.988 100 E CA 1.091 57.489 56.400 -0.004 0.000 0.804 100 E CB -0.206 29.480 29.700 -0.024 0.000 0.745 100 E HN 0.275 nan 8.360 nan 0.000 0.458 101 M N -0.326 119.167 119.600 -0.179 0.000 2.159 101 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 101 M C 1.964 178.102 176.300 -0.271 0.000 1.063 101 M CA 1.165 56.344 55.300 -0.200 0.000 1.110 101 M CB -0.816 31.621 32.600 -0.272 0.000 1.374 101 M HN 0.243 nan 8.290 nan 0.000 0.411 102 M N -0.378 119.023 119.600 -0.331 0.000 2.108 102 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 102 M C 2.310 178.617 176.300 0.011 0.000 1.066 102 M CA 1.420 56.592 55.300 -0.213 0.000 1.107 102 M CB -1.740 30.747 32.600 -0.188 0.000 1.356 102 M HN 0.202 nan 8.290 nan 0.000 0.406 103 S N 0.166 115.929 115.700 0.106 0.000 2.368 103 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 103 S C 1.929 176.511 174.600 -0.030 0.000 1.030 103 S CA 1.051 59.273 58.200 0.036 0.000 0.999 103 S CB -0.252 62.960 63.200 0.021 0.000 0.844 103 S HN 0.459 nan 8.310 nan 0.000 0.459 104 R N 0.790 121.263 120.500 -0.045 0.000 2.193 104 R HA 0.035 4.375 4.340 -0.000 0.000 0.229 104 R C 1.534 177.764 176.300 -0.116 0.000 1.110 104 R CA 0.748 56.813 56.100 -0.058 0.000 0.988 104 R CB -0.105 30.178 30.300 -0.028 0.000 0.871 104 R HN 0.345 nan 8.270 nan 0.000 0.458 105 Q N 0.202 119.875 119.800 -0.212 0.000 2.320 105 Q HA 0.069 4.409 4.340 -0.000 0.000 0.201 105 Q C -0.357 175.555 176.000 -0.146 0.000 0.910 105 Q CA 0.103 55.712 55.803 -0.323 0.000 0.946 105 Q CB 0.155 28.363 28.738 -0.883 0.000 1.062 105 Q HN 0.373 nan 8.270 nan 0.000 0.503 106 N N -0.689 117.972 118.700 -0.065 0.000 2.754 106 N HA -0.148 4.592 4.740 -0.000 0.000 0.248 106 N C -1.028 174.520 175.510 0.063 0.000 1.093 106 N CA 0.099 53.149 53.050 -0.000 0.000 0.699 106 N CB -1.073 37.420 38.487 0.011 0.000 1.016 106 N HN -0.042 nan 8.380 nan 0.000 0.552 107 V N 1.117 121.085 119.914 0.090 0.000 2.432 107 V HA 0.225 4.345 4.120 -0.000 0.000 0.275 107 V C 0.833 177.069 176.094 0.236 0.000 1.043 107 V CA 0.261 62.680 62.300 0.198 0.000 0.925 107 V CB 1.548 33.509 31.823 0.230 0.000 0.985 107 V HN 0.355 nan 8.190 nan 0.000 0.466 108 D N 1.383 121.893 120.400 0.183 0.000 2.520 108 D HA 0.100 4.740 4.640 -0.000 0.000 0.223 108 D C 0.311 176.678 176.300 0.111 0.000 1.186 108 D CA 0.009 54.075 54.000 0.110 0.000 0.821 108 D CB 0.653 41.462 40.800 0.016 0.000 1.072 108 D HN 0.459 nan 8.370 nan 0.000 0.518 109 T N 0.113 114.685 114.554 0.029 0.000 2.886 109 T HA 0.641 4.990 4.350 -0.000 0.000 0.292 109 T C -0.954 173.532 174.700 -0.357 0.000 1.012 109 T CA -0.627 61.313 62.100 -0.265 0.000 0.982 109 T CB 2.514 71.050 68.868 -0.554 0.000 1.018 109 T HN -0.114 nan 8.240 nan 0.000 0.451 110 V N 3.398 122.999 119.914 -0.521 0.000 2.686 110 V HA 0.566 4.686 4.120 -0.000 0.000 0.306 110 V C -1.361 174.187 176.094 -0.910 0.000 1.065 110 V CA -0.995 61.035 62.300 -0.450 0.000 0.894 110 V CB 1.613 33.354 31.823 -0.137 0.000 1.004 110 V HN 0.833 nan 8.190 nan 0.000 0.424 111 F N 2.539 122.262 119.950 -0.378 0.000 2.436 111 F HA 0.919 5.446 4.527 -0.000 0.000 0.340 111 F C 0.828 176.428 175.800 -0.333 0.000 1.113 111 F CA -0.196 57.562 58.000 -0.403 0.000 1.022 111 F CB 2.083 40.967 39.000 -0.193 0.000 1.128 111 F HN 0.721 nan 8.300 nan 0.000 0.466 112 G N 1.486 110.145 108.800 -0.234 0.000 0.000 112 G HA2 0.449 4.409 3.960 -0.000 0.000 0.000 112 G HA3 0.449 4.409 3.960 -0.000 0.000 0.000 112 G C -2.714 172.477 174.900 0.485 0.000 0.000 112 G CA -0.695 44.518 45.100 0.188 0.000 0.000 112 G HN 0.423 nan 8.290 nan 0.000 0.000 113 Y N 1.213 121.707 120.300 0.322 0.000 2.470 113 Y HA 0.636 5.186 4.550 -0.000 0.000 0.341 113 Y C -2.212 173.653 175.900 -0.058 0.000 1.021 113 Y CA -1.670 56.532 58.100 0.170 0.000 1.025 113 Y CB 3.058 41.549 38.460 0.051 0.000 1.266 113 Y HN 0.528 nan 8.280 nan 0.000 0.448 114 P HA 0.484 nan 4.420 nan 0.000 0.272 114 P C -0.688 176.392 177.300 -0.367 0.000 1.230 114 P CA 0.069 62.622 63.100 -0.912 0.000 0.788 114 P CB 1.565 32.428 31.700 -1.396 0.000 0.949 115 G N -0.870 107.734 108.800 -0.326 0.000 2.519 115 G HA2 0.411 4.371 3.960 -0.000 0.000 0.292 115 G HA3 0.411 4.371 3.960 -0.000 0.000 0.292 115 G C 0.656 175.475 174.900 -0.136 0.000 1.507 115 G CA -0.099 44.909 45.100 -0.153 0.000 0.806 115 G HN 0.485 nan 8.290 nan 0.000 0.523 116 G N 0.383 109.137 108.800 -0.077 0.000 2.476 116 G HA2 0.079 4.038 3.960 -0.000 0.000 0.218 116 G HA3 0.079 4.038 3.960 -0.000 0.000 0.218 116 G C 2.015 176.885 174.900 -0.051 0.000 1.164 116 G CA 2.138 47.207 45.100 -0.051 0.000 0.768 116 G HN 1.583 nan 8.290 nan 0.000 0.560 117 A N -0.071 122.717 122.820 -0.054 0.000 2.015 117 A HA 0.142 4.462 4.320 -0.000 0.000 0.219 117 A C 2.158 179.709 177.584 -0.056 0.000 1.163 117 A CA 1.385 53.392 52.037 -0.051 0.000 0.646 117 A CB -0.173 18.791 19.000 -0.060 0.000 0.806 117 A HN 0.430 nan 8.150 nan 0.000 0.448 118 I N -1.198 119.332 120.570 -0.067 0.000 3.956 118 I HA 0.158 4.328 4.170 -0.000 0.000 0.333 118 I C 1.496 177.575 176.117 -0.064 0.000 1.302 118 I CA -0.106 61.153 61.300 -0.068 0.000 1.122 118 I CB -0.143 37.830 38.000 -0.045 0.000 1.013 118 I HN 0.207 nan 8.210 nan 0.000 0.405 119 L N 2.135 123.318 121.223 -0.067 0.000 2.010 119 L HA -0.163 4.177 4.340 -0.000 0.000 0.219 119 L C -0.568 176.281 176.870 -0.035 0.000 1.077 119 L CA 2.613 57.426 54.840 -0.046 0.000 0.773 119 L CB -1.633 40.391 42.059 -0.059 0.000 0.892 119 L HN 0.179 nan 8.230 nan 0.000 0.436 120 P HA -0.174 nan 4.420 nan 0.000 0.216 120 P C 1.926 179.153 177.300 -0.121 0.000 1.153 120 P CA 1.739 64.793 63.100 -0.076 0.000 0.858 120 P CB -0.017 31.640 31.700 -0.072 0.000 0.789 121 V N -2.093 117.710 119.914 -0.185 0.000 2.407 121 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 121 V C 2.265 178.190 176.094 -0.281 0.000 1.041 121 V CA 1.312 63.405 62.300 -0.345 0.000 1.040 121 V CB -1.369 30.063 31.823 -0.652 0.000 0.671 121 V HN 0.015 nan 8.190 nan 0.000 0.455 122 Y N 1.758 121.883 120.300 -0.291 0.000 2.097 122 Y HA -0.288 4.262 4.550 -0.000 0.000 0.282 122 Y C 2.444 178.181 175.900 -0.272 0.000 1.152 122 Y CA 2.189 60.113 58.100 -0.294 0.000 1.136 122 Y CB -0.377 37.916 38.460 -0.278 0.000 0.975 122 Y HN 0.308 nan 8.280 nan 0.000 0.498 123 D N 0.022 120.341 120.400 -0.135 0.000 2.123 123 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 123 D C 2.277 178.476 176.300 -0.168 0.000 0.992 123 D CA 1.499 55.405 54.000 -0.157 0.000 0.833 123 D CB -0.594 40.168 40.800 -0.063 0.000 0.954 123 D HN 0.506 nan 8.370 nan 0.000 0.455 124 A N 1.163 123.892 122.820 -0.151 0.000 1.877 124 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 124 A C 2.253 179.764 177.584 -0.121 0.000 1.186 124 A CA 0.947 52.921 52.037 -0.106 0.000 0.620 124 A CB -0.448 18.500 19.000 -0.087 0.000 0.822 124 A HN 0.120 nan 8.150 nan 0.000 0.443 125 I N -0.829 119.605 120.570 -0.226 0.000 2.233 125 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 125 I C 2.397 178.374 176.117 -0.233 0.000 1.093 125 I CA 1.625 62.775 61.300 -0.251 0.000 1.380 125 I CB -1.436 36.406 38.000 -0.263 0.000 1.067 125 I HN 0.549 nan 8.210 nan 0.000 0.413 126 H N 1.683 120.376 119.070 -0.628 0.000 2.456 126 H HA -0.097 4.459 4.556 -0.000 0.000 0.296 126 H C 1.374 176.512 175.328 -0.316 0.000 1.079 126 H CA 1.228 56.860 56.048 -0.693 0.000 1.322 126 H CB 0.263 29.275 29.762 -1.250 0.000 1.388 126 H HN 0.306 nan 8.280 nan 0.000 0.538 127 N N 0.308 118.936 118.700 -0.119 0.000 2.412 127 N HA -0.069 4.671 4.740 -0.000 0.000 0.184 127 N C 0.301 175.788 175.510 -0.038 0.000 1.101 127 N CA 0.147 53.163 53.050 -0.056 0.000 0.881 127 N CB 0.322 38.800 38.487 -0.015 0.000 0.969 127 N HN 0.071 nan 8.380 nan 0.000 0.459 128 S N 1.312 117.017 115.700 0.009 0.000 2.525 128 S HA 0.086 4.556 4.470 -0.000 0.000 0.278 128 S C 0.697 175.329 174.600 0.054 0.000 1.234 128 S CA -0.716 57.536 58.200 0.087 0.000 1.058 128 S CB 0.975 64.344 63.200 0.282 0.000 0.983 128 S HN 0.223 nan 8.310 nan 0.000 0.495 129 D N 3.802 124.195 120.400 -0.012 0.000 2.340 129 D HA 0.030 4.670 4.640 -0.000 0.000 0.220 129 D C 0.822 177.056 176.300 -0.110 0.000 1.039 129 D CA 0.216 54.186 54.000 -0.050 0.000 0.866 129 D CB 0.038 40.806 40.800 -0.054 0.000 0.913 129 D HN 0.558 nan 8.370 nan 0.000 0.523 130 K N -0.553 119.728 120.400 -0.197 0.000 2.432 130 K HA 0.105 4.425 4.320 -0.000 0.000 0.196 130 K C -0.239 175.891 176.600 -0.784 0.000 1.038 130 K CA 0.430 56.401 56.287 -0.527 0.000 0.986 130 K CB 0.198 32.233 32.500 -0.774 0.000 0.782 130 K HN 0.132 nan 8.250 nan 0.000 0.485 131 F N 0.045 119.972 119.950 -0.038 0.000 2.576 131 F HA 0.251 4.778 4.527 -0.000 0.000 0.313 131 F C -0.042 175.727 175.800 -0.051 0.000 1.078 131 F CA -1.643 56.335 58.000 -0.036 0.000 0.921 131 F CB 0.900 39.897 39.000 -0.005 0.000 1.232 131 F HN -0.237 nan 8.300 nan 0.000 0.459 132 N N 2.312 121.073 118.700 0.100 0.000 2.462 132 N HA 0.176 4.916 4.740 -0.000 0.000 0.242 132 N C -1.538 173.940 175.510 -0.053 0.000 1.010 132 N CA -0.305 52.746 53.050 0.001 0.000 0.939 132 N CB 0.176 38.632 38.487 -0.052 0.000 1.127 132 N HN 0.520 nan 8.380 nan 0.000 0.509 133 F N 4.480 124.347 119.950 -0.138 0.000 2.404 133 F HA 0.365 4.892 4.527 -0.000 0.000 0.358 133 F C -0.342 175.380 175.800 -0.129 0.000 1.120 133 F CA -0.605 57.299 58.000 -0.159 0.000 1.144 133 F CB 0.674 39.586 39.000 -0.147 0.000 1.133 133 F HN 0.141 nan 8.300 nan 0.000 0.495 134 V N 7.928 127.525 119.914 -0.528 0.000 2.383 134 V HA 0.259 4.379 4.120 -0.000 0.000 0.275 134 V C -0.054 175.980 176.094 -0.101 0.000 1.036 134 V CA -0.693 61.467 62.300 -0.234 0.000 0.889 134 V CB 1.251 32.917 31.823 -0.262 0.000 0.985 134 V HN 0.547 nan 8.190 nan 0.000 0.459 135 L N 9.008 130.319 121.223 0.147 0.000 2.272 135 L HA 0.525 4.865 4.340 -0.000 0.000 0.289 135 L C -1.893 175.128 176.870 0.251 0.000 1.032 135 L CA -1.181 53.817 54.840 0.263 0.000 0.810 135 L CB 2.031 44.278 42.059 0.312 0.000 1.205 135 L HN 0.498 nan 8.230 nan 0.000 0.422 136 P HA 0.309 nan 4.420 nan 0.000 0.314 136 P C -0.504 176.972 177.300 0.292 0.000 1.306 136 P CA -0.518 62.727 63.100 0.241 0.000 0.782 136 P CB 1.674 33.492 31.700 0.198 0.000 1.337 137 K N -1.820 118.695 120.400 0.192 0.000 2.354 137 K HA 0.131 4.451 4.320 -0.000 0.000 0.194 137 K C 0.413 177.015 176.600 0.002 0.000 1.038 137 K CA 0.583 56.970 56.287 0.166 0.000 1.052 137 K CB -0.045 32.530 32.500 0.125 0.000 0.861 137 K HN 0.571 nan 8.250 nan 0.000 0.535 138 H N 0.100 119.093 119.070 -0.127 0.000 2.954 138 H HA 0.164 4.720 4.556 -0.000 0.000 0.361 138 H C -0.053 175.173 175.328 -0.171 0.000 1.122 138 H CA -0.066 55.847 56.048 -0.226 0.000 1.217 138 H CB 1.802 31.488 29.762 -0.127 0.000 1.776 138 H HN -0.212 nan 8.280 nan 0.000 0.533 139 E N 2.234 122.308 120.200 -0.210 0.000 2.171 139 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 139 E C 1.877 178.525 176.600 0.081 0.000 0.997 139 E CA 1.559 57.936 56.400 -0.038 0.000 0.810 139 E CB 0.169 29.799 29.700 -0.116 0.000 0.738 139 E HN 0.625 nan 8.360 nan 0.000 0.467 140 Q N -0.087 119.887 119.800 0.290 0.000 2.135 140 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 140 Q C 2.167 178.123 176.000 -0.073 0.000 0.981 140 Q CA 1.639 57.450 55.803 0.013 0.000 0.856 140 Q CB -0.349 28.350 28.738 -0.065 0.000 0.902 140 Q HN 0.394 nan 8.270 nan 0.000 0.425 141 G N 0.387 109.213 108.800 0.043 0.000 2.446 141 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 141 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 141 G C 1.464 176.365 174.900 0.001 0.000 1.168 141 G CA 1.025 46.148 45.100 0.038 0.000 0.771 141 G HN 0.513 nan 8.290 nan 0.000 0.551 142 A N 0.923 123.763 122.820 0.033 0.000 1.883 142 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 142 A C 2.737 180.262 177.584 -0.099 0.000 1.186 142 A CA 2.320 54.379 52.037 0.037 0.000 0.624 142 A CB -1.205 17.862 19.000 0.112 0.000 0.822 142 A HN 0.590 nan 8.150 nan 0.000 0.444 143 G N -1.501 107.222 108.800 -0.128 0.000 2.421 143 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 143 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 143 G C 1.495 176.268 174.900 -0.212 0.000 1.171 143 G CA 1.148 46.133 45.100 -0.191 0.000 0.775 143 G HN 0.656 nan 8.290 nan 0.000 0.543 144 H N -0.043 118.955 119.070 -0.119 0.000 2.428 144 H HA 0.142 4.698 4.556 -0.000 0.000 0.296 144 H C 2.702 177.835 175.328 -0.325 0.000 1.062 144 H CA 0.906 56.842 56.048 -0.187 0.000 1.350 144 H CB -0.233 29.414 29.762 -0.192 0.000 1.403 144 H HN 0.342 nan 8.280 nan 0.000 0.533 145 M N -0.065 119.382 119.600 -0.255 0.000 2.117 145 M HA -0.096 4.384 4.480 -0.000 0.000 0.262 145 M C 2.673 178.478 176.300 -0.825 0.000 1.065 145 M CA 1.416 56.430 55.300 -0.476 0.000 1.114 145 M CB -0.187 32.134 32.600 -0.465 0.000 1.361 145 M HN 0.224 nan 8.290 nan 0.000 0.408 146 A N 0.377 122.664 122.820 -0.889 0.000 1.933 146 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 146 A C 1.911 179.388 177.584 -0.179 0.000 1.175 146 A CA 1.711 53.354 52.037 -0.657 0.000 0.628 146 A CB -0.646 18.181 19.000 -0.289 0.000 0.814 146 A HN 0.552 nan 8.150 nan 0.000 0.444 147 E N -0.708 119.423 120.200 -0.115 0.000 2.072 147 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 147 E C 2.189 178.789 176.600 0.001 0.000 0.985 147 E CA 0.736 57.146 56.400 0.017 0.000 0.801 147 E CB -0.387 29.396 29.700 0.138 0.000 0.750 147 E HN 0.601 nan 8.360 nan 0.000 0.452 148 G N 0.722 109.459 108.800 -0.106 0.000 2.418 148 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 148 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 148 G C 1.417 176.322 174.900 0.008 0.000 1.158 148 G CA 0.899 45.947 45.100 -0.087 0.000 0.771 148 G HN 0.280 nan 8.290 nan 0.000 0.545 149 Y N 1.979 122.218 120.300 -0.102 0.000 2.128 149 Y HA -0.058 4.492 4.550 -0.000 0.000 0.284 149 Y C 2.929 178.862 175.900 0.054 0.000 1.154 149 Y CA 1.765 59.878 58.100 0.023 0.000 1.149 149 Y CB -0.359 38.162 38.460 0.102 0.000 0.976 149 Y HN 0.252 nan 8.280 nan 0.000 0.505 150 A N 0.671 123.591 122.820 0.167 0.000 1.877 150 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 150 A C 2.272 179.871 177.584 0.024 0.000 1.186 150 A CA 1.849 53.946 52.037 0.099 0.000 0.620 150 A CB -0.645 18.444 19.000 0.147 0.000 0.822 150 A HN 0.552 nan 8.150 nan 0.000 0.443 151 R N -0.651 119.879 120.500 0.051 0.000 2.148 151 R HA -0.023 4.317 4.340 -0.000 0.000 0.227 151 R C 2.176 178.557 176.300 0.135 0.000 1.103 151 R CA 1.084 57.242 56.100 0.096 0.000 0.983 151 R CB -0.312 30.028 30.300 0.067 0.000 0.874 151 R HN 0.513 nan 8.270 nan 0.000 0.451 152 A N 0.318 123.149 122.820 0.018 0.000 2.081 152 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 152 A C 2.008 179.508 177.584 -0.140 0.000 1.158 152 A CA 1.061 53.099 52.037 0.002 0.000 0.724 152 A CB 0.081 19.079 19.000 -0.003 0.000 0.826 152 A HN 0.352 nan 8.150 nan 0.000 0.463 153 S N -2.985 112.563 115.700 -0.252 0.000 2.527 153 S HA 0.415 4.885 4.470 -0.000 0.000 0.227 153 S C 1.519 175.964 174.600 -0.260 0.000 1.059 153 S CA 1.213 59.220 58.200 -0.321 0.000 0.919 153 S CB 0.123 62.989 63.200 -0.556 0.000 0.805 153 S HN 1.759 nan 8.310 nan 0.000 0.500 154 G N 1.165 109.854 108.800 -0.184 0.000 2.175 154 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 154 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 154 G C -0.079 174.809 174.900 -0.021 0.000 0.982 154 G CA 0.232 45.264 45.100 -0.112 0.000 0.641 154 G HN 0.632 nan 8.290 nan 0.000 0.527 155 K N 1.518 121.917 120.400 -0.002 0.000 2.095 155 K HA 0.571 4.891 4.320 -0.000 0.000 0.252 155 K C -2.329 174.399 176.600 0.214 0.000 0.977 155 K CA -1.920 54.443 56.287 0.127 0.000 0.900 155 K CB 1.691 34.307 32.500 0.193 0.000 1.060 155 K HN 0.059 nan 8.250 nan 0.000 0.449 156 P HA 0.029 nan 4.420 nan 0.000 0.275 156 P C -0.475 177.007 177.300 0.304 0.000 1.228 156 P CA -0.349 62.881 63.100 0.216 0.000 0.786 156 P CB 0.752 32.539 31.700 0.145 0.000 0.927 157 G N 1.753 110.692 108.800 0.232 0.000 2.333 157 G HA2 0.426 4.386 3.960 -0.000 0.000 0.290 157 G HA3 0.426 4.386 3.960 -0.000 0.000 0.290 157 G C -0.473 174.530 174.900 0.171 0.000 1.150 157 G CA -0.390 44.858 45.100 0.246 0.000 0.895 157 G HN 0.333 nan 8.290 nan 0.000 0.444 158 V N 3.261 123.317 119.914 0.236 0.000 2.394 158 V HA 0.379 4.499 4.120 -0.000 0.000 0.282 158 V C 0.025 176.289 176.094 0.282 0.000 1.031 158 V CA -0.615 61.843 62.300 0.263 0.000 0.881 158 V CB 1.349 33.381 31.823 0.349 0.000 0.982 158 V HN 0.484 nan 8.190 nan 0.000 0.451 159 V N 6.146 126.210 119.914 0.251 0.000 2.555 159 V HA 0.550 4.670 4.120 -0.000 0.000 0.302 159 V C -0.617 175.651 176.094 0.290 0.000 1.038 159 V CA -0.639 61.792 62.300 0.218 0.000 0.887 159 V CB 1.874 33.764 31.823 0.111 0.000 0.991 159 V HN 0.659 nan 8.190 nan 0.000 0.434 160 L N 6.983 128.364 121.223 0.263 0.000 2.372 160 L HA 0.851 5.191 4.340 -0.000 0.000 0.274 160 L C -0.512 176.510 176.870 0.252 0.000 0.988 160 L CA -0.122 54.892 54.840 0.290 0.000 0.833 160 L CB 1.662 43.918 42.059 0.328 0.000 1.236 160 L HN 0.602 nan 8.230 nan 0.000 0.410 161 V N 0.879 120.897 119.914 0.173 0.000 3.160 161 V HA 0.730 4.850 4.120 -0.000 0.000 0.310 161 V C -0.097 176.031 176.094 0.056 0.000 1.181 161 V CA -0.445 61.929 62.300 0.123 0.000 1.047 161 V CB 1.585 33.454 31.823 0.077 0.000 1.068 161 V HN 0.706 nan 8.190 nan 0.000 0.441 162 T N 0.907 115.472 114.554 0.019 0.000 2.814 162 T HA 0.515 4.865 4.350 -0.000 0.000 0.284 162 T C 0.638 175.307 174.700 -0.053 0.000 0.998 162 T CA 0.419 62.501 62.100 -0.030 0.000 0.935 162 T CB 0.988 69.825 68.868 -0.053 0.000 1.167 162 T HN 1.637 nan 8.240 nan 0.000 0.545 163 S N -0.274 115.375 115.700 -0.085 0.000 2.634 163 S HA 0.567 5.037 4.470 -0.000 0.000 0.261 163 S C 1.346 175.857 174.600 -0.148 0.000 1.271 163 S CA -0.081 58.053 58.200 -0.110 0.000 0.985 163 S CB -0.052 63.072 63.200 -0.127 0.000 0.968 163 S HN 1.550 nan 8.310 nan 0.000 0.568 164 G N 1.644 110.351 108.800 -0.154 0.000 2.672 164 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.332 164 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.332 164 G C -0.938 173.881 174.900 -0.135 0.000 1.213 164 G CA 0.466 45.465 45.100 -0.168 0.000 0.980 164 G HN 0.753 nan 8.290 nan 0.000 0.548 165 P HA -0.045 nan 4.420 nan 0.000 0.220 165 P C 1.901 179.121 177.300 -0.134 0.000 1.148 165 