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 2wqz_1_B DATA FIRST_RESID 41 DATA SEQUENCE AAAQYPVVNT NYGKIRGLRT PLPNEILGPV EQYLGVPYAS PPTGERRFQP DATA SEQUENCE PEPPSSWTGI RNTTQFAAVc PQHLDERSLL HDMLPIWFTA NLDTLMTYVQ DATA SEQUENCE DQNEDcLYLN IYVPTEDDIH DQNSKKPVMV YIHGGSYMEG TGNMIDGSIL DATA SEQUENCE ASYGNVIVIT INYRLGILGF LSTGDQAAKG NYGLLDQIQA LRWIEENVGA DATA SEQUENCE FGGDPKRVTI FGSGAGASCV SLLTLSHYSE GLFQKAIIQS GTALSSWAVN DATA SEQUENCE YQPAKYTRIL ADKVGcNMLD TTDMVEcLRN KNYKELIQQT ITPATYHIAF DATA SEQUENCE GPVIDGDVIP DDPQILMEQG EFLNYDIMLG VNQGEGLKFV DGIVDNEDGV DATA SEQUENCE TPNDFDFSVS NFVDNLYGYP EGKDTLRETI KFMYTDWADK ENPETRRKTL DATA SEQUENCE VALFTDHQWV APAVATADLH AQYGSPTYFY AFYHHcQSEM KPSWADSAHG DATA SEQUENCE DEVPYVFGIP MIGPTELFSc NFSKNDVMLS AVVMTYWTNF AKTGDPNQPX DATA SEQUENCE XXXXXXXXXX XXXXEEVAWS RYNPKDQLYL HIGLKPRVRD HYRATKVAFW DATA SEQUENCE LELVPHLHN 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 41 A HA 0.000 nan 4.320 nan 0.000 0.244 41 A C 0.000 177.522 177.584 -0.103 0.000 1.274 41 A CA 0.000 51.989 52.037 -0.080 0.000 0.836 41 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 42 A N 0.467 123.266 122.820 -0.035 0.000 1.927 42 A HA 0.132 4.453 4.320 0.002 0.000 0.220 42 A C 2.434 179.979 177.584 -0.065 0.000 1.185 42 A CA 3.153 55.185 52.037 -0.008 0.000 0.639 42 A CB -1.313 17.691 19.000 0.007 0.000 0.820 42 A HN 1.941 nan 8.150 nan 0.000 0.451 43 A N -1.205 121.559 122.820 -0.092 0.000 1.986 43 A HA -0.294 4.027 4.320 0.002 0.000 0.220 43 A C 2.162 179.632 177.584 -0.189 0.000 1.171 43 A CA 1.968 53.944 52.037 -0.103 0.000 0.640 43 A CB -0.581 18.368 19.000 -0.085 0.000 0.811 43 A HN 0.694 nan 8.150 nan 0.000 0.451 44 Q N -1.667 117.895 119.800 -0.398 0.000 2.119 44 Q HA -0.131 4.210 4.340 0.002 0.000 0.201 44 Q C -0.485 175.143 176.000 -0.620 0.000 0.972 44 Q CA 0.982 56.411 55.803 -0.623 0.000 0.847 44 Q CB 0.025 28.176 28.738 -0.978 0.000 0.903 44 Q HN 0.817 nan 8.270 nan 0.000 0.433 45 Y N 0.727 120.995 120.300 -0.052 0.000 2.842 45 Y HA 0.421 4.971 4.550 0.001 0.000 0.334 45 Y C -2.236 173.640 175.900 -0.041 0.000 1.019 45 Y CA -3.444 54.602 58.100 -0.089 0.000 1.258 45 Y CB 0.283 38.674 38.460 -0.114 0.000 1.106 45 Y HN 0.083 nan 8.280 nan 0.000 0.545 46 P HA 0.085 nan 4.420 nan 0.000 0.274 46 P C -0.252 177.131 177.300 0.139 0.000 1.237 46 P CA -0.389 62.775 63.100 0.107 0.000 0.793 46 P CB 1.366 33.145 31.700 0.132 0.000 0.977 47 V N 2.540 122.524 119.914 0.117 0.000 2.427 47 V HA 0.102 4.223 4.120 0.002 0.000 0.268 47 V C 0.396 176.562 176.094 0.120 0.000 1.046 47 V CA -0.194 62.175 62.300 0.114 0.000 0.970 47 V CB 0.867 32.744 31.823 