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 2q26_1_E DATA FIRST_RESID 55 DATA SEQUENCE ALTRLSQPGL AFLKcAFAPP DFNTDPGKGI PDRFEGKVVS RKDVLNQSIS DATA SEQUENCE FTAGQDTFIL IAPTPGVAYW SASVPAGTFP TSATTFNPVN YPGFTSMFGT DATA SEQUENCE TSTSRSDQVS SFRYASMNVG IYPTSNLMQF AGSITVWKCP VKLSTVQFPV DATA SEQUENCE ATDPATSSLV HTLVGLDGVL AVGPDNFSES FIKGVFSQSA CNEPDFEFND DATA SEQUENCE ILEGIQTLPP ANVSLGSTGQ PFTMDSGAEA TSGVVGWGNM DTIVIRVSAP DATA SEQUENCE EGAVNSAILK AWScIEYRPN PNAMLYQFGH DSPPLDEVAL QEYRTVARSL DATA SEQUENCE PVAVIAAQN 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 55 A HA 0.000 nan 4.320 nan 0.000 0.244 55 A C 0.000 177.584 177.584 0.001 0.000 1.274 55 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 55 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 56 L N 2.381 123.605 121.223 0.002 0.000 2.939 56 L HA 0.285 4.625 4.340 -0.000 0.000 0.239 56 L C 1.463 178.334 176.870 0.002 0.000 1.325 56 L CA 1.707 56.549 54.840 0.004 0.000 1.170 56 L CB -0.394 41.669 42.059 0.007 0.000 1.538 56 L HN 0.833 nan 8.230 nan 0.000 0.452 57 T N -6.088 108.466 114.554 0.001 0.000 3.016 57 T HA 0.150 4.499 4.350 -0.000 0.000 0.271 57 T C 1.819 176.518 174.700 -0.002 0.000 0.968 57 T CA -0.329 61.770 62.100 -0.002 0.000 0.891 57 T CB 0.255 69.122 68.868 -0.002 0.000 1.149 57 T HN 0.021 nan 8.240 nan 0.000 0.524 58 R N 1.399 121.900 120.500 0.000 0.000 2.100 58 R HA 0.288 4.628 4.340 -0.000 0.000 0.220 58 R C 1.153 177.453 176.300 -0.000 0.000 1.091 58 R CA 0.437 56.537 56.100 0.000 0.000 0.986 58 R CB -0.461 29.841 30.300 0.003 0.000 0.888 58 R HN 0.502 nan 8.270 nan 0.000 0.444 59 L N 0.424 121.649 121.223 0.004 0.000 2.379 59 L HA 0.425 4.765 4.340 -0.000 0.000 0.269 59 L C 0.473 177.341 176.870 -0.003 0.000 1.084 59 L CA -0.588 54.254 54.840 0.004 0.000 0.802 59 L CB 0.500 42.571 42.059 0.021 0.000 1.175 59 L HN -0.038 nan 8.230 nan 0.000 0.448 60 S N 0.819 116.512 115.700 -0.011 0.000 2.603 60 S HA 0.094 4.564 4.470 -0.000 0.000 0.268 60 S C 0.956 175.547 174.600 -0.015 0.000 1.317 60 S CA -0.005 58.183 58.200 -0.019 0.000 1.012 60 S CB 1.383 64.564 63.200 -0.032 0.000 0.926 60 S HN 0.708 nan 8.310 nan 0.000 0.539 61 Q N 2.062 121.848 119.800 -0.023 0.000 2.012 61 Q HA -0.105 4.235 4.340 -0.000 0.000 0.211 61 Q C -0.663 175.323 176.000 -0.022 0.000 1.009 61 Q CA 2.989 58.775 55.803 -0.027 0.000 0.866 61 Q CB -1.424 27.291 28.738 -0.038 0.000 0.945 61 Q HN 0.761 nan 8.270 nan 0.000 0.414 62 P HA -0.145 nan 4.420 nan 0.000 0.215 62 P C 1.291 178.614 177.300 0.039 0.000 1.157 62 P CA 2.091 65.184 63.100 -0.011 0.000 0.868 62 P CB -0.531 31.147 31.700 -0.037 0.000 0.788 63 G N 0.536 109.344 108.800 0.014 0.000 2.505 63 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 63 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 63 G C 1.589 176.578 174.900 0.148 0.000 1.145 63 G CA 1.007 46.137 45.100 0.050 0.000 0.761 63 G HN 0.273 nan 8.290 nan 0.000 0.571 64 L N 1.205 122.475 121.223 0.079 0.000 1.973 64 L HA 0.252 4.592 4.340 -0.000 0.000 0.208 64 L C 3.163 180.069 176.870 0.061 0.000 1.073 64 L CA 2.307 57.186 54.840 0.065 0.000 0.746 64 L CB -1.037 41.029 42.059 0.011 0.000 0.891 64 L HN 0.241 nan 8.230 nan 0.000 0.433 65 A N -0.456 122.373 122.820 0.015 0.000 1.915 65 A HA -0.371 3.949 4.320 -0.000 0.000 0.220 65 A C 2.334 179.935 177.584 0.030 0.000 1.198 65 A CA 2.515 54.536 52.037 -0.028 0.000 0.647 65 A CB -1.570 17.409 19.000 -0.034 0.000 0.825 65 A HN 0.662 nan 8.150 nan 0.000 0.456 66 F N 0.244 120.184 119.950 -0.015 0.000 2.069 66 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 66 F C 1.937 177.813 175.800 0.128 0.000 1.113 66 F CA 2.049 60.060 58.000 0.018 0.000 1.214 66 F CB -0.418 38.560 39.000 -0.036 0.000 0.978 66 F HN 0.164 nan 8.300 nan 0.000 0.474 67 L N 0.059 121.384 121.223 0.170 0.000 2.127 67 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 67 L C 2.492 179.456 176.870 0.157 0.000 1.089 67 L CA 1.550 56.502 54.840 0.187 0.000 0.757 67 L CB -0.527 41.661 42.059 0.215 0.000 0.899 67 L HN 0.184 nan 8.230 nan 0.000 0.434 68 K N -1.215 119.213 120.400 0.047 0.000 1.980 68 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 68 K C 2.170 178.781 176.600 0.019 0.000 1.043 68 K CA 1.509 57.810 56.287 0.023 0.000 0.938 68 K CB -0.626 31.759 32.500 -0.191 0.000 0.724 68 K HN 0.286 nan 8.250 nan 0.000 0.438 69 c N 1.112 119.672 118.600 -0.066 0.000 2.396 69 c HA -0.222 4.348 4.570 -0.000 0.000 0.279 69 c C 2.742 176.799 174.090 -0.056 0.000 1.229 69 c CA 1.304 57.594 56.329 -0.063 0.000 1.801 69 c CB -0.921 41.550 42.510 -0.065 0.000 2.050 69 c HN 0.555 nan 8.230 nan 0.000 0.491 70 A N -1.794 120.973 122.820 -0.087 0.000 1.935 70 A HA 0.186 4.506 4.320 -0.000 0.000 0.214 70 A C 1.475 178.855 177.584 -0.340 0.000 1.178 70 A CA 1.120 53.032 52.037 -0.208 0.000 0.640 70 A CB -0.447 18.394 19.000 -0.265 0.000 0.825 70 A HN 0.576 nan 8.150 nan 0.000 0.447 71 F N -1.582 118.365 119.950 -0.004 0.000 2.682 71 F HA 0.600 5.127 4.527 -0.000 0.000 0.308 71 F C 0.722 176.574 175.800 0.087 0.000 1.093 71 F CA 0.214 58.238 58.000 0.040 0.000 1.244 71 F CB 0.763 39.770 39.000 0.012 0.000 1.052 71 F HN 0.175 nan 8.300 nan 0.000 0.573 72 A N 0.151 123.078 122.820 0.179 0.000 2.100 72 A HA 0.406 4.726 4.320 -0.000 0.000 0.249 72 A C -2.487 175.062 177.584 -0.058 0.000 1.447 72 A CA -0.477 51.583 52.037 0.039 0.000 1.397 72 A CB -0.406 18.608 19.000 0.024 0.000 1.118 72 A HN -0.005 nan 8.150 nan 0.000 0.764 73 P HA 0.089 nan 4.420 nan 0.000 0.240 73 P C -1.561 175.469 177.300 -0.450 0.000 1.190 73 P CA 0.575 63.453 63.100 -0.371 0.000 0.781 73 P CB -0.123 31.214 31.700 -0.605 0.000 0.931 74 P HA 0.070 nan 4.420 nan 0.000 0.255 74 P C 0.168 177.308 177.300 -0.266 0.000 1.248 74 P CA 0.738 63.621 63.100 -0.363 0.000 0.807 74 P CB 0.117 31.595 31.700 -0.371 0.000 1.150 75 D N -1.265 118.937 120.400 -0.330 0.000 2.339 75 D HA 0.179 4.819 4.640 -0.000 0.000 0.217 75 D C 0.175 175.996 176.300 -0.798 0.000 1.050 75 D CA 0.505 54.187 54.000 -0.530 0.000 0.856 75 D CB 0.001 40.417 40.800 -0.640 0.000 0.922 75 D HN 0.099 nan 8.370 nan 0.000 0.518 76 F N -1.058 118.823 119.950 -0.115 0.000 2.661 76 F HA 0.333 4.860 4.527 -0.000 0.000 0.347 76 F C 1.254 177.025 175.800 -0.049 0.000 1.086 76 F CA -1.088 56.867 58.000 -0.075 0.000 1.016 76 F CB 0.745 39.702 39.000 -0.071 0.000 1.368 76 F HN -0.431 nan 8.300 nan 0.000 0.505 77 N N -0.828 117.991 118.700 0.198 0.000 2.254 77 N HA 0.120 4.859 4.740 -0.000 0.000 0.190 77 N C -0.975 174.589 175.510 0.090 0.000 1.107 77 N CA 0.483 53.593 53.050 0.101 0.000 0.869 77 N CB 0.614 39.143 38.487 0.069 0.000 0.983 77 N HN 0.571 nan 8.380 nan 0.000 0.487 78 T N -1.377 113.239 114.554 0.103 0.000 3.792 78 T HA 0.036 4.386 4.350 -0.000 0.000 0.438 78 T C -2.116 172.584 174.700 -0.000 0.000 1.442 78 T CA -0.622 61.508 62.100 0.050 0.000 1.117 78 T CB 0.182 69.063 68.868 0.022 0.000 1.411 78 T HN -0.028 nan 8.240 nan 0.000 0.453 79 D N 3.701 124.095 120.400 -0.008 0.000 2.571 79 D HA 0.289 4.929 4.640 -0.000 0.000 0.239 79 D C -2.182 174.090 176.300 -0.047 0.000 1.267 79 D CA -1.139 52.818 54.000 -0.071 0.000 0.823 79 D CB 0.555 41.302 40.800 -0.089 0.000 1.056 79 D HN 0.358 nan 8.370 nan 0.000 0.494 80 P HA 0.041 nan 4.420 nan 0.000 0.235 80 P C 0.539 177.815 177.300 -0.039 0.000 1.080 80 P CA 0.393 63.477 63.100 -0.027 0.000 1.096 80 P CB 0.164 31.839 31.700 -0.042 0.000 1.085 81 G N 2.461 111.251 108.800 -0.018 0.000 2.590 81 G HA2 0.035 3.995 3.960 -0.000 0.000 0.276 81 G HA3 0.035 3.995 3.960 -0.000 0.000 0.276 81 G C 0.651 175.540 174.900 -0.019 0.000 1.337 81 G CA -0.070 45.022 45.100 -0.015 0.000 1.030 81 G HN 0.312 nan 8.290 nan 0.000 0.534 82 K N -1.544 118.854 120.400 -0.004 0.000 2.477 82 K HA 0.421 4.740 4.320 -0.000 0.000 0.208 82 K C 0.561 177.249 176.600 0.146 0.000 1.117 82 K CA 0.831 57.079 56.287 -0.066 0.000 1.039 82 K CB 0.536 32.946 32.500 -0.150 0.000 0.937 82 K HN 1.343 nan 8.250 nan 0.000 0.570 83 G N 0.305 109.204 108.800 0.166 0.000 2.373 83 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.634 83 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.634 83 G C -1.276 173.690 174.900 0.110 0.000 1.267 83 G CA -0.703 44.504 45.100 0.178 0.000 1.008 83 G HN 0.023 nan 8.290 nan 0.000 0.497 84 I N 2.532 123.091 120.570 -0.017 0.000 2.312 84 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 84 I C -1.195 174.669 176.117 -0.422 0.000 1.031 84 I CA -1.959 59.132 61.300 -0.349 0.000 1.293 84 I CB 1.993 39.691 38.000 -0.503 0.000 1.403 84 I HN 0.327 nan 8.210 nan 0.000 0.484 85 P HA -0.073 nan 4.420 nan 0.000 0.299 85 P C -0.555 176.517 177.300 -0.380 0.000 1.515 85 P CA 0.268 63.123 63.100 -0.409 0.000 0.770 85 P CB -0.477 30.959 31.700 -0.439 0.000 1.614 86 D N -1.067 119.109 120.400 -0.373 0.000 2.326 86 D HA 0.118 4.758 4.640 -0.000 0.000 0.251 86 D C 1.330 177.561 176.300 -0.116 0.000 1.023 86 D CA -0.840 53.010 54.000 -0.250 0.000 0.966 86 D CB 1.201 41.840 40.800 -0.269 0.000 1.156 86 D HN -0.254 nan 8.370 nan 0.000 0.494 87 R N -0.402 120.063 120.500 -0.059 0.000 2.312 87 R HA -0.239 4.101 4.340 -0.000 0.000 0.270 87 R C 0.708 177.031 176.300 0.038 0.000 1.165 87 R CA 1.016 57.111 56.100 -0.007 0.000 1.006 87 R CB -0.970 29.341 30.300 0.020 0.000 0.893 87 R HN 0.530 nan 8.270 nan 0.000 0.479 88 F N 2.001 121.897 119.950 -0.090 0.000 2.456 88 F HA 0.129 4.656 4.527 -0.000 0.000 0.358 88 F C -0.262 175.522 175.800 -0.026 0.000 1.095 88 F CA -0.551 57.417 58.000 -0.052 0.000 1.216 88 F CB 0.649 39.600 39.000 -0.083 0.000 1.125 88 F HN -0.115 nan 8.300 nan 0.000 0.549 89 E N 4.201 123.855 120.200 -0.911 0.000 2.283 89 E HA 0.605 4.955 4.350 -0.000 0.000 0.258 89 E C -0.625 175.464 176.600 -0.852 0.000 0.893 89 E CA -0.825 55.108 56.400 -0.779 0.000 0.798 89 E CB 1.566 31.076 29.700 -0.317 0.000 1.242 89 E HN 0.919 nan 8.360 nan 0.000 0.414 90 G N 2.077 110.349 108.800 -0.880 0.000 2.519 90 G HA2 0.151 4.111 3.960 -0.000 0.000 0.292 90 G HA3 0.151 4.111 3.960 -0.000 0.000 0.292 90 G C -1.122 173.717 174.900 -0.101 0.000 1.507 90 G CA -0.976 43.957 45.100 -0.279 0.000 0.806 90 G HN 0.191 nan 8.290 nan 0.000 0.523 91 K N 0.182 120.570 120.400 -0.019 0.000 2.466 91 K HA 0.289 4.609 4.320 -0.000 0.000 0.278 91 K C 0.336 176.900 176.600 -0.059 0.000 1.048 91 K CA 0.489 56.718 56.287 -0.096 0.000 1.088 91 K CB 0.739 33.131 32.500 -0.179 0.000 0.884 91 K HN 0.919 nan 8.250 nan 0.000 0.478 92 V N 0.289 120.097 119.914 -0.177 0.000 3.114 92 V HA 0.573 4.693 4.120 -0.000 0.000 0.308 92 V C -0.875 175.057 176.094 -0.270 0.000 1.168 92 V CA -1.014 61.213 62.300 -0.122 0.000 1.015 92 V CB 2.297 34.131 31.823 0.018 0.000 1.050 92 V HN 0.301 nan 8.190 nan 0.000 0.433 93 V N 2.138 122.008 119.914 -0.074 