P CA 2.603 65.627 63.100 -0.127 0.000 0.803 165 P CB -0.691 30.931 31.700 -0.130 0.000 0.782 166 G N 0.523 109.249 108.800 -0.123 0.000 2.402 166 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.216 166 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.216 166 G C 1.811 176.666 174.900 -0.076 0.000 1.162 166 G CA 0.967 46.007 45.100 -0.101 0.000 0.777 166 G HN 0.371 nan 8.290 nan 0.000 0.539 167 A N 0.843 123.619 122.820 -0.073 0.000 1.897 167 A HA 0.021 4.341 4.320 -0.000 0.000 0.215 167 A C 2.644 180.188 177.584 -0.066 0.000 1.181 167 A CA 2.523 54.523 52.037 -0.062 0.000 0.620 167 A CB -1.068 17.892 19.000 -0.067 0.000 0.821 167 A HN 0.503 nan 8.150 nan 0.000 0.443 168 T N -1.981 112.530 114.554 -0.071 0.000 2.915 168 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 168 T C 1.361 176.035 174.700 -0.043 0.000 1.071 168 T CA 1.582 63.646 62.100 -0.059 0.000 1.132 168 T CB -0.797 68.036 68.868 -0.058 0.000 0.878 168 T HN 0.591 nan 8.240 nan 0.000 0.479 169 N N 1.064 119.734 118.700 -0.050 0.000 2.550 169 N HA 0.047 4.787 4.740 -0.000 0.000 0.186 169 N C 1.422 176.932 175.510 0.000 0.000 1.110 169 N CA 0.731 53.781 53.050 0.000 0.000 0.912 169 N CB 0.082 38.518 38.487 -0.084 0.000 0.968 169 N HN 0.525 nan 8.380 nan 0.000 0.448 170 V N -3.274 116.616 119.914 -0.040 0.000 3.483 170 V HA 0.194 4.314 4.120 -0.000 0.000 0.301 170 V C 1.549 177.601 176.094 -0.070 0.000 1.389 170 V CA -0.035 62.227 62.300 -0.063 0.000 1.101 170 V CB -0.028 31.762 31.823 -0.055 0.000 0.971 170 V HN -0.100 nan 8.190 nan 0.000 0.434 171 V N 1.214 121.095 119.914 -0.055 0.000 2.295 171 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 171 V C 2.773 178.841 176.094 -0.043 0.000 1.049 171 V CA 2.979 65.246 62.300 -0.055 0.000 1.024 171 V CB -1.025 30.768 31.823 -0.050 0.000 0.648 171 V HN 0.654 nan 8.190 nan 0.000 0.447 172 T N 0.300 114.835 114.554 -0.031 0.000 2.684 172 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 172 T C -0.047 174.659 174.700 0.011 0.000 1.036 172 T CA 2.091 64.193 62.100 0.004 0.000 1.148 172 T CB -1.119 67.772 68.868 0.038 0.000 0.863 172 T HN 0.429 nan 8.240 nan 0.000 0.436 173 P HA 0.018 nan 4.420 nan 0.000 0.217 173 P C 1.573 178.871 177.300 -0.003 0.000 1.150 173 P CA 1.102 64.121 63.100 -0.136 0.000 0.832 173 P CB -0.122 31.355 31.700 -0.372 0.000 0.787 174 M N -1.270 118.317 119.600 -0.023 0.000 2.132 174 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 174 M C 2.163 178.497 176.300 0.057 0.000 1.065 174 M CA 1.890 57.194 55.300 0.005 0.000 1.122 174 M CB -0.870 31.705 32.600 -0.040 0.000 1.365 174 M HN -0.095 nan 8.290 nan 0.000 0.411 175 A N 0.105 122.944 122.820 0.031 0.000 1.933 175 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 175 A C 1.926 179.587 177.584 0.127 0.000 1.175 175 A CA 1.963 54.038 52.037 0.064 0.000 0.628 175 A CB -0.866 18.145 19.000 0.019 0.000 0.814 175 A HN 0.536 nan 8.150 nan 0.000 0.444 176 D N 0.099 120.561 120.400 0.103 0.000 2.097 176 D HA -0.097 4.543 4.640 -0.000 0.000 0.195 176 D C 2.133 178.483 176.300 0.084 0.000 0.989 176 D CA 1.469 55.522 54.000 0.088 0.000 0.827 176 D CB -0.096 40.800 40.800 0.161 0.000 0.966 176 D HN 0.322 nan 8.370 nan 0.000 0.456 177 A N 0.108 122.998 122.820 0.116 0.000 1.972 177 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 177 A C 2.079 179.726 177.584 0.104 0.000 1.169 177 A CA 0.866 52.962 52.037 0.098 0.000 0.635 177 A CB -1.020 18.037 19.000 0.094 0.000 0.810 177 A HN 0.390 nan 8.150 nan 0.000 0.446 178 F N 0.875 120.820 119.950 -0.008 0.000 2.146 178 F HA -0.035 4.492 4.527 -0.000 0.000 0.298 178 F C 2.474 178.265 175.800 -0.016 0.000 1.096 178 F CA 1.140 59.134 58.000 -0.010 0.000 1.275 178 F CB -0.338 38.656 39.000 -0.011 0.000 1.008 178 F HN 0.238 nan 8.300 nan 0.000 0.480 179 A N -0.758 122.092 122.820 0.050 0.000 1.929 179 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 179 A C 1.639 179.150 177.584 -0.121 0.000 1.176 179 A CA 1.773 53.776 52.037 -0.056 0.000 0.628 179 A CB -0.647 18.358 19.000 0.008 0.000 0.816 179 A HN 0.376 nan 8.150 nan 0.000 0.444 180 D N -0.849 119.494 120.400 -0.096 0.000 2.340 180 D HA 0.266 4.906 4.640 -0.000 0.000 0.217 180 D C 1.025 177.264 176.300 -0.102 0.000 1.081 180 D CA 0.873 54.808 54.000 -0.109 0.000 0.842 180 D CB -0.064 40.669 40.800 -0.111 0.000 0.934 180 D HN 0.495 nan 8.370 nan 0.000 0.511 181 G N 1.767 110.492 108.800 -0.125 0.000 2.359 181 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.298 181 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.298 181 G C 0.114 174.988 174.900 -0.044 0.000 1.030 181 G CA -0.040 44.995 45.100 -0.109 0.000 1.149 181 G HN 0.359 nan 8.290 nan 0.000 0.512 182 I N 1.730 122.292 120.570 -0.012 0.000 2.354 182 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 182 I C -1.743 174.394 176.117 0.034 0.000 0.989 182 I CA -2.697 58.616 61.300 0.022 0.000 1.188 182 I CB 2.220 40.246 38.000 0.043 0.000 1.342 182 I HN -0.010 nan 8.210 nan 0.000 0.457 183 P HA 0.128 nan 4.420 nan 0.000 0.271 183 P C -0.993 176.325 177.300 0.031 0.000 1.233 183 P CA -0.093 63.028 63.100 0.034 0.000 0.764 183 P CB 1.085 32.815 31.700 0.051 0.000 0.825 184 M N 3.877 123.471 119.600 -0.010 0.000 2.322 184 M HA 0.316 4.796 4.480 -0.000 0.000 0.285 184 M C -2.056 174.168 176.300 -0.125 0.000 1.119 184 M CA -0.858 54.424 55.300 -0.030 0.000 0.953 184 M CB 2.425 35.026 32.600 0.001 0.000 1.701 184 M HN -0.064 nan 8.290 nan 0.000 0.479 185 V N 5.139 124.936 119.914 -0.196 0.000 2.350 185 V HA 0.458 4.578 4.120 -0.000 0.000 0.285 185 V C -0.610 175.307 176.094 -0.295 0.000 1.014 185 V CA -0.676 61.400 62.300 -0.372 0.000 0.831 185 V CB 1.516 32.925 31.823 -0.690 0.000 1.000 185 V HN 0.668 nan 8.190 nan 0.000 0.433 186 V N 5.876 125.597 119.914 -0.322 0.000 2.370 186 V HA 0.494 4.614 4.120 -0.000 0.000 0.279 186 V C -0.507 175.396 176.094 -0.318 0.000 1.029 186 V CA -0.330 61.853 62.300 -0.195 0.000 0.870 186 V CB 1.206 32.962 31.823 -0.112 0.000 0.984 186 V HN 0.658 nan 8.190 nan 0.000 0.451 187 F N 2.978 122.979 119.950 0.084 0.000 2.426 187 F HA 0.570 5.097 4.527 -0.000 0.000 0.348 187 F C 0.654 176.469 175.800 0.026 0.000 1.124 187 F CA -0.513 57.539 58.000 0.086 0.000 1.008 187 F CB 2.069 41.165 39.000 0.160 0.000 1.139 187 F HN 0.500 nan 8.300 nan 0.000 0.452 188 T N 0.229 114.869 114.554 0.143 0.000 2.807 188 T HA 0.678 5.028 4.350 -0.000 0.000 0.279 188 T C 0.192 174.914 174.700 0.036 0.000 0.993 188 T CA -0.945 61.190 62.100 0.060 0.000 0.970 188 T CB 1.454 70.321 68.868 -0.002 0.000 0.950 188 T HN 0.768 nan 8.240 nan 0.000 0.441 189 G N 1.393 110.197 108.800 0.007 0.000 2.544 189 G HA2 0.471 4.431 3.960 -0.000 0.000 0.242 189 G HA3 0.471 4.431 3.960 -0.000 0.000 0.242 189 G C -0.560 174.320 174.900 -0.033 0.000 1.247 189 G CA -0.187 44.900 45.100 -0.021 0.000 0.840 189 G HN 0.864 nan 8.290 nan 0.000 0.578 190 Q N -0.512 119.268 119.800 -0.034 0.000 2.456 190 Q HA 0.487 4.827 4.340 -0.000 0.000 0.284 190 Q C -0.094 175.883 176.000 -0.038 0.000 1.061 190 Q CA -0.737 55.042 55.803 -0.041 0.000 0.799 190 Q CB 1.976 30.696 28.738 -0.031 0.000 1.445 190 Q HN 0.981 nan 8.270 nan 0.000 0.411 191 V N 0.272 120.160 119.914 -0.042 0.000 3.287 191 V HA 0.519 4.639 4.120 -0.000 0.000 0.306 191 V C -2.207 173.878 176.094 -0.015 0.000 1.103 191 V CA -1.323 60.961 62.300 -0.026 0.000 1.159 191 V CB -0.292 31.517 31.823 -0.023 0.000 1.036 191 V HN 0.790 nan 8.190 nan 0.000 0.487 192 P HA 0.077 nan 4.420 nan 0.000 0.265 192 P C 1.215 178.514 177.300 -0.003 0.000 1.187 192 P CA 0.926 64.024 63.100 -0.003 0.000 0.766 192 P CB 0.344 32.045 31.700 0.002 0.000 0.820 193 T N -0.990 113.564 114.554 -0.000 0.000 2.737 193 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 193 T C 1.697 176.398 174.700 0.001 0.000 1.040 193 T CA 1.846 63.947 62.100 0.000 0.000 1.142 193 T CB -1.270 67.601 68.868 0.005 0.000 0.861 193 T HN 0.463 nan 8.240 nan 0.000 0.456 194 S N 1.752 117.453 115.700 0.003 0.000 2.474 194 S HA 0.275 4.745 4.470 -0.000 0.000 0.235 194 S C 2.146 176.747 174.600 0.003 0.000 0.997 194 S CA 0.471 58.673 58.200 0.003 0.000 0.949 194 S CB -0.537 62.665 63.200 0.004 0.000 0.766 194 S HN 0.778 nan 8.310 nan 0.000 0.517 195 A N 0.860 123.682 122.820 0.002 0.000 2.220 195 A HA 0.431 4.751 4.320 -0.000 0.000 0.211 195 A C 0.744 178.327 177.584 -0.001 0.000 1.176 195 A CA -0.376 51.663 52.037 0.003 0.000 0.834 195 A CB -0.181 18.823 19.000 0.008 0.000 0.868 195 A HN 0.456 nan 8.150 nan 0.000 0.488 196 I N 1.176 121.743 120.570 -0.006 0.000 2.821 196 I HA 0.105 4.275 4.170 -0.000 0.000 0.294 196 I C 1.450 177.561 176.117 -0.010 0.000 1.210 196 I CA 1.895 63.188 61.300 -0.012 0.000 1.430 196 I CB -1.106 36.885 38.000 -0.014 0.000 1.356 196 I HN 0.541 nan 8.210 nan 0.000 0.563 197 G N 4.603 113.396 108.800 -0.012 0.000 2.212 197 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.255 197 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.255 197 G C 0.441 175.338 174.900 -0.005 0.000 1.062 197 G CA 0.424 45.517 45.100 -0.010 0.000 0.815 197 G HN 0.956 nan 8.290 nan 0.000 0.497 198 T N -3.195 111.358 114.554 -0.002 0.000 3.262 198 T HA 0.385 4.735 4.350 -0.000 0.000 0.300 198 T C 0.428 175.133 174.700 0.009 0.000 0.959 198 T CA 0.813 62.915 62.100 0.004 0.000 0.936 198 T CB 0.395 69.267 68.868 0.007 0.000 1.169 198 T HN 0.526 nan 8.240 nan 0.000 0.532 199 D N 1.398 121.801 120.400 0.005 0.000 2.723 199 D HA -0.129 4.511 4.640 -0.000 0.000 0.236 199 D C 0.557 176.875 176.300 0.030 0.000 1.138 199 D CA 0.934 54.941 54.000 0.011 0.000 0.676 199 D CB -1.446 39.361 40.800 0.013 0.000 1.069 199 D HN 0.890 nan 8.370 nan 0.000 0.430 200 A N 0.015 122.852 122.820 0.029 0.000 2.386 200 A HA 0.358 4.678 4.320 -0.000 0.000 0.246 200 A C 0.392 178.032 177.584 0.093 0.000 1.089 200 A CA -0.340 51.733 52.037 0.060 0.000 0.790 200 A CB 0.251 19.275 19.000 0.041 0.000 1.042 200 A HN 0.207 nan 8.150 nan 0.000 0.497 201 F N 1.000 120.939 119.950 -0.019 0.000 2.608 201 F HA 0.144 4.671 4.527 -0.000 0.000 0.380 201 F C 1.246 177.033 175.800 -0.023 0.000 1.083 201 F CA 1.080 59.068 58.000 -0.020 0.000 1.266 201 F CB -0.290 38.698 39.000 -0.021 0.000 1.076 201 F HN 0.800 nan 8.300 nan 0.000 0.574 202 Q N 1.721 121.113 119.800 -0.680 0.000 2.481 202 Q HA -0.307 4.033 4.340 -0.000 0.000 0.272 202 Q C -0.206 175.618 176.000 -0.293 0.000 1.157 202 Q CA 1.210 56.641 55.803 -0.620 0.000 0.935 202 Q CB -1.421 26.771 28.738 -0.910 0.000 1.338 202 Q HN 0.840 nan 8.270 nan 0.000 0.494 203 E N 0.025 120.122 120.200 -0.171 0.000 2.174 203 E HA 0.600 4.950 4.350 -0.000 0.000 0.282 203 E C -0.842 175.704 176.600 -0.090 0.000 0.992 203 E CA 0.166 56.504 56.400 -0.103 0.000 0.803 203 E CB 0.951 30.618 29.700 -0.056 0.000 1.090 203 E HN 0.314 nan 8.360 nan 0.000 0.396 204 A N 3.979 126.748 122.820 -0.085 0.000 2.449 204 A HA 0.222 4.542 4.320 -0.000 0.000 0.302 204 A C -0.845 176.699 177.584 -0.067 0.000 1.048 204 A CA -0.806 51.187 52.037 -0.074 0.000 0.708 204 A CB 1.606 20.555 19.000 -0.084 0.000 1.274 204 A HN 0.682 nan 8.150 nan 0.000 0.410 205 D N 2.668 123.032 120.400 -0.061 0.000 2.671 205 D HA 0.196 4.836 4.640 -0.000 0.000 0.228 205 D C 1.203 177.460 176.300 -0.072 0.000 1.102 205 D CA 0.099 54.062 54.000 -0.062 0.000 1.044 205 D CB -0.193 40.575 40.800 -0.054 0.000 1.113 205 D HN 0.143 nan 8.370 nan 0.000 0.480 206 V N 1.633 121.501 119.914 -0.078 0.000 2.392 206 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 206 V C 2.563 178.595 176.094 -0.104 0.000 1.059 206 V CA 1.079 63.327 62.300 -0.087 0.000 1.051 206 V CB -0.363 31.410 31.823 -0.084 0.000 0.658 206 V HN 0.363 nan 8.190 nan 0.000 0.455 207 V N 0.885 120.734 119.914 -0.110 0.000 2.407 207 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 207 V C 2.521 178.541 176.094 -0.123 0.000 1.055 207 V CA 2.252 64.471 62.300 -0.136 0.000 1.049 207 V CB -1.106 30.635 31.823 -0.137 0.000 0.662 207 V HN 0.627 nan 8.190 nan 0.000 0.455 208 G N -0.587 108.155 108.800 -0.097 0.000 2.396 208 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 208 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 208 G C 1.551 176.397 174.900 -0.089 0.000 1.166 208 G CA 0.680 45.728 45.100 -0.086 0.000 0.793 208 G HN 0.471 nan 8.290 nan 0.000 0.533 209 I N 1.859 122.376 120.570 -0.087 0.000 2.286 209 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 209 I C 2.611 178.664 176.117 -0.107 0.000 1.115 209 I CA 1.604 62.852 61.300 -0.087 0.000 1.392 209 I CB -0.086 37.867 38.000 -0.079 0.000 1.065 209 I HN 0.327 nan 8.210 nan 0.000 0.418 210 S N 0.008 115.634 115.700 -0.122 0.000 2.597 210 S HA 0.095 4.565 4.470 -0.000 0.000 0.224 210 S C 1.752 176.243 174.600 -0.181 0.000 0.955 210 S CA -0.428 57.683 58.200 -0.149 0.000 0.933 210 S CB -0.124 62.992 63.200 -0.141 0.000 0.788 210 S HN 0.317 nan 8.310 nan 0.000 0.488 211 R N 2.170 122.573 120.500 -0.162 0.000 2.073 211 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 211 R C 2.221 178.396 176.300 -0.208 0.000 1.134 211 R CA 1.985 57.989 56.100 -0.161 0.000 0.952 211 R CB -0.482 29.747 30.300 -0.118 0.000 0.850 211 R HN 0.628 nan 8.270 nan 0.000 0.433 212 S N -0.802 114.761 115.700 -0.229 0.000 2.522 212 S HA -0.064 4.406 4.470 -0.000 0.000 0.227 212 S C 1.649 175.862 174.600 -0.646 0.000 0.986 212 S CA 0.427 58.441 58.200 -0.309 0.000 0.929 212 S CB -0.250 62.835 63.200 -0.192 0.000 0.769 212 S HN 0.576 nan 8.310 nan 0.000 0.529 213 C N 1.462 120.397 119.300 -0.608 0.000 2.742 213 C HA 0.642 5.102 4.460 -0.000 0.000 0.283 213 C C 0.589 175.188 174.990 -0.651 0.000 1.451 213 C CA -0.398 58.123 59.018 -0.828 0.000 1.785 213 C CB -1.744 25.788 27.740 -0.347 0.000 2.664 213 C HN 0.537 nan 8.230 nan 0.000 0.544 214 T N -3.374 110.849 114.554 -0.552 0.000 2.900 214 T HA 0.439 4.789 4.350 -0.000 0.000 0.303 214 T C 0.208 174.965 174.700 0.096 0.000 1.142 214 T CA -0.554 61.488 62.100 -0.097 0.000 1.007 214 T CB 1.661 70.480 68.868 -0.082 0.000 1.156 214 T HN 0.191 nan 8.240 nan 0.000 0.490 215 K N -0.172 120.411 120.400 0.305 0.000 2.217 215 K HA 0.137 4.457 4.320 -0.000 0.000 0.202 215 K C -0.147 176.649 176.600 0.326 0.000 1.051 215 K CA 0.744 57.231 56.287 0.334 0.000 0.952 215 K CB 0.152 32.806 32.500 0.256 0.000 0.736 215 K HN 0.680 nan 8.250 nan 0.000 0.453 216 W N 0.725 122.040 121.300 0.026 0.000 3.319 216 W HA 0.171 4.831 4.660 -0.000 0.000 0.300 216 W C -2.209 174.292 176.519 -0.030 0.000 1.244 216 W CA -0.874 56.471 57.345 -0.000 0.000 1.193 216 W CB 0.830 30.296 29.460 0.010 0.000 1.359 216 W HN 0.021 nan 8.180 nan 0.000 0.568 217 N N 2.756 120.930 118.700 -0.876 0.000 2.825 217 N HA 0.790 5.530 4.740 -0.000 0.000 0.253 217 N C -2.193 172.597 175.510 -1.201 0.000 1.426 217 N CA -0.651 51.867 53.050 -0.887 0.000 0.851 217 N CB 2.318 40.550 38.487 -0.425 0.000 1.470 217 N HN 0.732 nan 8.380 nan 0.000 0.517 218 V N -0.888 118.556 119.914 -0.784 0.000 3.278 218 V HA 0.571 4.691 4.120 -0.000 0.000 0.288 218 V C -1.810 174.134 176.094 -0.250 0.000 1.514 218 V CA -0.906 61.080 62.300 -0.523 0.000 1.051 218 V CB 2.116 33.600 31.823 -0.565 0.000 1.163 218 V HN 0.945 nan 8.190 nan 0.000 0.458 219 M N 4.447 123.968 119.600 -0.133 0.000 2.125 219 M HA 0.593 5.073 4.480 -0.000 0.000 0.321 219 M C -1.275 175.024 176.300 -0.002 0.000 0.983 219 M CA -0.628 54.638 55.300 -0.057 0.000 0.934 219 M CB 1.486 34.055 32.600 -0.052 0.000 1.542 219 M HN 0.579 nan 8.290 nan 0.000 0.424 220 V N 6.677 126.615 119.914 0.040 0.000 2.529 220 V HA 0.036 4.156 4.120 -0.000 0.000 0.292 220 V C 1.073 177.197 176.094 0.049 0.000 1.028 220 V CA 0.184 62.528 62.300 0.072 0.000 1.074 220 V CB 0.427 32.315 31.823 0.109 0.000 0.958 220 V HN 0.851 nan 8.190 nan 0.000 0.481 221 K N 2.609 123.039 120.400 0.050 0.000 2.356 221 K HA 0.155 4.475 4.320 -0.000 0.000 0.195 221 K C 0.669 177.292 176.600 0.039 0.000 1.037 221 K CA 0.593 56.902 56.287 0.037 0.000 1.014 221 K CB 0.518 33.039 32.500 0.035 0.000 0.815 221 K HN 0.852 nan 8.250 nan 0.000 0.507 222 S N -1.875 113.855 115.700 0.050 0.000 2.567 222 S HA 0.164 4.634 4.470 -0.000 0.000 0.270 222 S C 0.566 175.200 174.600 0.056 0.000 1.152 222 S CA -0.646 57.582 58.200 0.046 0.000 0.835 222 S CB 1.538 64.765 63.200 0.045 0.000 1.115 222 S HN -0.205 nan 8.310 nan 0.000 0.459 223 V N 1.317 121.260 119.914 0.049 0.000 2.594 223 V HA -0.091 4.029 4.120 -0.000 0.000 0.253 223 V C 2.038 178.173 176.094 0.070 0.000 1.069 223 V CA 2.588 64.918 62.300 0.051 0.000 1.082 223 V CB -1.018 30.827 31.823 0.036 0.000 0.680 223 V HN 0.933 nan 8.190 nan 0.000 0.469 224 E N 0.010 120.254 120.200 0.074 0.000 2.204 224 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 224 E C 2.141 178.802 176.600 0.102 0.000 0.989 224 E CA 1.338 57.792 56.400 0.090 0.000 0.824 224 E CB -0.159 29.585 29.700 0.074 0.000 0.756 224 E HN 0.756 nan 8.360 nan 0.000 0.477 225 E N -0.052 120.206 120.200 0.096 0.000 2.371 225 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 225 E C 1.679 178.359 176.600 0.133 0.000 1.012 225 E CA -0.020 56.446 56.400 0.110 0.000 0.860 225 E CB 0.118 29.878 29.700 0.101 0.000 0.811 225 E HN 0.126 nan 8.360 nan 0.000 0.502 226 L N 1.645 122.942 121.223 0.124 0.000 1.990 226 L HA -0.133 4.207 4.340 -0.000 0.000 0.213 226 L C -1.032 175.929 176.870 0.151 0.000 1.072 226 L CA 2.163 57.085 54.840 0.138 0.000 0.755 226 L CB -1.148 40.968 42.059 0.095 0.000 0.889 226 L HN 0.089 nan 8.230 nan 0.000 0.432 227 P HA -0.176 nan 4.420 nan 0.000 0.215 227 P C 1.942 179.340 177.300 0.163 0.000 1.153 227 P CA 1.236 64.431 63.100 0.157 0.000 0.853 227 P CB -0.136 31.723 31.700 0.264 0.000 0.788 228 L N -0.391 120.927 121.223 0.158 0.000 1.971 228 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 228 L C 2.239 179.220 176.870 0.185 0.000 1.072 228 L CA 2.112 57.040 54.840 0.146 0.000 0.758 228 L CB -0.920 41.217 42.059 0.131 0.000 0.889 228 L HN -0.199 nan 8.230 nan 0.000 0.433 229 R N -0.016 120.627 120.500 0.240 0.000 2.091 229 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 229 R C 2.329 178.861 176.300 0.386 0.000 1.136 229 R CA 1.923 58.233 56.100 0.350 0.000 0.959 229 R CB -1.182 29.322 30.300 0.341 0.000 0.856 229 R HN 0.500 nan 8.270 nan 0.000 0.437 230 I N 1.393 122.178 120.570 0.359 0.000 2.179 230 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 230 I C 1.880 178.246 