0.091 0.000 1.001 47 V HN 0.228 nan 8.190 nan 0.000 0.476 48 V N 5.251 125.235 119.914 0.117 0.000 2.313 48 V HA 0.292 4.413 4.120 0.002 0.000 0.278 48 V C 0.157 176.287 176.094 0.060 0.000 1.017 48 V CA -0.771 61.562 62.300 0.054 0.000 0.823 48 V CB 1.383 33.121 31.823 -0.142 0.000 1.010 48 V HN 0.904 nan 8.190 nan 0.000 0.443 49 N N 3.593 122.350 118.700 0.094 0.000 2.434 49 N HA 0.148 4.889 4.740 0.002 0.000 0.273 49 N C 0.602 176.181 175.510 0.114 0.000 1.210 49 N CA 0.025 53.134 53.050 0.098 0.000 0.992 49 N CB 0.530 39.059 38.487 0.071 0.000 1.355 49 N HN 0.835 nan 8.380 nan 0.000 0.495 50 T N -0.960 113.687 114.554 0.155 0.000 2.766 50 T HA 0.101 4.452 4.350 0.002 0.000 0.295 50 T C 1.038 175.783 174.700 0.074 0.000 1.024 50 T CA -0.367 61.850 62.100 0.194 0.000 1.018 50 T CB 0.640 69.754 68.868 0.409 0.000 1.002 50 T HN 0.419 nan 8.240 nan 0.000 0.532 51 N N -0.441 118.276 118.700 0.029 0.000 2.494 51 N HA 0.057 4.798 4.740 0.002 0.000 0.182 51 N C 0.598 175.862 175.510 -0.411 0.000 1.076 51 N CA 0.452 53.393 53.050 -0.183 0.000 0.908 51 N CB -0.168 38.166 38.487 -0.256 0.000 0.967 51 N HN 0.629 nan 8.380 nan 0.000 0.449 52 Y N -0.425 119.773 120.300 -0.169 0.000 2.457 52 Y HA 0.332 4.883 4.550 0.001 0.000 0.263 52 Y C 1.512 176.760 175.900 -1.086 0.000 1.164 52 Y CA -0.059 57.785 58.100 -0.426 0.000 1.274 52 Y CB 0.800 39.212 38.460 -0.080 0.000 1.097 52 Y HN 0.035 nan 8.280 nan 0.000 0.523 53 G N -0.390 108.140 108.800 -0.450 0.000 2.480 53 G HA2 0.099 4.060 3.960 0.002 0.000 0.109 53 G HA3 0.099 4.060 3.960 0.002 0.000 0.109 53 G C -1.393 173.576 174.900 0.115 0.000 1.172 53 G CA -1.029 43.788 45.100 -0.472 0.000 1.091 53 G HN -0.058 nan 8.290 nan 0.000 0.464 54 K N -0.067 120.593 120.400 0.433 0.000 2.385 54 K HA 0.791 5.112 4.320 0.002 0.000 0.248 54 K C -0.600 176.274 176.600 0.456 0.000 0.955 54 K CA -0.629 55.881 56.287 0.371 0.000 0.816 54 K CB 2.367 34.999 32.500 0.219 0.000 1.250 54 K HN 0.749 nan 8.250 nan 0.000 0.434 55 I N -1.846 118.869 120.570 0.242 0.000 3.095 55 I HA 0.625 4.796 4.170 0.002 0.000 0.310 55 I C -1.151 175.036 176.117 0.118 0.000 1.196 55 I CA -1.223 60.151 61.300 0.122 0.000 0.985 55 I CB 2.201 40.250 38.000 0.080 0.000 1.250 55 I HN 0.543 nan 8.210 nan 0.000 0.446 56 R N 2.019 122.552 120.500 0.055 0.000 2.808 56 R HA 0.931 5.272 4.340 0.002 0.000 0.272 56 R C -1.057 175.154 176.300 -0.148 0.000 0.995 56 R CA -0.861 55.259 56.100 0.034 0.000 0.917 56 R CB 2.160 32.487 30.300 0.044 0.000 1.217 56 R HN 0.990 nan 8.270 nan 0.000 0.471 57 G N 1.197 109.770 108.800 -0.378 0.000 2.725 57 G HA2 0.485 4.446 3.960 0.002 0.000 0.288 57 