0.000 2.513 93 V HA 0.609 4.729 4.120 -0.000 0.000 0.299 93 V C 0.263 176.407 176.094 0.083 0.000 1.035 93 V CA -0.140 62.145 62.300 -0.024 0.000 0.889 93 V CB 1.852 33.723 31.823 0.080 0.000 0.988 93 V HN 1.054 nan 8.190 nan 0.000 0.440 94 S N 4.722 120.500 115.700 0.131 0.000 2.429 94 S HA 0.536 5.006 4.470 -0.000 0.000 0.302 94 S C -0.273 174.415 174.600 0.148 0.000 1.115 94 S CA -0.542 57.761 58.200 0.172 0.000 1.095 94 S CB 0.292 63.660 63.200 0.279 0.000 0.987 94 S HN 0.671 nan 8.310 nan 0.000 0.474 95 R N 3.203 123.777 120.500 0.123 0.000 2.514 95 R HA 0.375 4.714 4.340 -0.000 0.000 0.301 95 R C -0.854 175.463 176.300 0.028 0.000 0.962 95 R CA -0.625 55.535 56.100 0.100 0.000 0.882 95 R CB 0.980 31.403 30.300 0.204 0.000 1.143 95 R HN 0.466 nan 8.270 nan 0.000 0.452 96 K N 3.619 124.024 120.400 0.009 0.000 2.414 96 K HA 0.146 4.466 4.320 -0.000 0.000 0.251 96 K C -1.139 175.417 176.600 -0.074 0.000 1.037 96 K CA -0.560 55.723 56.287 -0.006 0.000 0.980 96 K CB 0.735 33.258 32.500 0.038 0.000 1.280 96 K HN 0.513 nan 8.250 nan 0.000 0.451 97 D N 2.500 122.769 120.400 -0.218 0.000 2.351 97 D HA 0.165 4.805 4.640 -0.000 0.000 0.251 97 D C -0.746 175.208 176.300 -0.577 0.000 1.137 97 D CA 0.104 53.799 54.000 -0.509 0.000 0.879 97 D CB 1.648 41.902 40.800 -0.910 0.000 1.181 97 D HN 0.136 nan 8.370 nan 0.000 0.448 98 V N 3.845 123.571 119.914 -0.313 0.000 2.655 98 V HA 0.226 4.346 4.120 -0.000 0.000 0.301 98 V C -0.698 175.473 176.094 0.128 0.000 1.082 98 V CA -0.844 61.416 62.300 -0.067 0.000 0.899 98 V CB 2.166 33.992 31.823 0.006 0.000 1.014 98 V HN 0.310 nan 8.190 nan 0.000 0.429 99 L N 4.343 125.688 121.223 0.205 0.000 2.346 99 L HA 0.671 5.011 4.340 -0.000 0.000 0.276 99 L C -0.351 176.495 176.870 -0.040 0.000 1.006 99 L CA -0.017 54.895 54.840 0.121 0.000 0.817 99 L CB 1.840 43.958 42.059 0.097 0.000 1.272 99 L HN 0.739 nan 8.230 nan 0.000 0.421 100 N N 2.969 121.662 118.700 -0.011 0.000 2.682 100 N HA 0.365 5.105 4.740 -0.000 0.000 0.252 100 N C -1.283 174.226 175.510 -0.000 0.000 1.081 100 N CA -0.490 52.544 53.050 -0.026 0.000 0.844 100 N CB 0.616 39.093 38.487 -0.017 0.000 1.167 100 N HN 0.652 nan 8.380 nan 0.000 0.523 101 Q N 1.492 121.295 119.800 0.005 0.000 2.309 101 Q HA 0.444 4.784 4.340 -0.000 0.000 0.264 101 Q C -0.901 175.112 176.000 0.022 0.000 1.008 101 Q CA -0.714 55.106 55.803 0.027 0.000 0.853 101 Q CB 1.512 30.304 28.738 0.090 0.000 1.314 101 Q HN 0.579 nan 8.270 nan 0.000 0.448 102 S N 3.295 119.006 115.700 0.019 0.000 2.508 102 S HA 0.743 5.213 4.470 -0.000 0.000 0.284 102 S C -0.237 174.356 174.600 -0.011 0.000 1.192 102 S CA -0.687 57.526 58.200 0.022 0.000 1.070 102 S CB 0.553 63.766 63.200 0.021 0.000 1.004 102 S HN 0.602 nan 8.310 nan 0.000 0.493 103 I N 2.135 122.692 120.570 -0.022 0.000 2.498 103 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 103 I C -0.601 175.419 176.117 -0.161 0.000 1.032 103 I CA -0.624 60.560 61.300 -0.194 0.000 1.073 103 I CB 2.513 40.252 38.000 -0.435 0.000 1.251 103 I HN 0.654 nan 8.210 nan 0.000 0.426 104 S N 6.136 121.710 115.700 -0.209 0.000 2.516 104 S HA 0.461 4.931 4.470 -0.000 0.000 0.268 104 S C -0.419 174.092 174.600 -0.148 0.000 1.251 104 S CA -0.544 57.620 58.200 -0.061 0.000 1.153 104 S CB -0.099 63.092 63.200 -0.015 0.000 1.009 104 S HN 0.254 nan 8.310 nan 0.000 0.479 105 F N 2.596 122.547 119.950 0.003 0.000 2.578 105 F HA 0.130 4.657 4.527 -0.000 0.000 0.381 105 F C 1.553 177.322 175.800 -0.052 0.000 1.069 105 F CA -0.437 57.539 58.000 -0.040 0.000 1.231 105 F CB -0.052 38.877 39.000 -0.119 0.000 1.086 105 F HN 0.280 nan 8.300 nan 0.000 0.564 106 T N 1.902 116.505 114.554 0.082 0.000 2.814 106 T HA 0.543 4.893 4.350 -0.000 0.000 0.297 106 T C 0.358 175.081 174.700 0.038 0.000 0.956 106 T CA -0.926 61.199 62.100 0.042 0.000 1.123 106 T CB 0.912 69.791 68.868 0.018 0.000 0.902 106 T HN 0.797 nan 8.240 nan 0.000 0.528 107 A N 2.404 125.235 122.820 0.018 0.000 2.520 107 A HA 0.505 4.825 4.320 -0.000 0.000 0.235 107 A C 1.716 179.302 177.584 0.003 0.000 1.065 107 A CA 0.165 52.204 52.037 0.002 0.000 0.764 107 A CB -1.019 17.979 19.000 -0.003 0.000 1.002 107 A HN 2.071 nan 8.150 nan 0.000 0.502 108 G N 0.167 108.964 108.800 -0.004 0.000 2.184 108 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.264 108 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.264 108 G C 0.172 175.076 174.900 0.007 0.000 0.975 108 G CA 0.718 45.818 45.100 -0.001 0.000 0.642 108 G HN 0.952 nan 8.290 nan 0.000 0.536 109 Q N -0.046 119.764 119.800 0.017 0.000 2.399 109 Q HA 0.565 4.905 4.340 -0.000 0.000 0.276 109 Q C -1.613 174.416 176.000 0.047 0.000 1.098 109 Q CA -0.759 55.064 55.803 0.035 0.000 0.827 109 Q CB 1.835 30.599 28.738 0.044 0.000 1.386 109 Q HN 0.188 nan 8.270 nan 0.000 0.443 110 D N 1.329 121.778 120.400 0.082 0.000 2.414 110 D HA 0.278 4.918 4.640 -0.000 0.000 0.232 110 D C -0.836 175.593 176.300 0.215 0.000 1.070 110 D CA -0.070 53.988 54.000 0.098 0.000 0.839 110 D CB 1.310 42.184 40.800 0.122 0.000 1.079 110 D HN 0.207 nan 8.370 nan 0.000 0.521 111 T N 2.094 116.751 114.554 0.173 0.000 2.897 111 T HA 0.347 4.697 4.350 -0.000 0.000 0.294 111 T C -0.174 174.653 174.700 0.211 0.000 1.004 111 T CA -0.074 62.185 62.100 0.265 0.000 1.106 111 T CB 0.379 69.453 68.868 0.343 0.000 0.949 111 T HN 0.069 nan 8.240 nan 0.000 0.520 112 F N 2.216 122.269 119.950 0.172 0.000 2.449 112 F HA 0.551 5.077 4.527 -0.000 0.000 0.342 112 F C 0.089 176.055 175.800 0.276 0.000 1.127 112 F CA -1.170 56.958 58.000 0.214 0.000 0.975 112 F CB 1.013 40.201 39.000 0.313 0.000 1.146 112 F HN 0.323 nan 8.300 nan 0.000 0.444 113 I N 5.071 125.761 120.570 0.200 0.000 2.404 113 I HA 0.406 4.576 4.170 -0.000 0.000 0.293 113 I C -0.912 175.238 176.117 0.055 0.000 0.992 113 I CA -0.694 60.719 61.300 0.189 0.000 1.149 113 I CB 1.737 39.779 38.000 0.069 0.000 1.315 113 I HN 0.329 nan 8.210 nan 0.000 0.446 114 L N 6.608 127.877 121.223 0.078 0.000 2.313 114 L HA 0.504 4.844 4.340 -0.000 0.000 0.283 114 L C -0.618 176.304 176.870 0.087 0.000 1.013 114 L CA -0.774 54.046 54.840 -0.033 0.000 0.816 114 L CB 1.880 43.815 42.059 -0.207 0.000 1.236 114 L HN 0.406 nan 8.230 nan 0.000 0.419 115 I N 3.404 123.977 120.570 0.005 0.000 2.347 115 I HA 0.462 4.631 4.170 -0.000 0.000 0.283 115 I C 0.435 176.523 176.117 -0.048 0.000 1.058 115 I CA -0.048 61.267 61.300 0.025 0.000 1.202 115 I CB 0.844 38.826 38.000 -0.031 0.000 1.386 115 I HN 0.575 nan 8.210 nan 0.000 0.475 116 A N 9.193 131.984 122.820 -0.048 0.000 2.330 116 A HA 0.832 5.152 4.320 -0.000 0.000 0.329 116 A C -2.302 175.040 177.584 -0.403 0.000 1.135 116 A CA -1.477 50.378 52.037 -0.302 0.000 0.817 116 A CB 1.178 19.896 19.000 -0.469 0.000 1.269 116 A HN 0.461 nan 8.150 nan 0.000 0.469 117 P HA 0.070 nan 4.420 nan 0.000 0.231 117 P C -0.216 176.775 177.300 -0.514 0.000 1.756 117 P CA 0.377 62.923 63.100 -0.923 0.000 0.990 117 P CB -0.909 30.137 31.700 -1.090 0.000 1.973 118 T N -0.876 113.593 114.554 -0.141 0.000 3.042 118 T HA 0.345 4.695 4.350 -0.000 0.000 0.356 118 T C -2.583 172.225 174.700 0.180 0.000 1.233 118 T CA -2.950 59.180 62.100 0.049 0.000 1.038 118 T CB 0.318 69.317 68.868 0.217 0.000 1.089 118 T HN 0.028 nan 8.240 nan 0.000 0.531 119 P HA 0.011 nan 4.420 nan 0.000 0.265 119 P C 1.313 178.767 177.300 0.257 0.000 1.151 119 P CA 1.602 64.703 63.100 0.002 0.000 0.755 119 P CB -0.022 31.411 31.700 -0.445 0.000 0.756 120 G N 1.293 110.395 108.800 0.504 0.000 2.320 120 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.242 120 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.242 120 G C -0.052 175.153 174.900 0.508 0.000 1.033 120 G CA 0.145 45.666 45.100 0.701 0.000 0.620 120 G HN 0.617 nan 8.290 nan 0.000 0.517 121 V N 1.671 121.728 119.914 0.238 0.000 2.370 121 V HA 0.696 4.816 4.120 -0.000 0.000 0.283 121 V C 1.462 177.391 176.094 -0.275 0.000 1.023 121 V CA 0.337 62.545 62.300 -0.152 0.000 0.857 121 V CB 0.961 32.543 31.823 -0.403 0.000 0.985 121 V HN 0.832 nan 8.190 nan 0.000 0.443 122 A N 5.395 127.788 122.820 -0.711 0.000 1.841 122 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 122 A C 0.710 178.154 177.584 -0.234 0.000 1.199 122 A CA 2.034 53.499 52.037 -0.953 0.000 0.621 122 A CB -0.216 18.199 19.000 -0.974 0.000 0.835 122 A HN 1.146 nan 8.150 nan 0.000 0.445 123 Y N -5.806 114.282 120.300 -0.353 0.000 2.625 123 Y HA 0.622 5.172 4.550 -0.000 0.000 0.338 123 Y C -1.792 174.034 175.900 -0.123 0.000 1.123 123 Y CA -2.333 55.697 58.100 -0.116 0.000 1.046 123 Y CB 0.376 38.778 38.460 -0.097 0.000 1.299 123 Y HN 0.159 nan 8.280 nan 0.000 0.464 124 W N 1.872 123.154 121.300 -0.031 0.000 2.702 124 W HA 0.757 5.417 4.660 -0.000 0.000 0.331 124 W C -0.601 176.022 176.519 0.173 0.000 1.049 124 W CA -0.570 56.744 57.345 -0.051 0.000 1.230 124 W CB 2.171 31.620 29.460 -0.018 0.000 1.408 124 W HN 0.800 nan 8.180 nan 0.000 0.492 125 S N 1.192 117.171 115.700 0.465 0.000 2.704 125 S HA 1.002 5.472 4.470 -0.000 0.000 0.296 125 S C -0.748 174.136 174.600 0.472 0.000 1.138 125 S CA -0.585 57.943 58.200 0.547 0.000 0.875 125 S CB 2.305 65.746 63.200 0.402 0.000 1.151 125 S HN 1.306 nan 8.310 nan 0.000 0.500 126 A N 0.581 123.573 122.820 0.286 0.000 2.583 126 A HA 0.748 5.068 4.320 -0.000 0.000 0.292 126 A C -0.758 176.833 177.584 0.011 0.000 1.045 126 A CA -0.356 51.622 52.037 -0.098 0.000 0.672 126 A CB 0.658 19.168 19.000 -0.817 0.000 1.283 126 A HN 2.004 nan 8.150 nan 0.000 0.419 127 S N -0.274 115.397 115.700 -0.049 0.000 2.542 127 S HA 0.871 5.341 4.470 -0.000 0.000 0.293 127 S C -0.879 173.698 174.600 -0.038 0.000 1.089 127 S CA -0.658 57.563 58.200 0.035 0.000 0.961 127 S CB 1.604 64.834 63.200 0.050 0.000 1.062 127 S HN 2.084 nan 8.310 nan 0.000 0.483 128 V N 2.210 122.130 119.914 0.009 0.000 3.040 128 V HA 0.706 4.826 4.120 -0.000 0.000 0.312 128 V C -2.510 173.591 176.094 0.010 0.000 1.115 128 V CA -2.447 59.831 62.300 -0.038 0.000 0.998 128 V CB 2.417 34.169 31.823 -0.118 0.000 1.042 128 V HN 0.940 nan 8.190 nan 0.000 0.433 129 P HA 0.126 nan 4.420 nan 0.000 0.269 129 P C -0.521 176.790 177.300 0.019 0.000 1.217 129 P CA 0.076 63.182 63.100 0.011 0.000 0.783 129 P CB 0.499 32.202 31.700 0.006 0.000 0.898 130 A N 1.336 124.165 122.820 0.016 0.000 2.587 130 A HA 0.339 4.659 4.320 -0.000 0.000 0.235 130 A C 1.471 179.064 177.584 0.016 0.000 1.044 130 A CA 0.808 52.853 52.037 0.013 0.000 0.754 130 A CB -1.667 17.336 19.000 0.005 0.000 0.968 130 A HN 0.949 nan 8.150 nan 0.000 0.509 131 G N 2.311 111.115 108.800 0.007 0.000 2.221 131 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.265 131 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.265 131 G C 0.248 175.177 174.900 0.048 0.000 1.041 131 G CA 0.696 45.810 45.100 0.023 0.000 