176.117 0.415 0.000 1.088 230 I CA 1.255 62.825 61.300 0.451 0.000 1.357 230 I CB -0.386 37.790 38.000 0.293 0.000 1.051 230 I HN 0.149 nan 8.210 nan 0.000 0.409 231 N N 0.800 119.643 118.700 0.239 0.000 2.166 231 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 231 N C 1.702 177.306 175.510 0.157 0.000 1.019 231 N CA 1.374 54.527 53.050 0.172 0.000 0.856 231 N CB -0.256 38.287 38.487 0.093 0.000 0.993 231 N HN 0.489 nan 8.380 nan 0.000 0.426 232 E N 0.931 121.187 120.200 0.094 0.000 2.077 232 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 232 E C 2.047 178.572 176.600 -0.124 0.000 0.989 232 E CA 1.002 57.335 56.400 -0.112 0.000 0.800 232 E CB -0.113 29.421 29.700 -0.276 0.000 0.746 232 E HN 0.325 nan 8.360 nan 0.000 0.452 233 A N 1.086 123.994 122.820 0.146 0.000 1.883 233 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 233 A C 1.938 179.560 177.584 0.065 0.000 1.186 233 A CA 1.418 53.588 52.037 0.223 0.000 0.624 233 A CB -0.844 18.315 19.000 0.265 0.000 0.822 233 A HN 0.178 nan 8.150 nan 0.000 0.444 234 F N -0.271 119.728 119.950 0.081 0.000 2.234 234 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 234 F C 2.351 178.169 175.800 0.029 0.000 1.087 234 F CA 1.532 59.572 58.000 0.068 0.000 1.340 234 F CB -0.227 38.821 39.000 0.080 0.000 1.031 234 F HN 0.425 nan 8.300 nan 0.000 0.500 235 E N 0.783 121.078 120.200 0.159 0.000 2.047 235 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 235 E C 2.256 178.858 176.600 0.002 0.000 0.987 235 E CA 1.511 57.947 56.400 0.059 0.000 0.799 235 E CB -0.223 29.477 29.700 -0.000 0.000 0.752 235 E HN 0.397 nan 8.360 nan 0.000 0.449 236 I N 0.989 121.523 120.570 -0.060 0.000 2.252 236 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 236 I C 2.591 178.709 176.117 0.002 0.000 1.102 236 I CA 0.931 62.192 61.300 -0.065 0.000 1.385 236 I CB -0.334 37.578 38.000 -0.146 0.000 1.064 236 I HN 0.177 nan 8.210 nan 0.000 0.414 237 A N 0.575 123.399 122.820 0.006 0.000 1.972 237 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 237 A C 2.230 179.826 177.584 0.019 0.000 1.169 237 A CA 2.268 54.305 52.037 0.001 0.000 0.635 237 A CB -0.917 18.035 19.000 -0.080 0.000 0.810 237 A HN 0.534 nan 8.150 nan 0.000 0.446 238 T N -2.611 111.966 114.554 0.039 0.000 3.054 238 T HA 0.319 4.669 4.350 -0.000 0.000 0.255 238 T C 0.633 175.361 174.700 0.048 0.000 1.035 238 T CA 0.468 62.602 62.100 0.056 0.000 0.941 238 T CB -0.398 68.526 68.868 0.093 0.000 1.026 238 T HN 0.529 nan 8.240 nan 0.000 0.533 239 S N -0.301 115.419 115.700 0.033 0.000 2.704 239 S HA 0.791 5.261 4.470 -0.000 0.000 0.305 239 S C 1.070 175.682 174.600 0.020 0.000 1.107 239 S CA -0.196 58.021 58.200 0.028 0.000 0.993 239 S CB 1.045 64.254 63.200 0.016 0.000 1.110 239 S HN 1.029 nan 8.310 nan 0.000 0.534 240 G N 1.529 110.341 108.800 0.020 0.000 2.634 240 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.309 240 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.309 240 G C -0.119 174.787 174.900 0.009 0.000 1.265 240 G CA 0.444 45.552 45.100 0.013 0.000 0.998 240 G HN 1.023 nan 8.290 nan 0.000 0.551 241 R N 1.770 122.265 120.500 -0.008 0.000 2.216 241 R HA 0.439 4.779 4.340 -0.000 0.000 0.332 241 R C -2.220 174.065 176.300 -0.025 0.000 1.056 241 R CA -1.473 54.612 56.100 -0.027 0.000 0.901 241 R CB 0.619 30.882 30.300 -0.062 0.000 1.039 241 R HN 0.258 nan 8.270 nan 0.000 0.456 242 P HA 0.106 nan 4.420 nan 0.000 0.267 242 P C -0.554 176.736 177.300 -0.016 0.000 1.201 242 P CA 0.078 63.179 63.100 0.001 0.000 0.775 242 P CB 0.874 32.583 31.700 0.016 0.000 0.854 243 G N 0.857 109.665 108.800 0.014 0.000 2.495 243 G HA2 0.495 4.455 3.960 -0.000 0.000 0.294 243 G HA3 0.495 4.455 3.960 -0.000 0.000 0.294 243 G C -3.319 171.625 174.900 0.074 0.000 1.397 243 G CA -0.909 44.214 45.100 0.039 0.000 0.790 243 G HN 0.277 nan 8.290 nan 0.000 0.486 244 P HA 0.532 nan 4.420 nan 0.000 0.286 244 P C -0.367 176.978 177.300 0.075 0.000 1.261 244 P CA -0.409 62.734 63.100 0.073 0.000 0.821 244 P CB 1.905 33.654 31.700 0.081 0.000 1.013 245 V N 1.127 121.042 119.914 0.002 0.000 2.962 245 V HA 0.715 4.835 4.120 -0.000 0.000 0.313 245 V C -0.954 175.074 176.094 -0.111 0.000 1.099 245 V CA -1.186 61.129 62.300 0.024 0.000 0.971 245 V CB 2.030 33.944 31.823 0.150 0.000 1.028 245 V HN 0.514 nan 8.190 nan 0.000 0.430 246 L N 3.123 124.251 121.223 -0.159 0.000 2.386 246 L HA 0.887 5.227 4.340 -0.000 0.000 0.271 246 L C -1.365 175.341 176.870 -0.275 0.000 0.993 246 L CA -0.625 54.078 54.840 -0.227 0.000 0.819 246 L CB 2.136 44.085 42.059 -0.183 0.000 1.294 246 L HN 0.678 nan 8.230 nan 0.000 0.414 247 V N 3.234 122.993 119.914 -0.258 0.000 2.380 247 V HA 0.288 4.408 4.120 -0.000 0.000 0.286 247 V C -0.844 175.252 176.094 0.004 0.000 1.015 247 V CA -0.563 61.663 62.300 -0.124 0.000 0.834 247 V CB 1.412 33.227 31.823 -0.013 0.000 1.009 247 V HN 0.677 nan 8.190 nan 0.000 0.428 248 D N 4.524 124.904 120.400 -0.032 0.000 2.317 248 D HA 0.395 5.035 4.640 -0.000 0.000 0.252 248 D C -0.413 175.914 176.300 0.045 0.000 1.174 248 D CA 0.160 54.157 54.000 -0.005 0.000 0.866 248 D CB 0.913 41.681 40.800 -0.054 0.000 1.127 248 D HN 0.426 nan 8.370 nan 0.000 0.467 249 L N 6.236 127.497 121.223 0.063 0.000 2.301 249 L HA 0.390 4.730 4.340 -0.000 0.000 0.278 249 L C -2.153 174.725 176.870 0.013 0.000 1.022 249 L CA -1.964 52.910 54.840 0.058 0.000 0.854 249 L CB 1.467 43.566 42.059 0.068 0.000 1.226 249 L HN 0.189 nan 8.230 nan 0.000 0.429 250 P HA 0.027 nan 4.420 nan 0.000 0.268 250 P C 0.477 177.771 177.300 -0.009 0.000 1.205 250 P CA -0.173 62.925 63.100 -0.004 0.000 0.771 250 P CB 0.973 32.674 31.700 0.001 0.000 0.858 251 K N 3.197 123.588 120.400 -0.016 0.000 2.044 251 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 251 K C 1.308 177.899 176.600 -0.015 0.000 1.049 251 K CA 2.158 58.432 56.287 -0.021 0.000 0.927 251 K CB -0.345 32.144 32.500 -0.020 0.000 0.713 251 K HN 0.539 nan 8.250 nan 0.000 0.443 252 D N 0.085 120.480 120.400 -0.007 0.000 2.218 252 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 252 D C 1.872 178.172 176.300 0.000 0.000 0.976 252 D CA 0.946 54.944 54.000 -0.003 0.000 0.853 252 D CB -0.455 40.346 40.800 0.001 0.000 0.939 252 D HN 0.143 nan 8.370 nan 0.000 0.481 253 V N 1.285 121.201 119.914 0.003 0.000 2.379 253 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 253 V C 2.802 178.898 176.094 0.004 0.000 1.044 253 V CA 2.262 64.569 62.300 0.012 0.000 1.036 253 V CB -0.844 30.993 31.823 0.023 0.000 0.664 253 V HN 0.501 nan 8.190 nan 0.000 0.453 254 T N -1.619 112.929 114.554 -0.010 0.000 3.023 254 T HA 0.070 4.420 4.350 -0.000 0.000 0.266 254 T C 1.651 176.331 174.700 -0.033 0.000 1.093 254 T CA 1.086 63.169 62.100 -0.029 0.000 1.129 254 T CB -0.104 68.724 68.868 -0.067 0.000 0.899 254 T HN 0.409 nan 8.240 nan 0.000 0.491 255 A N 1.048 123.853 122.820 -0.025 0.000 2.178 255 A HA 0.748 5.068 4.320 -0.000 0.000 0.211 255 A C 1.517 179.093 177.584 -0.012 0.000 1.157 255 A CA 0.221 52.245 52.037 -0.022 0.000 0.780 255 A CB -0.617 18.371 19.000 -0.020 0.000 0.828 255 A HN 0.736 nan 8.150 nan 0.000 0.476 256 A N -0.205 122.611 122.820 -0.005 0.000 2.346 256 A HA 0.590 4.910 4.320 -0.000 0.000 0.252 256 A C -0.066 177.520 177.584 0.004 0.000 1.089 256 A CA -0.091 51.947 52.037 0.003 0.000 0.797 256 A CB 0.069 19.075 19.000 0.010 0.000 1.047 256 A HN 0.344 nan 8.150 nan 0.000 0.494 257 I N 1.035 121.611 120.570 0.011 0.000 2.377 257 I HA 0.176 4.346 4.170 -0.000 0.000 0.293 257 I C -0.481 175.653 176.117 0.028 0.000 0.987 257 I CA -0.750 60.559 61.300 0.016 0.000 1.185 257 I CB 1.655 39.664 38.000 0.016 0.000 1.341 257 I HN 0.580 nan 8.210 nan 0.000 0.455 258 L N 7.950 129.197 121.223 0.039 0.000 2.500 258 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 258 L C 1.140 178.043 176.870 0.055 0.000 1.149 258 L CA 0.668 55.543 54.840 0.058 0.000 0.897 258 L CB -0.049 42.066 42.059 0.093 0.000 1.178 258 L HN 0.521 nan 8.230 nan 0.000 0.473 259 R N 2.447 122.974 120.500 0.046 0.000 2.175 259 R HA 0.266 4.606 4.340 -0.000 0.000 0.202 259 R C -0.075 176.248 176.300 0.039 0.000 1.018 259 R CA 0.380 56.503 56.100 0.038 0.000 1.029 259 R CB -0.246 30.071 30.300 0.029 0.000 0.959 259 R HN 0.636 nan 8.270 nan 0.000 0.480 260 N N 1.467 120.193 118.700 0.043 0.000 2.443 260 N HA 0.378 5.118 4.740 -0.000 0.000 0.293 260 N C -2.604 172.933 175.510 0.045 0.000 1.159 260 N CA -1.673 51.400 53.050 0.038 0.000 0.904 260 N CB 1.105 39.613 38.487 0.034 0.000 1.214 260 N HN -0.158 nan 8.380 nan 0.000 0.513 261 P HA 0.356 nan 4.420 nan 0.000 0.274 261 P C -0.461 176.858 177.300 0.032 0.000 1.246 261 P CA -0.308 62.808 63.100 0.027 0.000 0.795 261 P CB 0.706 32.411 31.700 0.009 0.000 1.006 262 I N -2.733 117.854 120.570 0.028 0.000 2.828 262 I HA 0.591 4.761 4.170 -0.000 0.000 0.302 262 I C -2.756 173.368 176.117 0.013 0.000 1.101 262 I CA -3.445 57.877 61.300 0.037 0.000 1.031 262 I CB 2.444 40.488 38.000 0.074 0.000 1.231 262 I HN 0.078 nan 8.210 nan 0.000 0.427 263 P HA 0.033 nan 4.420 nan 0.000 0.264 263 P C 0.602 177.899 177.300 -0.005 0.000 1.193 263 P CA 0.169 63.273 63.100 0.006 0.000 0.763 263 P CB 0.728 32.438 31.700 0.015 0.000 0.810 264 T N 2.465 117.005 114.554 -0.024 0.000 2.778 264 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 264 T C 1.678 176.367 174.700 -0.018 0.000 1.050 264 T CA 1.769 63.845 62.100 -0.040 0.000 1.137 264 T CB -0.313 68.529 68.868 -0.044 0.000 0.860 264 T HN 0.409 nan 8.240 nan 0.000 0.468 265 K N 1.319 121.717 120.400 -0.004 0.000 2.103 265 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 265 K C 2.336 178.947 176.600 0.019 0.000 1.048 265 K CA 1.807 58.097 56.287 0.005 0.000 0.930 265 K CB -0.659 31.846 32.500 0.008 0.000 0.716 265 K HN 0.550 nan 8.250 nan 0.000 0.444 266 T N -3.295 111.278 114.554 0.031 0.000 3.118 266 T HA -0.034 4.316 4.350 -0.000 0.000 0.260 266 T C 1.494 176.241 174.700 0.078 0.000 1.139 266 T CA 1.144 63.278 62.100 0.057 0.000 1.085 266 T CB -0.336 68.575 68.868 0.072 0.000 0.934 266 T HN 0.338 nan 8.240 nan 0.000 0.518 267 T N -0.813 113.774 114.554 0.055 0.000 3.001 267 T HA 0.419 4.769 4.350 -0.000 0.000 0.251 267 T C 0.473 175.200 174.700 0.045 0.000 1.040 267 T CA -0.506 61.642 62.100 0.080 0.000 0.985 267 T CB -0.259 68.604 68.868 -0.008 0.000 1.011 267 T HN 0.330 nan 8.240 nan 0.000 0.509 268 L N 2.622 123.855 121.223 0.017 0.000 2.276 268 L HA 0.447 4.787 4.340 -0.000 0.000 0.286 268 L C -2.500 174.378 176.870 0.012 0.000 1.061 268 L CA -2.526 52.316 54.840 0.005 0.000 0.807 268 L CB 0.965 43.020 42.059 -0.008 0.000 1.177 268 L HN -0.082 nan 8.230 nan 0.000 0.429 269 P HA -0.034 nan 4.420 nan 0.000 0.261 269 P C -0.427 176.880 177.300 0.011 0.000 1.183 269 P CA 0.209 63.311 63.100 0.002 0.000 0.761 269 P CB 0.448 32.135 31.700 -0.022 0.000 0.785 270 S N 1.164 116.877 115.700 0.021 0.000 4.085 270 S HA 0.127 4.597 4.470 -0.000 0.000 0.189 270 S C 1.186 175.799 174.600 0.022 0.000 1.392 270 S CA -0.115 58.095 58.200 0.016 0.000 0.972 270 S CB -1.514 61.691 63.200 0.008 0.000 1.482 270 S HN 0.634 nan 8.310 nan 0.000 0.446 271 N N 1.265 119.977 118.700 0.019 0.000 2.292 271 N HA 0.774 5.514 4.740 -0.000 0.000 0.278 271 N C 0.194 175.717 175.510 0.022 0.000 1.289 271 N CA 0.103 53.167 53.050 0.024 0.000 0.934 271 N CB 0.097 38.595 38.487 0.017 0.000 1.069 271 N HN 0.673 nan 8.380 nan 0.000 0.513 277 T N -1.786 112.781 114.554 0.021 0.000 2.919 277 T HA 0.795 5.145 4.350 -0.000 0.000 0.282 277 T C 0.135 174.848 174.700 0.022 0.000 1.020 277 T CA -0.341 61.773 62.100 0.024 0.000 0.994 277 T CB 1.909 70.796 68.868 0.031 0.000 1.180 277 T HN 0.686 nan 8.240 nan 0.000 0.566 278 S N -1.003 114.712 115.700 0.025 0.000 2.767 278 S HA 0.674 5.144 4.470 -0.000 0.000 0.300 278 S C 1.704 176.320 174.600 0.028 0.000 1.123 278 S CA -0.344 57.869 58.200 0.022 0.000 0.992 278 S CB 0.794 64.004 63.200 0.018 0.000 1.138 278 S HN 1.133 nan 8.310 nan 0.000 0.550 279 R N -0.229 120.285 120.500 0.024 0.000 2.189 279 R HA 0.293 4.633 4.340 -0.000 0.000 0.223 279 R C 2.330 178.653 176.300 0.038 0.000 1.092 279 R CA 1.771 57.888 56.100 0.028 0.000 0.989 279 R CB -1.932 28.381 30.300 0.021 0.000 0.876 279 R HN 1.024 nan 8.270 nan 0.000 0.457 280 A N 0.364 123.205 122.820 0.035 0.000 2.016 280 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 280 A C 2.196 179.827 177.584 0.077 0.000 1.162 280 A CA 1.327 53.388 52.037 0.041 0.000 0.662 280 A CB -0.029 18.980 19.000 0.015 0.000 0.812 280 A HN 0.664 nan 8.150 nan 0.000 0.450 281 Q N -0.505 119.341 119.800 0.077 0.000 2.165 281 Q HA -0.068 4.272 4.340 -0.000 0.000 0.197 281 Q C 1.170 177.238 176.000 0.114 0.000 0.952 281 Q CA 0.990 56.862 55.803 0.116 0.000 0.848 281 Q CB -0.048 28.737 28.738 0.079 0.000 0.931 281 Q HN 0.551 nan 8.270 nan 0.000 0.470 282 D N 1.217 121.658 120.400 0.069 0.000 2.144 282 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 282 D C 1.552 177.878 176.300 0.044 0.000 0.984 282 D CA 1.167 55.193 54.000 0.044 0.000 0.834 282 D CB 0.089 40.907 40.800 0.031 0.000 0.955 282 D HN 0.332 nan 8.370 nan 0.000 0.465 283 E N -0.042 120.199 120.200 0.067 0.000 2.028 283 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 283 E C 1.971 178.630 176.600 0.098 0.000 0.988 283 E CA 0.344 56.785 56.400 0.069 0.000 0.799 283 E CB -0.218 29.526 29.700 0.073 0.000 0.755 283 E HN 0.164 nan 8.360 nan 0.000 0.447 284 F N 1.935 121.879 119.950 -0.010 0.000 2.120 284 F HA -0.259 4.268 4.527 -0.000 0.000 0.300 284 F C 2.047 177.834 175.800 -0.021 0.000 1.095 284 F CA 1.598 59.589 58.000 -0.015 0.000 1.249 284 F CB -0.771 38.219 39.000 -0.016 0.000 0.995 284 F HN -0.039 nan 8.300 nan 0.000 0.480 285 V N 0.228 119.976 119.914 -0.276 0.000 2.255 285 V HA -0.251 3.869 4.120 -0.000 0.000 0.243 285 V C 2.321 178.272 176.094 -0.237 0.000 1.038 285 V CA 2.728 64.804 62.300 -0.373 0.000 1.008 285 V CB -0.854 30.865 31.823 -0.173 0.000 0.645 285 V HN 0.386 nan 8.190 nan 0.000 0.449 286 M N 0.617 120.150 119.600 -0.112 0.000 2.143 286 M HA -0.223 4.257 4.480 -0.000 0.000 0.258 286 M C 2.338 178.594 176.300 -0.074 0.000 1.071 286 M CA 2.915 58.176 55.300 -0.065 0.000 1.088 286 M CB -0.885 31.702 32.600 -0.022 0.000 1.360 286 M HN 0.658 nan 8.290 nan 0.000 0.404 287 Q N -0.684 119.065 119.800 -0.085 0.000 2.002 287 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 287 Q C 2.229 178.168 176.000 -0.101 0.000 0.988 287 Q CA 3.039 58.803 55.803 -0.064 0.000 0.843 287 Q CB -1.966 26.757 28.738 -0.025 0.000 0.908 287 Q HN 0.870 nan 8.270 nan 0.000 0.420 288 S N -0.026 115.556 115.700 -0.196 0.000 2.423 288 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 288 S C 2.075 176.572 174.600 -0.172 0.000 1.014 288 S CA 1.201 59.278 58.200 -0.205 0.000 0.965 288 S CB -0.440 62.564 63.200 -0.327 0.000 0.785 288 S HN 0.616 nan 8.310 nan 0.000 0.495 289 I N 2.394 122.874 120.570 -0.151 0.000 2.252 289 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 289 I C 2.355 178.458 176.117 -0.022 0.000 1.102 289 I CA 1.097 62.346 61.300 -0.085 0.000 1.385 289 I CB -0.495 37.479 38.000 -0.043 0.000 1.064 289 I HN 0.339 nan 8.210 nan 0.000 0.414 290 N N 1.353 120.042 118.700 -0.020 0.000 2.135 290 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 290 N C 2.131 177.645 175.510 0.008 0.000 1.027 290 N CA 1.839 54.896 53.050 0.012 0.000 0.849 290 N CB -0.483 38.011 38.487 0.013 0.000 1.002 290 N HN 0.320 nan 8.380 nan 0.000 0.425 291 K N 1.447 121.837 120.400 -0.017 0.000 2.074 291 K HA -0.000 4.320 4.320 -0.000 0.000 0.209 291 K C 2.186 178.780 176.600 -0.011 0.000 1.048 291 K CA 1.708 57.985 56.287 -0.016 0.000 0.926 291 K CB -1.153 31.328 32.500 -0.032 0.000 0.713 291 K HN 0.330 nan 8.250 nan 0.000 0.444 292 A N 0.704 123.511 122.820 -0.022 0.000 1.897 292 A HA 0.365 4.685 4.320 -0.000 0.000 0.215 292 A C 2.796 180.411 177.584 0.051 0.000 1.181 292 A CA 1.791 53.829 52.037 0.002 0.000 0.620 292 A CB -0.799 18.174 19.000 -0.044 0.000 0.821 292 A HN 0.983 nan 8.150 nan 0.000 0.443 293 A N -0.003 122.856 122.820 0.064 0.000 2.024 293 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 293 A C 1.716 179.341 177.584 0.069 0.000 1.164 293 A CA 1.964 54.058 52.037 0.095 0.000 0.643 293 A CB -0.480 18.584 19.000 0.107 0.000 0.806 293 A HN 0.507 nan 8.150 nan 0.000 0.451 294 D N -0.506 119.916 120.400 0.036 0.000 2.107 294 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 294 D C 1.812 178.102 176.300 -0.018 0.000 0.978 294 D CA 1.138 55.138 54.000 -0.001 0.000 0.852 294 D CB -0.654 40.144 40.800 -0.004 0.000 1.008 294 D HN 0.310 nan 8.370 nan 0.000 0.458 295 L N 1.014 122.235 121.223 -0.003 0.000 2.357 295 L HA -0.175 4.165 4.340 -0.000 0.000 0.220 295 L C 2.183 179.055 176.870 0.003 0.000 1.123 295 L CA 1.200 56.038 54.840 -0.004 0.000 0.782 295 L CB -0.932 41.131 42.059 0.007 0.000 0.910 295 L HN 0.082 nan 8.230 nan 0.000 0.442 296 I N -1.476 119.106 120.570 0.020 0.000 2.244 296 I HA -0.207 3.963 4.170 -0.000 0.000 0.231 296 I C 2.328 178.443 176.117 -0.003 0.000 1.065 296 I CA 1.890 63.211 61.300 0.035 0.000 1.358 296 I CB -1.431 36.612 38.000 0.072 0.000 1.130 296 I HN 0.417 nan 8.210 nan 0.000 0.411 297 N N 0.647 119.329 118.700 -0.029 0.000 2.069 297 N HA -0.188 4.552 4.740 -0.000 0.000 0.196 297 N C 1.211 176.640 175.510 -0.135 0.000 1.024 297 N CA 1.773 54.754 53.050 -0.115 0.000 0.869 297 N CB -0.503 37.791 38.487 -0.323 0.000 1.035 297 N HN 0.566 nan 8.380 nan 0.000 0.434 298 L N 0.766 121.913 121.223 -0.126 0.000 2.650 298 L HA 0.304 4.644 4.340 -0.000 0.000 0.239 298 L C -0.140 176.686 176.870 -0.073 0.000 1.412 298 L CA -0.016 54.760 54.840 -0.107 0.000 1.219 298 L CB -0.887 41.115 42.059 -0.095 0.000 1.534 298 L HN 0.108 nan 8.230 nan 0.000 0.430 299 A N 0.957 123.737 122.820 -0.067 0.000 2.583 299 A HA 0.665 4.985 4.320 -0.000 0.000 0.292 299 A C -0.997 176.543 177.584 -0.073 0.000 1.045 299 A CA -0.911 51.086 52.037 -0.066 0.000 0.672 299 A CB 1.102 20.076 19.000 -0.044 0.000 1.283 299 A HN 0.216 nan 8.150 nan 0.000 0.419 303 V N 0.690 120.739 119.914 0.226 0.000 2.808 303 V HA 0.472 4.592 4.120 -0.000 0.000 0.308 303 V C -0.947 175.180 176.094 0.055 0.000 1.099 303 V CA -0.821 61.545 62.300 0.110 0.000 0.920 303 V CB 1.888 33.774 31.823 0.104 0.000 1.014 303 V HN 0.521 nan 8.190 nan 0.000 0.425 304 L N 6.571 127.782 121.223 -0.020 0.000 2.260 304 L HA 0.405 4.745 4.340 -0.000 0.000 0.289 304 L C -0.986 175.885 176.870 0.001 0.000 1.057 304 L CA -0.482 54.331 54.840 -0.046 0.000 0.811 304 L CB 0.896 42.861 42.059 -0.156 0.000 1.184 304 L HN 0.758 nan 8.230 nan 0.000 0.429 305 Y N 5.489 125.711 120.300 -0.129 0.000 2.841 305 Y HA 0.429 4.979 4.550 -0.000 0.000 0.329 305 Y C -0.644 175.133 175.900 -0.205 0.000 1.062 305 Y CA -0.975 57.024 58.100 -0.167 0.000 1.281 305 Y CB 0.957 39.307 38.460 -0.184 0.000 1.147 305 Y HN 0.271 nan 8.280 nan 0.000 0.521 306 V N 5.763 125.480 119.914 -0.329 0.000 2.539 306 V HA 0.945 5.065 4.120 -0.000 0.000 0.292 306 V C 0.119 175.954 176.094 -0.431 0.000 1.045 306 V CA 0.412 62.482 62.300 -0.384 0.000 0.945 306 V CB 0.964 32.642 31.823 -0.242 0.000 0.993 306 V HN 0.863 nan 8.190 nan 0.000 0.464 307 G N 3.401 111.950 108.800 -0.418 0.000 3.211 307 G HA2 0.594 4.554 3.960 -0.000 0.000 0.262 307 G HA3 0.594 4.554 3.960 -0.000 0.000 0.262 307 G C 0.787 175.554 174.900 -0.221 0.000 1.352 307 G CA -0.085 44.811 45.100 -0.340 0.000 1.004 307 G HN 1.273 nan 8.290 nan 0.000 0.559 308 A N -0.783 121.925 122.820 -0.187 0.000 1.986 308 A HA 0.036 4.356 4.320 -0.000 0.000 0.220 308 A C 2.540 180.054 177.584 -0.117 0.000 1.171 308 A CA 2.645 54.593 52.037 -0.149 0.000 0.640 308 A CB -1.134 17.784 19.000 -0.137 0.000 0.811 308 A HN 1.370 nan 8.150 nan 0.000 0.451 309 G N -0.165 108.569 108.800 -0.110 0.000 2.475 309 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 309 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 309 G C 1.384 176.259 174.900 -0.043 0.000 1.125 309 G CA 1.219 46.282 45.100 -0.062 0.000 0.755 309 G HN 0.520 nan 8.290 nan 0.000 0.565 310 I N 0.367 120.891 120.570 -0.075 0.000 2.614 310 I HA 0.071 4.241 4.170 -0.000 0.000 0.258 310 I C 2.118 178.229 176.117 -0.010 0.000 1.189 310 I CA 0.584 61.852 61.300 -0.054 0.000 1.462 310 I CB 0.035 37.979 38.000 -0.094 0.000 1.092 310 I HN 0.111 nan 8.210 nan 0.000 0.442 311 L N 0.129 121.325 121.223 -0.046 0.000 2.591 311 L HA 0.093 4.433 4.340 -0.000 0.000 0.228 311 L C 1.154 178.072 176.870 0.080 0.000 1.133 311 L CA 0.083 54.889 54.840 -0.058 0.000 0.880 311 L CB -0.585 41.291 42.059 -0.305 0.000 1.033 311 L HN 0.160 nan 8.230 nan 0.000 0.450 312 N N -0.657 118.091 118.700 0.081 0.000 2.370 312 N HA -0.012 4.728 4.740 -0.000 0.000 0.198 312 N C -0.287 175.317 175.510 0.157 0.000 1.156 312 N CA 0.349 53.467 53.050 0.114 0.000 0.839 312 N CB -0.010 38.521 38.487 0.072 0.000 0.989 312 N HN 0.339 nan 8.380 nan 0.000 0.468 313 H N -0.994 118.120 119.070 0.072 0.000 2.759 313 H HA 0.500 5.056 4.556 -0.000 0.000 0.354 313 H C 0.621 175.994 175.328 0.075 0.000 1.074 313 H CA -0.433 55.650 56.048 0.057 0.000 1.226 313 H CB 1.457 31.240 29.762 0.035 0.000 1.648 313 H HN -0.074 nan 8.280 nan 0.000 0.529 314 A N 2.819 125.493 122.820 -0.244 0.000 1.892 314 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 314 A C 1.227 178.845 177.584 0.056 0.000 1.188 314 A CA 1.962 53.948 52.037 -0.085 0.000 0.631 314 A CB -0.223 18.680 19.000 -0.160 0.000 0.822 314 A HN 0.848 nan 8.150 nan 0.000 0.447 315 D N -0.433 120.060 120.400 0.155 0.000 2.434 315 D HA 0.185 4.825 4.640 -0.000 0.000 0.232 315 D C 1.492 177.924 176.300 0.220 0.000 1.166 315 D CA 0.723 54.844 54.000 0.203 0.000 0.830 315 D CB -0.090 40.833 40.800 0.204 0.000 0.960 315 D HN 0.448 nan 8.370 nan 0.000 0.497 316 G N 2.608 111.540 108.800 0.221 0.000 2.454 316 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.214 316 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.214 316 G C -0.372 174.564 174.900 0.061 0.000 1.217 316 G CA 0.283 45.460 45.100 0.128 0.000 0.799 316 G HN 0.255 nan 8.290 nan 0.000 0.538 317 P HA -0.129 nan 4.420 nan 0.000 0.218 317 P C 1.672 179.022 177.300 0.083 0.000 1.149 317 P CA 0.982 64.128 63.100 0.076 0.000 0.817 317 P CB -0.082 31.682 31.700 0.107 0.000 0.785 318 R N 0.388 120.938 120.500 0.084 0.000 2.096 318 R HA -0.102 4.238 4.340 -0.000 0.000 0.240 318 R C 2.443 178.773 176.300 0.050 0.000 1.139 318 R CA 1.486 57.631 56.100 0.075 0.000 0.952 318 R CB -0.786 29.556 30.300 0.071 0.000 0.854 318 R HN 0.189 nan 8.270 nan 0.000 0.436 319 L N 0.895 122.134 121.223 0.027 0.000 2.376 319 L HA -0.117 4.223 4.340 -0.000 0.000 0.219 319 L C 2.300 179.143 176.870 -0.045 0.000 1.133 319 L CA 0.035 54.870 54.840 -0.009 0.000 0.816 319 L CB -0.265 41.776 42.059 -0.030 0.000 0.933 319 L HN 0.265 nan 8.230 nan 0.000 0.449 320 L N 0.181 121.377 121.223 -0.045 0.000 2.109 320 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 320 L C 2.453 179.255 176.870 -0.114 0.000 1.086 320 L CA 1.730 56.503 54.840 -0.112 0.000 0.760 320 L CB -0.489 41.504 42.059 -0.110 0.000 0.910 320 L HN 0.100 nan 8.230 nan 0.000 0.437 321 K N -0.426 119.982 120.400 0.013 0.000 2.031 321 K HA -0.230 4.090 4.320 -0.000 0.000 0.205 321 K C 2.130 178.758 176.600 0.046 0.000 1.049 321 K CA 1.526 57.873 56.287 0.099 0.000 0.939 321 K CB -0.152 32.472 32.500 0.207 0.000 0.717 321 K HN 0.478 nan 8.250 nan 0.000 0.438 322 E N 0.498 120.717 120.200 0.032 0.000 2.097 322 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 322 E C 1.895 178.498 176.600 0.005 0.000 1.000 322 E CA 1.208 57.622 56.400 0.024 0.000 0.804 322 E CB -0.064 29.646 29.700 0.016 0.000 0.740 322 E HN 0.240 nan 8.360 nan 0.000 0.454 323 L N 0.205 121.409 121.223 -0.032 0.000 2.376 323 L HA -0.009 4.331 4.340 -0.000 0.000 0.219 323 L C 2.086 178.930 176.870 -0.044 0.000 1.133 323 L CA 1.516 56.329 54.840 -0.044 0.000 0.816 323 L CB -0.145 41.857 42.059 -0.096 0.000 0.933 323 L HN 0.056 nan 8.230 nan 0.000 0.449 324 S N -1.589 114.074 115.700 -0.062 0.000 2.456 324 S HA -0.042 4.428 4.470 -0.000 0.000 0.224 324 S C 1.516 176.141 174.600 0.042 0.000 1.035 324 S CA 0.509 58.672 58.200 -0.061 0.000 0.940 324 S CB -0.147 62.933 63.200 -0.200 0.000 0.799 324 S HN 0.509 nan 8.310 nan 0.000 0.508 325 D N 1.812 122.249 120.400 0.061 0.000 2.085 325 D HA -0.012 4.628 4.640 -0.000 0.000 0.199 325 D C 2.680 179.028 176.300 0.080 0.000 0.981 325 D CA 1.523 55.576 54.000 0.088 0.000 0.834 325 D CB -0.896 39.952 40.800 0.080 0.000 0.992 325 D HN 0.433 nan 8.370 nan 0.000 0.457 326 R N 1.363 121.900 120.500 0.063 0.000 2.154 326 R HA -0.070 4.270 4.340 -0.000 0.000 0.236 326 R C 2.164 178.517 176.300 0.089 0.000 1.121 326 R CA 2.428 58.568 56.100 0.067 0.000 0.915 326 R CB -1.712 28.622 30.300 0.057 0.000 0.856 326 R HN 0.320 nan 8.270 nan 0.000 0.431 327 A N -0.435 122.441 122.820 0.093 0.000 2.337 327 A HA 0.285 4.605 4.320 -0.000 0.000 0.227 327 A C 0.124 177.795 177.584 0.145 0.000 1.259 327 A CA 0.326 52.431 52.037 0.114 0.000 0.870 327 A CB 0.149 19.212 19.000 0.106 0.000 0.927 327 A HN 0.572 nan 8.150 nan 0.000 0.497 328 Q N -0.319 119.572 119.800 0.153 0.000 2.420 328 Q HA -0.184 4.156 4.340 -0.000 0.000 0.367 328 Q C -0.738 175.404 176.000 0.237 0.000 1.369 328 Q CA 1.184 57.129 55.803 0.237 0.000 1.080 328 Q CB -1.600 27.314 28.738 0.294 0.000 1.223 328 Q HN 0.740 nan 8.270 nan 0.000 0.315 329 I N 1.698 122.336 120.570 0.113 0.000 2.509 329 I HA 0.370 4.540 4.170 -0.000 0.000 0.293 329 I C -2.179 173.873 176.117 -0.109 0.000 1.020 329 I CA -2.515 58.808 61.300 0.038 0.000 1.088 329 I CB 2.137 40.151 38.000 0.023 0.000 1.267 329 I HN -0.015 nan 8.210 nan 0.000 0.430 330 P HA 0.125 nan 4.420 nan 0.000 0.271 330 P C -0.832 176.336 177.300 -0.221 0.000 1.220 330 P CA -0.116 62.791 63.100 -0.322 0.000 0.768 330 P CB 0.739 32.111 31.700 -0.548 0.000 0.848 331 V N 3.646 123.440 119.914 -0.200 0.000 2.370 331 V HA 0.485 4.605 4.120 -0.000 0.000 0.283 331 V C 0.434 176.494 176.094 -0.057 0.000 1.023 331 V CA -0.169 61.998 62.300 -0.221 0.000 0.857 331 V CB 1.525 32.976 31.823 -0.620 0.000 0.985 331 V HN 0.481 nan 8.190 nan 0.000 0.443 332 T N 3.414 117.942 114.554 -0.043 0.000 2.863 332 T HA 0.727 5.077 4.350 -0.000 0.000 0.285 332 T C -0.240 174.475 174.700 0.026 0.000 1.009 332 T CA -0.200 61.907 62.100 0.012 0.000 0.989 332 T CB 1.564 70.439 68.868 0.011 0.000 1.004 332 T HN 0.937 nan 8.240 nan 0.000 0.455 333 T N 0.753 115.324 114.554 0.028 0.000 2.924 333 T HA 0.713 5.063 4.350 -0.000 0.000 0.291 333 T C 0.581 175.278 174.700 -0.005 0.000 1.045 333 T CA -0.690 61.398 62.100 -0.019 0.000 1.015 333 T CB 1.272 70.124 68.868 -0.026 0.000 1.103 333 T HN 0.784 nan 8.240 nan 0.000 0.496 334 T N 0.002 114.522 114.554 -0.058 0.000 2.770 334 T HA 0.325 4.675 4.350 -0.000 0.000 0.281 334 T C 1.399 176.068 174.700 -0.052 0.000 0.981 334 T CA -0.622 61.460 62.100 -0.030 0.000 0.955 334 T CB 0.383 69.200 68.868 -0.085 0.000 1.060 334 T HN 0.559 nan 8.240 nan 0.000 0.531 335 L N 0.493 121.693 121.223 -0.039 0.000 2.012 335 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 335 L C 2.519 179.371 176.870 -0.030 0.000 1.073 335 L CA 1.760 56.592 54.840 -0.013 0.000 0.748 335 L CB -0.892 41.164 42.059 -0.005 0.000 0.891 335 L HN 0.595 nan 8.230 nan 0.000 0.431 336 Q N -0.356 119.389 119.800 -0.092 0.000 2.515 336 Q HA 0.047 4.387 4.340 -0.000 0.000 0.212 336 Q C 1.815 177.732 176.000 -0.138 0.000 0.970 336 Q CA 0.946 56.670 55.803 -0.131 0.000 0.941 336 Q CB -0.199 28.448 28.738 -0.150 0.000 0.998 336 Q HN 0.685 nan 8.270 nan 0.000 0.518 337 G N -0.252 108.470 108.800 -0.130 0.000 2.796 337 G HA2 0.121 4.081 3.960 -0.000 0.000 0.210 337 G HA3 0.121 4.081 3.960 -0.000 0.000 0.210 337 G C 0.605 175.433 174.900 -0.120 0.000 1.146 337 G CA -0.377 44.643 45.100 -0.134 0.000 0.779 337 G HN 0.184 nan 8.290 nan 0.000 0.535 338 L N 0.917 122.040 121.223 -0.167 0.000 2.640 338 L HA 0.231 4.571 4.340 -0.000 0.000 0.280 338 L C 1.667 178.409 176.870 -0.213 0.000 1.229 338 L CA 1.307 55.966 54.840 -0.301 0.000 0.919 338 L CB 0.297 41.858 42.059 -0.831 0.000 1.168 338 L HN 0.376 nan 8.230 nan 0.000 0.496 339 G N 1.423 110.218 108.800 -0.009 0.000 2.213 339 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.236 339 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.236 339 G C 0.982 175.934 174.900 0.088 0.000 0.991 339 G CA 0.470 45.635 45.100 0.108 0.000 0.629 339 G HN 0.728 nan 8.290 nan 0.000 0.517 340 S N -1.206 114.526 115.700 0.054 0.000 2.461 340 S HA 0.481 4.951 4.470 -0.000 0.000 0.228 340 S C 0.490 175.212 174.600 0.202 0.000 1.005 340 S CA 1.044 59.287 58.200 0.072 0.000 0.942 340 S CB 0.194 63.396 63.200 0.003 0.000 0.776 340 S HN 1.187 nan 8.310 nan 0.000 0.514 341 F N 2.343 122.301 119.950 0.013 0.000 2.562 341 F HA 0.472 4.999 4.527 -0.000 0.000 0.319 341 F C -1.016 174.815 175.800 0.052 0.000 1.154 341 F CA -2.054 55.959 58.000 0.021 0.000 0.931 341 F CB 1.638 40.635 39.000 -0.005 0.000 1.198 341 F HN -0.053 nan 8.300 nan 0.000 0.444 342 D N 4.258 124.386 120.400 -0.454 0.000 2.451 342 D HA 0.008 4.648 4.640 -0.000 0.000 0.254 342 D C 0.682 176.675 176.300 -0.512 0.000 1.204 342 D CA 0.753 54.524 54.000 -0.381 0.000 0.896 342 D CB 0.928 41.542 40.800 -0.311 0.000 1.136 342 D HN 0.696 nan 8.370 nan 0.000 0.499 343 Q N 2.503 122.175 119.800 -0.212 0.000 2.515 343 Q HA -0.065 4.275 4.340 -0.000 0.000 0.214 343 Q C 0.867 176.779 176.000 -0.147 0.000 0.971 343 Q CA 0.414 56.133 55.803 -0.141 0.000 0.952 343 Q CB 0.397 29.126 28.738 -0.016 0.000 0.999 343 Q HN 0.597 nan 8.270 nan 0.000 0.524 344 E N 0.913 121.004 120.200 -0.182 0.000 2.086 344 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 344 E C 0.563 177.090 176.600 -0.122 0.000 0.975 344 E CA 0.285 56.606 56.400 -0.131 0.000 0.813 344 E CB -0.059 29.571 29.700 -0.117 0.000 0.768 344 E HN 0.329 nan 8.360 nan 0.000 0.457 345 D N 2.210 122.492 120.400 -0.197 0.000 2.525 345 D HA -0.067 4.573 4.640 -0.000 0.000 0.235 345 D C -1.399 174.888 176.300 -0.022 0.000 1.137 345 D CA -1.027 52.901 54.000 -0.119 0.000 0.868 345 D CB 1.343 42.009 40.800 -0.224 0.000 1.180 345 D HN -0.089 nan 8.370 nan 0.000 0.465 346 P HA -0.123 nan 4.420 nan 0.000 0.225 346 P C 0.457 177.820 177.300 0.105 0.000 1.148 346 P CA 0.995 64.153 63.100 0.097 0.000 0.779 346 P CB 0.230 32.023 31.700 0.154 0.000 0.780 347 K N -0.413 120.079 120.400 0.153 0.000 2.444 347 K HA 0.146 4.466 4.320 -0.000 0.000 0.193 347 K C 0.497 177.172 176.600 0.124 0.000 1.024 347 K CA -0.015 56.321 56.287 0.082 0.000 1.077 347 K CB 0.086 32.692 32.500 0.176 0.000 0.833 347 K HN 0.005 nan 8.250 nan 0.000 0.517 348 S N 1.499 117.303 115.700 0.174 0.000 2.455 348 S HA 0.158 4.628 4.470 -0.000 0.000 0.278 348 S C 0.892 175.510 174.600 0.031 0.000 1.216 348 S CA -0.239 58.069 58.200 0.180 0.000 1.055 348 S CB 0.531 63.779 63.200 0.081 0.000 0.939 348 S HN 0.224 nan 8.310 nan 0.000 0.494 349 L N 2.249 123.474 121.223 0.003 0.000 2.592 349 L HA 0.129 4.469 4.340 -0.000 0.000 0.227 349 L C 0.284 177.146 176.870 -0.014 0.000 1.127 349 L CA -0.010 54.795 54.840 -0.058 0.000 0.884 349 L CB -0.625 41.368 42.059 -0.110 0.000 1.065 349 L HN 0.568 nan 8.230 nan 0.000 0.457 350 D N -0.835 119.586 120.400 0.036 0.000 3.455 350 D HA -0.291 4.349 4.640 -0.000 0.000 0.216 350 D C 0.048 176.372 176.300 0.041 0.000 1.510 350 D CA 1.292 55.323 54.000 0.053 0.000 1.128 350 D CB -0.348 40.474 40.800 0.036 0.000 0.680 350 D HN 0.016 nan 8.370 nan 0.000 0.828 351 M N 0.472 120.093 119.600 0.035 0.000 2.233 351 M HA 0.430 4.910 4.480 -0.000 0.000 0.350 351 M C -0.360 175.946 176.300 0.010 0.000 1.176 351 M CA -0.415 54.898 55.300 0.022 0.000 1.150 351 M CB 0.679 33.291 32.600 0.020 0.000 1.530 351 M HN 0.412 nan 8.290 nan 0.000 0.459 352 L N 3.349 124.582 121.223 0.017 0.000 2.492 352 L HA 0.929 5.269 4.340 -0.000 0.000 0.263 352 L C 0.194 177.061 176.870 -0.004 0.000 1.062 352 L CA 0.732 55.571 54.840 -0.001 0.000 0.817 352 L CB 1.592 43.662 42.059 0.018 0.000 1.441 352 L HN 0.888 nan 8.230 nan 0.000 0.493 353 G N 0.022 108.805 108.800 -0.029 0.000 2.710 353 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.668 353 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.668 353 G C 0.217 175.105 174.900 -0.020 0.000 1.320 353 G CA 0.078 45.160 45.100 -0.031 0.000 0.860 353 G HN 1.089 nan 8.290 nan 0.000 0.538 354 M N -1.606 117.976 119.600 -0.031 0.000 2.132 354 M HA 0.116 4.596 4.480 -0.000 0.000 0.263 354 M C 1.754 178.130 176.300 0.126 0.000 1.065 354 M CA 2.298 57.604 55.300 0.011 0.000 1.122 354 M CB -0.212 32.373 32.600 -0.024 0.000 1.365 354 M HN 0.588 nan 8.290 nan 0.000 0.411 355 H N 1.070 120.122 119.070 -0.029 0.000 2.555 355 H HA 0.317 4.873 4.556 -0.000 0.000 0.283 355 H C 0.972 176.288 175.328 -0.020 0.000 1.037 355 H CA -0.547 55.487 56.048 -0.025 0.000 1.169 355 H CB 0.012 29.749 29.762 -0.041 0.000 1.375 355 H HN 0.548 nan 8.280 nan 0.000 0.582 356 G N -0.171 108.681 108.800 0.086 0.000 2.532 356 G HA2 0.146 4.106 3.960 -0.000 0.000 0.291 356 G HA3 0.146 4.106 3.960 -0.000 0.000 0.291 356 G C -0.635 174.269 174.900 0.008 0.000 1.349 356 G CA -0.571 44.550 45.100 0.034 0.000 1.038 356 G HN 0.303 nan 8.290 nan 0.000 0.518 357 C N 0.515 119.809 119.300 -0.010 0.000 2.629 357 C HA 0.445 4.905 4.460 -0.000 0.000 0.410 357 C C 2.123 177.069 174.990 -0.073 0.000 1.339 357 C CA 0.132 59.133 59.018 -0.028 0.000 1.810 357 C CB -0.377 27.349 27.740 -0.023 0.000 2.549 357 C HN 0.832 nan 8.230 nan 0.000 0.589 358 A N 4.622 127.370 122.820 -0.120 0.000 1.978 358 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 358 A C 2.150 179.582 177.584 -0.254 0.000 1.170 358 A CA 2.617 54.516 52.037 -0.230 0.000 0.636 358 A CB -0.925 17.811 19.000 -0.441 0.000 0.810 358 A HN 0.934 nan 8.150 nan 0.000 0.448 359 T N 0.347 114.769 114.554 -0.220 0.000 2.665 359 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 359 T C 2.230 176.847 174.700 -0.140 0.000 1.035 359 T CA 1.848 63.845 62.100 -0.172 0.000 1.151 359 T CB -0.527 68.275 68.868 -0.110 0.000 0.862 359 T HN 0.654 nan 8.240 nan 0.000 0.438 360 A N 2.603 125.355 122.820 -0.114 0.000 1.865 360 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 360 A C 2.259 179.786 177.584 -0.094 0.000 1.191 360 A CA 1.671 53.648 52.037 -0.099 0.000 0.623 360 A CB -0.809 18.151 19.000 -0.067 0.000 0.826 360 A HN 0.447 nan 8.150 nan 0.000 0.444 361 N N 0.110 118.754 118.700 -0.093 0.000 2.132 361 N HA -0.162 4.578 4.740 -0.000 0.000 0.191 361 N C 1.706 177.172 175.510 -0.072 0.000 1.015 361 N CA 1.648 54.647 53.050 -0.084 0.000 0.864 361 N CB -0.456 37.983 38.487 -0.081 0.000 1.006 361 N HN 0.542 nan 8.380 nan 0.000 0.430 362 L N 0.659 121.832 121.223 -0.083 0.000 2.023 362 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 362 L C 2.525 179.388 176.870 -0.011 0.000 1.073 362 L CA 0.891 55.701 54.840 -0.050 0.000 0.745 362 L CB -0.605 41.413 42.059 -0.069 0.000 0.900 362 L HN 0.068 nan 8.230 nan 0.000 0.435 363 A N 0.131 122.922 122.820 -0.049 0.000 2.032 363 A HA -0.168 4.152 4.320 -0.000 0.000 0.221 363 A C 2.199 179.806 177.584 0.038 0.000 1.165 363 A CA 1.940 53.950 52.037 -0.045 0.000 0.645 363 A CB -1.189 17.687 19.000 -0.206 0.000 0.807 363 A HN 0.343 nan 8.150 nan 0.000 0.453 364 V N -2.064 117.846 119.914 -0.008 0.000 3.380 364 V HA -0.084 4.036 4.120 -0.000 0.000 0.268 364 V C 2.133 178.239 176.094 0.020 0.000 1.168 364 V CA 1.922 64.217 62.300 -0.009 0.000 1.156 364 V CB -0.311 31.464 31.823 -0.080 0.000 0.785 364 V HN 0.476 nan 8.190 nan 0.000 0.487 365 Q N -0.262 119.562 119.800 0.039 0.000 2.462 365 Q HA 0.071 4.411 4.340 -0.000 0.000 0.224 365 Q C 1.942 177.986 176.000 0.075 0.000 0.911 365 Q CA 1.222 57.047 55.803 0.038 0.000 0.925 365 Q CB -0.595 28.153 28.738 0.017 0.000 1.063 365 Q HN 0.850 nan 8.270 nan 0.000 0.572 366 N N 1.057 119.842 118.700 0.142 0.000 2.501 366 N HA 0.338 5.078 4.740 -0.000 0.000 0.195 366 N C 0.468 176.122 175.510 0.240 0.000 1.213 366 N CA 0.670 53.839 53.050 0.198 0.000 0.864 366 N CB 0.050 38.724 38.487 0.311 0.000 0.999 366 N HN 0.278 nan 8.380 nan 0.000 0.454 367 A N 0.633 123.591 122.820 0.230 0.000 2.312 367 A HA 0.498 4.818 4.320 -0.000 0.000 0.326 367 A C 0.787 178.388 177.584 0.028 0.000 1.172 367 A CA -0.126 52.031 52.037 0.201 0.000 0.821 367 A CB 0.713 19.907 19.000 0.324 0.000 1.166 367 A HN 0.431 nan 8.150 nan 0.000 0.493 368 D N 1.198 121.563 120.400 -0.059 0.000 2.249 368 D HA 0.021 4.661 4.640 -0.000 0.000 0.205 368 D C 0.141 176.436 176.300 -0.009 0.000 0.962 368 D CA 0.544 54.508 54.000 -0.061 0.000 0.860 368 D CB 0.109 40.837 40.800 -0.119 0.000 0.955 368 D HN 0.284 nan 