G HA3 0.485 4.446 3.960 0.002 0.000 0.288 57 G C -1.232 173.449 174.900 -0.365 0.000 1.399 57 G CA -1.174 43.584 45.100 -0.569 0.000 0.859 57 G HN 0.570 nan 8.290 nan 0.000 0.479 58 L N -0.727 120.319 121.223 -0.296 0.000 2.278 58 L HA 0.650 4.991 4.340 0.002 0.000 0.287 58 L C 0.574 177.389 176.870 -0.092 0.000 1.072 58 L CA -0.869 53.921 54.840 -0.083 0.000 0.819 58 L CB 0.976 42.960 42.059 -0.125 0.000 1.176 58 L HN 0.443 nan 8.230 nan 0.000 0.435 59 R N 3.375 123.866 120.500 -0.014 0.000 2.308 59 R HA 0.286 4.627 4.340 0.002 0.000 0.325 59 R C -1.045 175.248 176.300 -0.012 0.000 1.161 59 R CA -0.072 56.009 56.100 -0.032 0.000 1.022 59 R CB 0.019 30.284 30.300 -0.058 0.000 1.091 59 R HN 0.846 nan 8.270 nan 0.000 0.497 60 T N 7.199 121.751 114.554 -0.004 0.000 2.767 60 T HA 0.370 4.721 4.350 0.002 0.000 0.288 60 T C -2.412 172.297 174.700 0.015 0.000 0.963 60 T CA -1.420 60.681 62.100 0.002 0.000 1.019 60 T CB 1.675 70.541 68.868 -0.004 0.000 0.923 60 T HN 0.446 nan 8.240 nan 0.000 0.468 61 P HA 0.368 nan 4.420 nan 0.000 0.278 61 P C -0.676 176.629 177.300 0.008 0.000 1.258 61 P CA -0.882 62.224 63.100 0.010 0.000 0.811 61 P CB 0.505 32.205 31.700 0.000 0.000 1.063 62 L N 2.460 123.688 121.223 0.009 0.000 2.439 62 L HA 0.282 4.623 4.340 0.002 0.000 0.261 62 L C -1.091 175.774 176.870 -0.009 0.000 1.153 62 L CA -1.882 52.957 54.840 -0.002 0.000 0.808 62 L CB -0.757 41.300 42.059 -0.004 0.000 1.126 62 L HN 0.379 nan 8.230 nan 0.000 0.460 63 P HA 0.003 nan 4.420 nan 0.000 0.249 63 P C 0.073 177.361 177.300 -0.020 0.000 1.229 63 P CA 0.065 63.154 63.100 -0.018 0.000 0.788 63 P CB 0.103 31.790 31.700 -0.022 0.000 1.072 64 N N 1.319 120.005 118.700 -0.023 0.000 2.327 64 N HA 0.064 4.805 4.740 0.002 0.000 0.257 64 N C -0.582 174.921 175.510 -0.013 0.000 1.281 64 N CA -0.026 53.009 53.050 -0.024 0.000 0.942 64 N CB 0.928 39.394 38.487 -0.034 0.000 1.199 64 N HN 0.012 nan 8.380 nan 0.000 0.532 65 E N -0.528 119.665 120.200 -0.011 0.000 2.292 65 E HA 0.359 4.710 4.350 0.002 0.000 0.272 65 E C -0.054 176.548 176.600 0.003 0.000 0.881 65 E CA -0.803 55.594 56.400 -0.004 0.000 0.754 65 E CB 1.789 31.485 29.700 -0.006 0.000 1.201 65 E HN 0.475 nan 8.360 nan 0.000 0.425 66 I N 1.346 121.921 120.570 0.009 0.000 5.489 66 I HA -0.208 3.963 4.170 0.002 0.000 0.165 66 I C -1.209 174.925 176.117 0.028 0.000 1.813 66 I CA 0.866 62.176 61.300 0.017 0.000 2.013 66 I CB -0.590 37.420 38.000 0.016 0.000 3.348 66 I HN 0.583 nan 8.210 nan 0.000 0.172 67 L N -0.144 121.095 121.223 0.027 0.000 2.472 67 L HA 0.757 5.098 4.340 0.002 0.000 0.260 67 L C 0.111 176.998 176.870 0.029 0.000 0.963 67 