0.807 131 G HN 1.528 nan 8.290 nan 0.000 0.502 132 T N -1.381 113.168 114.554 -0.010 0.000 2.742 132 T HA 0.835 5.185 4.350 -0.000 0.000 0.282 132 T C -0.777 173.835 174.700 -0.147 0.000 1.025 132 T CA -0.714 61.418 62.100 0.053 0.000 1.020 132 T CB 1.936 70.827 68.868 0.039 0.000 1.317 132 T HN 0.321 nan 8.240 nan 0.000 0.538 133 F N 0.014 119.945 119.950 -0.032 0.000 2.626 133 F HA 0.554 5.081 4.527 -0.000 0.000 0.311 133 F C -2.512 173.125 175.800 -0.272 0.000 1.088 133 F CA -2.288 55.577 58.000 -0.224 0.000 0.949 133 F CB 1.241 40.232 39.000 -0.014 0.000 1.322 133 F HN 0.284 nan 8.300 nan 0.000 0.461 134 P HA 0.154 nan 4.420 nan 0.000 0.267 134 P C -0.584 176.770 177.300 0.089 0.000 1.195 134 P CA 0.290 63.283 63.100 -0.178 0.000 0.773 134 P CB 0.442 32.012 31.700 -0.217 0.000 0.837 135 T N -3.574 111.025 114.554 0.074 0.000 2.762 135 T HA 0.269 4.619 4.350 -0.000 0.000 0.301 135 T C 1.041 175.808 174.700 0.111 0.000 1.299 135 T CA -0.291 61.878 62.100 0.116 0.000 1.005 135 T CB 0.519 69.422 68.868 0.059 0.000 1.377 135 T HN 0.155 nan 8.240 nan 0.000 0.504 136 S N 0.949 116.703 115.700 0.091 0.000 2.434 136 S HA -0.295 4.175 4.470 -0.000 0.000 0.250 136 S C 2.357 176.989 174.600 0.053 0.000 1.102 136 S CA 1.796 60.039 58.200 0.072 0.000 1.104 136 S CB -1.385 61.838 63.200 0.038 0.000 0.957 136 S HN 1.226 nan 8.310 nan 0.000 0.456 137 A N 1.693 124.527 122.820 0.023 0.000 1.972 137 A HA 0.074 4.394 4.320 -0.000 0.000 0.219 137 A C 1.572 179.131 177.584 -0.041 0.000 1.169 137 A CA 1.387 53.419 52.037 -0.007 0.000 0.635 137 A CB -1.032 17.957 19.000 -0.018 0.000 0.810 137 A HN 0.686 nan 8.150 nan 0.000 0.446 138 T N -1.948 112.561 114.554 -0.076 0.000 2.909 138 T HA 0.555 4.905 4.350 -0.000 0.000 0.286 138 T C -0.363 174.212 174.700 -0.208 0.000 1.002 138 T CA -0.283 61.695 62.100 -0.204 0.000 1.074 138 T CB 1.473 70.113 68.868 -0.379 0.000 0.984 138 T HN 0.093 nan 8.240 nan 0.000 0.495 139 T N 2.153 116.548 114.554 -0.264 0.000 2.879 139 T HA 0.493 4.843 4.350 -0.000 0.000 0.290 139 T C -0.802 173.767 174.700 -0.218 0.000 0.993 139 T CA -0.545 61.471 62.100 -0.139 0.000 0.975 139 T CB 0.575 69.436 68.868 -0.012 0.000 0.981 139 T HN 0.523 nan 8.240 nan 0.000 0.439 140 F N 2.985 122.933 119.950 -0.003 0.000 2.410 140 F HA 0.395 4.921 4.527 -0.000 0.000 0.348 140 F C 1.123 177.076 175.800 0.255 0.000 1.106 140 F CA -0.579 57.468 58.000 0.079 0.000 1.163 140 F CB 0.908 39.938 39.000 0.050 0.000 1.129 140 F HN 0.400 nan 8.300 nan 0.000 0.516 141 N N 4.593 123.503 118.700 0.349 0.000 2.384 141 N HA 0.436 5.176 4.740 -0.000 0.000 0.301 141 N C -2.853 172.673 175.510 0.027 0.000 1.133 141 N CA -1.409 51.756 53.050 0.192 0.000 0.853 141 N CB 2.203 40.708 38.487 0.030 0.000 1.241 141 N HN 0.218 nan 8.380 nan 0.000 0.502 142 P HA 0.329 nan 4.420 nan 0.000 0.287 142 P C -0.970 175.909 177.300 -0.702 0.000 1.279 142 P CA -0.519 62.057 63.100 -0.872 0.000 0.867 142 P CB 1.705 32.445 31.700 -1.599 0.000 1.127 143 V N 2.440 121.828 119.914 -0.877 0.000 2.340 143 V HA 0.236 4.356 4.120 -0.000 0.000 0.277 143 V C 0.551 176.237 176.094 -0.679 0.000 1.017 143 V CA -0.650 61.203 62.300 -0.745 0.000 0.820 143 V CB 0.042 31.209 31.823 -1.092 0.000 1.028 143 V HN 0.606 nan 8.190 nan 0.000 0.436 144 N N 3.035 121.433 118.700 -0.503 0.000 2.463 144 N HA 0.514 5.254 4.740 -0.000 0.000 0.270 144 N C -0.534 174.857 175.510 -0.198 0.000 1.205 144 N CA -0.877 51.938 53.050 -0.392 0.000 0.974 144 N CB 1.086 39.356 38.487 -0.361 0.000 1.197 144 N HN 0.417 nan 8.380 nan 0.000 0.504 145 Y N -0.085 120.203 120.300 -0.019 0.000 2.385 145 Y HA 0.098 4.648 4.550 -0.000 0.000 0.346 145 Y C -1.470 174.461 175.900 0.052 0.000 1.270 145 Y CA -1.277 56.842 58.100 0.032 0.000 1.472 145 Y CB 0.333 38.841 38.460 0.080 0.000 1.354 145 Y HN 0.406 nan 8.280 nan 0.000 0.611 146 P HA 0.074 nan 4.420 nan 0.000 0.274 146 P C 0.375 177.758 177.300 0.138 0.000 1.237 146 P CA 0.659 63.844 63.100 0.142 0.000 0.793 146 P CB 0.944 32.702 31.700 0.097 0.000 0.977 147 G N 1.086 109.947 108.800 0.103 0.000 2.162 147 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.260 147 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.260 147 G C 0.629 175.558 174.900 0.049 0.000 0.976 147 G CA 0.285 45.415 45.100 0.051 0.000 0.655 147 G HN 0.482 nan 8.290 nan 0.000 0.533 148 F N 2.596 122.570 119.950 0.039 0.000 2.063 148 F HA -0.261 4.266 4.527 -0.000 0.000 0.297 148 F C 2.877 178.726 175.800 0.080 0.000 1.099 148 F CA 3.638 61.707 58.000 0.115 0.000 1.220 148 F CB -0.681 38.392 39.000 0.120 0.000 0.972 148 F HN 0.394 nan 8.300 nan 0.000 0.487 149 T N -1.344 113.274 114.554 0.107 0.000 2.622 149 T HA -0.268 4.082 4.350 -0.000 0.000 0.266 149 T C 2.108 176.731 174.700 -0.129 0.000 1.047 149 T CA 1.926 64.032 62.100 0.010 0.000 1.159 149 T CB -1.504 67.406 68.868 0.071 0.000 0.863 149 T HN 0.443 nan 8.240 nan 0.000 0.422 150 S N 0.469 116.102 115.700 -0.113 0.000 2.571 150 S HA 0.063 4.533 4.470 -0.000 0.000 0.245 150 S C 1.742 176.176 174.600 -0.277 0.000 0.976 150 S CA 0.833 58.943 58.200 -0.149 0.000 0.954 150 S CB -0.635 62.507 63.200 -0.096 0.000 0.756 150 S HN 0.506 nan 8.310 nan 0.000 0.535 151 M N -1.021 118.296 119.600 -0.472 0.000 2.429 151 M HA 0.388 4.868 4.480 -0.000 0.000 0.230 151 M C -0.117 175.684 176.300 -0.833 0.000 1.469 151 M CA 0.503 55.322 55.300 -0.802 0.000 1.097 151 M CB 0.734 32.551 32.600 -1.306 0.000 1.490 151 M HN 0.365 nan 8.290 nan 0.000 0.556 152 F N 1.148 120.819 119.950 -0.464 0.000 2.850 152 F HA 0.410 4.937 4.527 -0.000 0.000 0.306 152 F C 1.226 176.839 175.800 -0.312 0.000 1.162 152 F CA -0.208 57.514 58.000 -0.464 0.000 1.327 152 F CB -0.047 38.468 39.000 -0.809 0.000 0.953 152 F HN 0.308 nan 8.300 nan 0.000 0.507 153 G N 1.464 110.213 108.800 -0.085 0.000 2.682 153 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.256 153 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.256 153 G C 0.729 175.646 174.900 0.029 0.000 1.333 153 G CA 0.335 45.420 45.100 -0.024 0.000 0.904 153 G HN 0.391 nan 8.290 nan 0.000 0.569 154 T N -2.886 111.697 114.554 0.048 0.000 3.040 154 T HA 0.520 4.870 4.350 -0.000 0.000 0.266 154 T C 0.802 175.551 174.700 0.082 0.000 1.005 154 T CA 1.303 63.448 62.100 0.075 0.000 0.906 154 T CB 0.294 69.192 68.868 0.050 0.000 1.082 154 T HN 1.934 nan 8.240 nan 0.000 0.531 155 T N -0.610 113.989 114.554 0.076 0.000 2.916 155 T HA 0.477 4.827 4.350 -0.000 0.000 0.298 155 T C 1.190 175.940 174.700 0.083 0.000 1.031 155 T CA 0.055 62.199 62.100 0.073 0.000 0.993 155 T CB 1.965 70.864 68.868 0.051 0.000 1.045 155 T HN 0.038 nan 8.240 nan 0.000 0.454 156 S N 1.520 117.273 115.700 0.089 0.000 2.488 156 S HA -0.136 4.334 4.470 -0.000 0.000 0.246 156 S C 1.550 176.197 174.600 0.077 0.000 0.992 156 S CA 1.394 59.651 58.200 0.094 0.000 0.963 156 S CB -1.187 62.068 63.200 0.090 0.000 0.754 156 S HN 1.169 nan 8.310 nan 0.000 0.519 157 T N -2.758 111.834 114.554 0.063 0.000 3.145 157 T HA 0.403 4.753 4.350 -0.000 0.000 0.255 157 T C 0.524 175.252 174.700 0.047 0.000 1.039 157 T CA -0.262 61.870 62.100 0.053 0.000 0.928 157 T CB 0.097 68.991 68.868 0.043 0.000 1.029 157 T HN 0.197 nan 8.240 nan 0.000 0.554 158 S N 0.945 116.676 115.700 0.052 0.000 2.668 158 S HA 0.327 4.797 4.470 -0.000 0.000 0.244 158 S C 1.171 175.803 174.600 0.054 0.000 1.140 158 S CA -0.791 57.434 58.200 0.042 0.000 1.134 158 S CB 0.198 63.417 63.200 0.032 0.000 0.954 158 S HN 0.284 nan 8.310 nan 0.000 0.490 159 R N 1.142 121.683 120.500 0.067 0.000 2.103 159 R HA 0.125 4.465 4.340 -0.000 0.000 0.212 159 R C 2.063 178.438 176.300 0.125 0.000 1.107 159 R CA 1.045 57.205 56.100 0.100 0.000 1.025 159 R CB -1.488 28.829 30.300 0.027 0.000 0.929 159 R HN 0.488 nan 8.270 nan 0.000 0.456 160 S N 1.476 117.227 115.700 0.086 0.000 2.723 160 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 160 S C 0.906 175.532 174.600 0.044 0.000 0.967 160 S CA 0.726 58.974 58.200 0.079 0.000 0.958 160 S CB -0.178 63.063 63.200 0.067 0.000 0.778 160 S HN 0.049 nan 8.310 nan 0.000 0.537 161 D N 1.902 122.320 120.400 0.031 0.000 2.097 161 D HA -0.064 4.576 4.640 -0.000 0.000 0.195 161 D C 2.231 178.509 176.300 -0.036 0.000 0.989 161 D CA 1.434 55.430 54.000 -0.007 0.000 0.827 161 D CB -0.046 40.743 40.800 -0.017 0.000 0.966 161 D HN 0.613 nan 8.370 nan 0.000 0.456 162 Q N -0.957 118.806 119.800 -0.062 0.000 2.402 162 Q HA 0.166 4.506 4.340 -0.000 0.000 0.231 162 Q C -0.207 175.739 176.000 -0.089 0.000 0.888 162 Q CA 0.087 55.829 55.803 -0.102 0.000 0.938 162 Q CB 1.822 30.450 28.738 -0.183 0.000 1.086 162 Q HN 0.160 nan 8.270 nan 0.000 0.543 163 V N -1.518 118.355 119.914 -0.068 0.000 2.789 163 V HA 0.448 4.568 4.120 -0.000 0.000 0.311 163 V C 0.500 176.639 176.094 0.076 0.000 1.073 163 V CA -0.350 61.938 62.300 -0.020 0.000 0.921 163 V CB 1.774 33.520 31.823 -0.128 0.000 1.009 163 V HN 0.141 nan 8.190 nan 0.000 0.426 164 S N 2.171 117.918 115.700 0.079 0.000 2.460 164 S HA 0.272 4.742 4.470 -0.000 0.000 0.226 164 S C 0.749 175.432 174.600 0.139 0.000 1.057 164 S CA 0.484 58.738 58.200 0.091 0.000 0.948 164 S CB -0.018 63.207 63.200 0.041 0.000 0.822 164 S HN 1.019 nan 8.310 nan 0.000 0.512 165 S N 0.889 116.649 115.700 0.100 0.000 2.634 165 S HA 0.843 5.313 4.470 -0.000 0.000 0.296 165 S C -0.893 173.834 174.600 0.213 0.000 1.104 165 S CA -0.932 57.325 58.200 0.095 0.000 0.920 165 S CB 1.578 64.691 63.200 -0.145 0.000 1.111 165 S HN 0.665 nan 8.310 nan 0.000 0.493 166 F N -1.030 118.977 119.950 0.094 0.000 2.685 166 F HA 0.887 5.414 4.527 -0.000 0.000 0.315 166 F C -1.181 174.766 175.800 0.245 0.000 1.126 166 F CA -1.305 56.749 58.000 0.089 0.000 0.950 166 F CB 1.485 40.517 39.000 0.052 0.000 1.360 166 F HN 0.755 nan 8.300 nan 0.000 0.469 167 R N 1.213 121.854 120.500 0.235 0.000 2.522 167 R HA 0.440 4.780 4.340 -0.000 0.000 0.273 167 R C -2.530 173.923 176.300 0.254 0.000 1.133 167 R CA -0.784 55.447 56.100 0.219 0.000 0.969 167 R CB 0.793 31.257 30.300 0.273 0.000 1.235 167 R HN 0.781 nan 8.270 nan 0.000 0.433 168 Y N 1.590 122.030 120.300 0.234 0.000 2.336 168 Y HA 0.397 4.947 4.550 -0.000 0.000 0.331 168 Y C 1.197 177.258 175.900 0.270 0.000 1.211 168 Y CA 0.890 59.120 58.100 0.216 0.000 1.346 168 Y CB 1.905 40.472 38.460 0.180 0.000 1.271 168 Y HN 0.918 nan 8.280 nan 0.000 0.538 169 A N 1.330 124.383 122.820 0.388 0.000 2.127 169 A HA 0.359 4.678 4.320 -0.000 0.000 0.204 169 A C 0.172 177.934 177.584 0.298 0.000 1.243 169 A CA 0.757 53.025 52.037 0.385 0.000 0.887 169 A CB 0.025 19.166 19.000 0.235 0.000 0.933 169 A HN 0.618 nan 8.150 nan 0.000 0.479 170 S N -2.768 113.087 115.700 0.259 0.000 2.595 170 S HA 0.646 5.116 4.470 -0.000 0.000 0.270 170 S C -0.086 174.627 174.600 0.189 0.000 1.145 170 S CA -0.623 57.669 58.200 0.154 0.000 0.825 170 S CB 0.781 64.004 63.200 0.038 0.000 1.107 170 S HN -0.027 nan 8.310 nan 0.000 0.461 171 M N 0.967 120.621 119.600 0.090 0.000 3.178 171 M HA 0.353 4.833 4.480 -0.000 0.000 0.175 171 M C -0.636 175.752 176.300 0.147 0.000 1.704 171 M CA 0.466 55.833 55.300 0.112 0.000 1.550 171 M CB -1.441 31.162 32.600 0.005 0.000 0.891 171 M HN 1.049 nan 8.290 nan 0.000 0.568 172 N N 1.501 120.217 118.700 0.027 0.000 3.983 172 N HA -0.145 4.595 4.740 -0.000 0.000 0.316 172 N C -0.915 174.691 175.510 0.160 0.000 2.150 172 N CA 0.292 53.352 53.050 0.018 0.000 3.135 172 N CB -0.611 37.922 38.487 0.077 0.000 0.254 172 N HN 0.368 nan 8.380 nan 0.000 0.873 173 V N -0.184 119.701 119.914 -0.049 0.000 2.971 173 V HA 0.930 5.050 4.120 -0.000 0.000 0.309 173 V C 0.066 176.145 176.094 -0.025 0.000 1.130 173 V CA 0.169 62.436 62.300 -0.054 0.000 0.964 173 V CB 1.988 33.738 31.823 -0.123 0.000 1.029 173 V HN 1.262 nan 8.190 nan 0.000 0.427 174 G N 4.700 113.589 108.800 0.148 0.000 2.638 174 G HA2 0.721 4.681 3.960 -0.000 0.000 0.302 174 G HA3 0.721 4.681 3.960 -0.000 0.000 0.302 174 G C -1.543 173.359 174.900 0.002 0.000 1.365 174 G CA -0.582 44.645 45.100 0.212 0.000 0.987 174 G HN 0.816 nan 8.290 nan 0.000 0.495 175 I N 1.948 122.373 120.570 -0.242 0.000 2.464 175 I HA 0.199 4.369 4.170 -0.000 0.000 0.277 175 I C -1.036 174.884 176.117 -0.330 0.000 1.040 175 I CA -0.668 60.545 61.300 -0.146 0.000 1.153 175 I CB 1.082 39.033 38.000 -0.081 0.000 1.274 175 I HN 0.377 nan 8.210 nan 0.000 0.469 176 Y N 7.642 127.935 120.300 -0.011 0.000 2.504 176 Y HA 0.275 4.825 4.550 -0.000 0.000 0.351 176 Y C -1.885 173.956 175.900 -0.097 0.000 0.988 176 Y CA -2.859 55.212 58.100 -0.049 0.000 1.239 176 Y CB -0.195 38.266 38.460 0.001 0.000 1.128 176 Y HN 0.355 nan 8.280 nan 0.000 0.525 177 P HA 0.019 nan 4.420 nan 0.000 0.271 177 P C 0.480 177.744 177.300 -0.061 0.000 1.233 177 P CA 0.127 63.057 63.100 -0.284 0.000 0.789 177 P CB 1.307 32.571 31.700 -0.727 0.000 0.951 178 T N -4.665 109.907 114.554 0.030 0.000 3.253 178 T HA 0.166 4.516 4.350 -0.000 0.000 0.299 178 T C 0.455 175.230 174.700 0.126 0.000 0.927 178 T CA -0.235 61.913 62.100 0.081 0.000 0.926 178 T CB -0.613 68.318 68.868 0.105 0.000 1.183 178 T HN 0.275 nan 8.240 nan 0.000 0.557 179 S N 3.672 119.485 115.700 0.187 0.000 2.634 179 S HA 0.436 4.906 4.470 -0.000 0.000 0.261 179 S C 0.278 175.004 174.600 0.210 0.000 1.271 179 S CA -0.809 57.538 58.200 0.244 0.000 0.985 179 S CB 0.287 63.727 63.200 0.401 0.000 0.968 179 S HN 0.749 nan 8.310 nan 0.000 0.568 180 N N 0.505 119.338 118.700 0.221 0.000 2.498 180 N HA 0.154 4.894 4.740 -0.000 0.000 0.287 180 N C 0.025 175.713 175.510 0.296 0.000 1.097 180 N CA -0.629 52.536 53.050 0.193 0.000 0.973 180 N CB 0.613 39.175 38.487 0.125 0.000 1.153 180 N HN 0.235 nan 8.380 nan 0.000 0.472 181 L N 0.432 121.817 121.223 0.271 0.000 2.661 181 L HA -0.069 4.270 4.340 -0.000 0.000 0.236 181 L C 1.787 178.755 176.870 0.162 0.000 1.176 181 L CA 1.180 56.237 54.840 0.362 0.000 0.836 181 L CB -0.756 41.442 42.059 0.230 0.000 0.960 181 L HN 0.604 nan 8.230 nan 0.000 0.455 182 M N -1.087 118.565 119.600 0.087 0.000 2.492 182 M HA 0.107 4.587 4.480 -0.000 0.000 0.255 182 M C 0.972 177.216 176.300 -0.093 0.000 1.139 182 M CA 0.584 55.873 55.300 -0.018 0.000 1.096 182 M CB -0.165 32.441 32.600 0.010 0.000 1.360 182 M HN 0.505 nan 8.290 nan 0.000 0.480 183 Q N -0.229 119.534 119.800 -0.062 0.000 2.063 183 Q HA 0.240 4.580 4.340 -0.000 0.000 0.258 183 Q C -0.293 175.676 176.000 -0.052 0.000 0.855 183 Q CA -0.361 55.383 55.803 -0.099 0.000 1.057 183 Q CB -0.379 28.343 28.738 -0.026 0.000 1.267 183 Q HN 0.249 nan 8.270 nan 0.000 0.419 184 F N 0.423 120.411 119.950 0.064 0.000 2.321 184 F HA 0.942 5.469 4.527 -0.000 0.000 0.318 184 F C -0.039 175.782 175.800 0.035 0.000 1.129 184 F CA -0.588 57.459 58.000 0.078 0.000 1.074 184 F CB 0.724 39.856 39.000 0.220 0.000 1.432 184 F HN 0.079 nan 8.300 nan 0.000 0.502 185 A N -0.493 122.515 122.820 0.314 0.000 2.522 185 A HA 0.671 4.991 4.320 -0.000 0.000 0.291 185 A C -0.379 177.309 177.584 0.174 0.000 1.039 185 A CA -0.205 51.919 52.037 0.145 0.000 0.643 185 A CB 0.297 19.262 19.000 -0.059 0.000 1.310 185 A HN 2.697 nan 8.150 nan 0.000 0.436 186 G N -0.936 107.933 108.800 0.115 0.000 2.483 186 G HA2 0.587 4.547 3.960 -0.000 0.000 0.521 186 G HA3 0.587 4.547 3.960 -0.000 0.000 0.521 186 G C -0.185 174.754 174.900 0.065 0.000 1.278 186 G CA 0.236 45.350 45.100 0.023 0.000 0.965 186 G HN 2.836 nan 8.290 nan 0.000 0.504 187 S N -1.452 114.242 115.700 -0.011 0.000 2.556 187 S HA 0.789 5.259 4.470 -0.000 0.000 0.271 187 S C -0.749 173.824 174.600 -0.045 0.000 1.135 187 S CA -0.825 57.368 58.200 -0.012 0.000 0.858 187 S CB 2.018 65.192 63.200 -0.044 0.000 1.114 187 S HN 1.185 nan 8.310 nan 0.000 0.468 188 I N 2.112 122.652 120.570 -0.051 0.000 2.378 188 I HA 0.448 4.618 4.170 -0.000 0.000 0.291 188 I C -0.593 175.473 176.117 -0.085 0.000 0.992 188 I CA -0.485 60.788 61.300 -0.044 0.000 1.154 188 I CB 2.022 40.042 38.000 0.032 0.000 1.315 188 I HN 0.733 nan 8.210 nan 0.000 0.448 189 T N 5.076 119.629 114.554 -0.003 0.000 2.812 189 T HA 0.588 4.938 4.350 -0.000 0.000 0.282 189 T C -0.398 174.447 174.700 0.241 0.000 0.990 189 T CA -0.629 61.539 62.100 0.113 0.000 0.960 189 T CB 2.231 71.220 68.868 0.202 0.000 0.948 189 T HN 0.200 nan 8.240 nan 0.000 0.438 190 V N 3.915 124.050 119.914 0.370 0.000 2.577 190 V HA 0.777 4.897 4.120 -0.000 0.000 0.303 190 V C -1.111 175.237 176.094 0.424 0.000 1.042 190 V CA -0.966 61.497 62.300 0.272 0.000 0.872 190 V CB 1.427 33.392 31.823 0.238 0.000 0.998 190 V HN 1.034 nan 8.190 nan 0.000 0.423 191 W N 3.453 124.811 121.300 0.095 0.000 3.032 191 W HA 0.850 5.509 4.660 -0.000 0.000 0.341 191 W C -1.169 175.391 176.519 0.069 0.000 1.202 191 W CA -1.190 56.207 57.345 0.088 0.000 1.132 191 W CB 1.466 30.986 29.460 0.099 0.000 1.465 191 W HN 0.273 nan 8.180 nan 0.000 0.576 192 K N 1.506 122.066 120.400 0.267 0.000 2.292 192 K HA 0.619 4.939 4.320 -0.000 0.000 0.257 192 K C -1.414 175.280 176.600 0.157 0.000 0.940 192 K CA -0.579 55.773 56.287 0.108 0.000 0.811 192 K CB 1.828 34.369 32.500 0.068 0.000 1.120 192 K HN 0.514 nan 8.250 nan 0.000 0.428 193 C N 3.617 122.973 119.300 0.095 0.000 2.382 193 C HA 0.365 4.825 4.460 -0.000 0.000 0.327 193 C C -1.713 173.333 174.990 0.093 0.000 1.250 193 C CA -1.575 57.517 59.018 0.125 0.000 1.707 193 C CB 1.096 28.919 27.740 0.138 0.000 2.272 193 C HN 0.664 nan 8.230 nan 0.000 0.506 194 P HA 0.034 nan 4.420 nan 0.000 0.246 194 P C -0.194 177.157 177.300 0.084 0.000 1.686 194 P CA 0.332 63.477 63.100 0.075 0.000 0.867 194 P CB -0.396 31.339 31.700 0.058 0.000 1.733 195 V N 0.850 120.840 119.914 0.126 0.000 2.409 195 V HA 0.043 4.163 4.120 -0.000 0.000 0.270 195 V C 0.964 177.178 176.094 0.200 0.000 1.019 195 V CA 0.286 62.667 62.300 0.134 0.000 1.066 195 V CB -0.681 31.290 31.823 0.247 0.000 1.021 195 V HN 0.175 nan 8.190 nan 0.000 0.476 196 K N 3.999 124.399 120.400 0.001 0.000 2.156 196 K HA 0.655 4.975 4.320 -0.000 0.000 0.250 196 K C -0.841 175.540 176.600 -0.365 0.000 0.955 196 K CA -1.115 55.143 56.287 -0.047 0.000 0.855 196 K CB 2.527 35.023 32.500 -0.006 0.000 1.101 196 K HN 0.462 nan 8.250 nan 0.000 0.434 197 L N 1.457 122.402 121.223 -0.464 0.000 2.259 197 L HA 0.247 4.587 4.340 -0.000 0.000 0.288 197 L C -0.088 176.652 176.870 -0.216 0.000 1.051 197 L CA 0.500 55.026 54.840 -0.523 0.000 0.824 197 L CB 0.985 42.693 42.059 -0.584 0.000 1.206 197 L HN 0.656 nan 8.230 nan 0.000 0.429 198 S N 2.552 118.151 115.700 -0.169 0.000 3.012 198 S HA 0.824 5.294 4.470 -0.000 0.000 0.254 198 S C -0.298 174.291 174.600 -0.018 0.000 1.030 198 S CA 0.227 58.386 58.200 -0.069 0.000 1.053 198 S CB 1.183 64.339 63.200 -0.073 0.000 1.286 198 S HN 0.810 nan 8.310 nan 0.000 0.633 199 T N -1.055 113.479 114.554 -0.033 0.000 2.923 199 T HA 0.678 5.028 4.350 -0.000 0.000 0.311 199 T C -1.265 173.393 174.700 -0.071 0.000 1.183 199 T CA -0.634 61.438 62.100 -0.047 0.000 1.020 199 T CB 1.070 69.900 68.868 -0.064 0.000 1.165 199 T HN 0.614 nan 8.240 nan 0.000 0.482 200 V N 2.451 122.306 119.914 -0.099 0.000 2.715 200 V HA 0.794 4.914 4.120 -0.000 0.000 0.310 200 V C -1.043 174.925 176.094 -0.211 0.000 1.054 200 V CA -0.655 61.589 62.300 -0.094 0.000 0.928 200 V CB 1.702 33.512 31.823 -0.023 0.000 1.007 200 V HN 1.242 nan 8.190 nan 0.000 0.437 201 Q N 5.866 125.569 119.800 -0.161 0.000 2.310 201 Q HA 0.662 5.001 4.340 -0.000 0.000 0.270 201 Q C -1.862 174.090 176.000 -0.081 0.000 1.025 201 Q CA -0.654 55.008 55.803 -0.235 0.000 0.772 201 Q CB 1.975 30.632 28.738 -0.135 0.000 1.253 201 Q HN 0.770 nan 8.270 nan 0.000 0.450 202 F N 0.673 120.609 119.950 -0.023 0.000 2.626 202 F HA 0.857 5.384 4.527 -0.000 0.000 0.311 202 F C -3.076 172.714 175.800 -0.017 0.000 1.088 202 F CA -3.001 54.987 58.000 -0.019 0.000 0.949 202 F CB 1.022 40.011 39.000 -0.019 0.000 1.322 202 F HN 0.346 nan 8.300 nan 0.000 0.461 203 P HA 0.601 nan 4.420 nan 0.000 0.287 203 P C -1.469 175.942 177.300 0.185 0.000 1.279 203 P CA -0.620 62.606 63.100 0.212 0.000 0.867 203 P CB 2.690 34.452 31.700 0.103 0.000 1.127 204 V N -1.957 118.037 119.914 0.133 0.000 2.789 204 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 204 V C 0.222 176.340 176.094 0.040 0.000 1.073 204 V CA -1.351 60.991 62.300 0.070 0.000 0.921 204 V CB 1.354 33.232 31.823 0.091 0.000 1.009 204 V HN 0.608 nan 8.190 nan 0.000 0.426 205 A N 3.032 125.861 122.820 0.015 0.000 3.037 205 A HA 0.613 4.933 4.320 -0.000 0.000 0.272 205 A C 0.754 178.344 177.584 0.010 0.000 1.723 205 A CA 0.316 52.358 52.037 0.009 0.000 1.413 205 A CB -1.231 17.768 19.000 -0.001 0.000 1.112 205 A HN 1.248 nan 8.150 nan 0.000 0.606 206 T N -1.859 112.705 114.554 0.017 0.000 2.937 206 T HA 0.579 4.929 4.350 -0.000 0.000 0.283 206 T C -0.708 174.000 174.700 0.012 0.000 1.012 206 T CA -0.698 61.411 62.100 0.015 0.000 0.997 206 T CB 1.494 70.375 68.868 0.022 0.000 1.136 206 T HN 0.289 nan 8.240 nan 0.000 0.551 207 D N 1.130 121.536 120.400 0.010 0.000 2.414 207 D HA 0.560 5.200 4.640 -0.000 0.000 0.232 207 D C -2.076 174.229 176.300 0.008 0.000 1.070 207 D CA -1.279 52.726 54.000 0.008 0.000 0.839 207 D CB 0.691 41.494 40.800 0.006 0.000 1.079 207 D HN 0.368 nan 8.370 nan 0.000 0.521 208 P HA 0.466 nan 4.420 nan 0.000 0.302 208 P C -1.173 176.134 177.300 0.012 0.000 1.307 208 P CA -0.827 62.278 63.100 0.008 0.000 0.754 208 P CB 0.557 32.261 31.700 0.007 0.000 1.298 209 A N 0.185 123.012 122.820 0.012 0.000 2.440 209 A HA 0.530 4.850 4.320 -0.000 0.000 0.251 209 A C 0.389 177.985 177.584 0.020 0.000 1.089 209 A CA 0.231 52.278 52.037 0.017 0.000 0.779 209 A CB -0.658 18.352 19.000 