8.370 nan 0.000 0.505 369 L N 0.669 121.910 121.223 0.030 0.000 2.476 369 L HA 0.417 4.757 4.340 -0.000 0.000 0.269 369 L C -1.503 175.425 176.870 0.096 0.000 0.965 369 L CA -0.699 54.174 54.840 0.055 0.000 0.845 369 L CB 2.197 44.285 42.059 0.048 0.000 1.259 369 L HN -0.140 nan 8.230 nan 0.000 0.403 370 I N 6.319 126.950 120.570 0.102 0.000 2.304 370 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 370 I C -0.269 175.947 176.117 0.165 0.000 1.018 370 I CA -0.293 61.086 61.300 0.131 0.000 1.260 370 I CB 1.127 39.207 38.000 0.134 0.000 1.390 370 I HN 0.510 nan 8.210 nan 0.000 0.475 371 I N 6.914 127.576 120.570 0.154 0.000 2.268 371 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 371 I C 0.736 176.938 176.117 0.142 0.000 1.125 371 I CA -0.329 61.069 61.300 0.163 0.000 1.236 371 I CB 0.592 38.656 38.000 0.107 0.000 1.469 371 I HN 0.577 nan 8.210 nan 0.000 0.512 372 A N 6.342 129.270 122.820 0.180 0.000 2.444 372 A HA 0.444 4.764 4.320 -0.000 0.000 0.273 372 A C 0.016 177.564 177.584 -0.060 0.000 1.136 372 A CA -0.052 51.981 52.037 -0.006 0.000 0.799 372 A CB 0.021 18.951 19.000 -0.117 0.000 1.081 372 A HN 0.469 nan 8.150 nan 0.000 0.509 373 V N 2.751 122.530 119.914 -0.225 0.000 2.325 373 V HA 0.579 4.699 4.120 -0.000 0.000 0.280 373 V C 1.028 176.987 176.094 -0.225 0.000 1.016 373 V CA 0.271 62.469 62.300 -0.169 0.000 0.818 373 V CB 0.520 32.182 31.823 -0.269 0.000 1.019 373 V HN 1.823 nan 8.190 nan 0.000 0.434 374 G N 3.750 112.493 108.800 -0.096 0.000 2.273 374 G HA2 0.071 4.031 3.960 -0.000 0.000 0.280 374 G HA3 0.071 4.031 3.960 -0.000 0.000 0.280 374 G C 0.131 174.896 174.900 -0.226 0.000 1.047 374 G CA 0.512 45.548 45.100 -0.106 0.000 0.869 374 G HN 1.514 nan 8.290 nan 0.000 0.502 375 A N -0.610 122.013 122.820 -0.329 0.000 2.435 375 A HA 0.976 5.296 4.320 -0.000 0.000 0.296 375 A C 0.697 178.142 177.584 -0.231 0.000 1.147 375 A CA -0.092 51.659 52.037 -0.477 0.000 0.775 375 A CB 0.983 19.277 19.000 -1.177 0.000 1.340 375 A HN 1.254 nan 8.150 nan 0.000 0.427 376 R N -0.226 120.197 120.500 -0.129 0.000 2.659 376 R HA 0.413 4.753 4.340 -0.000 0.000 0.418 376 R C -1.358 175.106 176.300 0.273 0.000 1.076 376 R CA -0.265 55.915 56.100 0.133 0.000 1.093 376 R CB -0.617 29.738 30.300 0.092 0.000 1.400 376 R HN 0.514 nan 8.270 nan 0.000 0.583 377 F N 1.408 121.480 119.950 0.202 0.000 2.346 377 F HA -0.269 4.258 4.527 -0.000 0.000 0.178 377 F C 0.250 176.094 175.800 0.072 0.000 1.026 377 F CA 0.917 59.012 58.000 0.158 0.000 0.831 377 F CB -1.287 37.774 39.000 0.101 0.000 0.804 377 F HN 0.391 nan 8.300 nan 0.000 0.815 378 D N 2.119 122.611 120.400 0.153 0.000 2.372 378 D HA 0.038 4.678 4.640 -0.000 0.000 0.243 378 D C 1.359 177.696 176.300 0.062 0.000 1.121 378 D CA 0.146 54.193 54.000 0.078 0.000 0.898 378 D CB 0.690 41.501 40.800 0.019 0.000 1.202 378 D HN 0.465 nan 8.370 nan 0.000 0.428 379 D N 2.649 123.069 120.400 0.035 0.000 2.309 379 D HA -0.217 4.423 4.640 -0.000 0.000 0.212 379 D C 1.476 177.768 176.300 -0.014 0.000 0.968 379 D CA 0.495 54.503 54.000 0.014 0.000 0.882 379 D CB 0.095 40.897 40.800 0.003 0.000 0.918 379 D HN 0.209 nan 8.370 nan 0.000 0.503 380 R N 0.316 120.798 120.500 -0.031 0.000 2.276 380 R HA 0.085 4.425 4.340 -0.000 0.000 0.203 380 R C 1.675 177.938 176.300 -0.062 0.000 1.017 380 R CA 0.399 56.456 56.100 -0.072 0.000 1.010 380 R CB -0.101 30.137 30.300 -0.103 0.000 0.900 380 R HN 0.118 nan 8.270 nan 0.000 0.469 381 V N -0.971 118.928 119.914 -0.025 0.000 3.565 381 V HA 0.138 4.258 4.120 -0.000 0.000 0.260 381 V C 0.160 176.233 176.094 -0.035 0.000 1.231 381 V CA 1.151 63.435 62.300 -0.027 0.000 1.100 381 V CB 0.558 32.383 31.823 0.004 0.000 0.807 381 V HN 0.440 nan 8.190 nan 0.000 0.454 382 T N -2.552 111.996 114.554 -0.009 0.000 3.223 382 T HA 0.413 4.763 4.350 -0.000 0.000 0.334 382 T C 0.920 175.616 174.700 -0.008 0.000 0.940 382 T CA 0.207 62.302 62.100 -0.009 0.000 1.272 382 T CB 0.744 69.624 68.868 0.019 0.000 0.982 382 T HN 0.149 nan 8.240 nan 0.000 0.512 383 G N 1.977 110.766 108.800 -0.018 0.000 2.414 383 G HA2 0.028 3.988 3.960 -0.000 0.000 0.215 383 G HA3 0.028 3.988 3.960 -0.000 0.000 0.215 383 G C 1.070 175.962 174.900 -0.013 0.000 1.188 383 G CA 0.469 45.559 45.100 -0.017 0.000 0.783 383 G HN 1.016 nan 8.290 nan 0.000 0.537 384 N N 0.574 119.264 118.700 -0.015 0.000 3.178 384 N HA 0.471 5.211 4.740 -0.000 0.000 0.300 384 N C 1.721 177.220 175.510 -0.018 0.000 1.242 384 N CA 0.665 53.706 53.050 -0.015 0.000 1.192 384 N CB -0.773 37.705 38.487 -0.014 0.000 1.463 384 N HN 0.716 nan 8.380 nan 0.000 0.539 385 I N 0.091 120.650 120.570 -0.017 0.000 2.181 385 I HA -0.320 3.850 4.170 -0.000 0.000 0.247 385 I C 2.814 178.911 176.117 -0.032 0.000 1.081 385 I CA 2.969 64.254 61.300 -0.024 0.000 1.340 385 I CB -1.486 36.500 38.000 -0.022 0.000 1.036 385 I HN 0.828 nan 8.210 nan 0.000 0.417 386 S N 0.551 116.236 115.700 -0.025 0.000 2.383 386 S HA -0.027 4.443 4.470 -0.000 0.000 0.227 386 S C 2.084 176.670 174.600 -0.024 0.000 1.026 386 S CA 1.563 59.748 58.200 -0.025 0.000 0.981 386 S CB -0.787 62.402 63.200 -0.018 0.000 0.818 386 S HN 1.269 nan 8.310 nan 0.000 0.472 387 K N 0.728 121.116 120.400 -0.021 0.000 2.469 387 K HA 0.551 4.871 4.320 -0.000 0.000 0.201 387 K C 0.302 176.889 176.600 -0.022 0.000 1.028 387 K CA 0.164 56.440 56.287 -0.018 0.000 1.170 387 K CB -1.659 30.833 32.500 -0.014 0.000 0.874 387 K HN 0.659 nan 8.250 nan 0.000 0.507 388 F N 0.148 120.081 119.950 -0.029 0.000 2.410 388 F HA 0.643 5.170 4.527 -0.000 0.000 0.348 388 F C 1.175 176.956 175.800 -0.032 0.000 1.106 388 F CA -1.485 56.495 58.000 -0.033 0.000 1.163 388 F CB -0.335 38.642 39.000 -0.038 0.000 1.129 388 F HN 1.215 nan 8.300 nan 0.000 0.516 389 A N 3.922 126.728 122.820 -0.024 0.000 1.848 389 A HA -0.000 4.320 4.320 -0.000 0.000 0.241 389 A C -1.501 176.076 177.584 -0.012 0.000 1.341 389 A CA 0.280 52.310 52.037 -0.013 0.000 0.706 389 A CB -1.527 17.465 19.000 -0.012 0.000 1.189 389 A HN 0.938 nan 8.150 nan 0.000 0.259 390 P HA 0.044 nan 4.420 nan 0.000 0.212 390 P C 1.429 178.723 177.300 -0.011 0.000 1.171 390 P CA 1.787 64.882 63.100 -0.009 0.000 0.892 390 P CB -0.027 31.670 31.700 -0.004 0.000 0.769 391 E N 0.444 120.639 120.200 -0.008 0.000 2.267 391 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 391 E C 2.060 178.646 176.600 -0.022 0.000 0.998 391 E CA 1.637 58.024 56.400 -0.022 0.000 0.830 391 E CB -1.478 28.203 29.700 -0.032 0.000 0.751 391 E HN 0.385 nan 8.360 nan 0.000 0.491 392 A N -0.393 122.424 122.820 -0.006 0.000 2.178 392 A HA 0.245 4.565 4.320 -0.000 0.000 0.211 392 A C 1.902 179.482 177.584 -0.008 0.000 1.157 392 A CA 0.561 52.599 52.037 0.000 0.000 0.780 392 A CB 0.049 19.062 19.000 0.021 0.000 0.828 392 A HN 0.252 nan 8.150 nan 0.000 0.476 393 R N -0.152 120.339 120.500 -0.014 0.000 3.570 393 R HA 0.471 4.811 4.340 -0.000 0.000 0.233 393 R C 0.681 176.969 176.300 -0.020 0.000 1.492 393 R CA 0.806 56.895 56.100 -0.019 0.000 1.504 393 R CB -0.311 29.975 30.300 -0.023 0.000 1.314 393 R HN 0.464 nan 8.270 nan 0.000 0.687 394 R N 0.297 120.785 120.500 -0.020 0.000 5.478 394 R HA 0.130 4.470 4.340 -0.000 0.000 0.044 394 R C 0.370 176.657 176.300 -0.022 0.000 0.780 394 R CA 0.240 56.327 56.100 -0.021 0.000 1.597 394 R CB -0.791 29.494 30.300 -0.024 0.000 1.136 394 R HN 0.237 nan 8.270 nan 0.000 0.421 395 A N 1.717 124.521 122.820 -0.026 0.000 2.426 395 A HA 0.686 5.006 4.320 -0.000 0.000 0.247 395 A C 1.286 178.857 177.584 -0.021 0.000 1.389 395 A CA 1.392 53.413 52.037 -0.027 0.000 1.129 395 A CB -1.999 16.979 19.000 -0.037 0.000 0.928 395 A HN 2.571 nan 8.150 nan 0.000 0.557 404 I N 3.141 123.800 120.570 0.148 0.000 2.696 404 I HA 0.155 4.325 4.170 -0.000 0.000 0.284 404 I C 0.289 176.563 176.117 0.262 0.000 1.129 404 I CA 0.242 61.641 61.300 0.165 0.000 1.410 404 I CB 0.414 38.535 38.000 0.202 0.000 1.399 404 I HN 0.396 nan 8.210 nan 0.000 0.579 405 H N 6.361 125.494 119.070 0.105 0.000 3.013 405 H HA 0.334 4.890 4.556 -0.000 0.000 0.326 405 H C -1.414 173.941 175.328 0.045 0.000 0.973 405 H CA -0.995 55.155 56.048 0.170 0.000 1.369 405 H CB 0.914 30.773 29.762 0.162 0.000 1.598 405 H HN 0.294 nan 8.280 nan 0.000 0.518 406 F N 3.759 123.896 119.950 0.311 0.000 2.425 406 F HA 0.177 4.704 4.527 -0.000 0.000 0.354 406 F C 0.734 176.652 175.800 0.196 0.000 1.162 406 F CA -0.425 57.671 58.000 0.160 0.000 1.250 406 F CB 0.396 39.424 39.000 0.046 0.000 1.579 406 F HN 0.472 nan 8.300 nan 0.000 0.589 407 E N 0.990 121.319 120.200 0.215 0.000 2.227 407 E HA 0.394 4.744 4.350 -0.000 0.000 0.268 407 E C 0.023 176.639 176.600 0.026 0.000 0.990 407 E CA -0.414 56.036 56.400 0.083 0.000 0.856 407 E CB 1.945 31.510 29.700 -0.226 0.000 1.159 407 E HN 0.191 nan 8.360 nan 0.000 0.401 408 V N 1.492 121.421 119.914 0.024 0.000 3.085 408 V HA 0.245 4.364 4.120 -0.000 0.000 0.245 408 V C -0.116 175.977 176.094 -0.002 0.000 1.114 408 V CA 0.724 63.033 62.300 0.015 0.000 1.108 408 V CB 0.425 32.262 31.823 0.023 0.000 0.798 408 V HN 0.566 nan 8.190 nan 0.000 0.471 409 S N 1.983 117.675 115.700 -0.013 0.000 2.423 409 S HA 0.387 4.857 4.470 -0.000 0.000 0.317 409 S C -1.898 172.682 174.600 -0.032 0.000 1.065 409 S CA -0.719 57.470 58.200 -0.017 0.000 1.111 409 S CB 1.460 64.650 63.200 -0.017 0.000 0.968 409 S HN 0.307 nan 8.310 nan 0.000 0.474 410 P HA -0.153 nan 4.420 nan 0.000 0.218 410 P C 1.595 178.878 177.300 -0.028 0.000 1.146 410 P CA 1.170 64.252 63.100 -0.029 0.000 0.813 410 P CB 0.090 31.789 31.700 -0.002 0.000 0.778 411 K N -0.528 119.863 120.400 -0.015 0.000 2.442 411 K HA -0.095 4.225 4.320 -0.000 0.000 0.198 411 K C 1.587 178.181 176.600 -0.008 0.000 1.042 411 K CA 1.404 57.687 56.287 -0.007 0.000 0.958 411 K CB -1.275 31.227 32.500 0.004 0.000 0.766 411 K HN 0.231 nan 8.250 nan 0.000 0.474 412 N N -0.490 118.198 118.700 -0.021 0.000 2.250 412 N HA 0.188 4.928 4.740 -0.000 0.000 0.190 412 N C -0.088 175.402 175.510 -0.033 0.000 1.116 412 N CA -0.075 52.972 53.050 -0.004 0.000 0.881 412 N CB 0.493 38.991 38.487 0.017 0.000 1.006 412 N HN 0.443 nan 8.380 nan 0.000 0.491 413 I N 2.241 122.749 120.570 -0.105 0.000 2.471 413 I HA 0.015 4.185 4.170 -0.000 0.000 0.286 413 I C 0.065 176.141 176.117 -0.068 0.000 1.079 413 I CA -0.142 61.059 61.300 -0.165 0.000 1.398 413 I CB 0.156 38.042 38.000 -0.189 0.000 1.403 413 I HN 0.042 nan 8.210 nan 0.000 0.530 414 N N 4.195 122.869 118.700 -0.043 0.000 2.725 414 N HA -0.223 4.517 4.740 -0.000 0.000 0.251 414 N C 0.494 175.990 175.510 -0.022 0.000 1.031 414 N CA 1.353 54.382 53.050 -0.034 0.000 0.720 414 N CB -0.673 37.793 38.487 -0.034 0.000 0.930 414 N HN 0.860 nan 8.380 nan 0.000 0.543 415 K N -1.367 119.029 120.400 -0.007 0.000 2.450 415 K HA 0.620 4.940 4.320 -0.000 0.000 0.206 415 K C 1.519 178.125 176.600 0.010 0.000 1.148 415 K CA 1.020 57.309 56.287 0.004 0.000 1.014 415 K CB 0.228 32.736 32.500 0.014 0.000 0.966 415 K HN 0.258 nan 8.250 nan 0.000 0.566 416 V N -0.920 118.999 119.914 0.007 0.000 3.279 416 V HA 0.732 4.852 4.120 -0.000 0.000 0.213 416 V C 1.263 177.323 176.094 -0.058 0.000 1.335 416 V CA 0.756 63.059 62.300 0.004 0.000 1.317 416 V CB -0.009 31.854 31.823 0.066 0.000 1.209 416 V HN 0.455 nan 8.190 nan 0.000 0.525 417 V N -0.085 119.743 119.914 -0.143 0.000 3.193 417 V HA 0.819 4.939 4.120 -0.000 0.000 0.320 417 V C -0.265 175.706 176.094 -0.204 0.000 1.112 417 V CA -1.073 61.066 62.300 -0.268 0.000 1.026 417 V CB 1.591 33.016 31.823 -0.662 0.000 1.128 417 V HN 0.474 nan 8.190 nan 0.000 0.452 418 Q N 1.099 120.785 119.800 -0.191 0.000 2.347 418 Q HA 0.577 4.917 4.340 -0.000 0.000 0.262 418 Q C -0.379 175.557 176.000 -0.108 0.000 0.980 418 Q CA 0.099 55.833 55.803 -0.116 0.000 0.867 418 Q CB 1.240 29.930 28.738 -0.081 0.000 1.242 418 Q HN 1.006 nan 8.270 nan 0.000 0.453 419 T N 2.119 116.638 114.554 -0.058 0.000 2.927 419 T HA 0.291 4.641 4.350 -0.000 0.000 0.281 419 T C 0.437 175.134 174.700 -0.005 0.000 0.998 419 T CA -0.343 61.752 62.100 -0.008 0.000 1.019 419 T CB 0.852 69.762 68.868 0.070 0.000 1.061 419 T HN 0.604 nan 8.240 nan 0.000 0.518 420 Q N 1.491 121.298 119.800 0.010 0.000 2.287 420 Q HA 0.401 4.741 4.340 -0.000 0.000 0.201 420 Q C 0.306 176.305 176.000 -0.002 0.000 0.946 420 Q CA 0.863 56.666 55.803 0.002 0.000 0.868 420 Q CB 0.408 29.149 28.738 0.005 0.000 0.967 420 Q HN 0.648 nan 8.270 nan 0.000 0.516 421 I N 0.209 120.781 120.570 0.003 0.000 2.689 421 I HA 0.593 4.763 4.170 -0.000 0.000 0.299 421 I C -1.025 175.065 176.117 -0.044 0.000 1.059 421 I CA -1.221 60.061 61.300 -0.030 0.000 1.055 421 I CB 2.277 40.250 38.000 -0.044 0.000 1.243 421 I HN -0.117 nan 8.210 nan 0.000 0.425 422 A N 5.210 127.971 122.820 -0.099 0.000 2.332 422 A HA 0.658 4.978 4.320 -0.000 0.000 0.300 422 A C -0.798 176.637 177.584 -0.247 0.000 1.153 422 A CA -0.415 51.541 52.037 -0.136 0.000 0.764 422 A CB 1.188 20.129 19.000 -0.099 0.000 1.174 422 A HN 0.421 nan 8.150 nan 0.000 0.467 423 V N 3.891 123.582 119.914 -0.371 0.000 2.184 423 V HA 0.127 4.247 4.120 -0.000 0.000 0.262 423 V C 0.470 176.381 176.094 -0.304 0.000 1.209 423 V CA -0.310 61.701 62.300 -0.480 0.000 1.070 423 V CB -0.468 30.756 31.823 -0.999 0.000 1.244 423 V HN 0.949 nan 8.190 nan 0.000 0.477 424 E N 2.300 122.370 120.200 -0.217 0.000 2.459 424 E HA 0.406 4.756 4.350 -0.000 0.000 0.264 424 E C 0.906 177.464 176.600 -0.069 0.000 1.055 424 E CA 1.131 57.466 56.400 -0.109 0.000 0.957 424 E CB 0.679 30.351 29.700 -0.048 0.000 0.952 424 E HN 0.873 nan 8.360 nan 0.000 0.448 425 G N 2.305 111.096 108.800 -0.015 0.000 2.498 425 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.651 425 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.651 425 G C -1.073 173.849 174.900 0.035 0.000 1.284 425 G CA -0.496 44.609 45.100 0.010 0.000 0.950 425 G HN 0.685 nan 8.290 nan 0.000 0.511 426 D N 0.598 121.018 120.400 0.033 0.000 2.417 426 D HA 0.573 5.213 4.640 -0.000 0.000 0.250 426 D C 1.479 177.809 176.300 0.050 0.000 1.166 426 D CA 1.275 55.295 54.000 0.033 0.000 0.881 426 D CB 1.128 41.933 40.800 0.009 0.000 1.164 426 D HN 1.086 nan 8.370 nan 0.000 0.467 427 A N 3.457 126.319 122.820 0.070 0.000 1.849 427 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 427 A C 2.174 179.743 177.584 -0.025 0.000 1.202 427 A CA 2.240 54.332 52.037 0.092 0.000 0.629 427 A CB -1.219 17.797 19.000 0.027 0.000 0.834 427 A HN 0.708 nan 8.150 nan 0.000 0.447 428 T N -0.123 114.370 114.554 -0.101 0.000 2.597 428 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 428 T C 2.004 176.577 174.700 -0.212 0.000 1.053 428 T CA 2.271 64.257 62.100 -0.189 0.000 1.165 428 T CB -0.884 67.799 68.868 -0.308 0.000 0.863 428 T HN 0.583 nan 8.240 nan 0.000 0.427 429 T N 2.371 116.770 114.554 -0.258 0.000 2.720 429 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 429 T C 1.935 176.611 174.700 -0.041 0.000 1.037 429 T CA 1.088 63.089 62.100 -0.165 0.000 1.144 429 T CB -0.381 68.410 68.868 -0.129 0.000 0.864 429 T HN 0.334 nan 8.240 nan 0.000 0.444 430 N N 0.947 119.668 118.700 0.035 0.000 2.459 430 N HA 0.098 4.838 4.740 -0.000 0.000 0.181 430 N C 1.703 177.327 175.510 0.190 0.000 1.046 430 N CA 0.439 53.576 53.050 0.146 0.000 0.904 430 N CB -0.195 38.454 38.487 0.269 0.000 0.964 430 N HN 0.386 nan 8.380 nan 0.000 0.444 431 L N -0.193 121.052 121.223 0.037 0.000 2.095 431 L HA 0.038 4.378 4.340 -0.000 0.000 0.204 431 L C 2.397 179.256 176.870 -0.018 0.000 1.080 431 L CA 0.897 55.701 54.840 -0.059 0.000 0.759 431 L CB -0.679 41.265 42.059 -0.192 0.000 0.914 431 L HN 0.142 nan 8.230 nan 0.000 0.439 432 G N 0.127 108.912 108.800 -0.026 0.000 2.418 432 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 432 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 432 G C 1.407 176.312 174.900 0.008 0.000 1.158 432 G CA 0.261 45.353 45.100 -0.013 0.000 0.771 432 G HN 0.272 nan 8.290 nan 0.000 0.545 433 K N -0.288 120.124 120.400 0.019 0.000 2.668 433 K HA 0.251 4.571 4.320 -0.000 0.000 0.204 433 K C 1.155 177.782 176.600 0.045 0.000 1.016 433 K CA 0.131 56.434 56.287 0.027 0.000 1.131 433 K CB -0.060 32.454 32.500 0.024 0.000 0.891 433 K HN 0.379 nan 8.250 nan 0.000 0.499 434 M N -0.815 118.816 119.600 0.053 0.000 2.227 434 M HA 0.100 4.580 4.480 -0.000 0.000 0.422 434 M C 0.677 177.009 176.300 0.054 0.000 0.947 434 M CA 0.079 55.423 55.300 0.073 0.000 1.034 434 M CB 0.474 33.156 32.600 0.136 0.000 2.060 434 M HN 0.058 nan 8.290 nan 0.000 0.689 435 M N 0.517 120.134 119.600 0.028 0.000 2.175 435 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 435 M C 2.120 178.426 176.300 0.011 0.000 1.063 435 M CA 2.507 57.817 55.300 0.017 0.000 1.119 435 M CB -0.126 32.477 32.600 0.004 0.000 1.377 435 M HN 0.465 nan 8.290 nan 0.000 0.415 436 S N -0.073 115.628 115.700 0.002 0.000 2.348 436 S HA -0.116 4.354 4.470 -0.000 0.000 0.221 436 S C 2.033 176.608 174.600 -0.043 0.000 1.033 436 S CA 1.623 59.808 58.200 -0.026 0.000 1.010 436 S CB -1.292 61.893 63.200 -0.024 0.000 0.891 436 S HN 0.513 nan 8.310 nan 0.000 0.442 437 K N 1.111 121.517 120.400 0.009 0.000 2.665 437 K HA 0.552 4.872 4.320 -0.000 0.000 0.196 437 K C 0.469 177.172 176.600 0.171 0.000 1.021 437 K CA 0.870 57.194 56.287 0.060 0.000 1.066 437 K CB -1.978 30.584 32.500 0.104 0.000 0.849 437 K HN 1.012 nan 8.250 nan 0.000 0.500 438 I N 0.443 121.075 120.570 0.104 0.000 2.355 438 I HA 0.730 4.900 4.170 -0.000 0.000 0.288 438 I C -0.495 175.736 176.117 0.191 0.000 0.999 438 I CA -1.471 59.957 61.300 0.214 0.000 1.163 438 I CB 0.090 38.163 38.000 0.122 0.000 1.316 438 I HN 0.232 nan 8.210 nan 0.000 0.454 439 F N 7.208 127.172 119.950 0.024 0.000 2.466 439 F HA 0.545 5.072 4.527 -0.000 0.000 0.363 439 F C -1.444 174.372 175.800 0.027 0.000 1.109 439 F CA -2.478 55.535 58.000 0.023 0.000 1.161 439 F CB -0.234 38.779 39.000 0.021 0.000 1.117 439 F HN 0.422 nan 8.300 nan 0.000 0.539 440 P HA 0.136 nan 4.420 nan 0.000 0.271 440 P C -0.447 176.921 177.300 0.112 0.000 1.228 440 P CA 0.015 63.176 63.100 0.103 0.000 0.797 440 P CB 0.647 32.382 31.700 0.058 0.000 0.914 445 S N -1.453 114.327 115.700 0.134 0.000 2.761 445 S HA 0.053 4.523 4.470 -0.000 0.000 0.273 445 S C 1.253 175.977 174.600 0.207 0.000 1.073 445 S CA 0.725 58.974 58.200 0.082 0.000 1.048 445 S CB 0.260 63.467 63.200 0.011 0.000 0.955 445 S HN 0.746 nan 8.310 nan 0.000 0.500 446 E N 0.330 120.655 