L CA 0.556 55.420 54.840 0.039 0.000 0.829 67 L CB 1.747 43.844 42.059 0.063 0.000 1.348 67 L HN 0.083 nan 8.230 nan 0.000 0.408 68 G N 3.368 112.188 108.800 0.034 0.000 3.195 68 G HA2 0.646 4.607 3.960 0.002 0.000 0.217 68 G HA3 0.646 4.607 3.960 0.002 0.000 0.217 68 G C -3.105 171.817 174.900 0.037 0.000 1.166 68 G CA -0.756 44.360 45.100 0.027 0.000 0.812 68 G HN 0.406 nan 8.290 nan 0.000 0.617 69 P HA 0.368 nan 4.420 nan 0.000 0.269 69 P C -0.661 176.680 177.300 0.068 0.000 1.209 69 P CA -0.169 62.955 63.100 0.040 0.000 0.776 69 P CB 1.274 32.987 31.700 0.023 0.000 0.876 70 V N 2.800 122.766 119.914 0.087 0.000 2.448 70 V HA 0.235 4.356 4.120 0.002 0.000 0.295 70 V C 0.383 176.558 176.094 0.134 0.000 1.025 70 V CA -0.690 61.693 62.300 0.139 0.000 0.859 70 V CB 1.286 33.222 31.823 0.189 0.000 0.988 70 V HN 0.484 nan 8.190 nan 0.000 0.431 71 E N 3.322 123.619 120.200 0.162 0.000 2.383 71 E HA 0.385 4.736 4.350 0.002 0.000 0.264 71 E C -0.716 175.966 176.600 0.136 0.000 1.050 71 E CA -0.233 56.241 56.400 0.124 0.000 0.896 71 E CB 0.858 30.711 29.700 0.255 0.000 0.982 71 E HN 0.622 nan 8.360 nan 0.000 0.424 72 Q N 1.948 121.681 119.800 -0.111 0.000 2.292 72 Q HA 0.286 4.627 4.340 0.002 0.000 0.270 72 Q C -1.442 174.358 176.000 -0.334 0.000 1.024 72 Q CA -0.371 55.328 55.803 -0.174 0.000 0.768 72 Q CB 1.491 30.082 28.738 -0.246 0.000 1.250 72 Q HN 0.537 nan 8.270 nan 0.000 0.447 73 Y N 2.946 123.129 120.300 -0.195 0.000 2.919 73 Y HA 0.352 4.903 4.550 0.001 0.000 0.341 73 Y C -0.503 175.270 175.900 -0.211 0.000 1.045 73 Y CA -0.736 57.264 58.100 -0.166 0.000 1.218 73 Y CB 0.547 38.951 38.460 -0.093 0.000 1.137 73 Y HN 0.357 nan 8.280 nan 0.000 0.577 74 L N 1.621 122.718 121.223 -0.210 0.000 2.326 74 L HA 0.641 4.981 4.340 0.002 0.000 0.278 74 L C 1.131 177.893 176.870 -0.180 0.000 1.092 74 L CA -0.153 54.537 54.840 -0.251 0.000 0.810 74 L CB 1.146 42.846 42.059 -0.599 0.000 1.153 74 L HN 0.838 nan 8.230 nan 0.000 0.439 75 G N 1.929 110.672 108.800 -0.095 0.000 2.176 75 G HA2 -0.235 3.726 3.960 0.002 0.000 0.232 75 G HA3 -0.235 3.726 3.960 0.002 0.000 0.232 75 G C 0.178 174.990 174.900 -0.146 0.000 0.986 75 G CA -0.211 44.768 45.100 -0.202 0.000 0.643 75 G HN 0.388 nan 8.290 nan 0.000 0.522 76 V N 3.371 123.256 119.914 -0.049 0.000 2.644 76 V HA 0.327 4.448 4.120 0.002 0.000 0.305 76 V C -1.254 174.862 176.094 0.037 0.000 1.053 76 V CA 0.244 62.524 62.300 -0.032 0.000 1.186 76 V CB 1.064 32.844 31.823 -0.073 0.000 0.895 76 V HN 0.316 nan 8.190 nan 0.000 0.490 77 P HA 0.255 nan 4.420 nan 0.000 0.297 77 P C -0.392 176.747 177.300 -0.268 0.000 1.342 77 P CA -0.398 62.690 