0.016 0.000 1.022 209 A HN 0.611 nan 8.150 nan 0.000 0.492 210 T N -0.806 113.766 114.554 0.029 0.000 2.907 210 T HA 0.708 5.058 4.350 -0.000 0.000 0.290 210 T C -0.235 174.492 174.700 0.044 0.000 1.066 210 T CA -0.520 61.597 62.100 0.028 0.000 1.012 210 T CB 1.662 70.546 68.868 0.026 0.000 1.184 210 T HN 0.718 nan 8.240 nan 0.000 0.522 211 S N 0.504 116.221 115.700 0.028 0.000 2.478 211 S HA 0.672 5.142 4.470 -0.000 0.000 0.312 211 S C -0.221 174.367 174.600 -0.021 0.000 1.094 211 S CA -0.579 57.639 58.200 0.030 0.000 1.081 211 S CB 1.040 64.241 63.200 0.003 0.000 1.007 211 S HN 0.792 nan 8.310 nan 0.000 0.475 212 S N 2.764 118.435 115.700 -0.049 0.000 2.738 212 S HA 0.814 5.284 4.470 -0.000 0.000 0.284 212 S C -0.948 173.375 174.600 -0.461 0.000 1.146 212 S CA -0.703 57.352 58.200 -0.241 0.000 0.997 212 S CB 0.893 63.958 63.200 -0.225 0.000 1.081 212 S HN 0.755 nan 8.310 nan 0.000 0.553 213 L N 1.575 122.501 121.223 -0.496 0.000 2.905 213 L HA 0.581 4.921 4.340 -0.000 0.000 0.260 213 L C -1.603 175.046 176.870 -0.367 0.000 0.933 213 L CA -0.467 54.117 54.840 -0.428 0.000 1.034 213 L CB 0.810 42.717 42.059 -0.253 0.000 1.550 213 L HN 0.531 nan 8.230 nan 0.000 0.480 214 V N -0.524 119.174 119.914 -0.360 0.000 3.160 214 V HA 0.629 4.749 4.120 -0.000 0.000 0.310 214 V C -0.179 175.822 176.094 -0.155 0.000 1.181 214 V CA -0.994 61.148 62.300 -0.263 0.000 1.047 214 V CB 1.616 33.340 31.823 -0.166 0.000 1.068 214 V HN 0.719 nan 8.190 nan 0.000 0.441 215 H N 0.900 119.923 119.070 -0.078 0.000 2.929 215 H HA 0.512 5.068 4.556 -0.000 0.000 0.358 215 H C 0.244 175.514 175.328 -0.097 0.000 1.111 215 H CA 1.417 57.416 56.048 -0.082 0.000 1.409 215 H CB 1.073 30.800 29.762 -0.058 0.000 1.373 215 H HN 1.007 nan 8.280 nan 0.000 0.610 216 T N 3.049 117.606 114.554 0.005 0.000 3.767 216 T HA 0.229 4.579 4.350 -0.000 0.000 0.360 216 T C -0.774 173.807 174.700 -0.198 0.000 1.181 216 T CA -0.815 61.235 62.100 -0.084 0.000 1.110 216 T CB 0.102 68.937 68.868 -0.055 0.000 1.201 216 T HN 0.385 nan 8.240 nan 0.000 0.474 217 L N 5.218 126.266 121.223 -0.291 0.000 2.530 217 L HA 0.384 4.724 4.340 -0.000 0.000 0.273 217 L C 0.933 177.628 176.870 -0.292 0.000 1.141 217 L CA -0.596 53.989 54.840 -0.426 0.000 0.905 217 L CB 0.466 42.207 42.059 -0.530 0.000 1.202 217 L HN 0.574 nan 8.230 nan 0.000 0.473 218 V N 1.061 120.827 119.914 -0.247 0.000 2.465 218 V HA 0.800 4.920 4.120 -0.000 0.000 0.279 218 V C 0.905 176.915 176.094 -0.140 0.000 1.045 218 V CA 0.297 62.500 62.300 -0.163 0.000 0.938 218 V CB 1.002 32.756 31.823 -0.115 0.000 0.986 218 V HN 0.983 nan 8.190 nan 0.000 0.467 219 G N 3.577 112.308 108.800 -0.116 0.000 2.130 219 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 219 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 219 G C 0.182 175.039 174.900 -0.072 0.000 0.999 219 G CA 0.139 45.196 45.100 -0.071 0.000 0.686 219 G HN 0.961 nan 8.290 nan 0.000 0.515 220 L N 0.724 121.847 121.223 -0.167 0.000 2.376 220 L HA 0.179 4.519 4.340 -0.000 0.000 0.219 220 L C 2.133 178.917 176.870 -0.143 0.000 1.133 220 L CA 2.061 56.767 54.840 -0.224 0.000 0.816 220 L CB -0.807 40.912 42.059 -0.567 0.000 0.933 220 L HN 0.377 nan 8.230 nan 0.000 0.449 221 D N -0.886 119.446 120.400 -0.113 0.000 2.190 221 D HA -0.186 4.454 4.640 -0.000 0.000 0.200 221 D C 2.148 178.493 176.300 0.076 0.000 0.992 221 D CA 1.259 55.237 54.000 -0.037 0.000 0.854 221 D CB -0.161 40.610 40.800 -0.049 0.000 0.936 221 D HN 0.422 nan 8.370 nan 0.000 0.462 222 G N 0.327 109.197 108.800 0.117 0.000 2.462 222 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 222 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 222 G C 1.581 176.759 174.900 0.462 0.000 1.121 222 G CA 0.564 45.805 45.100 0.235 0.000 0.758 222 G HN 0.253 nan 8.290 nan 0.000 0.559 223 V N 0.343 120.527 119.914 0.449 0.000 3.078 223 V HA -0.008 4.112 4.120 -0.000 0.000 0.265 223 V C 2.216 178.749 176.094 0.731 0.000 1.122 223 V CA 0.711 63.405 62.300 0.656 0.000 1.141 223 V CB -0.211 32.002 31.823 0.650 0.000 0.735 223 V HN 0.224 nan 8.190 nan 0.000 0.498 224 L N -0.015 121.443 121.223 0.391 0.000 2.612 224 L HA 0.502 4.842 4.340 -0.000 0.000 0.230 224 L C 0.705 177.188 176.870 -0.646 0.000 1.140 224 L CA 0.775 55.659 54.840 0.074 0.000 0.896 224 L CB -0.591 41.468 42.059 0.000 0.000 1.065 224 L HN 0.367 nan 8.230 nan 0.000 0.447 225 A N -1.881 120.736 122.820 -0.337 0.000 2.601 225 A HA 0.657 4.977 4.320 -0.000 0.000 0.291 225 A C -1.233 176.061 177.584 -0.482 0.000 1.075 225 A CA -0.648 50.998 52.037 -0.651 0.000 0.671 225 A CB 0.932 19.641 19.000 -0.484 0.000 1.277 225 A HN -0.248 nan 8.150 nan 0.000 0.417 226 V N 1.739 121.304 119.914 -0.582 0.000 2.427 226 V HA 0.493 4.613 4.120 -0.000 0.000 0.268 226 V C 1.341 176.853 176.094 -0.971 0.000 1.046 226 V CA 0.096 61.593 62.300 -1.338 0.000 0.970 226 V CB 0.253 31.700 31.823 -0.627 0.000 1.001 226 V HN 1.300 nan 8.190 nan 0.000 0.476 227 G N 5.690 113.695 108.800 -1.324 0.000 2.562 227 G HA2 0.197 4.157 3.960 -0.000 0.000 0.233 227 G HA3 0.197 4.157 3.960 -0.000 0.000 0.233 227 G C -1.511 173.251 174.900 -0.231 0.000 1.266 227 G CA -0.590 44.217 45.100 -0.488 0.000 0.852 227 G HN 0.635 nan 8.290 nan 0.000 0.581 228 P HA 0.013 nan 4.420 nan 0.000 0.219 228 P C 0.198 177.501 177.300 0.005 0.000 1.150 228 P CA 0.819 63.888 63.100 -0.051 0.000 0.814 228 P CB 0.331 32.010 31.700 -0.034 0.000 0.787 229 D N 0.416 120.841 120.400 0.041 0.000 2.494 229 D HA 0.188 4.828 4.640 -0.000 0.000 0.217 229 D C 0.023 176.414 176.300 0.151 0.000 1.153 229 D CA -0.047 54.005 54.000 0.087 0.000 0.954 229 D CB -0.736 40.117 40.800 0.087 0.000 1.034 229 D HN 0.285 nan 8.370 nan 0.000 0.518 230 N N -0.041 118.751 118.700 0.155 0.000 2.647 230 N HA 0.565 5.305 4.740 -0.000 0.000 0.266 230 N C -1.720 173.949 175.510 0.264 0.000 1.373 230 N CA -1.028 52.169 53.050 0.246 0.000 0.807 230 N CB 1.198 39.797 38.487 0.187 0.000 1.513 230 N HN 0.046 nan 8.380 nan 0.000 0.505 231 F N 0.093 120.125 119.950 0.136 0.000 2.518 231 F HA 0.765 5.292 4.527 -0.000 0.000 0.323 231 F C -1.060 174.792 175.800 0.087 0.000 1.129 231 F CA -0.428 57.623 58.000 0.086 0.000 0.920 231 F CB 1.954 40.992 39.000 0.064 0.000 1.160 231 F HN 0.589 nan 8.300 nan 0.000 0.440 232 S N 5.010 120.276 115.700 -0.724 0.000 2.575 232 S HA 0.682 5.152 4.470 -0.000 0.000 0.278 232 S C -1.576 172.578 174.600 -0.743 0.000 1.139 232 S CA -0.336 57.482 58.200 -0.636 0.000 0.954 232 S CB 1.140 64.201 63.200 -0.232 0.000 1.054 232 S HN 0.798 nan 8.310 nan 0.000 0.483 233 E N 1.020 120.831 120.200 -0.648 0.000 2.388 233 E HA 0.195 4.545 4.350 -0.000 0.000 0.281 233 E C -1.044 175.452 176.600 -0.173 0.000 1.046 233 E CA -0.448 55.736 56.400 -0.360 0.000 0.825 233 E CB 1.930 31.427 29.700 -0.338 0.000 1.243 233 E HN 0.622 nan 8.360 nan 0.000 0.438 234 S N 1.459 117.117 115.700 -0.070 0.000 2.571 234 S HA -0.098 4.372 4.470 -0.000 0.000 0.298 234 S C 1.263 175.845 174.600 -0.030 0.000 1.280 234 S CA 0.153 58.353 58.200 0.001 0.000 1.052 234 S CB -0.032 63.194 63.200 0.043 0.000 0.799 234 S HN 0.515 nan 8.310 nan 0.000 0.501 235 F N 5.234 125.091 119.950 -0.156 0.000 2.065 235 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 235 F C 1.788 177.383 175.800 -0.342 0.000 1.112 235 F CA 2.046 59.910 58.000 -0.228 0.000 1.212 235 F CB -0.661 38.229 39.000 -0.183 0.000 0.975 235 F HN 0.703 nan 8.300 nan 0.000 0.476 236 I N 0.866 121.035 120.570 -0.668 0.000 2.502 236 I HA -0.286 3.884 4.170 -0.000 0.000 0.258 236 I C 2.034 177.824 176.117 -0.546 0.000 1.172 236 I CA 1.592 62.346 61.300 -0.910 0.000 1.430 236 I CB -0.704 36.404 38.000 -1.486 0.000 1.086 236 I HN 0.149 nan 8.210 nan 0.000 0.440 237 K N 0.309 120.485 120.400 -0.375 0.000 2.459 237 K HA 0.226 4.546 4.320 -0.000 0.000 0.193 237 K C 1.081 177.558 176.600 -0.205 0.000 1.030 237 K CA 0.516 56.675 56.287 -0.213 0.000 1.026 237 K CB -0.193 32.251 32.500 -0.093 0.000 0.809 237 K HN 0.531 nan 8.250 nan 0.000 0.504 238 G N 0.675 109.280 108.800 -0.325 0.000 2.697 238 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.240 238 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.240 238 G C -0.812 174.017 174.900 -0.119 0.000 1.346 238 G CA -0.308 44.610 45.100 -0.304 0.000 0.887 238 G HN 0.341 nan 8.290 nan 0.000 0.569 239 V N -0.887 118.924 119.914 -0.172 0.000 3.088 239 V HA 0.624 4.744 4.120 -0.000 0.000 0.272 239 V C -1.788 174.230 176.094 -0.126 0.000 1.611 239 V CA 0.096 62.330 62.300 -0.111 0.000 0.990 239 V CB 1.660 33.506 31.823 0.039 0.000 1.234 239 V HN 2.208 nan 8.190 nan 0.000 0.453 240 F N 5.192 124.975 119.950 -0.278 0.000 2.581 240 F HA 0.893 5.420 4.527 -0.000 0.000 0.311 240 F C -0.624 175.079 175.800 -0.162 0.000 1.113 240 F CA 0.536 58.441 58.000 -0.158 0.000 0.935 240 F CB 2.125 41.058 39.000 -0.112 0.000 1.232 240 F HN 0.798 nan 8.300 nan 0.000 0.445 241 S N 5.024 120.273 115.700 -0.751 0.000 2.537 241 S HA 0.560 5.030 4.470 -0.000 0.000 0.271 241 S C -1.673 172.571 174.600 -0.593 0.000 1.148 241 S CA -0.661 57.225 58.200 -0.524 0.000 0.868 241 S CB 1.652 64.677 63.200 -0.291 0.000 1.115 241 S HN 0.885 nan 8.310 nan 0.000 0.461 242 Q N 1.322 120.891 119.800 -0.385 0.000 2.814 242 Q HA 0.836 5.176 4.340 -0.000 0.000 0.283 242 Q C -0.909 174.978 176.000 -0.189 0.000 1.071 242 Q CA -1.030 54.600 55.803 -0.287 0.000 0.849 242 Q CB 1.523 30.104 28.738 -0.261 0.000 1.437 242 Q HN 0.580 nan 8.270 nan 0.000 0.492 243 S N -1.400 114.197 115.700 -0.172 0.000 2.537 243 S HA 0.779 5.249 4.470 -0.000 0.000 0.270 243 S C -1.829 172.692 174.600 -0.132 0.000 1.142 243 S CA 0.034 58.156 58.200 -0.131 0.000 0.870 243 S CB 1.724 64.864 63.200 -0.100 0.000 1.112 243 S HN 0.933 nan 8.310 nan 0.000 0.466 244 A N 1.465 124.228 122.820 -0.095 0.000 2.437 244 A HA 0.787 5.107 4.320 -0.000 0.000 0.288 244 A C 0.126 177.737 177.584 0.046 0.000 1.201 244 A CA -0.598 51.429 52.037 -0.017 0.000 0.795 244 A CB 0.623 19.543 19.000 -0.133 0.000 1.359 244 A HN 1.312 nan 8.150 nan 0.000 0.435 245 C N 0.799 120.184 119.300 0.142 0.000 2.611 245 C HA 0.240 4.700 4.460 -0.000 0.000 0.416 245 C C 1.011 175.975 174.990 -0.043 0.000 1.366 245 C CA 0.597 59.592 59.018 -0.038 0.000 1.761 245 C CB -1.114 26.419 27.740 -0.345 0.000 2.619 245 C HN 0.848 nan 8.230 nan 0.000 0.606 246 N N 2.504 121.167 118.700 -0.061 0.000 2.389 246 N HA 0.310 5.050 4.740 -0.000 0.000 0.260 246 N C -0.603 174.883 175.510 -0.040 0.000 1.191 246 N CA -0.100 52.932 53.050 -0.030 0.000 0.885 246 N CB 0.132 38.615 38.487 -0.005 0.000 1.162 246 N HN 0.692 nan 8.380 nan 0.000 0.512 247 E N -0.480 119.670 120.200 -0.084 0.000 2.408 247 E HA 0.282 4.632 4.350 -0.000 0.000 0.275 247 E C -2.011 174.533 176.600 -0.094 0.000 0.935 247 E CA -1.639 