120.200 0.208 0.000 2.358 446 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 446 E C 1.360 178.173 176.600 0.356 0.000 1.010 446 E CA 0.359 56.884 56.400 0.207 0.000 0.856 446 E CB -0.094 29.674 29.700 0.113 0.000 0.795 446 E HN 0.780 nan 8.360 nan 0.000 0.504 447 W N -0.298 121.115 121.300 0.187 0.000 2.408 447 W HA -0.185 4.475 4.660 -0.000 0.000 0.311 447 W C 1.399 178.012 176.519 0.157 0.000 1.190 447 W CA 0.398 57.837 57.345 0.156 0.000 1.321 447 W CB -0.046 29.518 29.460 0.172 0.000 1.143 447 W HN 0.080 nan 8.180 nan 0.000 0.501 448 F N 0.845 120.922 119.950 0.211 0.000 2.075 448 F HA -0.202 4.325 4.527 -0.000 0.000 0.297 448 F C 2.655 178.491 175.800 0.060 0.000 1.113 448 F CA 1.848 59.874 58.000 0.042 0.000 1.218 448 F CB -1.647 37.378 39.000 0.040 0.000 0.984 448 F HN -0.103 nan 8.300 nan 0.000 0.472 449 A N -0.315 122.691 122.820 0.311 0.000 1.903 449 A HA -0.348 3.972 4.320 -0.000 0.000 0.219 449 A C 2.138 179.818 177.584 0.161 0.000 1.191 449 A CA 2.255 54.406 52.037 0.191 0.000 0.638 449 A CB -1.075 18.020 19.000 0.159 0.000 0.823 449 A HN 0.423 nan 8.150 nan 0.000 0.451 450 Q N 0.075 119.998 119.800 0.206 0.000 2.084 450 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 450 Q C 1.712 177.785 176.000 0.121 0.000 0.978 450 Q CA 2.099 58.017 55.803 0.192 0.000 0.844 450 Q CB -0.425 28.500 28.738 0.313 0.000 0.898 450 Q HN 0.717 nan 8.270 nan 0.000 0.426 451 I N 0.009 120.606 120.570 0.046 0.000 2.206 451 I HA -0.211 3.959 4.170 -0.000 0.000 0.239 451 I C 1.880 177.987 176.117 -0.016 0.000 1.078 451 I CA 0.843 62.099 61.300 -0.072 0.000 1.367 451 I CB -0.542 37.283 38.000 -0.292 0.000 1.078 451 I HN 0.234 nan 8.210 nan 0.000 0.413 452 N N 1.561 120.267 118.700 0.010 0.000 2.144 452 N HA -0.295 4.445 4.740 -0.000 0.000 0.195 452 N C 1.937 177.480 175.510 0.056 0.000 1.006 452 N CA 2.557 55.633 53.050 0.042 0.000 0.880 452 N CB -0.528 38.009 38.487 0.084 0.000 1.018 452 N HN 0.452 nan 8.380 nan 0.000 0.443 453 K N 0.738 121.179 120.400 0.068 0.000 2.001 453 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 453 K C 2.490 179.148 176.600 0.096 0.000 1.048 453 K CA 1.871 58.203 56.287 0.075 0.000 0.932 453 K CB -2.111 30.436 32.500 0.079 0.000 0.715 453 K HN 0.539 nan 8.250 nan 0.000 0.437 454 W N 1.185 122.542 121.300 0.094 0.000 2.342 454 W HA -0.060 4.600 4.660 -0.000 0.000 0.297 454 W C 2.993 179.612 176.519 0.167 0.000 1.213 454 W CA 3.388 60.808 57.345 0.124 0.000 1.251 454 W CB -1.140 28.350 29.460 0.049 0.000 1.136 454 W HN 0.712 nan 8.180 nan 0.000 0.526 455 K N 0.291 120.744 120.400 0.090 0.000 2.007 455 K HA 0.048 4.368 4.320 -0.000 0.000 0.206 455 K C 2.206 178.884 176.600 0.130 0.000 1.047 455 K CA 3.072 59.414 56.287 0.091 0.000 0.937 455 K CB -1.597 30.916 32.500 0.021 0.000 0.718 455 K HN 0.816 nan 8.250 nan 0.000 0.438 456 K N 1.356 121.810 120.400 0.089 0.000 2.442 456 K HA -0.142 4.178 4.320 -0.000 0.000 0.200 456 K C 1.821 178.455 176.600 0.057 0.000 1.045 456 K CA 1.950 58.275 56.287 0.063 0.000 0.937 456 K CB -0.632 31.896 32.500 0.046 0.000 0.757 456 K HN 0.800 nan 8.250 nan 0.000 0.474 457 E N -1.918 118.344 120.200 0.103 0.000 2.385 457 E HA 0.066 4.416 4.350 -0.000 0.000 0.194 457 E C -0.466 176.009 176.600 -0.209 0.000 1.013 457 E CA -0.006 56.377 56.400 -0.028 0.000 0.866 457 E CB 0.115 29.818 29.700 0.006 0.000 0.832 457 E HN 0.692 nan 8.360 nan 0.000 0.500 465 E N 0.346 120.492 120.200 -0.089 0.000 2.202 465 E HA 0.664 5.014 4.350 -0.000 0.000 0.272 465 E C -0.718 175.846 176.600 -0.060 0.000 0.951 465 E CA -0.661 55.693 56.400 -0.076 0.000 0.813 465 E CB 1.383 31.030 29.700 -0.088 0.000 1.151 465 E HN 0.168 nan 8.360 nan 0.000 0.398 466 T N 3.684 118.208 114.554 -0.049 0.000 2.806 466 T HA 0.271 4.621 4.350 -0.000 0.000 0.290 466 T C -2.278 172.399 174.700 -0.038 0.000 0.966 466 T CA -1.446 60.631 62.100 -0.040 0.000 1.060 466 T CB 1.024 69.873 68.868 -0.032 0.000 0.927 466 T HN 0.410 nan 8.240 nan 0.000 0.485 467 P HA 0.163 nan 4.420 nan 0.000 0.261 467 P C 0.839 178.122 177.300 -0.028 0.000 1.203 467 P CA 0.569 63.650 63.100 -0.033 0.000 0.767 467 P CB 0.327 32.010 31.700 -0.030 0.000 0.785 468 G N 2.405 111.188 108.800 -0.028 0.000 2.428 468 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.199 468 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.199 468 G C 0.373 175.258 174.900 -0.025 0.000 1.005 468 G CA 0.244 45.330 45.100 -0.024 0.000 0.671 468 G HN 0.763 nan 8.290 nan 0.000 0.485 469 S N 0.540 116.222 115.700 -0.029 0.000 2.646 469 S HA 0.747 5.217 4.470 -0.000 0.000 0.273 469 S C 0.370 174.949 174.600 -0.034 0.000 1.168 469 S CA -0.474 57.708 58.200 -0.029 0.000 1.013 469 S CB 1.332 64.514 63.200 -0.031 0.000 1.098 469 S HN 0.264 nan 8.310 nan 0.000 0.544 470 K N 0.345 120.724 120.400 -0.035 0.000 2.276 470 K HA 0.317 4.637 4.320 -0.000 0.000 0.259 470 K C -0.100 176.465 176.600 -0.059 0.000 1.001 470 K CA -0.022 56.241 56.287 -0.041 0.000 0.927 470 K CB 0.154 32.633 32.500 -0.036 0.000 0.969 470 K HN 0.584 nan 8.250 nan 0.000 0.490 471 I N 2.615 123.147 120.570 -0.064 0.000 2.441 471 I HA 0.048 4.218 4.170 -0.000 0.000 0.287 471 I C 0.776 176.823 176.117 -0.117 0.000 1.049 471 I CA 0.028 61.278 61.300 -0.085 0.000 1.381 471 I CB 0.489 38.443 38.000 -0.077 0.000 1.409 471 I HN 0.151 nan 8.210 nan 0.000 0.523 472 K N 7.497 127.806 120.400 -0.153 0.000 2.201 472 K HA 0.254 4.574 4.320 -0.000 0.000 0.278 472 K C -1.772 174.656 176.600 -0.287 0.000 1.027 472 K CA -1.462 54.686 56.287 -0.231 0.000 0.909 472 K CB 1.329 33.682 32.500 -0.246 0.000 1.062 472 K HN 0.221 nan 8.250 nan 0.000 0.465 473 P HA -0.223 nan 4.420 nan 0.000 0.215 473 P C 0.741 177.825 177.300 -0.361 0.000 1.157 473 P CA 1.396 64.256 63.100 -0.400 0.000 0.874 473 P CB 0.294 31.519 31.700 -0.791 0.000 0.790 474 Q N -1.135 118.325 119.800 -0.567 0.000 2.112 474 Q HA -0.154 4.186 4.340 -0.000 0.000 0.206 474 Q C 2.160 177.955 176.000 -0.341 0.000 0.987 474 Q CA 2.323 57.816 55.803 -0.516 0.000 0.858 474 Q CB -1.781 26.459 28.738 -0.830 0.000 0.905 474 Q HN 0.256 nan 8.270 nan 0.000 0.420 475 T N -0.095 114.285 114.554 -0.290 0.000 2.746 475 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 475 T C 1.901 176.520 174.700 -0.135 0.000 1.039 475 T CA 1.234 63.215 62.100 -0.199 0.000 1.142 475 T CB -0.289 68.476 68.868 -0.171 0.000 0.866 475 T HN 0.054 nan 8.240 nan 0.000 0.444 476 V N 1.515 121.359 119.914 -0.117 0.000 2.295 476 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 476 V C 2.389 178.482 176.094 -0.001 0.000 1.049 476 V CA 1.526 63.791 62.300 -0.059 0.000 1.024 476 V CB -0.612 31.180 31.823 -0.051 0.000 0.648 476 V HN 0.490 nan 8.190 nan 0.000 0.447 477 I N 0.373 120.965 120.570 0.036 0.000 2.226 477 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 477 I C 2.912 179.049 176.117 0.034 0.000 1.100 477 I CA 1.977 63.371 61.300 0.155 0.000 1.374 477 I CB -0.709 37.448 38.000 0.261 0.000 1.057 477 I HN 0.379 nan 8.210 nan 0.000 0.413 478 K N 1.340 121.703 120.400 -0.062 0.000 2.025 478 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 478 K C 2.041 178.526 176.600 -0.191 0.000 1.049 478 K CA 1.550 57.744 56.287 -0.155 0.000 0.933 478 K CB -0.777 31.633 32.500 -0.150 0.000 0.714 478 K HN 0.343 nan 8.250 nan 0.000 0.438 479 K N -0.341 119.981 120.400 -0.131 0.000 2.097 479 K HA -0.018 4.302 4.320 -0.000 0.000 0.206 479 K C 2.150 178.685 176.600 -0.109 0.000 1.049 479 K CA 1.182 57.401 56.287 -0.114 0.000 0.933 479 K CB -0.190 32.263 32.500 -0.078 0.000 0.717 479 K HN 0.235 nan 8.250 nan 0.000 0.442 480 L N 0.744 121.929 121.223 -0.064 0.000 2.109 480 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 480 L C 2.262 179.007 176.870 -0.208 0.000 1.086 480 L CA 1.599 56.446 54.840 0.011 0.000 0.760 480 L CB -0.695 41.496 42.059 0.221 0.000 0.910 480 L HN -0.001 nan 8.230 nan 0.000 0.437 481 S N -0.865 114.469 115.700 -0.610 0.000 2.370 481 S HA -0.215 4.255 4.470 -0.000 0.000 0.226 481 S C 2.202 176.386 174.600 -0.694 0.000 1.033 481 S CA 1.329 58.716 58.200 -1.355 0.000 1.011 481 S CB -0.329 61.962 63.200 -1.514 0.000 0.852 481 S HN 0.405 nan 8.310 nan 0.000 0.457 482 K N 0.947 121.091 120.400 -0.427 0.000 2.002 482 K HA -0.023 4.297 4.320 -0.000 0.000 0.209 482 K C 2.097 178.587 176.600 -0.183 0.000 1.048 482 K CA 1.511 57.635 56.287 -0.271 0.000 0.930 482 K CB -0.952 31.429 32.500 -0.199 0.000 0.714 482 K HN 0.342 nan 8.250 nan 0.000 0.438 483 V N 1.580 121.414 119.914 -0.134 0.000 2.332 483 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 483 V C 2.575 178.640 176.094 -0.047 0.000 1.055 483 V CA 2.035 64.298 62.300 -0.062 0.000 1.038 483 V CB -0.858 30.960 31.823 -0.008 0.000 0.651 483 V HN 0.400 nan 8.190 nan 0.000 0.450 484 A N 0.461 123.251 122.820 -0.050 0.000 1.883 484 A HA -0.317 4.003 4.320 -0.000 0.000 0.217 484 A C 2.078 179.645 177.584 -0.028 0.000 1.186 484 A CA 2.427 54.471 52.037 0.012 0.000 0.624 484 A CB -0.950 18.129 19.000 0.133 0.000 0.822 484 A HN 0.623 nan 8.150 nan 0.000 0.444 485 N N 0.229 118.863 118.700 -0.109 0.000 2.149 485 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 485 N C 0.944 176.414 175.510 -0.066 0.000 1.019 485 N CA 1.785 54.773 53.050 -0.103 0.000 0.857 485 N CB -0.294 38.086 38.487 -0.178 0.000 0.997 485 N HN 0.410 nan 8.380 nan 0.000 0.426 486 D N -1.264 119.096 120.400 -0.066 0.000 2.309 486 D HA -0.101 4.539 4.640 -0.000 0.000 0.212 486 D C 1.663 177.948 176.300 -0.025 0.000 0.968 486 D CA 1.355 55.327 54.000 -0.046 0.000 0.882 486 D CB -0.566 40.207 40.800 -0.046 0.000 0.918 486 D HN 0.572 nan 8.370 nan 0.000 0.503 487 T N -3.375 111.170 114.554 -0.015 0.000 3.055 487 T HA 0.179 4.529 4.350 -0.000 0.000 0.265 487 T C 1.872 176.576 174.700 0.006 0.000 1.111 487 T CA 1.010 63.108 62.100 -0.002 0.000 1.118 487 T CB 0.115 68.986 68.868 0.005 0.000 0.909 487 T HN 0.197 nan 8.240 nan 0.000 0.501 488 G N 1.861 110.663 108.800 0.004 0.000 2.220 488 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.269 488 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.269 488 G C 0.370 175.292 174.900 0.037 0.000 0.977 488 G CA 0.298 45.406 45.100 0.014 0.000 0.634 488 G HN 0.720 nan 8.290 nan 0.000 0.539 489 R N 0.165 120.692 120.500 0.044 0.000 2.707 489 R HA 0.363 4.703 4.340 -0.000 0.000 0.270 489 R C 0.529 176.895 176.300 0.110 0.000 1.083 489 R CA -0.489 55.656 56.100 0.076 0.000 1.182 489 R CB 0.305 30.645 30.300 0.066 0.000 1.084 489 R HN 0.408 nan 8.270 nan 0.000 0.528 490 H N 1.223 120.324 119.070 0.052 0.000 2.767 490 H HA 0.151 4.707 4.556 -0.000 0.000 0.316 490 H C -1.048 174.335 175.328 0.092 0.000 1.059 490 H CA -0.096 55.995 56.048 0.072 0.000 1.461 490 H CB 0.627 30.425 29.762 0.060 0.000 1.475 490 H HN 0.102 nan 8.280 nan 0.000 0.531 491 V N 8.030 127.813 119.914 -0.219 0.000 2.459 491 V HA 0.312 4.432 4.120 -0.000 0.000 0.295 491 V C 0.360 176.405 176.094 -0.082 0.000 1.029 491 V CA -0.689 61.585 62.300 -0.044 0.000 0.874 491 V CB 1.656 33.555 31.823 0.127 0.000 0.985 491 V HN 0.622 nan 8.190 nan 0.000 0.438 492 I N 4.315 124.900 120.570 0.024 0.000 2.474 492 I HA 0.585 4.755 4.170 -0.000 0.000 0.294 492 I C -0.816 175.327 176.117 0.043 0.000 1.005 492 I CA -0.851 60.488 61.300 0.065 0.000 1.113 492 I CB 2.265 40.330 38.000 0.108 0.000 1.289 492 I HN 0.273 nan 8.210 nan 0.000 0.436 493 V N 4.182 124.137 119.914 0.068 0.000 2.540 493 V HA 0.551 4.671 4.120 -0.000 0.000 0.302 493 V C 0.069 176.210 176.094 0.077 0.000 1.035 493 V CA -0.434 61.883 62.300 0.028 0.000 0.873 493 V CB 2.095 33.871 31.823 -0.078 0.000 0.992 493 V HN 0.897 nan 8.190 nan 0.000 0.428 494 T N 0.658 115.238 114.554 0.043 0.000 2.926 494 T HA 0.928 5.278 4.350 -0.000 0.000 0.289 494 T C -0.242 174.501 174.700 0.073 0.000 1.054 494 T CA -0.276 61.832 62.100 0.013 0.000 1.015 494 T CB 2.232 71.090 68.868 -0.017 0.000 1.167 494 T HN 0.922 nan 8.240 nan 0.000 0.526 495 T N -2.149 112.455 114.554 0.083 0.000 2.787 495 T HA 0.774 5.124 4.350 -0.000 0.000 0.297 495 T C 0.450 175.266 174.700 0.193 0.000 1.221 495 T CA -0.347 61.848 62.100 0.159 0.000 1.006 495 T CB 1.244 70.183 68.868 0.118 0.000 1.328 495 T HN 1.041 nan 8.240 nan 0.000 0.509 496 G N -0.363 108.646 108.800 0.347 0.000 2.773 496 G HA2 0.627 4.587 3.960 -0.000 0.000 0.186 496 G HA3 0.627 4.587 3.960 -0.000 0.000 0.186 496 G C -1.032 173.931 174.900 0.106 0.000 1.411 496 G CA -0.683 44.615 45.100 0.330 0.000 1.054 496 G HN 0.936 nan 8.290 nan 0.000 0.579 497 V N -0.169 119.806 119.914 0.102 0.000 2.588 497 V HA 0.825 4.945 4.120 -0.000 0.000 0.304 497 V C 0.650 176.721 176.094 -0.038 0.000 1.042 497 V CA 0.640 62.889 62.300 -0.086 0.000 0.877 497 V CB 0.770 32.548 31.823 -0.074 0.000 0.996 497 V HN 1.701 nan 8.190 nan 0.000 0.425 498 G N 3.480 112.147 108.800 -0.220 0.000 2.302 498 G HA2 0.005 3.965 3.960 -0.000 0.000 0.264 498 G HA3 0.005 3.965 3.960 -0.000 0.000 0.264 498 G C 0.002 174.706 174.900 -0.328 0.000 1.335 498 G CA 0.006 45.016 45.100 -0.150 0.000 0.982 498 G HN 0.443 nan 8.290 nan 0.000 0.473 499 Q N -0.523 119.069 119.800 -0.346 0.000 2.084 499 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 499 Q C 2.251 177.648 176.000 -1.005 0.000 0.978 499 Q CA 1.918 57.219 55.803 -0.837 0.000 0.844 499 Q CB -0.266 27.832 28.738 -1.066 0.000 0.898 499 Q HN 0.787 nan 8.270 nan 0.000 0.426 500 H N 0.379 119.205 119.070 -0.407 0.000 2.457 500 H HA -0.149 4.407 4.556 -0.000 0.000 0.297 500 H C 1.776 177.159 175.328 0.091 0.000 1.092 500 H CA 1.572 57.672 56.048 0.086 0.000 1.309 500 H CB -0.231 29.645 29.762 0.190 0.000 1.382 500 H HN 0.384 nan 8.280 nan 0.000 0.535 501 Q N 0.139 119.535 119.800 -0.673 0.000 2.046 501 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 501 Q C 2.000 177.967 176.000 -0.055 0.000 0.975 501 Q CA 1.455 57.053 55.803 -0.341 0.000 0.836 501 Q CB 0.150 28.645 28.738 -0.404 0.000 0.896 501 Q HN 0.263 nan 8.270 nan 0.000 0.428 502 M N -0.738 118.765 119.600 -0.162 0.000 2.175 502 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 502 M C 1.770 178.113 176.300 0.072 0.000 1.063 502 M CA 1.030 56.295 55.300 -0.059 0.000 1.119 502 M CB -1.236 31.268 32.600 -0.160 0.000 1.377 502 M HN 0.390 nan 8.290 nan 0.000 0.415 503 W N 0.610 121.960 121.300 0.084 0.000 2.363 503 W HA -0.014 4.646 4.660 -0.000 0.000 0.296 503 W C 2.673 179.312 176.519 0.200 0.000 1.212 503 W CA 1.410 58.852 57.345 0.162 0.000 1.260 503 W CB -1.526 28.065 29.460 0.220 0.000 1.131 503 W HN 0.295 nan 8.180 nan 0.000 0.530 504 A N 0.577 123.660 122.820 0.439 0.000 1.902 504 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 504 A C 2.266 180.072 177.584 0.369 0.000 1.181 504 A CA 2.754 55.039 52.037 0.415 0.000 0.623 504 A CB -1.113 18.135 19.000 0.413 0.000 0.818 504 A HN 0.117 nan 8.150 nan 0.000 0.443 505 A N -0.558 122.414 122.820 0.253 0.000 1.877 505 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 505 A C 2.161 179.876 177.584 0.220 0.000 1.186 505 A CA 1.743 53.829 52.037 0.081 0.000 0.620 505 A CB -0.579 18.470 19.000 0.081 0.000 0.822 505 A HN 0.680 nan 8.150 nan 0.000 0.443 506 Q N -1.212 118.643 119.800 0.093 0.000 1.994 506 Q HA -0.113 4.227 4.340 -0.000 0.000 0.198 506 Q C 1.680 177.585 176.000 -0.158 0.000 0.976 506 Q CA 1.341 57.085 55.803 -0.098 0.000 0.828 506 Q CB -0.296 28.236 28.738 -0.344 0.000 0.894 506 Q HN 0.775 nan 8.270 nan 0.000 0.432 507 H N -1.550 117.622 119.070 0.170 0.000 2.547 507 H HA 0.017 4.573 4.556 -0.000 0.000 0.266 507 H C 0.042 175.370 175.328 0.002 0.000 0.988 507 H CA 0.182 56.273 56.048 0.072 0.000 1.147 507 H CB 0.012 29.810 29.762 0.059 0.000 1.365 507 H HN 0.292 nan 8.280 nan 0.000 0.589 508 W N 1.806 122.998 121.300 -0.181 0.000 2.448 508 W HA 0.215 4.875 4.660 -0.000 0.000 0.339 508 W C -0.658 175.374 176.519 -0.812 0.000 1.124 508 W CA -0.387 56.631 57.345 -0.545 0.000 1.262 508 W CB 1.444 30.395 29.460 -0.849 0.000 1.251 508 W HN -0.269 nan 8.180 nan 0.000 0.597 509 T N 5.401 119.435 114.554 -0.867 0.000 2.781 509 T HA 0.150 4.500 4.350 -0.000 0.000 0.305 509 T C -0.750 173.665 174.700 -0.475 0.000 1.001 509 T CA -0.036 61.730 62.100 -0.558 0.000 0.950 509 T CB -0.240 68.376 68.868 -0.422 0.000 0.955 509 T HN 0.217 nan 8.240 nan 0.000 0.471 510 W N 3.135 124.495 121.300 0.100 0.000 2.287 510 W HA 0.411 5.071 4.660 -0.000 0.000 0.313 510 W C 1.379 177.904 176.519 0.010 0.000 1.267 510 W CA -0.822 56.575 57.345 0.088 0.000 1.201 510 W CB 0.819 30.281 29.460 0.004 0.000 1.196 510 W HN 0.561 nan 8.180 nan 0.000 0.536 511 R N 1.206 121.840 120.500 0.223 0.000 2.551 511 R HA 0.124 4.464 4.340 -0.000 0.000 0.202 511 R C -0.267 176.104 176.300 0.117 0.000 0.861 511 R CA -0.185 55.972 56.100 0.096 0.000 1.018 511 R CB 0.238 30.555 30.300 0.029 0.000 1.435 511 R HN 0.461 nan 8.270 nan 0.000 0.659 512 N N 3.126 121.926 118.700 0.167 0.000 2.405 512 N HA 0.300 5.040 4.740 -0.000 0.000 0.299 512 N C -2.743 172.885 175.510 0.196 0.000 1.075 512 N CA -1.718 51.437 53.050 0.174 0.000 0.884 512 N CB 1.949 40.542 38.487 0.177 0.000 1.194 512 N HN -0.104 nan 8.380 nan 0.000 0.491 513 P HA -0.019 nan 4.420 nan 0.000 0.274 513 P C -0.711 176.738 177.300 0.249 0.000 1.231 513 P CA 0.502 63.693 63.100 0.152 0.000 0.790 513 P CB 0.479 32.289 31.700 0.184 0.000 0.951 514 H N -0.242 118.881 119.070 0.088 0.000 2.839 514 H HA -0.095 4.461 4.556 -0.000 0.000 0.298 514 H C 0.616 176.015 175.328 0.117 0.000 1.224 514 H CA 1.332 57.427 56.048 0.079 0.000 1.144 514 H CB -2.303 27.503 29.762 0.073 0.000 1.372 514 H HN 0.635 nan 8.280 nan 0.000 0.408 515 T N -3.953 110.704 114.554 0.171 0.000 3.004 515 T HA 0.203 4.553 4.350 -0.000 0.000 0.266 515 T C 0.023 174.844 174.700 0.203 0.000 0.986 515 T CA -0.251 61.961 62.100 0.188 0.000 0.902 515 T CB 0.380 69.367 68.868 0.197 0.000 1.118 515 T HN 0.110 nan 8.240 nan 0.000 0.522 516 F N 2.487 122.327 119.950 -0.183 0.000 2.382 516 F HA 0.672 5.199 4.527 -0.000 0.000 0.361 516 F C -1.175 174.489 175.800 -0.226 0.000 1.109 516 F CA -2.807 54.956 58.000 -0.396 0.000 1.031 516 F CB 0.936 39.348 39.000 -0.980 0.000 1.234 516 F HN 0.052 nan 8.300 nan 0.000 0.445 517 I N 5.752 126.112 120.570 -0.352 0.000 2.460 517 I HA 0.256 4.426 4.170 -0.000 0.000 0.277 517 I C -0.189 175.748 176.117 -0.300 0.000 1.057 517 I CA -0.190 60.958 61.300 -0.254 0.000 1.179 517 I CB 1.381 39.348 38.000 -0.054 0.000 1.329 