63.100 -0.020 0.000 0.801 77 P CB 0.497 32.266 31.700 0.115 0.000 0.920 78 Y N 2.637 122.697 120.300 -0.400 0.000 2.490 78 Y HA 0.556 5.107 4.550 0.002 0.000 0.285 78 Y C 0.543 176.374 175.900 -0.116 0.000 1.117 78 Y CA -0.301 57.519 58.100 -0.467 0.000 1.262 78 Y CB -0.053 38.147 38.460 -0.433 0.000 1.043 78 Y HN 0.319 nan 8.280 nan 0.000 0.553 79 A N 0.500 123.142 122.820 -0.297 0.000 2.464 79 A HA 0.765 5.086 4.320 0.002 0.000 0.268 79 A C -0.418 177.075 177.584 -0.151 0.000 1.244 79 A CA -0.728 51.226 52.037 -0.138 0.000 0.871 79 A CB 0.740 19.601 19.000 -0.233 0.000 1.400 79 A HN 0.214 nan 8.150 nan 0.000 0.455 80 S N 0.931 116.584 115.700 -0.078 0.000 2.654 80 S HA 0.608 5.079 4.470 0.002 0.000 0.283 80 S C -2.606 171.914 174.600 -0.133 0.000 1.180 80 S CA -1.007 57.156 58.200 -0.061 0.000 1.021 80 S CB 0.685 63.894 63.200 0.015 0.000 1.018 80 S HN 0.523 nan 8.310 nan 0.000 0.532 81 P HA 0.049 nan 4.420 nan 0.000 0.264 81 P C -2.510 174.728 177.300 -0.103 0.000 1.173 81 P CA -0.670 62.357 63.100 -0.122 0.000 0.761 81 P CB -0.404 31.262 31.700 -0.056 0.000 0.794 82 P HA 0.083 nan 4.420 nan 0.000 0.232 82 P C -0.110 177.144 177.300 -0.076 0.000 1.814 82 P CA -0.043 62.990 63.100 -0.112 0.000 1.085 82 P CB -0.151 31.450 31.700 -0.166 0.000 1.901 83 T N 1.403 115.933 114.554 -0.040 0.000 2.795 83 T HA 0.150 4.501 4.350 0.002 0.000 0.314 83 T C 2.018 176.725 174.700 0.011 0.000 1.069 83 T CA 0.959 63.055 62.100 -0.008 0.000 1.071 83 T CB 0.178 69.049 68.868 0.006 0.000 0.988 83 T HN 0.390 nan 8.240 nan 0.000 0.543 84 G N 1.218 110.040 108.800 0.037 0.000 2.759 84 G HA2 -0.313 3.648 3.960 0.002 0.000 0.224 84 G HA3 -0.313 3.648 3.960 0.002 0.000 0.224 84 G C 1.270 176.211 174.900 0.069 0.000 1.173 84 G CA 1.463 46.601 45.100 0.063 0.000 0.770 84 G HN 0.849 nan 8.290 nan 0.000 0.626 85 E N -0.075 120.154 120.200 0.048 0.000 2.216 85 E HA -0.009 4.342 4.350 0.002 0.000 0.192 85 E C 2.580 179.203 176.600 0.039 0.000 0.988 85 E CA 0.184 56.614 56.400 0.049 0.000 0.834 85 E CB 0.021 29.745 29.700 0.039 0.000 0.772 85 E HN 0.389 nan 8.360 nan 0.000 0.479 86 R N 0.902 121.412 120.500 0.017 0.000 2.310 86 R HA 0.145 4.486 4.340 0.002 0.000 0.202 86 R C 0.810 177.072 176.300 -0.064 0.000 0.933 86 R CA 0.045 56.139 56.100 -0.010 0.000 1.054 86 R CB 0.066 30.358 30.300 -0.014 0.000 0.985 86 R HN 0.019 nan 8.270 nan 0.000 0.489 87 R N 0.487 120.950 120.500 -0.062 0.000 2.615 87 R HA 0.115 4.456 4.340 0.002 0.000 0.270 87 R C -0.066 176.145 176.300 -0.147 0.000 1.081 87 R CA -0.306 55.677 56.100 -0.196 0.000 1.154 87 R CB 0.254 30.496 30.300 -0.096 0.000 1.063 87 R HN -0.016 nan 