54.713 56.400 -0.080 0.000 0.775 247 E CB 2.062 31.702 29.700 -0.099 0.000 1.277 247 E HN -0.110 nan 8.360 nan 0.000 0.455 248 P HA -0.103 nan 4.420 nan 0.000 0.216 248 P C -0.418 176.858 177.300 -0.040 0.000 1.153 248 P CA 1.318 64.404 63.100 -0.023 0.000 0.848 248 P CB 0.234 31.932 31.700 -0.004 0.000 0.787 249 D N -1.951 118.409 120.400 -0.066 0.000 2.326 249 D HA 0.270 4.910 4.640 -0.000 0.000 0.248 249 D C -0.935 175.282 176.300 -0.138 0.000 1.001 249 D CA -0.776 53.202 54.000 -0.037 0.000 0.961 249 D CB 0.202 40.994 40.800 -0.013 0.000 1.183 249 D HN -0.148 nan 8.370 nan 0.000 0.502 250 F N 0.445 120.325 119.950 -0.115 0.000 2.425 250 F HA 0.241 4.768 4.527 -0.000 0.000 0.354 250 F C 0.811 176.452 175.800 -0.265 0.000 1.162 250 F CA -0.452 57.459 58.000 -0.148 0.000 1.250 250 F CB 0.246 39.146 39.000 -0.166 0.000 1.579 250 F HN 0.177 nan 8.300 nan 0.000 0.589 251 E N 1.777 121.906 120.200 -0.119 0.000 2.283 251 E HA 0.319 4.669 4.350 -0.000 0.000 0.271 251 E C -0.585 175.890 176.600 -0.208 0.000 1.031 251 E CA -0.676 55.602 56.400 -0.204 0.000 0.868 251 E CB 1.315 30.948 29.700 -0.112 0.000 1.094 251 E HN 0.286 nan 8.360 nan 0.000 0.401 252 F N 1.812 121.677 119.950 -0.141 0.000 2.399 252 F HA 0.190 4.717 4.527 -0.000 0.000 0.342 252 F C 0.886 176.553 175.800 -0.221 0.000 1.106 252 F CA -0.530 57.351 58.000 -0.198 0.000 1.196 252 F CB 0.817 39.695 39.000 -0.203 0.000 1.163 252 F HN 0.253 nan 8.300 nan 0.000 0.547 253 N N 1.836 120.450 118.700 -0.143 0.000 2.319 253 N HA 0.192 4.932 4.740 -0.000 0.000 0.305 253 N C -1.273 174.171 175.510 -0.111 0.000 1.103 253 N CA -0.728 52.192 53.050 -0.217 0.000 0.815 253 N CB 1.487 39.737 38.487 -0.394 0.000 1.288 253 N HN 0.443 nan 8.380 nan 0.000 0.493 254 D N 0.800 121.228 120.400 0.048 0.000 2.399 254 D HA 0.122 4.762 4.640 -0.000 0.000 0.241 254 D C 0.742 177.209 176.300 0.278 0.000 1.133 254 D CA 0.067 54.148 54.000 0.135 0.000 0.890 254 D CB 1.267 42.134 40.800 0.112 0.000 1.201 254 D HN 0.272 nan 8.370 nan 0.000 0.432 255 I N 1.354 122.088 120.570 0.275 0.000 2.638 255 I HA 0.061 4.231 4.170 -0.000 0.000 0.286 255 I C 0.383 176.615 176.117 0.192 0.000 1.088 255 I CA -0.237 61.231 61.300 0.281 0.000 1.397 255 I CB 0.532 38.657 38.000 0.208 0.000 1.414 255 I HN 0.156 nan 8.210 nan 0.000 0.566 256 L N 6.103 127.421 121.223 0.159 0.000 2.276 256 L HA 0.260 4.600 4.340 -0.000 0.000 0.286 256 L C 0.243 177.178 176.870 0.108 0.000 1.024 256 L CA -0.607 54.316 54.840 0.137 0.000 0.826 256 L CB 0.882 43.017 42.059 0.127 0.000 1.211 256 L HN 0.443 nan 8.230 nan 0.000 0.422 257 E N 2.576 122.843 120.200 0.111 0.000 2.259 257 E HA 0.265 4.615 4.350 -0.000 0.000 0.281 257 E C 0.978 177.642 176.600 0.106 0.000 1.037 257 E CA 0.597 57.054 56.400 0.094 0.000 0.854 257 E CB 1.563 31.311 29.700 0.079 0.000 1.051 257 E HN 0.833 nan 8.360 nan 0.000 0.409 258 G N 3.417 112.277 108.800 0.099 0.000 2.195 258 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.246 258 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.246 258 G C 0.425 175.397 174.900 0.121 0.000 0.984 258 G CA -0.131 45.031 45.100 0.104 0.000 0.633 258 G HN 0.512 nan 8.290 nan 0.000 0.525 259 I N 0.703 121.355 120.570 0.137 0.000 2.471 259 I HA 0.367 4.537 4.170 -0.000 0.000 0.286 259 I C 1.217 177.421 176.117 0.145 0.000 1.079 259 I CA 0.342 61.729 61.300 0.145 0.000 1.398 259 I CB 1.535 39.610 38.000 0.125 0.000 1.403 259 I HN 0.161 nan 8.210 nan 0.000 0.530 260 Q N 3.150 123.034 119.800 0.140 0.000 2.254 260 Q HA 0.139 4.479 4.340 -0.000 0.000 0.259 260 Q C -0.285 175.809 176.000 0.156 0.000 0.815 260 Q CA 0.290 56.178 55.803 0.142 0.000 0.961 260 Q CB 1.044 29.850 28.738 0.112 0.000 1.140 260 Q HN 0.850 nan 8.270 nan 0.000 0.502 261 T N -2.358 112.279 114.554 0.138 0.000 2.894 261 T HA 0.711 5.061 4.350 -0.000 0.000 0.309 261 T C -1.081 173.679 174.700 0.100 0.000 1.208 261 T CA -0.751 61.427 62.100 0.131 0.000 1.016 261 T CB 1.120 70.054 68.868 0.111 0.000 1.192 261 T HN 0.031 nan 8.240 nan 0.000 0.491 262 L N 2.489 123.758 121.223 0.077 0.000 2.491 262 L HA 0.495 4.835 4.340 -0.000 0.000 0.267 262 L C -2.546 174.351 176.870 0.045 0.000 0.971 262 L CA -2.162 52.700 54.840 0.036 0.000 0.857 262 L CB 2.991 45.028 42.059 -0.037 0.000 1.226 262 L HN 0.522 nan 8.230 nan 0.000 0.408 263 P HA 0.177 nan 4.420 nan 0.000 0.271 263 P C -2.632 174.714 177.300 0.077 0.000 1.218 263 P CA -1.207 61.929 63.100 0.060 0.000 0.780 263 P CB 0.303 32.041 31.700 0.063 0.000 0.901 264 P HA 0.014 nan 4.420 nan 0.000 0.271 264 P C -0.187 177.162 177.300 0.081 0.000 1.244 264 P CA 0.031 63.184 63.100 0.089 0.000 0.793 264 P CB 0.310 32.065 31.700 0.091 0.000 0.984 265 A N 0.978 123.842 122.820 0.073 0.000 2.386 265 A HA 0.186 4.506 4.320 -0.000 0.000 0.248 265 A C 0.829 178.450 177.584 0.061 0.000 1.082 265 A CA 0.052 52.126 52.037 0.061 0.000 0.789 265 A CB -1.186 17.847 19.000 0.055 0.000 1.025 265 A HN 0.776 nan 8.150 nan 0.000 0.490 266 N N -1.650 117.080 118.700 0.050 0.000 2.909 266 N HA -0.154 4.586 4.740 -0.000 0.000 0.242 266 N C -0.666 174.879 175.510 0.059 0.000 0.975 266 N CA 0.637 53.715 53.050 0.046 0.000 0.921 266 N CB -1.100 37.416 38.487 0.050 0.000 1.112 266 N HN 0.407 nan 8.380 nan 0.000 0.581 267 V N 1.543 121.500 119.914 0.072 0.000 2.495 267 V HA 0.353 4.473 4.120 -0.000 0.000 0.298 267 V C 0.396 176.511 176.094 0.036 0.000 1.031 267 V CA -0.715 61.642 62.300 0.094 0.000 0.871 267 V CB 1.819 33.751 31.823 0.181 0.000 0.988 267 V HN 0.254 nan 8.190 nan 0.000 0.432 268 S N 5.235 120.915 115.700 -0.034 0.000 2.531 268 S HA 0.484 4.954 4.470 -0.000 0.000 0.279 268 S C -0.175 174.416 174.600 -0.015 0.000 1.305 268 S CA -0.463 57.708 58.200 -0.049 0.000 1.058 268 S CB 0.810 63.937 63.200 -0.121 0.000 0.899 268 S HN 0.695 nan 8.310 nan 0.000 0.493 269 L N 3.646 124.870 121.223 0.002 0.000 2.444 269 L HA 0.474 4.814 4.340 -0.000 0.000 0.251 269 L C 1.548 178.415 176.870 -0.006 0.000 1.247 269 L CA 1.172 56.020 54.840 0.013 0.000 0.825 269 L CB -0.527 41.545 42.059 0.023 0.000 1.129 269 L HN 1.047 nan 8.230 nan 0.000 0.527 270 G N 0.099 108.896 108.800 -0.005 0.000 2.238 270 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.270 270 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.270 270 G C 1.109 175.999 174.900 -0.017 0.000 0.977 270 G CA 1.052 46.143 45.100 -0.015 0.000 0.639 270 G HN 0.744 nan 8.290 nan 0.000 0.544 271 S N -0.646 115.047 115.700 -0.011 0.000 2.492 271 S HA 0.103 4.573 4.470 -0.000 0.000 0.218 271 S C 2.472 177.150 174.600 0.130 0.000 1.016 271 S CA 1.666 59.859 58.200 -0.012 0.000 0.916 271 S CB -0.112 62.979 63.200 -0.182 0.000 0.791 271 S HN 0.987 nan 8.310 nan 0.000 0.513 272 T N -1.876 112.734 114.554 0.095 0.000 2.978 272 T HA 0.305 4.655 4.350 -0.000 0.000 0.262 272 T C 1.654 176.363 174.700 0.014 0.000 1.063 272 T CA 1.019 63.165 62.100 0.076 0.000 1.140 272 T CB -0.541 68.351 68.868 0.041 0.000 0.886 272 T HN 0.775 nan 8.240 nan 0.000 0.470 273 G N 1.290 110.086 108.800 -0.007 0.000 2.132 273 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.234 273 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.234 273 G C -0.255 174.596 174.900 -0.080 0.000 0.989 273 G CA -0.085 44.994 45.100 -0.035 0.000 0.676 273 G HN 0.673 nan 8.290 nan 0.000 0.522 274 Q N -0.210 119.534 119.800 -0.094 0.000 2.235 274 Q HA 0.436 4.776 4.340 -0.000 0.000 0.250 274 Q C -1.404 174.495 176.000 -0.170 0.000 0.909 274 Q CA -1.572 54.125 55.803 -0.177 0.000 0.910 274 Q CB 2.159 30.802 28.738 -0.158 0.000 1.223 274 Q HN 0.241 nan 8.270 nan 0.000 0.432 275 P HA 0.032 nan 4.420 nan 0.000 0.257 275 P C -0.636 176.676 177.300 0.021 0.000 1.241 275 P CA 0.621 63.634 63.100 -0.146 0.000 0.816 275 P CB 0.369 31.970 31.700 -0.165 0.000 1.150 276 F N -2.768 117.212 119.950 0.050 0.000 3.215 276 F HA 0.696 5.223 4.527 -0.000 0.000 0.326 276 F C -1.217 174.623 175.800 0.068 0.000 1.189 276 F CA -1.210 56.828 58.000 0.064 0.000 0.905 276 F CB -0.080 38.987 39.000 0.112 0.000 1.485 276 F HN -0.453 nan 8.300 nan 0.000 0.508 277 T N 2.123 117.003 114.554 0.543 0.000 2.893 277 T HA 0.664 5.014 4.350 -0.000 0.000 0.291 277 T C -0.758 174.143 174.700 0.334 0.000 1.028 277 T CA -0.674 61.622 62.100 0.326 0.000 0.995 277 T CB 1.748 70.722 68.868 0.177 0.000 1.051 277 T HN 0.540 nan 8.240 nan 0.000 0.470 278 M N 2.892 122.614 119.600 0.205 0.000 2.114 278 M HA 0.382 4.862 4.480 -0.000 0.000 0.332 278 M C -0.957 175.468 176.300 0.209 0.000 1.014 278 M CA -0.652 54.731 55.300 0.138 0.000 0.956 278 M CB 1.319 33.809 32.600 -0.184 0.000 1.551 278 M HN 0.638 nan 8.290 nan 0.000 0.427 279 D N 1.868 122.460 120.400 0.320 0.000 2.464 279 D HA 0.230 4.870 4.640 -0.000 0.000 0.243 279 D C 1.000 177.493 176.300 0.322 0.000 1.104 279 D CA -0.171 53.983 54.000 0.256 0.000 0.883 279 D CB 1.098 41.992 40.800 0.157 0.000 1.050 279 D HN 0.615 nan 8.370 nan 0.000 0.524 280 S N 2.233 118.137 115.700 0.340 0.000 2.500 280 S HA 0.176 4.646 4.470 -0.000 0.000 0.239 280 S C 1.375 175.969 174.600 -0.009 0.000 0.989 280 S CA 0.688 58.989 58.200 0.168 0.000 0.951 280 S CB -0.567 62.731 63.200 0.164 0.000 0.759 280 S HN 0.880 nan 8.310 nan 0.000 0.523 281 G N 1.174 110.001 108.800 0.044 0.000 2.488 281 G HA2 0.139 4.099 3.960 -0.000 0.000 0.237 281 G HA3 0.139 4.099 3.960 -0.000 0.000 0.237 281 G C -0.030 174.875 174.900 0.009 0.000 1.209 281 G CA -0.189 44.913 45.100 0.002 0.000 0.929 281 G HN 1.479 nan 8.290 nan 0.000 0.578 282 A N 0.136 122.951 122.820 -0.008 0.000 2.454 282 A HA 0.587 4.907 4.320 -0.000 0.000 0.260 282 A C 1.323 178.925 177.584 0.031 0.000 1.106 282 A CA 1.364 53.409 52.037 0.013 0.000 0.780 282 A CB 0.531 19.535 19.000 0.007 0.000 1.044 282 A HN 1.207 nan 8.150 nan 0.000 0.498 283 E N 2.660 122.892 120.200 0.053 0.000 2.164 283 E HA -0.289 4.061 4.350 -0.000 0.000 0.206 283 E C 1.495 178.160 176.600 0.107 0.000 1.032 283 E CA 1.876 58.325 56.400 0.083 0.000 0.832 283 E CB -0.085 29.658 29.700 0.073 0.000 0.742 283 E HN 0.800 nan 8.360 nan 0.000 0.460 284 A N -0.251 122.617 122.820 0.080 0.000 2.302 284 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 284 A C 1.522 179.166 177.584 0.100 0.000 1.243 284 A CA 0.979 53.071 52.037 0.090 0.000 0.856 284 A CB -0.128 18.907 19.000 0.059 0.000 0.893 284 A HN 0.458 nan 8.150 nan 0.000 0.491 285 T N -6.275 108.329 114.554 0.082 0.000 2.992 285 T HA 0.427 4.777 4.350 -0.000 0.000 0.255 285 T C 0.496 175.155 174.700 -0.070 0.000 0.938 285 T CA 0.652 62.778 62.100 0.043 0.000 0.895 285 T CB 0.191 69.046 68.868 -0.021 0.000 1.221 285 T HN 0.263 nan 8.240 nan 0.000 0.512 286 S N -1.216 114.401 115.700 -0.137 0.000 2.815 286 S HA 0.735 5.205 4.470 -0.000 0.000 0.296 286 S C -1.440 172.994 174.600 -0.276 0.000 1.224 286 S CA 