517 I HN 0.481 nan 8.210 nan 0.000 0.478 518 T N 2.985 117.218 114.554 -0.534 0.000 2.906 518 T HA 0.284 4.634 4.350 -0.000 0.000 0.295 518 T C -0.537 173.809 174.700 -0.590 0.000 1.061 518 T CA -0.411 61.381 62.100 -0.515 0.000 1.000 518 T CB 1.962 70.327 68.868 -0.838 0.000 1.103 518 T HN 0.358 nan 8.240 nan 0.000 0.486 519 S N 2.241 117.456 115.700 -0.809 0.000 2.416 519 S HA 0.442 4.912 4.470 -0.000 0.000 0.302 519 S C 1.236 175.569 174.600 -0.445 0.000 1.120 519 S CA 0.047 57.752 58.200 -0.824 0.000 1.067 519 S CB -0.312 62.288 63.200 -1.001 0.000 1.057 519 S HN 0.863 nan 8.310 nan 0.000 0.518 520 G N 3.885 112.479 108.800 -0.344 0.000 2.556 520 G HA2 0.160 4.120 3.960 -0.000 0.000 0.209 520 G HA3 0.160 4.120 3.960 -0.000 0.000 0.209 520 G C 1.303 176.096 174.900 -0.178 0.000 1.159 520 G CA 0.410 45.369 45.100 -0.236 0.000 0.828 520 G HN 0.766 nan 8.290 nan 0.000 0.553 521 G N 0.767 109.469 108.800 -0.163 0.000 2.421 521 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.216 521 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.216 521 G C 1.632 176.477 174.900 -0.091 0.000 1.171 521 G CA 1.209 46.242 45.100 -0.111 0.000 0.775 521 G HN 0.381 nan 8.290 nan 0.000 0.543 522 L N -0.044 121.115 121.223 -0.107 0.000 2.515 522 L HA 0.441 4.781 4.340 -0.000 0.000 0.223 522 L C 1.588 178.396 176.870 -0.105 0.000 1.079 522 L CA 1.331 56.125 54.840 -0.076 0.000 0.857 522 L CB 0.021 42.055 42.059 -0.043 0.000 1.050 522 L HN 0.403 nan 8.230 nan 0.000 0.476 523 G N 1.318 110.017 108.800 -0.169 0.000 2.367 523 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.295 523 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.295 523 G C 0.111 174.926 174.900 -0.141 0.000 1.019 523 G CA 0.561 45.556 45.100 -0.175 0.000 1.224 523 G HN 0.325 nan 8.290 nan 0.000 0.510 524 T N 2.477 116.924 114.554 -0.178 0.000 2.723 524 T HA 0.473 4.823 4.350 -0.000 0.000 0.297 524 T C 1.228 175.879 174.700 -0.082 0.000 0.925 524 T CA -0.144 61.896 62.100 -0.101 0.000 1.030 524 T CB 0.600 69.432 68.868 -0.060 0.000 0.905 524 T HN 0.432 nan 8.240 nan 0.000 0.502 525 M N 2.314 121.894 119.600 -0.034 0.000 2.249 525 M HA 0.324 4.804 4.480 -0.000 0.000 0.340 525 M C 1.515 177.811 176.300 -0.005 0.000 1.166 525 M CA 0.964 56.265 55.300 0.001 0.000 1.115 525 M CB 0.333 32.941 32.600 0.015 0.000 1.606 525 M HN 0.980 nan 8.290 nan 0.000 0.448 526 G N 1.297 110.104 108.800 0.011 0.000 2.176 526 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.232 526 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.232 526 G C 0.373 175.230 174.900 -0.071 0.000 0.986 526 G CA 0.386 45.468 45.100 -0.029 0.000 0.643 526 G HN 0.820 nan 8.290 nan 0.000 0.522 527 Y N 1.571 121.710 120.300 -0.267 0.000 2.200 527 Y HA 0.142 4.692 4.550 -0.000 0.000 0.290 527 Y C 2.650 178.436 175.900 -0.189 0.000 1.137 527 Y CA 2.696 60.551 58.100 -0.407 0.000 1.163 527 Y CB -0.575 37.657 38.460 -0.378 0.000 0.988 527 Y HN 0.262 nan 8.280 nan 0.000 0.518 528 G N 0.984 109.804 108.800 0.034 0.000 2.631 528 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.219 528 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.219 528 G C 1.593 176.472 174.900 -0.035 0.000 1.214 528 G CA 1.504 46.617 45.100 0.022 0.000 0.785 528 G HN 0.454 nan 8.290 nan 0.000 0.596 529 L N 2.655 123.891 121.223 0.022 0.000 1.970 529 L HA -0.008 4.332 4.340 -0.000 0.000 0.212 529 L C 0.500 177.353 176.870 -0.028 0.000 1.071 529 L CA 2.715 57.581 54.840 0.043 0.000 0.751 529 L CB -1.275 40.825 42.059 0.068 0.000 0.889 529 L HN 0.215 nan 8.230 nan 0.000 0.432 530 P HA -0.167 nan 4.420 nan 0.000 0.217 530 P C 1.406 178.606 177.300 -0.167 0.000 1.150 530 P CA 2.149 65.201 63.100 -0.079 0.000 0.832 530 P CB -0.197 31.484 31.700 -0.032 0.000 0.787 531 A N 0.582 123.200 122.820 -0.338 0.000 1.933 531 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 531 A C 2.514 179.975 177.584 -0.205 0.000 1.175 531 A CA 2.033 53.806 52.037 -0.440 0.000 0.628 531 A CB -1.476 16.957 19.000 -0.945 0.000 0.814 531 A HN 0.242 nan 8.150 nan 0.000 0.444 532 A N -0.096 122.647 122.820 -0.127 0.000 1.930 532 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 532 A C 2.091 179.683 177.584 0.013 0.000 1.175 532 A CA 1.397 53.416 52.037 -0.031 0.000 0.627 532 A CB -0.544 18.462 19.000 0.010 0.000 0.815 532 A HN 0.488 nan 8.150 nan 0.000 0.443 533 I N -0.329 120.251 120.570 0.016 0.000 2.226 533 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 533 I C 2.688 178.875 176.117 0.116 0.000 1.100 533 I CA 1.188 62.531 61.300 0.071 0.000 1.374 533 I CB -0.552 37.495 38.000 0.079 0.000 1.057 533 I HN 0.395 nan 8.210 nan 0.000 0.413 534 G N 0.306 109.137 108.800 0.051 0.000 2.408 534 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 534 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 534 G C 1.853 176.869 174.900 0.195 0.000 1.150 534 G CA 0.769 45.931 45.100 0.103 0.000 0.776 534 G HN 0.485 nan 8.290 nan 0.000 0.542 535 A N 0.217 123.084 122.820 0.078 0.000 1.898 535 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 535 A C 2.302 179.944 177.584 0.096 0.000 1.181 535 A CA 2.206 54.282 52.037 0.066 0.000 0.620 535 A CB -0.431 18.589 19.000 0.033 0.000 0.819 535 A HN 0.400 nan 8.150 nan 0.000 0.442 536 Q N -0.077 119.786 119.800 0.105 0.000 2.084 536 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 536 Q C 1.824 177.904 176.000 0.135 0.000 0.978 536 Q CA 2.086 57.951 55.803 0.105 0.000 0.844 536 Q CB -0.573 28.219 28.738 0.091 0.000 0.898 536 Q HN 0.338 nan 8.270 nan 0.000 0.426 537 V N 0.512 120.550 119.914 0.206 0.000 2.490 537 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 537 V C 2.161 178.423 176.094 0.279 0.000 1.061 537 V CA 1.650 64.102 62.300 0.253 0.000 1.064 537 V CB -1.048 30.988 31.823 0.355 0.000 0.670 537 V HN 0.500 nan 8.190 nan 0.000 0.461 538 A N -1.141 121.827 122.820 0.247 0.000 1.930 538 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 538 A C 1.358 178.933 177.584 -0.014 0.000 1.176 538 A CA 1.033 53.075 52.037 0.009 0.000 0.632 538 A CB 0.031 18.837 19.000 -0.322 0.000 0.819 538 A HN 0.369 nan 8.150 nan 0.000 0.445 539 K N -0.487 119.928 120.400 0.025 0.000 2.679 539 K HA 0.301 4.621 4.320 -0.000 0.000 0.188 539 K C -2.545 174.083 176.600 0.047 0.000 1.055 539 K CA -1.869 54.426 56.287 0.015 0.000 1.006 539 K CB 1.152 33.667 32.500 0.024 0.000 1.317 539 K HN 0.056 nan 8.250 nan 0.000 0.584 540 P HA -0.166 nan 4.420 nan 0.000 0.217 540 P C 0.697 178.022 177.300 0.041 0.000 1.148 540 P CA 1.278 64.407 63.100 0.048 0.000 0.828 540 P CB 0.513 32.237 31.700 0.041 0.000 0.783 541 E N -1.060 119.159 120.200 0.033 0.000 2.442 541 E HA 0.096 4.446 4.350 -0.000 0.000 0.195 541 E C 0.583 177.221 176.600 0.064 0.000 1.030 541 E CA 0.373 56.795 56.400 0.036 0.000 0.869 541 E CB -0.390 29.322 29.700 0.021 0.000 0.857 541 E HN 0.198 nan 8.360 nan 0.000 0.505 542 S N 1.201 116.955 115.700 0.090 0.000 2.592 542 S HA 0.233 4.703 4.470 -0.000 0.000 0.271 542 S C 0.053 174.715 174.600 0.103 0.000 1.326 542 S CA -0.622 57.671 58.200 0.155 0.000 1.024 542 S CB 0.860 64.215 63.200 0.258 0.000 0.921 542 S HN 0.123 nan 8.310 nan 0.000 0.527 543 L N 4.164 125.445 121.223 0.096 0.000 2.260 543 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 543 L C -1.022 175.880 176.870 0.054 0.000 1.057 543 L CA -0.019 54.851 54.840 0.049 0.000 0.811 543 L CB 0.386 42.469 42.059 0.040 0.000 1.184 543 L HN 0.371 nan 8.230 nan 0.000 0.429 544 V N 7.272 127.207 119.914 0.035 0.000 2.347 544 V HA 0.453 4.573 4.120 -0.000 0.000 0.280 544 V C 0.232 176.339 176.094 0.021 0.000 1.021 544 V CA -0.398 61.926 62.300 0.039 0.000 0.847 544 V CB 1.146 32.998 31.823 0.049 0.000 0.990 544 V HN 0.616 nan 8.190 nan 0.000 0.444 545 I N 3.781 124.369 120.570 0.031 0.000 2.404 545 I HA 0.426 4.596 4.170 -0.000 0.000 0.293 545 I C -0.699 175.460 176.117 0.071 0.000 0.992 545 I CA -0.446 60.891 61.300 0.061 0.000 1.149 545 I CB 2.097 40.151 38.000 0.090 0.000 1.315 545 I HN 0.569 nan 8.210 nan 0.000 0.446 546 D N 7.597 128.067 120.400 0.116 0.000 2.427 546 D HA 0.349 4.989 4.640 -0.000 0.000 0.226 546 D C -0.557 175.821 176.300 0.130 0.000 1.076 546 D CA -0.267 53.798 54.000 0.109 0.000 0.849 546 D CB 0.792 41.657 40.800 0.107 0.000 1.052 546 D HN 0.316 nan 8.370 nan 0.000 0.515 547 I N 3.750 124.409 120.570 0.149 0.000 2.278 547 I HA 0.186 4.356 4.170 -0.000 0.000 0.296 547 I C 0.343 176.601 176.117 0.235 0.000 1.121 547 I CA -0.279 61.131 61.300 0.184 0.000 1.267 547 I CB 0.439 38.582 38.000 0.239 0.000 1.447 547 I HN 0.309 nan 8.210 nan 0.000 0.509 548 D N 4.239 124.670 120.400 0.051 0.000 2.340 548 D HA 0.565 5.205 4.640 -0.000 0.000 0.243 548 D C -0.068 175.877 176.300 -0.591 0.000 0.988 548 D CA -0.195 53.737 54.000 -0.113 0.000 0.959 548 D CB 2.440 43.223 40.800 -0.029 0.000 1.226 548 D HN 0.492 nan 8.370 nan 0.000 0.509 549 G N -0.227 108.030 108.800 -0.905 0.000 2.441 549 G HA2 0.250 4.210 3.960 -0.000 0.000 0.334 549 G HA3 0.250 4.210 3.960 -0.000 0.000 0.334 549 G C 0.796 175.557 174.900 -0.232 0.000 1.161 549 G CA -0.456 44.210 45.100 -0.723 0.000 0.935 549 G HN 0.508 nan 8.290 nan 0.000 0.488 550 D N 0.628 120.962 120.400 -0.111 0.000 2.117 550 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 550 D C 2.285 178.687 176.300 0.171 0.000 0.987 550 D CA 1.263 55.288 54.000 0.043 0.000 0.829 550 D CB -0.454 40.454 40.800 0.179 0.000 0.961 550 D HN 0.366 nan 8.370 nan 0.000 0.460 551 A N 0.944 123.832 122.820 0.114 0.000 1.898 551 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 551 A C 2.534 180.178 177.584 0.100 0.000 1.181 551 A CA 1.856 53.961 52.037 0.113 0.000 0.620 551 A CB -0.676 18.369 19.000 0.075 0.000 0.819 551 A HN 0.259 nan 8.150 nan 0.000 0.442 552 S N -1.133 114.621 115.700 0.089 0.000 2.356 552 S HA -0.143 4.327 4.470 -0.000 0.000 0.223 552 S C 1.656 176.310 174.600 0.091 0.000 1.032 552 S CA 1.492 59.745 58.200 0.089 0.000 1.005 552 S CB -0.510 62.769 63.200 0.132 0.000 0.867 552 S HN 0.607 nan 8.310 nan 0.000 0.449 553 F N 2.846 122.772 119.950 -0.039 0.000 2.161 553 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 553 F C 1.714 177.530 175.800 0.026 0.000 1.089 553 F CA 1.323 59.296 58.000 -0.046 0.000 1.282 553 F CB -0.671 38.230 39.000 -0.164 0.000 1.010 553 F HN 0.159 nan 8.300 nan 0.000 0.485 554 N N -0.459 118.285 118.700 0.074 0.000 2.223 554 N HA -0.196 4.544 4.740 -0.000 0.000 0.185 554 N C 1.891 177.352 175.510 -0.082 0.000 1.016 554 N CA 1.536 54.600 53.050 0.022 0.000 0.863 554 N CB -0.157 38.407 38.487 0.128 0.000 0.983 554 N HN 0.220 nan 8.380 nan 0.000 0.429 555 M N -0.263 119.295 119.600 -0.069 0.000 2.106 555 M HA -0.106 4.374 4.480 -0.000 0.000 0.259 555 M C 1.174 177.391 176.300 -0.139 0.000 1.068 555 M CA 1.549 56.801 55.300 -0.080 0.000 1.100 555 M CB -1.089 31.481 32.600 -0.050 0.000 1.351 555 M HN 0.314 nan 8.290 nan 0.000 0.404 556 T N -2.587 111.845 114.554 -0.202 0.000 3.337 556 T HA 0.299 4.649 4.350 -0.000 0.000 0.299 556 T C 1.175 175.696 174.700 -0.299 0.000 0.998 556 T CA -0.395 61.579 62.100 -0.210 0.000 0.948 556 T CB -0.618 68.168 68.868 -0.138 0.000 1.170 556 T HN 0.437 nan 8.240 nan 0.000 0.508 557 L N -0.738 120.208 121.223 -0.461 0.000 2.447 557 L HA 0.030 4.370 4.340 -0.000 0.000 0.225 557 L C 1.958 178.707 176.870 -0.201 0.000 1.148 557 L CA 1.684 56.173 54.840 -0.585 0.000 0.808 557 L CB -1.545 40.101 42.059 -0.689 0.000 0.928 557 L HN 0.312 nan 8.230 nan 0.000 0.448 558 T N 0.194 114.679 114.554 -0.115 0.000 2.962 558 T HA -0.101 4.248 4.350 -0.000 0.000 0.270 558 T C 1.568 176.274 174.700 0.010 0.000 1.088 558 T CA 1.168 63.255 62.100 -0.022 0.000 1.127 558 T CB -0.227 68.642 68.868 0.001 0.000 0.883 558 T HN 0.448 nan 8.240 nan 0.000 0.493 559 E N 0.897 121.088 120.200 -0.014 0.000 2.516 559 E HA 0.017 4.367 4.350 -0.000 0.000 0.199 559 E C 1.900 178.535 176.600 0.059 0.000 1.069 559 E CA 0.039 56.458 56.400 0.032 0.000 0.876 559 E CB -0.278 29.433 29.700 0.017 0.000 0.843 559 E HN 0.381 nan 8.360 nan 0.000 0.530 560 L N 1.310 122.569 121.223 0.059 0.000 2.012 560 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 560 L C 2.390 179.324 176.870 0.106 0.000 1.073 560 L CA 2.106 57.013 54.840 0.112 0.000 0.748 560 L CB -1.181 40.968 42.059 0.150 0.000 0.891 560 L HN 0.145 nan 8.230 nan 0.000 0.431 561 S N -2.750 113.006 115.700 0.095 0.000 2.423 561 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 561 S C 2.034 176.694 174.600 0.099 0.000 1.014 561 S CA 1.118 59.375 58.200 0.094 0.000 0.965 561 S CB -0.522 62.731 63.200 0.090 0.000 0.785 561 S HN 0.393 nan 8.310 nan 0.000 0.495 562 S N 2.328 118.090 115.700 0.104 0.000 2.383 562 S HA 0.120 4.590 4.470 -0.000 0.000 0.227 562 S C 2.323 176.989 174.600 0.110 0.000 1.026 562 S CA 0.945 59.215 58.200 0.116 0.000 0.981 562 S CB -0.758 62.516 63.200 0.124 0.000 0.818 562 S HN 0.787 nan 8.310 nan 0.000 0.472 563 A N 1.311 124.193 122.820 0.103 0.000 1.877 563 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 563 A C 2.345 179.983 177.584 0.090 0.000 1.186 563 A CA 1.566 53.662 52.037 0.099 0.000 0.620 563 A CB -0.963 18.097 19.000 0.100 0.000 0.822 563 A HN 0.336 nan 8.150 nan 0.000 0.443 564 V N 0.008 119.975 119.914 0.089 0.000 2.295 564 V HA -0.332 3.788 4.120 -0.000 0.000 0.246 564 V C 2.742 178.881 176.094 0.076 0.000 1.049 564 V CA 2.368 64.715 62.300 0.079 0.000 1.024 564 V CB -0.881 30.989 31.823 0.078 0.000 0.648 564 V HN 0.772 nan 8.190 nan 0.000 0.447 565 Q N -0.109 119.741 119.800 0.083 0.000 2.135 565 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 565 Q C 2.004 178.052 176.000 0.080 0.000 0.981 565 Q CA 1.876 57.728 55.803 0.083 0.000 0.856 565 Q CB -0.226 28.570 28.738 0.097 0.000 0.902 565 Q HN 0.652 nan 8.270 nan 0.000 0.425 566 A N -0.550 122.321 122.820 0.086 0.000 2.251 566 A HA 0.268 4.588 4.320 -0.000 0.000 0.209 566 A C 1.424 179.050 177.584 0.070 0.000 1.187 566 A CA 0.756 52.842 52.037 0.081 0.000 0.823 566 A CB -0.369 18.691 19.000 0.099 0.000 0.846 566 A HN 0.601 nan 8.150 nan 0.000 0.486 567 G N 0.136 108.976 108.800 0.067 0.000 2.179 567 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 567 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 567 G C 0.370 175.305 174.900 0.060 0.000 1.010 567 G CA 0.732 45.866 45.100 0.057 0.000 0.736 567 G HN 1.406 nan 8.290 nan 0.000 0.513 568 T N -0.493 114.104 114.554 0.071 0.000 2.723 568 T HA 0.589 4.939 4.350 -0.000 0.000 0.297 568 T C -1.447 173.289 174.700 0.060 0.000 0.925 568 T CA -1.434 60.709 62.100 0.071 0.000 1.030 568 T CB 2.191 71.113 68.868 0.090 0.000 0.905 568 T HN 0.161 nan 8.240 nan 0.000 0.502 569 P HA 0.125 nan 4.420 nan 0.000 0.228 569 P C 0.567 177.873 177.300 0.010 0.000 1.748 569 P CA -0.373 62.742 63.100 0.026 0.000 0.909 569 P CB -0.668 31.040 31.700 0.014 0.000 1.882 570 V N -1.344 118.589 119.914 0.031 0.000 2.740 570 V HA 0.240 4.360 4.120 -0.000 0.000 0.303 570 V C 0.365 176.461 176.094 0.003 0.000 1.054 570 V CA -0.280 62.036 62.300 0.027 0.000 1.106 570 V CB 0.261 32.121 31.823 0.061 0.000 0.957 570 V HN -0.008 nan 8.190 nan 0.000 0.486 571 K N 5.494 125.866 120.400 -0.047 0.000 2.292 571 K HA 0.526 4.846 4.320 -0.000 0.000 0.270 571 K C -0.700 176.039 176.600 0.232 0.000 1.062 571 K CA -0.567 55.638 56.287 -0.137 0.000 0.916 571 K CB 1.193 33.276 32.500 -0.695 0.000 1.166 571 K HN 0.627 nan 8.250 nan 0.000 0.458 572 I N 4.406 125.179 120.570 0.338 0.000 2.301 572 I HA 0.189 4.359 4.170 -0.000 0.000 0.292 572 I C 0.054 176.250 176.117 0.131 0.000 1.046 572 I CA -1.047 60.380 61.300 0.211 0.000 1.282 572 I CB 0.296 38.341 38.000 0.075 0.000 1.409 572 I HN 0.352 nan 8.210 nan 0.000 0.484 573 L N 8.691 129.952 121.223 0.063 0.000 2.272 573 L HA 0.546 4.886 4.340 -0.000 0.000 0.289 573 L C -0.508 176.203 176.870 -0.264 0.000 1.032 573 L CA 0.079 54.801 54.840 -0.197 0.000 0.810 573 L CB 0.786 42.800 42.059 -0.075 0.000 1.205 573 L HN 0.374 nan 8.230 nan 0.000 0.422 574 I N 6.685 127.013 120.570 -0.404 0.000 2.330 574 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 574 I C -0.524 175.412 176.117 -0.301 0.000 1.025 574 I CA -0.436 60.583 61.300 -0.468 0.000 1.197 574 I CB 1.190 38.693 38.000 -0.828 0.000 1.358 574 I HN 0.500 nan 8.210 nan 0.000 0.467 575 L N 6.371 127.472 121.223 -0.202 0.000 2.356 575 L HA 0.202 4.542 4.340 -0.000 0.000 0.282 575 L C 0.315 177.147 176.870 -0.064 0.000 1.132 575 L CA -0.228 54.562 54.840 -0.084 0.000 0.923 575 L CB -0.338 41.744 42.059 0.038 0.000 1.278 575 L HN 0.536 nan 8.230 nan 0.000 0.436 576 N N 3.469 122.138 118.700 -0.051 0.000 2.401 576 N HA 0.032 4.772 4.740 -0.000 0.000 0.255 576 N C 0.114 175.658 175.510 0.057 0.000 1.110 576 N CA -0.212 52.854 53.050 0.026 0.000 0.949 576 N CB 0.565 39.114 38.487 0.102 0.000 1.110 576 N HN 0.469 nan 8.380 nan 0.000 0.490 577 N N 2.728 121.475 118.700 0.079 0.000 2.416 577 N HA -0.022 4.718 4.740 -0.000 0.000 0.267 577 N C 0.563 176.131 175.510 0.096 0.000 1.294 577 N CA -0.284 52.818 53.050 0.086 0.000 0.891 577 N CB -0.321 38.238 38.487 0.121 0.000 1.238 577 N HN 0.742 nan 8.380 nan 0.000 0.508 578 E N 0.210 120.474 120.200 0.108 0.000 2.339 578 E HA -0.257 4.093 4.350 -0.000 0.000 0.201 578 E C 0.408 177.105 176.600 0.162 0.000 1.015 578 E CA 1.067 57.547 56.400 0.133 0.000 0.841 578 E CB -0.047 29.729 29.700 0.127 0.000 0.754 578 E HN 0.196 nan 8.360 nan 0.000 0.508 579 E N 1.371 121.636 120.200 0.108 0.000 2.106 579 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 579 E C 0.927 177.629 176.600 0.171 0.000 0.984 579 E CA 1.090 57.539 56.400 0.082 0.000 0.806 579 E CB -0.209 29.509 29.700 0.030 0.000 0.750 579 E HN 0.709 nan 8.360 nan 0.000 0.458 580 Q N 0.494 120.379 119.800 0.141 0.000 2.267 580 Q HA 0.494 4.834 4.340 -0.000 0.000 0.255 580 Q C 0.400 176.439 176.000 0.064 0.000 0.923 580 Q CA -0.330 55.535 55.803 0.104 0.000 0.925 580 Q CB 1.170 29.915 28.738 0.011 0.000 1.195 580 Q HN -0.075 nan 8.270 nan 0.000 0.417 581 G N 2.688 111.430 108.800 -0.097 0.000 2.544 581 G HA2 0.219 4.179 3.960 -0.000 0.000 0.242 581 G HA3 0.219 4.179 3.960 -0.000 0.000 0.242 581 G C 0.562 175.316 174.900 -0.244 0.000 1.247 581 G CA -0.780 44.044 45.100 -0.460 0.000 0.840 581 G HN 0.949 nan 8.290 nan 0.000 0.578 582 M N -0.025 119.443 119.600 -0.220 0.000 2.581 582 M HA 0.400 4.880 4.480 -0.000 0.000 0.224 