8.270 nan 0.000 0.519 88 F N -0.718 118.962 119.950 -0.450 0.000 3.093 88 F HA -0.308 4.220 4.527 0.001 0.000 0.283 88 F C 0.145 175.639 175.800 -0.509 0.000 0.848 88 F CA 0.975 58.538 58.000 -0.729 0.000 1.059 88 F CB -1.267 37.555 39.000 -0.297 0.000 1.191 88 F HN 0.461 nan 8.300 nan 0.000 0.514 89 Q N -1.548 118.108 119.800 -0.241 0.000 2.501 89 Q HA 0.532 4.873 4.340 0.002 0.000 0.288 89 Q C -2.460 173.622 176.000 0.137 0.000 1.051 89 Q CA -2.035 53.831 55.803 0.105 0.000 0.788 89 Q CB 1.321 30.108 28.738 0.082 0.000 1.469 89 Q HN -0.227 nan 8.270 nan 0.000 0.416 90 P HA 0.112 nan 4.420 nan 0.000 0.269 90 P C -2.393 174.942 177.300 0.058 0.000 1.211 90 P CA -0.495 62.671 63.100 0.111 0.000 0.781 90 P CB -0.232 31.503 31.700 0.059 0.000 0.877 91 P HA 0.399 nan 4.420 nan 0.000 0.303 91 P C -0.742 176.593 177.300 0.059 0.000 1.350 91 P CA -0.565 62.556 63.100 0.035 0.000 0.880 91 P CB 1.240 32.960 31.700 0.034 0.000 1.018 92 E N 3.782 124.015 120.200 0.056 0.000 2.371 92 E HA 0.343 4.693 4.350 0.002 0.000 0.257 92 E C -2.069 174.595 176.600 0.106 0.000 1.134 92 E CA -1.501 54.949 56.400 0.083 0.000 0.919 92 E CB -0.284 29.462 29.700 0.077 0.000 1.025 92 E HN 0.381 nan 8.360 nan 0.000 0.438 93 P HA 0.144 nan 4.420 nan 0.000 0.274 93 P C -2.483 174.957 177.300 0.232 0.000 1.237 93 P CA -1.140 62.087 63.100 0.213 0.000 0.793 93 P CB 0.038 31.935 31.700 0.329 0.000 0.977 94 P HA 0.098 nan 4.420 nan 0.000 0.280 94 P C -0.190 177.386 177.300 0.461 0.000 1.278 94 P CA 0.158 63.413 63.100 0.258 0.000 0.787 94 P CB 0.335 32.114 31.700 0.132 0.000 1.163 95 S N -1.536 114.410 115.700 0.410 0.000 3.012 95 S HA 0.576 5.047 4.470 0.002 0.000 0.254 95 S C 0.020 174.658 174.600 0.064 0.000 1.030 95 S CA -0.439 57.910 58.200 0.248 0.000 1.053 95 S CB 0.401 63.722 63.200 0.202 0.000 1.286 95 S HN 0.444 nan 8.310 nan 0.000 0.633 96 S N 0.085 115.760 115.700 -0.040 0.000 2.715 96 S HA 0.827 5.297 4.470 0.002 0.000 0.307 96 S C -1.795 172.798 174.600 -0.012 0.000 1.119 96 S CA -0.823 57.136 58.200 -0.401 0.000 0.937 96 S CB 1.099 64.126 63.200 -0.288 0.000 1.150 96 S HN 0.737 nan 8.310 nan 0.000 0.521 97 W N -1.063 120.279 121.300 0.069 0.000 3.573 97 W HA 0.477 5.138 4.660 0.001 0.000 0.306 97 W C -1.073 175.469 176.519 0.037 0.000 1.227 97 W CA -0.860 56.516 57.345 0.052 0.000 1.212 97 W CB -0.348 29.146 29.460 0.057 0.000 1.331 97 W HN 0.362 nan 8.180 nan 0.000 0.524 98 T N 4.155 118.838 114.554 0.215 0.000 2.761 98 T HA 0.347 4.698 4.350 0.002 0.000 0.262 98 T C 1.171 175.964 174.700 0.156 0.000 0.968 98 T CA 2.309 64.485 62.100 0.128 0.000 1.235 98 T CB -0.638 68.285 68.868 0.093 