0.151 57.963 58.200 -0.646 0.000 0.938 286 S CB 1.150 63.944 63.200 -0.677 0.000 1.285 286 S HN 1.498 nan 8.310 nan 0.000 0.549 287 G N -0.072 108.518 108.800 -0.350 0.000 2.329 287 G HA2 0.260 4.220 3.960 -0.000 0.000 0.308 287 G HA3 0.260 4.220 3.960 -0.000 0.000 0.308 287 G C -1.662 173.339 174.900 0.168 0.000 1.587 287 G CA -0.293 44.842 45.100 0.058 0.000 0.978 287 G HN 1.000 nan 8.290 nan 0.000 0.685 288 V N 2.411 122.479 119.914 0.257 0.000 2.364 288 V HA 0.214 4.334 4.120 -0.000 0.000 0.252 288 V C 1.816 178.009 176.094 0.165 0.000 1.075 288 V CA 0.644 63.121 62.300 0.295 0.000 1.033 288 V CB 0.743 32.751 31.823 0.308 0.000 1.116 288 V HN 1.468 nan 8.190 nan 0.000 0.488 289 V N 2.370 122.319 119.914 0.059 0.000 3.541 289 V HA 0.634 4.754 4.120 -0.000 0.000 0.267 289 V C 0.809 176.883 176.094 -0.033 0.000 1.213 289 V CA 0.950 63.183 62.300 -0.112 0.000 1.149 289 V CB -0.339 31.120 31.823 -0.606 0.000 0.822 289 V HN 0.841 nan 8.190 nan 0.000 0.462 290 G N -1.896 106.958 108.800 0.091 0.000 2.338 290 G HA2 0.368 4.328 3.960 -0.000 0.000 0.295 290 G HA3 0.368 4.328 3.960 -0.000 0.000 0.295 290 G C -2.504 172.674 174.900 0.464 0.000 1.461 290 G CA -0.336 44.959 45.100 0.325 0.000 0.817 290 G HN 0.308 nan 8.290 nan 0.000 0.556 291 W N 1.706 123.244 121.300 0.397 0.000 2.756 291 W HA 0.602 5.262 4.660 -0.000 0.000 0.333 291 W C 0.161 176.902 176.519 0.371 0.000 1.025 291 W CA -0.299 57.216 57.345 0.283 0.000 1.246 291 W CB 1.637 31.149 29.460 0.086 0.000 1.358 291 W HN 0.954 nan 8.180 nan 0.000 0.444 292 G N 3.086 112.038 108.800 0.254 0.000 2.535 292 G HA2 0.129 4.088 3.960 -0.000 0.000 0.282 292 G HA3 0.129 4.088 3.960 -0.000 0.000 0.282 292 G C -0.188 174.733 174.900 0.034 0.000 1.350 292 G CA -0.607 44.641 45.100 0.246 0.000 1.039 292 G HN 0.515 nan 8.290 nan 0.000 0.509 293 N N 0.983 119.693 118.700 0.016 0.000 3.114 293 N HA 0.239 4.979 4.740 -0.000 0.000 0.289 293 N C -0.524 174.948 175.510 -0.063 0.000 1.519 293 N CA -0.050 52.997 53.050 -0.005 0.000 1.026 293 N CB 0.878 39.359 38.487 -0.010 0.000 1.306 293 N HN 0.214 nan 8.380 nan 0.000 0.495 294 M N 0.150 119.669 119.600 -0.136 0.000 2.530 294 M HA 0.338 4.818 4.480 -0.000 0.000 0.307 294 M C -0.412 175.833 176.300 -0.092 0.000 1.161 294 M CA -0.672 54.545 55.300 -0.138 0.000 0.903 294 M CB 2.025 34.469 32.600 -0.259 0.000 1.711 294 M HN -0.024 nan 8.290 nan 0.000 0.451 295 D N 1.731 122.102 120.400 -0.049 0.000 2.362 295 D HA 0.244 4.884 4.640 -0.000 0.000 0.242 295 D C -0.164 176.109 176.300 -0.045 0.000 1.132 295 D CA 0.572 54.566 54.000 -0.010 0.000 0.907 295 D CB 0.838 41.642 40.800 0.007 0.000 1.195 295 D HN 0.406 nan 8.370 nan 0.000 0.429 296 T N 1.697 116.244 114.554 -0.012 0.000 2.817 296 T HA 0.358 4.708 4.350 -0.000 0.000 0.293 296 T C 0.676 175.334 174.700 -0.070 0.000 0.964 296 T CA -0.491 61.579 62.100 -0.051 0.000 1.085 296 T CB 0.406 69.277 68.868 0.005 0.000 0.921 296 T HN 0.136 nan 8.240 nan 0.000 0.502 297 I N 3.343 123.852 120.570 -0.102 0.000 2.396 297 I HA 0.202 4.372 4.170 -0.000 0.000 0.289 297 I C -0.066 175.932 176.117 -0.199 0.000 1.056 297 I CA -0.534 60.685 61.300 -0.134 0.000 1.365 297 I CB 0.780 38.704 38.000 -0.126 0.000 1.407 297 I HN 0.234 nan 8.210 nan 0.000 0.509 298 V N 8.316 128.023 119.914 -0.345 0.000 2.394 298 V HA 0.428 4.548 4.120 -0.000 0.000 0.282 298 V C 0.140 175.883 176.094 -0.586 0.000 1.031 298 V CA -0.358 61.604 62.300 -0.564 0.000 0.881 298 V CB 1.614 32.785 31.823 -1.087 0.000 0.982 298 V HN 0.467 nan 8.190 nan 0.000 0.451 299 I N 5.658 125.983 120.570 -0.409 0.000 2.436 299 I HA 0.574 4.744 4.170 -0.000 0.000 0.289 299 I C -0.106 175.786 176.117 -0.375 0.000 1.010 299 I CA -0.634 60.484 61.300 -0.303 0.000 1.098 299 I CB 1.886 39.793 38.000 -0.155 0.000 1.266 299 I HN 0.527 nan 8.210 nan 0.000 0.434 300 R N 6.288 126.564 120.500 -0.373 0.000 2.388 300 R HA 0.597 4.937 4.340 -0.000 0.000 0.314 300 R C -1.881 174.250 176.300 -0.282 0.000 0.959 300 R CA -0.440 55.346 56.100 -0.523 0.000 0.851 300 R CB 1.556 31.494 30.300 -0.603 0.000 1.168 300 R HN 0.466 nan 8.270 nan 0.000 0.472 301 V N 3.722 123.490 119.914 -0.243 0.000 2.333 301 V HA 0.204 4.324 4.120 -0.000 0.000 0.274 301 V C 0.135 176.090 176.094 -0.232 0.000 1.028 301 V CA -0.447 61.685 62.300 -0.281 0.000 0.851 301 V CB 1.305 32.768 31.823 -0.599 0.000 1.000 301 V HN 0.770 nan 8.190 nan 0.000 0.456 302 S N 4.832 120.411 115.700 -0.201 0.000 2.430 302 S HA 0.671 5.141 4.470 -0.000 0.000 0.289 302 S C 0.104 174.601 174.600 -0.172 0.000 1.143 302 S CA -0.283 57.833 58.200 -0.140 0.000 1.067 302 S CB 0.599 63.743 63.200 -0.094 0.000 0.964 302 S HN 1.010 nan 8.310 nan 0.000 0.485 303 A N 7.200 129.946 122.820 -0.125 0.000 2.267 303 A HA 0.706 5.026 4.320 -0.000 0.000 0.315 303 A C -2.786 174.759 177.584 -0.065 0.000 1.297 303 A CA -1.716 50.244 52.037 -0.127 0.000 0.865 303 A CB 0.554 19.503 19.000 -0.084 0.000 1.165 303 A HN 0.632 nan 8.150 nan 0.000 0.513 304 P HA 0.290 nan 4.420 nan 0.000 0.276 304 P C -0.148 177.133 177.300 -0.031 0.000 1.252 304 P CA -0.452 62.626 63.100 -0.037 0.000 0.802 304 P CB 0.580 32.258 31.700 -0.035 0.000 1.035 305 E N 1.068 121.255 120.200 -0.022 0.000 2.502 305 E HA 0.279 4.629 4.350 -0.000 0.000 0.261 305 E C 0.581 177.167 176.600 -0.023 0.000 0.974 305 E CA 1.467 57.856 56.400 -0.018 0.000 0.936 305 E CB -0.734 28.958 29.700 -0.013 0.000 0.926 305 E HN 0.676 nan 8.360 nan 0.000 0.459 306 G N 2.790 111.579 108.800 -0.018 0.000 2.422 306 G HA2 0.090 4.050 3.960 -0.000 0.000 0.290 306 G HA3 0.090 4.050 3.960 -0.000 0.000 0.290 306 G C -0.318 174.567 174.900 -0.026 0.000 1.059 306 G CA 0.148 45.236 45.100 -0.019 0.000 1.242 306 G HN 0.853 nan 8.290 nan 0.000 0.520 307 A N 0.702 123.510 122.820 -0.019 0.000 2.466 307 A HA 0.678 4.998 4.320 -0.000 0.000 0.284 307 A C -0.134 177.454 177.584 0.008 0.000 1.049 307 A CA -0.243 51.784 52.037 -0.017 0.000 0.760 307 A CB 1.720 20.696 19.000 -0.040 0.000 1.274 307 A HN 1.478 nan 8.150 nan 0.000 0.412 308 V N 3.275 123.214 119.914 0.042 0.000 2.377 308 V HA 0.096 4.216 4.120 -0.000 0.000 0.254 308 V C -0.103 176.070 176.094 0.131 0.000 1.060 308 V CA 0.340 62.690 62.300 0.083 0.000 1.068 308 V CB -0.262 31.617 31.823 0.093 0.000 1.113 308 V HN 0.725 nan 8.190 nan 0.000 0.484 309 N N 3.219 121.963 118.700 0.073 0.000 2.776 309 N HA 0.343 5.083 4.740 -0.000 0.000 0.245 309 N C -0.310 175.350 175.510 0.249 0.000 1.121 309 N CA -0.157 52.867 53.050 -0.043 0.000 0.852 309 N CB 1.429 39.577 38.487 -0.566 0.000 1.142 309 N HN 0.715 nan 8.380 nan 0.000 0.514 310 S N 0.366 116.349 115.700 0.472 0.000 2.689 310 S HA 0.984 5.454 4.470 -0.000 0.000 0.306 310 S C -0.301 174.630 174.600 0.550 0.000 1.104 310 S CA -0.588 57.902 58.200 0.482 0.000 0.973 310 S CB 2.424 65.781 63.200 0.261 0.000 1.121 310 S HN 0.405 nan 8.310 nan 0.000 0.523 311 A N 0.202 123.270 122.820 0.413 0.000 2.438 311 A HA 0.671 4.991 4.320 -0.000 0.000 0.301 311 A C -1.865 175.843 177.584 0.207 0.000 1.101 311 A CA -0.861 51.344 52.037 0.280 0.000 0.621 311 A CB 0.220 19.392 19.000 0.286 0.000 1.350 311 A HN 0.859 nan 8.150 nan 0.000 0.496 312 I N 1.252 121.931 120.570 0.181 0.000 2.436 312 I HA 0.399 4.569 4.170 -0.000 0.000 0.289 312 I C -0.926 175.299 176.117 0.180 0.000 1.010 312 I CA -0.728 60.660 61.300 0.146 0.000 1.098 312 I CB 1.706 39.778 38.000 0.120 0.000 1.266 312 I HN 0.558 nan 8.210 nan 0.000 0.434 313 L N 7.019 128.291 121.223 0.082 0.000 2.309 313 L HA 0.561 4.901 4.340 -0.000 0.000 0.282 313 L C -0.860 175.990 176.870 -0.033 0.000 1.036 313 L CA -0.218 54.625 54.840 0.006 0.000 0.806 313 L CB 1.317 43.280 42.059 -0.160 0.000 1.220 313 L HN 0.672 nan 8.230 nan 0.000 0.429 314 K N 3.298 123.663 120.400 -0.058 0.000 2.375 314 K HA 0.844 5.164 4.320 -0.000 0.000 0.249 314 K C -1.370 174.901 176.600 -0.548 0.000 0.942 314 K CA -0.668 55.444 56.287 -0.292 0.000 0.806 314 K CB 2.377 34.721 32.500 -0.261 0.000 1.227 314 K HN 0.750 nan 8.250 nan 0.000 0.430 315 A N 2.660 125.077 122.820 -0.672 0.000 2.437 315 A HA 0.535 4.855 4.320 -0.000 0.000 0.293 315 A C -1.723 175.614 177.584 -0.411 0.000 1.038 315 A CA -0.793 50.974 52.037 -0.449 0.000 0.708 315 A CB 0.785 19.742 19.000 -0.071 0.000 1.251 315 A HN 0.591 nan 8.150 nan 0.000 0.409 316 W N 0.619 122.067 121.300 0.246 0.000 2.576 316 W HA 0.757 5.417 4.660 -0.000 0.000 0.360 316 W C -0.117 176.472 176.519 0.118 0.000 1.109 316 W CA -0.696 56.736 57.345 0.145 0.000 1.237 316 W CB 2.211 31.748 29.460 0.128 0.000 1.369 316 W HN 0.635 nan 8.180 nan 0.000 0.609 317 S N 1.028 116.856 115.700 0.213 0.000 2.550 317 S HA 0.164 4.634 4.470 -0.000 0.000 0.274 317 S C -1.246 173.387 174.600 0.054 0.000 1.110 317 S CA -0.548 57.734 58.200 0.136 0.000 1.013 317 S CB 0.651 63.891 63.200 0.067 0.000 1.152 317 S HN 0.394 nan 8.310 nan 0.000 0.450 318 c N 4.841 123.498 118.600 0.094 0.000 2.295 318 c HA 0.840 5.410 4.570 -0.000 0.000 0.331 318 c C -0.102 174.002 174.090 0.023 0.000 1.280 318 c CA -0.375 55.984 56.329 0.049 0.000 1.746 318 c CB -0.826 41.717 42.510 0.055 0.000 2.328 318 c HN 0.835 nan 8.230 nan 0.000 0.521 319 I N 5.159 125.685 120.570 -0.073 0.000 2.710 319 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 319 I C -1.085 174.913 176.117 -0.199 0.000 1.318 319 I CA -0.241 60.939 61.300 -0.200 0.000 1.045 319 I CB 1.852 39.501 38.000 -0.584 0.000 1.307 319 I HN 0.817 nan 8.210 nan 0.000 0.424 320 E N 6.476 126.640 120.200 -0.060 0.000 2.179 320 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 320 E C -2.040 174.581 176.600 0.034 0.000 0.945 320 E CA -0.648 55.773 56.400 0.035 0.000 0.792 320 E CB 1.707 31.508 29.700 0.169 0.000 1.125 320 E HN 0.530 nan 8.360 nan 0.000 0.397 321 Y N 1.086 121.439 120.300 0.089 0.000 2.429 321 Y HA 0.373 4.923 4.550 -0.000 0.000 0.342 321 Y C 0.439 176.304 175.900 -0.058 0.000 1.004 321 Y CA -1.373 56.753 58.100 0.044 0.000 1.075 321 Y CB 1.335 39.834 38.460 0.066 0.000 1.214 321 Y HN 0.274 nan 8.280 nan 0.000 0.455 322 R N 4.049 124.538 120.500 -0.019 0.000 2.389 322 R HA 0.301 4.641 4.340 -0.000 0.000 0.295 322 R C -2.731 173.589 176.300 0.033 0.000 1.075 322 R CA -1.433 54.621 56.100 -0.075 0.000 1.005 322 R CB 0.473 30.638 30.300 -0.224 0.000 0.987 322 R HN 0.442 nan 8.270 nan 0.000 0.452 323 P HA 0.263 nan 4.420 nan 0.000 0.289 323 P C -1.049 176.360 177.300 0.181 0.000 1.302 323 P CA -0.884 62.277 63.100 0.103 0.000 0.923 323 P CB 1.494 33.261 31.700 0.110 0.000 1.238 324 N N 1.953 120.711 118.700 0.097 0.000 2.434 324 N HA 0.159 4.899 4.740 -0.000 0.000 0.272 324 N C -1.422 174.011 175.510 -0.129 0.000 1.040 324 N CA -1.648 51.406 53.050 0.006 0.000 0.956 324 N CB 0.892 39.356 38.487 -0.038 0.000 1.108 324 N HN 0.335 nan 8.380 nan 0.000 