582 M C -0.726 175.473 176.300 -0.168 0.000 1.171 582 M CA 0.224 55.443 55.300 -0.136 0.000 0.993 582 M CB 0.048 32.605 32.600 -0.073 0.000 1.685 582 M HN 0.005 nan 8.290 nan 0.000 0.479 583 V N 0.694 120.440 119.914 -0.280 0.000 2.567 583 V HA 0.277 4.397 4.120 -0.000 0.000 0.298 583 V C -0.297 175.551 176.094 -0.410 0.000 1.047 583 V CA -0.556 61.530 62.300 -0.356 0.000 0.880 583 V CB 1.817 33.320 31.823 -0.533 0.000 1.009 583 V HN 0.303 nan 8.190 nan 0.000 0.429 584 T N 3.700 118.122 114.554 -0.219 0.000 2.832 584 T HA 0.204 4.554 4.350 -0.000 0.000 0.296 584 T C 0.674 175.337 174.700 -0.061 0.000 0.968 584 T CA 0.071 62.089 62.100 -0.136 0.000 1.107 584 T CB 1.972 70.806 68.868 -0.057 0.000 0.916 584 T HN 0.760 nan 8.240 nan 0.000 0.517 585 Q N 2.432 122.233 119.800 0.003 0.000 2.274 585 Q HA 0.199 4.539 4.340 -0.000 0.000 0.198 585 Q C -0.245 175.970 176.000 0.360 0.000 0.955 585 Q CA 0.750 56.680 55.803 0.213 0.000 0.859 585 Q CB 0.620 29.558 28.738 0.333 0.000 0.956 585 Q HN 0.825 nan 8.270 nan 0.000 0.516 586 W N -0.150 121.206 121.300 0.093 0.000 3.066 586 W HA 0.509 5.169 4.660 -0.000 0.000 0.330 586 W C -1.251 175.388 176.519 0.200 0.000 1.253 586 W CA -0.828 56.567 57.345 0.083 0.000 1.187 586 W CB -0.200 29.257 29.460 -0.006 0.000 1.434 586 W HN 0.208 nan 8.180 nan 0.000 0.572 587 Q N 0.434 120.497 119.800 0.438 0.000 2.857 587 Q HA 0.753 5.093 4.340 -0.000 0.000 0.319 587 Q C -1.225 175.039 176.000 0.441 0.000 0.963 587 Q CA -0.956 55.079 55.803 0.387 0.000 0.770 587 Q CB 2.050 30.910 28.738 0.203 0.000 1.492 587 Q HN 0.259 nan 8.270 nan 0.000 0.493 588 S N 0.373 116.302 115.700 0.380 0.000 2.525 588 S HA 0.370 4.840 4.470 -0.000 0.000 0.290 588 S C 0.924 175.672 174.600 0.247 0.000 1.152 588 S CA -0.731 57.679 58.200 0.349 0.000 1.072 588 S CB 0.923 64.343 63.200 0.365 0.000 1.027 588 S HN 0.574 nan 8.310 nan 0.000 0.500 589 L N 1.206 122.583 121.223 0.257 0.000 1.973 589 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 589 L C 0.340 177.248 176.870 0.063 0.000 1.073 589 L CA 1.471 56.406 54.840 0.158 0.000 0.746 589 L CB -0.258 41.950 42.059 0.248 0.000 0.891 589 L HN 0.485 nan 8.230 nan 0.000 0.433 593 H N 0.335 119.436 119.070 0.052 0.000 2.615 593 H HA 0.810 5.366 4.556 -0.000 0.000 0.363 593 H C 0.683 175.927 175.328 -0.139 0.000 1.148 593 H CA 1.306 57.297 56.048 -0.095 0.000 1.401 593 H CB 1.264 30.909 29.762 -0.195 0.000 1.461 593 H HN 0.846 nan 8.280 nan 0.000 0.588 594 R N 3.268 123.408 120.500 -0.600 0.000 2.439 594 R HA 0.398 4.737 4.340 -0.000 0.000 0.310 594 R C -1.686 174.273 176.300 -0.568 0.000 0.955 594 R CA -0.738 55.132 56.100 -0.382 0.000 0.853 594 R CB -0.119 30.037 30.300 -0.241 0.000 1.171 594 R HN 0.646 nan 8.270 nan 0.000 0.449 595 Y N 1.333 121.368 120.300 -0.443 0.000 2.353 595 Y HA 0.563 5.113 4.550 -0.000 0.000 0.340 595 Y C 0.700 176.361 175.900 -0.399 0.000 0.972 595 Y CA -0.643 57.134 58.100 -0.538 0.000 1.157 595 Y CB 1.846 39.596 38.460 -1.184 0.000 1.157 595 Y HN 0.813 nan 8.280 nan 0.000 0.495 596 S N 1.607 117.235 115.700 -0.119 0.000 2.661 596 S HA 0.831 5.301 4.470 -0.000 0.000 0.285 596 S C -1.102 173.467 174.600 -0.050 0.000 1.138 596 S CA -0.895 57.221 58.200 -0.138 0.000 0.855 596 S CB 2.135 65.217 63.200 -0.197 0.000 1.136 596 S HN 0.778 nan 8.310 nan 0.000 0.484 597 H N -2.226 116.784 119.070 -0.100 0.000 2.949 597 H HA 0.819 5.375 4.556 -0.000 0.000 0.310 597 H C -0.972 174.173 175.328 -0.305 0.000 1.405 597 H CA -0.511 55.457 56.048 -0.133 0.000 1.253 597 H CB 0.360 30.127 29.762 0.007 0.000 1.932 597 H HN 0.753 nan 8.280 nan 0.000 0.602 598 T N 1.213 115.802 114.554 0.057 0.000 2.779 598 T HA -0.141 4.209 4.350 -0.000 0.000 0.479 598 T C -1.497 173.065 174.700 -0.230 0.000 0.792 598 T CA 0.459 62.565 62.100 0.010 0.000 2.536 598 T CB -2.242 66.675 68.868 0.082 0.000 1.697 598 T HN 0.910 nan 8.240 nan 0.000 0.590 599 H N 1.513 120.630 119.070 0.078 0.000 2.476 599 H HA 0.527 5.083 4.556 -0.000 0.000 0.328 599 H C 0.308 175.665 175.328 0.049 0.000 1.073 599 H CA -0.947 55.133 56.048 0.054 0.000 1.229 599 H CB 0.984 30.773 29.762 0.046 0.000 1.432 599 H HN 0.532 nan 8.280 nan 0.000 0.477 600 Q N 1.715 121.596 119.800 0.136 0.000 2.243 600 Q HA 0.328 4.668 4.340 -0.000 0.000 0.252 600 Q C -0.728 175.326 176.000 0.090 0.000 0.909 600 Q CA -1.104 54.758 55.803 0.098 0.000 0.922 600 Q CB 1.315 30.100 28.738 0.079 0.000 1.215 600 Q HN 0.509 nan 8.270 nan 0.000 0.427 601 L N 2.939 124.197 121.223 0.059 0.000 2.407 601 L HA 0.256 4.596 4.340 -0.000 0.000 0.282 601 L C -0.964 175.902 176.870 -0.007 0.000 1.110 601 L CA 0.209 55.063 54.840 0.024 0.000 0.863 601 L CB -0.377 41.688 42.059 0.011 0.000 1.207 601 L HN 0.561 nan 8.230 nan 0.000 0.454 602 N N 6.614 125.291 118.700 -0.038 0.000 2.503 602 N HA 0.416 5.156 4.740 -0.000 0.000 0.267 602 N C -2.265 173.069 175.510 -0.293 0.000 1.214 602 N CA -0.880 52.078 53.050 -0.154 0.000 0.959 602 N CB 0.405 38.770 38.487 -0.203 0.000 1.142 602 N HN 0.529 nan 8.380 nan 0.000 0.455 603 P HA 0.132 nan 4.420 nan 0.000 0.284 603 P C -0.700 176.287 177.300 -0.522 0.000 1.292 603 P CA -0.417 62.483 63.100 -0.333 0.000 0.800 603 P CB 0.836 32.423 31.700 -0.188 0.000 1.188 604 D N 0.134 120.373 120.400 -0.269 0.000 2.383 604 D HA 0.053 4.693 4.640 -0.000 0.000 0.245 604 D C 0.957 177.192 176.300 -0.108 0.000 1.263 604 D CA -0.152 53.737 54.000 -0.186 0.000 0.936 604 D CB -0.436 40.322 40.800 -0.069 0.000 1.053 604 D HN 0.167 nan 8.370 nan 0.000 0.507 605 F N 2.285 122.254 119.950 0.033 0.000 2.154 605 F HA -0.248 4.279 4.527 -0.000 0.000 0.301 605 F C 2.063 177.877 175.800 0.024 0.000 1.087 605 F CA 0.252 58.271 58.000 0.032 0.000 1.274 605 F CB -0.033 38.943 39.000 -0.040 0.000 1.009 605 F HN 0.390 nan 8.300 nan 0.000 0.485 606 I N 0.404 121.082 120.570 0.179 0.000 2.233 606 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 606 I C 2.088 178.262 176.117 0.095 0.000 1.093 606 I CA 1.483 62.850 61.300 0.112 0.000 1.380 606 I CB -0.724 37.318 38.000 0.071 0.000 1.067 606 I HN -0.030 nan 8.210 nan 0.000 0.413 607 K N -0.244 120.200 120.400 0.072 0.000 2.148 607 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 607 K C 2.036 178.683 176.600 0.079 0.000 1.050 607 K CA 1.011 57.333 56.287 0.059 0.000 0.942 607 K CB -0.340 32.179 32.500 0.032 0.000 0.724 607 K HN 0.163 nan 8.250 nan 0.000 0.446 608 L N 1.201 122.489 121.223 0.110 0.000 1.994 608 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 608 L C 2.236 179.199 176.870 0.155 0.000 1.071 608 L CA 1.863 56.789 54.840 0.143 0.000 0.745 608 L CB -0.747 41.448 42.059 0.228 0.000 0.892 608 L HN 0.100 nan 8.230 nan 0.000 0.431 609 A N -0.443 122.481 122.820 0.173 0.000 1.873 609 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 609 A C 2.123 179.775 177.584 0.114 0.000 1.193 609 A CA 2.096 54.224 52.037 0.153 0.000 0.629 609 A CB -0.826 18.256 19.000 0.136 0.000 0.826 609 A HN 0.664 nan 8.150 nan 0.000 0.447 610 E N -0.264 119.993 120.200 0.095 0.000 2.077 610 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 610 E C 2.260 178.903 176.600 0.072 0.000 0.989 610 E CA 0.966 57.411 56.400 0.075 0.000 0.800 610 E CB -0.337 29.401 29.700 0.062 0.000 0.746 610 E HN 0.633 nan 8.360 nan 0.000 0.452 611 A N 1.163 124.028 122.820 0.075 0.000 1.972 611 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 611 A C 2.107 179.735 177.584 0.073 0.000 1.169 611 A CA 1.112 53.190 52.037 0.067 0.000 0.635 611 A CB -0.194 18.845 19.000 0.065 0.000 0.810 611 A HN 0.113 nan 8.150 nan 0.000 0.446 612 M N -1.923 117.730 119.600 0.089 0.000 2.506 612 M HA 0.103 4.583 4.480 -0.000 0.000 0.260 612 M C 1.492 177.843 176.300 0.085 0.000 1.104 612 M CA 1.244 56.599 55.300 0.092 0.000 1.112 612 M CB -0.560 32.108 32.600 0.115 0.000 1.401 612 M HN 0.789 nan 8.290 nan 0.000 0.473 613 G N 0.689 109.537 108.800 0.080 0.000 2.148 613 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.157 613 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.157 613 G C -0.360 174.585 174.900 0.074 0.000 1.012 613 G CA -0.383 44.760 45.100 0.072 0.000 0.677 613 G HN 0.316 nan 8.290 nan 0.000 0.506 614 L N -0.223 121.051 121.223 0.085 0.000 2.271 614 L HA 0.746 5.086 4.340 -0.000 0.000 0.265 614 L C 0.575 177.494 176.870 0.083 0.000 1.013 614 L CA -1.276 53.615 54.840 0.086 0.000 0.820 614 L CB 0.890 43.012 42.059 0.104 0.000 1.352 614 L HN 0.138 nan 8.230 nan 0.000 0.443 615 K N -0.247 120.203 120.400 0.083 0.000 2.205 615 K HA 0.646 4.966 4.320 -0.000 0.000 0.279 615 K C -0.446 176.210 176.600 0.093 0.000 1.027 615 K CA -0.311 56.024 56.287 0.081 0.000 0.932 615 K CB 0.910 33.457 32.500 0.078 0.000 1.032 615 K HN 0.810 nan 8.250 nan 0.000 0.466 616 G N 3.924 112.772 108.800 0.080 0.000 2.461 616 G HA2 0.620 4.580 3.960 -0.000 0.000 0.323 616 G HA3 0.620 4.580 3.960 -0.000 0.000 0.323 616 G C -1.308 173.626 174.900 0.057 0.000 1.229 616 G CA -0.729 44.416 45.100 0.074 0.000 0.941 616 G HN 0.534 nan 8.290 nan 0.000 0.477 617 L N 0.929 122.173 121.223 0.035 0.000 2.409 617 L HA 0.707 5.047 4.340 -0.000 0.000 0.262 617 L C -0.084 176.768 176.870 -0.029 0.000 0.992 617 L CA -0.985 53.862 54.840 0.012 0.000 0.817 617 L CB 2.928 45.001 42.059 0.023 0.000 1.350 617 L HN 0.558 nan 8.230 nan 0.000 0.411 618 R N 1.184 121.670 120.500 -0.023 0.000 2.744 618 R HA 0.852 5.192 4.340 -0.000 0.000 0.279 618 R C -2.002 174.274 176.300 -0.039 0.000 0.977 618 R CA -0.568 55.513 56.100 -0.032 0.000 0.906 618 R CB 2.551 32.851 30.300 -0.001 0.000 1.197 618 R HN 0.408 nan 8.270 nan 0.000 0.463 619 V N 4.231 124.115 119.914 -0.051 0.000 2.525 619 V HA 0.330 4.450 4.120 -0.000 0.000 0.299 619 V C -0.003 176.069 176.094 -0.037 0.000 1.034 619 V CA -0.584 61.688 62.300 -0.047 0.000 0.863 619 V CB 1.887 33.669 31.823 -0.068 0.000 0.999 619 V HN 0.894 nan 8.190 nan 0.000 0.423 620 K N 2.246 122.629 120.400 -0.027 0.000 2.399 620 K HA 0.355 4.675 4.320 -0.000 0.000 0.196 620 K C 0.125 176.710 176.600 -0.026 0.000 1.117 620 K CA 0.145 56.419 56.287 -0.022 0.000 0.965 620 K CB 0.829 33.320 32.500 -0.014 0.000 0.983 620 K HN 0.454 nan 8.250 nan 0.000 0.531 621 K N 0.877 121.261 120.400 -0.027 0.000 2.318 621 K HA 0.246 4.566 4.320 -0.000 0.000 0.249 621 K C 0.272 176.852 176.600 -0.034 0.000 0.942 621 K CA -0.388 55.882 56.287 -0.029 0.000 0.808 621 K CB 2.040 34.526 32.500 -0.023 0.000 1.189 621 K HN -0.067 nan 8.250 nan 0.000 0.428 622 Q N 1.261 121.038 119.800 -0.038 0.000 2.217 622 Q HA -0.223 4.117 4.340 -0.000 0.000 0.209 622 Q C 1.029 177.007 176.000 -0.037 0.000 0.988 622 Q CA 1.606 57.383 55.803 -0.043 0.000 0.878 622 Q CB 0.058 28.769 28.738 -0.045 0.000 0.909 622 Q HN 0.545 nan 8.270 nan 0.000 0.424 623 E N 0.876 121.058 120.200 -0.030 0.000 2.515 623 E HA -0.173 4.177 4.350 -0.000 0.000 0.201 623 E C 0.819 177.406 176.600 -0.023 0.000 1.071 623 E CA 0.997 57.382 56.400 -0.026 0.000 0.880 623 E CB -0.066 29.621 29.700 -0.021 0.000 0.828 623 E HN 0.722 nan 8.360 nan 0.000 0.540 624 E N -0.158 120.027 120.200 -0.025 0.000 2.641 624 E HA 0.060 4.410 4.350 -0.000 0.000 0.224 624 E C 1.674 178.259 176.600 -0.025 0.000 0.951 624 E CA -0.308 56.079 56.400 -0.021 0.000 1.102 624 E CB -0.277 29.412 29.700 -0.019 0.000 1.091 624 E HN 0.056 nan 8.360 nan 0.000 0.507 625 L N 2.462 123.665 121.223 -0.033 0.000 1.976 625 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 625 L C 1.717 178.571 176.870 -0.027 0.000 1.071 625 L CA 2.275 57.091 54.840 -0.039 0.000 0.746 625 L CB -0.462 41.568 42.059 -0.050 0.000 0.890 625 L HN 0.046 nan 8.230 nan 0.000 0.432 626 D N -0.076 120.309 120.400 -0.025 0.000 2.116 626 D HA -0.240 4.400 4.640 -0.000 0.000 0.193 626 D C 2.082 178.382 176.300 -0.001 0.000 0.998 626 D CA 1.780 55.770 54.000 -0.017 0.000 0.836 626 D CB -0.175 40.612 40.800 -0.023 0.000 0.951 626 D HN 0.541 nan 8.370 nan 0.000 0.449 627 A N 1.283 124.102 122.820 -0.002 0.000 1.898 627 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 627 A C 2.100 179.699 177.584 0.025 0.000 1.181 627 A CA 1.250 53.293 52.037 0.009 0.000 0.620 627 A CB -0.174 18.828 19.000 0.005 0.000 0.819 627 A HN 0.002 nan 8.150 nan 0.000 0.442 628 K N -0.073 120.338 120.400 0.017 0.000 2.097 628 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 628 K C 1.892 178.536 176.600 0.073 0.000 1.050 628 K CA 0.886 57.190 56.287 0.028 0.000 0.938 628 K CB -0.671 31.820 32.500 -0.015 0.000 0.718 628 K HN 0.545 nan 8.250 nan 0.000 0.442 629 L N 0.987 122.245 121.223 0.058 0.000 2.046 629 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 629 L C 2.377 179.352 176.870 0.175 0.000 1.077 629 L CA 1.452 56.368 54.840 0.128 0.000 0.747 629 L CB -0.320 41.781 42.059 0.070 0.000 0.896 629 L HN 0.188 nan 8.230 nan 0.000 0.432 630 K N -0.242 120.214 120.400 0.095 0.000 2.057 630 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 630 K C 2.019 178.668 176.600 0.082 0.000 1.049 630 K CA 1.458 57.787 56.287 0.070 0.000 0.931 630 K CB -0.136 32.385 32.500 0.035 0.000 0.714 630 K HN 0.299 nan 8.250 nan 0.000 0.440 631 E N 0.529 120.786 120.200 0.095 0.000 2.077 631 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 631 E C 1.881 178.564 176.600 0.139 0.000 0.989 631 E CA 0.815 57.271 56.400 0.093 0.000 0.800 631 E CB -0.097 29.653 29.700 0.084 0.000 0.746 631 E HN 0.198 nan 8.360 nan 0.000 0.452 632 F N 1.206 121.163 119.950 0.012 0.000 2.043 632 F HA -0.246 4.281 4.527 -0.000 0.000 0.297 632 F C 2.047 177.863 175.800 0.025 0.000 1.121 632 F CA 1.596 59.606 58.000 0.016 0.000 1.199 632 F CB -0.725 38.283 39.000 0.013 0.000 0.968 632 F HN -0.108 nan 8.300 nan 0.000 0.478 633 V N -0.450 119.413 119.914 -0.085 0.000 2.626 633 V HA -0.217 3.903 4.120 -0.000 0.000 0.252 633 V C 2.268 178.296 176.094 -0.109 0.000 1.067 633 V CA 1.940 64.124 62.300 -0.194 0.000 1.081 633 V CB -0.693 31.108 31.823 -0.038 0.000 0.686 633 V HN 0.396 nan 8.190 nan 0.000 0.468 634 S N -1.420 114.256 115.700 -0.039 0.000 2.478 634 S HA 0.000 4.470 4.470 -0.000 0.000 0.222 634 S C 1.068 175.656 174.600 -0.020 0.000 1.008 634 S CA 0.170 58.359 58.200 -0.020 0.000 0.928 634 S CB -0.051 63.153 63.200 0.006 0.000 0.781 634 S HN 0.588 nan 8.310 nan 0.000 0.518 635 T N 3.212 117.752 114.554 -0.023 0.000 2.934 635 T HA 0.059 4.409 4.350 -0.000 0.000 0.306 635 T C 0.015 174.702 174.700 -0.021 0.000 1.042 635 T CA 0.457 62.552 62.100 -0.008 0.000 1.145 635 T CB 0.372 69.247 68.868 0.012 0.000 0.982 635 T HN 0.181 nan 8.240 nan 0.000 0.544 636 K N 2.059 122.458 120.400 -0.002 0.000 2.234 636 K HA 0.499 4.819 4.320 -0.000 0.000 0.282 636 K C 0.583 177.187 176.600 0.007 0.000 1.039 636 K CA 0.117 56.404 56.287 -0.000 0.000 0.928 636 K CB 0.311 32.815 32.500 0.008 0.000 1.039 636 K HN 0.918 nan 8.250 nan 0.000 0.470 637 G N 3.701 112.505 108.800 0.007 0.000 2.661 637 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.685 637 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.685 637 G C -2.962 171.949 174.900 0.018 0.000 1.298 637 G CA -0.977 44.135 45.100 0.020 0.000 0.855 637 G HN 0.519 nan 8.290 nan 0.000 0.560 638 P HA 0.492 nan 4.420 nan 0.000 0.271 638 P C -0.411 176.928 177.300 0.065 0.000 1.216 638 P CA -0.011 63.118 63.100 0.049 0.000 0.776 638 P CB 1.846 33.589 31.700 0.071 0.000 0.881 639 V N 4.347 124.311 119.914 0.083 0.000 3.012 639 V HA 0.516 4.636 4.120 -0.000 0.000 0.307 639 V C -1.524 174.723 176.094 0.255 0.000 1.166 639 V CA -1.100 61.288 62.300 0.147 0.000 0.974 639 V CB 2.278 34.188 31.823 0.144 0.000 1.040 639 V HN 0.483 nan 8.190 nan 0.000 0.428 640 L N 6.198 127.544 121.223 0.204 0.000 2.341 640 L HA 0.782 5.122 4.340 -0.000 0.000 0.278 640 L C -1.575 175.302 176.870 0.012 0.000 1.005 640 L CA -0.768 54.140 54.840 0.114 0.000 0.818 640 L CB 1.625 43.691 42.059 0.012 0.000 1.259 640 L HN 0.769 nan 8.230 nan 0.000 0.418 641 L N 4.865 125.956 121.223 -0.221 0.000 2.343 641 L HA 0.491 4.831 4.340 -0.000 0.000 0.278 641 L C -0.683 175.952 176.870 -0.392 0.000 0.996 641 L CA -0.002 54.594 54.840 -0.406 0.000 0.831 641 L CB 1.715 43.203 42.059 -0.952 0.000 1.232 641 L HN 0.710 nan 8.230 nan 0.000 0.413 642 E N 4.305 124.359 120.200 -0.243 0.000 2.197 642 E HA 0.537 4.887 4.350 -0.000 0.000 0.281 642 E C -1.671 174.837 176.600 -0.153 0.000 0.995 642 E CA -0.716 55.559 56.400 -0.207 0.000 0.808 642 E CB 1.619 31.282 29.700 -0.061 0.000 1.093 642 E HN 0.547 nan 8.360 nan 0.000 0.394 643 V N 4.994 124.818 119.914 -0.150 0.000 2.350 643 V HA 0.160 4.280 4.120 -0.000 0.000 0.285 643 V C -0.368 175.689 176.094 -0.061 0.000 1.014 643 V CA -0.733 61.503 62.300 -0.107 0.000 0.831 643 V CB 1.323 33.072 31.823 -0.122 0.000 1.000 643 V HN 0.769 nan 8.190 nan 0.000 0.433 644 E N 3.155 123.334 120.200 -0.035 0.000 2.328 644 E HA 0.274 4.624 4.350 -0.000 0.000 0.265 644 E C -0.560 176.026 176.600 -0.024 0.000 1.057 644 E CA 0.080 56.473 56.400 -0.011 0.000 0.916 644 E CB 1.450 31.148 29.700 -0.004 0.000 0.993 644 E HN 0.408 nan 8.360 nan 0.000 0.446 645 V N 3.159 123.065 119.914 -0.013 0.000 2.919 645 V HA 0.076 4.196 4.120 -0.000 0.000 0.316 645 V C -0.298 175.788 176.094 -0.013 0.000 1.077 645 V CA -0.813 61.471 62.300 -0.026 0.000 0.977 645 V CB 2.328 34.137 31.823 -0.023 0.000 1.039 645 V HN 0.671 nan 8.190 nan 0.000 0.441 646 D N 2.667 123.045 120.400 -0.037 0.000 2.450 646 D HA 0.265 4.905 4.640 -0.000 0.000 0.247 646 D C 0.739 177.039 176.300 0.001 0.000 1.162 646 D CA 0.729 54.713 54.000 -0.027 0.000 0.879 646 D CB 1.429 42.197 40.800 -0.052 0.000 1.163 646 D HN 0.675 nan 8.370 nan 0.000 0.472 647 K N 2.499 122.904 120.400 0.009 0.000 2.458 647 K HA 0.049 4.369 4.320 -0.000 0.000 0.194 647 K C 0.778 177.364 176.600 -0.024 0.000 1.024 647 K CA 0.529 56.828 56.287 0.019 0.000 1.108 647 K CB -0.151 32.363 32.500 0.024 0.000 0.846 647 K HN 0.368 nan 8.250 nan 0.000 0.518 648 K N 0.400 120.779 120.400 -0.034 0.000 2.896 648 K HA 0.221 4.541 4.320 -0.000 0.000 0.210 648 K C -0.037 176.540 176.600 -0.038 0.000 1.116 648 K CA -0.164 56.073 56.287 -0.083 0.000 1.050 648 K CB 0.291 32.774 32.500 -0.029 0.000 0.812 648 K HN 0.322 nan 8.250 nan 0.000 0.462 649 V N 0.000 119.919 119.914 0.008 0.000 2.409 649 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 649 V CA 0.000 62.319 62.300 0.032 0.000 1.235 649 V CB 0.000 31.776 31.823 -0.077 0.000 1.184 649 V HN 0.000 nan 8.190 nan 0.000 0.556