0.000 0.925 98 T HN 1.327 nan 8.240 nan 0.000 0.545 99 G N 4.445 113.324 108.800 0.132 0.000 2.609 99 G HA2 -0.250 3.711 3.960 0.002 0.000 0.288 99 G HA3 -0.250 3.711 3.960 0.002 0.000 0.288 99 G C -0.038 175.013 174.900 0.252 0.000 1.211 99 G CA 0.172 45.357 45.100 0.141 0.000 0.963 99 G HN 0.757 nan 8.290 nan 0.000 0.541 100 I N 0.652 121.348 120.570 0.210 0.000 2.910 100 I HA 0.775 4.946 4.170 0.002 0.000 0.310 100 I C 0.300 176.460 176.117 0.071 0.000 1.043 100 I CA -0.989 60.422 61.300 0.185 0.000 1.053 100 I CB 2.125 40.185 38.000 0.099 0.000 1.242 100 I HN 0.605 nan 8.210 nan 0.000 0.452 101 R N 2.630 123.097 120.500 -0.054 0.000 2.512 101 R HA 0.286 4.627 4.340 0.002 0.000 0.291 101 R C -1.502 174.668 176.300 -0.217 0.000 1.097 101 R CA -0.720 55.231 56.100 -0.249 0.000 0.940 101 R CB 1.396 31.278 30.300 -0.697 0.000 1.198 101 R HN 0.651 nan 8.270 nan 0.000 0.429 102 N N 1.622 120.203 118.700 -0.197 0.000 2.357 102 N HA -0.051 4.690 4.740 0.002 0.000 0.257 102 N C -0.353 175.022 175.510 -0.225 0.000 1.250 102 N CA 0.994 53.925 53.050 -0.199 0.000 0.862 102 N CB 0.795 39.169 38.487 -0.189 0.000 1.066 102 N HN 0.525 nan 8.380 nan 0.000 0.468 103 T N -0.357 114.069 114.554 -0.213 0.000 3.160 103 T HA 0.417 4.768 4.350 0.002 0.000 0.346 103 T C 0.009 174.569 174.700 -0.235 0.000 1.027 103 T CA -0.302 61.673 62.100 -0.209 0.000 1.287 103 T CB -0.435 68.349 68.868 -0.140 0.000 0.997 103 T HN 0.580 nan 8.240 nan 0.000 0.518 104 T N 0.339 114.735 114.554 -0.264 0.000 3.172 104 T HA 0.292 4.643 4.350 0.002 0.000 0.261 104 T C 0.345 174.844 174.700 -0.335 0.000 0.854 104 T CA -0.283 61.634 62.100 -0.304 0.000 0.848 104 T CB 0.017 68.714 68.868 -0.284 0.000 1.267 104 T HN 0.512 nan 8.240 nan 0.000 0.581 105 Q N 0.987 120.619 119.800 -0.280 0.000 2.243 105 Q HA 0.572 4.913 4.340 0.002 0.000 0.252 105 Q C -1.057 174.807 176.000 -0.226 0.000 0.909 105 Q CA -0.898 54.756 55.803 -0.249 0.000 0.922 105 Q CB 0.929 29.569 28.738 -0.163 0.000 1.215 105 Q HN 0.263 nan 8.270 nan 0.000 0.427 106 F N 1.586 121.460 119.950 -0.128 0.000 2.623 106 F HA -0.014 4.514 4.527 0.001 0.000 0.383 106 F C 0.936 176.652 175.800 -0.139 0.000 1.077 106 F CA 0.138 58.077 58.000 -0.102 0.000 1.268 106 F CB 0.049 39.032 39.000 -0.028 0.000 1.053 106 F HN 0.543 nan 8.300 nan 0.000 0.571 107 A N 3.298 126.120 122.820 0.003 0.000 2.280 107 A HA 0.720 5.041 4.320 0.002 0.000 0.268 107 A C 0.499 178.059 177.584 -0.040 0.000 1.111 107 A CA -0.206 51.719 52.037 -0.188 0.000 0.814 107 A CB -0.088 18.532 19.000 -0.634 0.000 1.093 107 A HN 0.988 nan 8.150 nan 0.000 0.498 108 A N -0.884 121.900 122.820 -0.060 