0.481 325 P HA -0.138 nan 4.420 nan 0.000 0.234 325 P C 0.157 177.172 177.300 -0.475 0.000 1.162 325 P CA 1.120 63.645 63.100 -0.958 0.000 0.759 325 P CB 0.077 31.318 31.700 -0.765 0.000 0.813 326 N N -1.318 117.227 118.700 -0.258 0.000 2.230 326 N HA 0.287 5.027 4.740 -0.000 0.000 0.202 326 N C 0.311 175.743 175.510 -0.130 0.000 1.119 326 N CA -0.491 52.456 53.050 -0.172 0.000 0.851 326 N CB 0.278 38.692 38.487 -0.121 0.000 0.990 326 N HN -0.026 nan 8.380 nan 0.000 0.497 327 A N -0.011 122.736 122.820 -0.121 0.000 2.322 327 A HA 0.570 4.890 4.320 -0.000 0.000 0.327 327 A C 1.034 178.570 177.584 -0.080 0.000 1.134 327 A CA -0.749 51.236 52.037 -0.087 0.000 0.831 327 A CB 0.970 19.924 19.000 -0.076 0.000 1.288 327 A HN 0.212 nan 8.150 nan 0.000 0.472 328 M N 1.099 120.641 119.600 -0.096 0.000 2.082 328 M HA -0.162 4.318 4.480 -0.000 0.000 0.258 328 M C 1.212 177.404 176.300 -0.180 0.000 1.071 328 M CA 2.368 57.591 55.300 -0.129 0.000 1.103 328 M CB -1.182 31.362 32.600 -0.094 0.000 1.307 328 M HN 0.583 nan 8.290 nan 0.000 0.409 329 L N -0.361 120.799 121.223 -0.106 0.000 2.011 329 L HA -0.277 4.062 4.340 -0.000 0.000 0.225 329 L C 2.430 179.249 176.870 -0.085 0.000 1.084 329 L CA 2.358 57.160 54.840 -0.064 0.000 0.791 329 L CB -2.153 39.887 42.059 -0.032 0.000 0.898 329 L HN 0.511 nan 8.230 nan 0.000 0.440 330 Y N 0.331 120.536 120.300 -0.158 0.000 2.144 330 Y HA -0.426 4.124 4.550 -0.000 0.000 0.277 330 Y C 2.901 178.697 175.900 -0.174 0.000 1.229 330 Y CA 2.472 60.493 58.100 -0.131 0.000 1.144 330 Y CB -0.388 38.004 38.460 -0.113 0.000 0.953 330 Y HN 0.392 nan 8.280 nan 0.000 0.515 331 Q N -0.791 118.898 119.800 -0.185 0.000 2.234 331 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 331 Q C 0.848 176.658 176.000 -0.316 0.000 0.980 331 Q CA 1.598 57.192 55.803 -0.348 0.000 0.869 331 Q CB -0.399 27.970 28.738 -0.615 0.000 0.912 331 Q HN 0.643 nan 8.270 nan 0.000 0.436 332 F N -0.142 119.803 119.950 -0.008 0.000 2.684 332 F HA 0.375 4.902 4.527 -0.000 0.000 0.298 332 F C 0.957 176.754 175.800 -0.005 0.000 1.120 332 F CA -0.704 57.298 58.000 0.004 0.000 1.332 332 F CB 0.591 39.602 39.000 0.017 0.000 0.986 332 F HN -0.007 nan 8.300 nan 0.000 0.524 333 G N -0.100 108.696 108.800 -0.006 0.000 2.476 333 G HA2 0.502 4.462 3.960 -0.000 0.000 0.286 333 G HA3 0.502 4.462 3.960 -0.000 0.000 0.286 333 G C -1.259 173.607 174.900 -0.057 0.000 1.177 333 G CA -0.118 44.890 45.100 -0.153 0.000 0.870 333 G HN 0.511 nan 8.290 nan 0.000 0.528 334 H N -2.053 116.969 119.070 -0.080 0.000 3.017 334 H HA 0.465 5.021 4.556 -0.000 0.000 0.346 334 H C -1.302 173.978 175.328 -0.080 0.000 1.286 334 H CA -1.160 54.846 56.048 -0.070 0.000 1.120 334 H CB 0.960 30.701 29.762 -0.035 0.000 1.860 334 H HN 0.301 nan 8.280 nan 0.000 0.542 335 D N 0.819 121.259 120.400 0.066 0.000 2.350 335 D HA 0.124 4.764 4.640 -0.000 0.000 0.249 335 D C 0.187 176.495 176.300 0.014 0.000 1.119 335 D CA -0.136 53.837 54.000 -0.045 0.000 0.886 335 D CB 1.674 42.432 40.800 -0.071 0.000 1.195 335 D HN 0.502 nan 8.370 nan 0.000 0.437 336 S N 2.185 117.798 115.700 -0.145 0.000 2.566 336 S HA 0.083 4.553 4.470 -0.000 0.000 0.280 336 S C -2.225 172.320 174.600 -0.092 0.000 1.343 336 S CA -1.030 57.115 58.200 -0.091 0.000 1.036 336 S CB 0.381 63.442 63.200 -0.232 0.000 0.866 336 S HN 0.258 nan 8.310 nan 0.000 0.526 337 P HA 0.248 nan 4.420 nan 0.000 0.271 337 P C -2.620 174.605 177.300 -0.124 0.000 1.216 337 P CA -1.544 61.509 63.100 -0.078 0.000 0.776 337 P CB -0.076 31.582 31.700 -0.069 0.000 0.881 338 P HA -0.026 nan 4.420 nan 0.000 0.269 338 P C 0.172 177.406 177.300 -0.112 0.000 1.217 338 P CA -0.307 62.730 63.100 -0.106 0.000 0.783 338 P CB 0.403 32.056 31.700 -0.080 0.000 0.898 339 L N 1.970 123.135 121.223 -0.097 0.000 2.601 339 L HA 0.025 4.365 4.340 -0.000 0.000 0.277 339 L C 0.356 177.171 176.870 -0.091 0.000 1.219 339 L CA 1.029 55.809 54.840 -0.099 0.000 0.915 339 L CB -0.984 41.036 42.059 -0.066 0.000 1.160 339 L HN 0.358 nan 8.230 nan 0.000 0.494 340 D N 4.485 124.817 120.400 -0.114 0.000 2.502 340 D HA 0.056 4.696 4.640 -0.000 0.000 0.301 340 D C 0.492 176.748 176.300 -0.073 0.000 1.202 340 D CA -0.229 53.719 54.000 -0.087 0.000 0.878 340 D CB 0.436 41.176 40.800 -0.099 0.000 1.062 340 D HN 0.681 nan 8.370 nan 0.000 0.499 341 E N 0.439 120.611 120.200 -0.048 0.000 2.444 341 E HA -0.115 4.235 4.350 -0.000 0.000 0.205 341 E C 1.592 178.190 176.600 -0.002 0.000 1.054 341 E CA 0.817 57.203 56.400 -0.024 0.000 0.873 341 E CB 0.605 30.297 29.700 -0.012 0.000 0.793 341 E HN 0.448 nan 8.360 nan 0.000 0.549 342 V N -0.475 119.437 119.914 -0.003 0.000 2.492 342 V HA -0.003 4.117 4.120 -0.000 0.000 0.241 342 V C 2.366 178.488 176.094 0.046 0.000 1.041 342 V CA 1.133 63.445 62.300 0.020 0.000 1.057 342 V CB -0.686 31.146 31.823 0.015 0.000 0.711 342 V HN 0.175 nan 8.190 nan 0.000 0.468 343 A N 0.799 123.640 122.820 0.035 0.000 1.877 343 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 343 A C 2.161 179.836 177.584 0.152 0.000 1.186 343 A CA 1.721 53.819 52.037 0.101 0.000 0.620 343 A CB -0.743 18.295 19.000 0.063 0.000 0.822 343 A HN 0.495 nan 8.150 nan 0.000 0.443 344 L N -0.783 120.455 121.223 0.026 0.000 2.447 344 L HA -0.224 4.116 4.340 -0.000 0.000 0.225 344 L C 2.628 179.622 176.870 0.207 0.000 1.148 344 L CA 1.489 56.374 54.840 0.075 0.000 0.808 344 L CB -0.440 41.605 42.059 -0.024 0.000 0.928 344 L HN 0.567 nan 8.230 nan 0.000 0.448 345 Q N -0.061 119.836 119.800 0.162 0.000 2.159 345 Q HA -0.105 4.235 4.340 -0.000 0.000 0.194 345 Q C 2.107 178.210 176.000 0.171 0.000 0.968 345 Q CA 0.893 56.784 55.803 0.146 0.000 0.837 345 Q CB 0.180 28.969 28.738 0.084 0.000 0.920 345 Q HN 0.208 nan 8.270 nan 0.000 0.485 346 E N 0.037 120.325 120.200 0.146 0.000 2.038 346 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 346 E C 1.832 178.514 176.600 0.138 0.000 1.000 346 E CA 1.415 57.867 56.400 0.088 0.000 0.803 346 E CB -0.969 28.756 29.700 0.042 0.000 0.750 346 E HN 0.473 nan 8.360 nan 0.000 0.448 347 Y N 2.278 122.705 120.300 0.211 0.000 2.073 347 Y HA -0.377 4.173 4.550 -0.000 0.000 0.270 347 Y C 2.289 178.430 175.900 0.401 0.000 1.226 347 Y CA 2.656 61.018 58.100 0.436 0.000 1.117 347 Y CB -0.163 38.710 38.460 0.689 0.000 0.939 347 Y HN -0.024 nan 8.280 nan 0.000 0.504 348 R N -1.207 119.519 120.500 0.376 0.000 2.073 348 R HA -0.085 4.255 4.340 -0.000 0.000 0.229 348 R C 2.192 178.545 176.300 0.089 0.000 1.120 348 R CA 1.729 57.955 56.100 0.210 0.000 0.967 348 R CB -0.786 29.674 30.300 0.266 0.000 0.862 348 R HN 0.353 nan 8.270 nan 0.000 0.436 349 T N 1.248 115.844 114.554 0.069 0.000 2.770 349 T HA -0.062 4.288 4.350 -0.000 0.000 0.263 349 T C 2.144 176.830 174.700 -0.024 0.000 1.039 349 T CA 1.210 63.324 62.100 0.023 0.000 1.142 349 T CB -0.190 68.688 68.868 0.016 0.000 0.868 349 T HN -0.039 nan 8.240 nan 0.000 0.435 350 V N 2.243 122.092 119.914 -0.107 0.000 2.252 350 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 350 V C 2.927 178.993 176.094 -0.046 0.000 1.056 350 V CA 1.892 64.043 62.300 -0.247 0.000 1.022 350 V CB -1.514 29.840 31.823 -0.782 0.000 0.641 350 V HN 0.544 nan 8.190 nan 0.000 0.445 351 A N 0.362 123.260 122.820 0.130 0.000 1.859 351 A HA -0.362 3.958 4.320 -0.000 0.000 0.218 351 A C 2.422 180.066 177.584 0.101 0.000 1.209 351 A CA 2.732 54.920 52.037 0.252 0.000 0.639 351 A CB -0.839 18.173 19.000 0.019 0.000 0.835 351 A HN 0.508 nan 8.150 nan 0.000 0.450 352 R N -0.241 120.290 120.500 0.052 0.000 2.154 352 R HA -0.183 4.157 4.340 -0.000 0.000 0.248 352 R C 2.081 178.403 176.300 0.036 0.000 1.155 352 R CA 2.178 58.302 56.100 0.039 0.000 0.979 352 R CB -0.254 30.067 30.300 0.035 0.000 0.869 352 R HN 0.673 nan 8.270 nan 0.000 0.452 353 S N 0.478 116.197 115.700 0.031 0.000 2.412 353 S HA 0.108 4.578 4.470 -0.000 0.000 0.223 353 S C 0.964 175.584 174.600 0.033 0.000 1.048 353 S CA -0.210 58.004 58.200 0.023 0.000 0.954 353 S CB -0.133 63.069 63.200 0.003 0.000 0.840 353 S HN 0.172 nan 8.310 nan 0.000 0.503 354 L N 4.893 126.145 121.223 0.049 0.000 2.700 354 L HA 0.085 4.425 4.340 -0.000 0.000 0.276 354 L C -1.726 175.175 176.870 0.051 0.000 1.200 354 L CA -1.085 53.793 54.840 0.063 0.000 0.951 354 L CB -0.547 41.589 42.059 0.127 0.000 1.226 354 L HN 0.206 nan 8.230 nan 0.000 0.489 355 P HA -0.108 nan 4.420 nan 0.000 0.272 355 P C 1.159 178.470 177.300 0.019 0.000 1.210 355 P CA -0.252 62.868 63.100 0.034 0.000 0.789 355 P CB 0.748 32.465 31.700 0.027 0.000 0.849 356 V N 0.305 120.242 119.914 0.039 0.000 2.250 356 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 356 V C 1.434 177.495 176.094 -0.055 0.000 1.060 356 V CA 2.817 65.137 62.300 0.034 0.000 1.030 356 V CB -1.477 30.414 31.823 0.114 0.000 0.643 356 V HN 0.980 nan 8.190 nan 0.000 0.445 357 A N -1.956 120.761 122.820 -0.171 0.000 2.593 357 A HA 0.828 5.148 4.320 -0.000 0.000 0.304 357 A C -1.184 176.031 177.584 -0.616 0.000 1.233 357 A CA 0.197 51.988 52.037 -0.410 0.000 0.661 357 A CB 1.937 20.599 19.000 -0.563 0.000 1.338 357 A HN 0.632 nan 8.150 nan 0.000 0.495 358 V N 0.416 119.869 119.914 -0.768 0.000 3.177 358 V HA 0.459 4.579 4.120 -0.000 0.000 0.287 358 V C -1.009 174.875 176.094 -0.351 0.000 1.465 358 V CA -0.686 61.295 62.300 -0.531 0.000 1.020 358 V CB 1.830 33.555 31.823 -0.164 0.000 1.152 358 V HN 1.536 nan 8.190 nan 0.000 0.448 359 I N 3.030 123.533 120.570 -0.111 0.000 3.466 359 I HA 0.264 4.433 4.170 -0.000 0.000 0.272 359 I C 1.597 177.663 176.117 -0.085 0.000 1.305 359 I CA 1.008 62.299 61.300 -0.015 0.000 1.307 359 I CB -0.754 37.265 38.000 0.031 0.000 1.365 359 I HN 1.016 nan 8.210 nan 0.000 0.629 360 A N 3.651 126.403 122.820 -0.114 0.000 1.885 360 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 360 A C 1.750 179.278 177.584 -0.094 0.000 1.255 360 A CA 2.636 54.575 52.037 -0.165 0.000 0.692 360 A CB -1.453 17.466 19.000 -0.134 0.000 0.842 360 A HN 1.298 nan 8.150 nan 0.000 0.465 361 A N -1.391 121.397 122.820 -0.054 0.000 3.046 361 A HA 0.428 4.748 4.320 -0.000 0.000 0.259 361 A C 0.657 178.197 177.584 -0.074 0.000 1.843 361 A CA 0.953 52.964 52.037 -0.044 0.000 1.451 361 A CB -0.753 18.229 19.000 -0.030 0.000 1.025 361 A HN 0.601 nan 8.150 nan 0.000 0.625 362 Q N 0.180 119.911 119.800 -0.115 0.000 1.882 362 Q HA 0.038 4.378 4.340 -0.000 0.000 0.188 362 Q C -0.059 175.797 176.000 -0.239 0.000 0.795 362 Q CA -0.201 55.524 55.803 -0.131 0.000 0.932 362 Q CB 0.304 28.992 28.738 -0.082 0.000 1.239 362 Q HN 0.857 nan 8.270 nan 0.000 0.406 363 N N 0.000 118.477 118.700 -0.372 0.000 1.763 363 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 363 N CA 0.000 52.531 53.050 -0.865 0.000 0.885 363 N CB 0.000 37.968 38.487 -0.865 0.000 1.341 363 N HN 0.000 nan 8.380 nan 0.000 0.667