0.000 2.250 108 A HA 0.497 4.818 4.320 0.002 0.000 0.284 108 A C 0.307 177.905 177.584 0.023 0.000 1.269 108 A CA 0.721 52.751 52.037 -0.013 0.000 0.834 108 A CB -0.476 18.506 19.000 -0.031 0.000 1.146 108 A HN 1.492 nan 8.150 nan 0.000 0.509 109 V N -3.075 116.832 119.914 -0.011 0.000 3.167 109 V HA 0.459 4.580 4.120 0.002 0.000 0.310 109 V C -0.279 175.791 176.094 -0.041 0.000 1.207 109 V CA -0.909 61.376 62.300 -0.025 0.000 1.059 109 V CB 1.331 33.121 31.823 -0.055 0.000 1.079 109 V HN 1.064 nan 8.190 nan 0.000 0.446 110 c N 0.828 119.399 118.600 -0.048 0.000 2.358 110 c HA 0.491 5.062 4.570 0.002 0.000 0.354 110 c C -2.220 171.849 174.090 -0.035 0.000 1.183 110 c CA -1.247 55.052 56.329 -0.050 0.000 2.150 110 c CB 0.591 43.061 42.510 -0.067 0.000 2.361 110 c HN 0.743 nan 8.230 nan 0.000 0.535 111 P HA -0.141 nan 4.420 nan 0.000 0.041 111 P C -0.433 176.867 177.300 0.000 0.000 0.590 111 P CA 1.219 64.326 63.100 0.013 0.000 1.019 111 P CB -0.549 31.158 31.700 0.011 0.000 1.776 112 Q N 1.598 121.382 119.800 -0.026 0.000 2.243 112 Q HA 0.351 4.692 4.340 0.002 0.000 0.252 112 Q C 0.139 176.123 176.000 -0.027 0.000 0.909 112 Q CA 0.100 55.888 55.803 -0.024 0.000 0.922 112 Q CB 1.596 30.304 28.738 -0.051 0.000 1.215 112 Q HN 0.404 nan 8.270 nan 0.000 0.427 113 H N 1.547 120.615 119.070 -0.003 0.000 3.289 113 H HA 0.228 4.785 4.556 0.001 0.000 0.330 113 H C -1.479 173.840 175.328 -0.016 0.000 1.187 113 H CA -0.371 55.670 56.048 -0.011 0.000 1.601 113 H CB 0.528 30.282 29.762 -0.014 0.000 1.997 113 H HN 0.633 nan 8.280 nan 0.000 0.489 114 L N 3.286 124.616 121.223 0.179 0.000 2.371 114 L HA 0.451 4.792 4.340 0.002 0.000 0.272 114 L C -0.568 176.323 176.870 0.035 0.000 1.124 114 L CA 0.108 54.988 54.840 0.067 0.000 0.816 114 L CB 0.636 42.694 42.059 -0.001 0.000 1.129 114 L HN 0.404 nan 8.230 nan 0.000 0.448 115 D N 2.578 122.972 120.400 -0.010 0.000 2.896 115 D HA 0.215 4.856 4.640 0.002 0.000 0.241 115 D C -0.913 175.358 176.300 -0.048 0.000 1.188 115 D CA -0.383 53.595 54.000 -0.036 0.000 0.879 115 D CB 1.890 42.661 40.800 -0.048 0.000 1.553 115 D HN 0.579 nan 8.370 nan 0.000 0.515 116 E N 0.655 120.816 120.200 -0.065 0.000 2.812 116 E HA -0.145 4.206 4.350 0.002 0.000 0.276 116 E C 0.201 176.766 176.600 -0.058 0.000 0.946 116 E CA 0.955 57.305 56.400 -0.084 0.000 0.971 116 E CB 0.219 29.872 29.700 -0.079 0.000 0.960 116 E HN 0.287 nan 8.360 nan 0.000 0.479 117 R N 1.291 121.749 120.500 -0.071 0.000 3.358 117 R HA -0.226 4.115 4.340 0.002 0.000 0.248 117 R C -0.518 175.796 176.300 0.024 0.000 0.981 117 R CA 0.800 56.900 56.100 0.000 0.000 0.662 117 R CB -1.782 28.522 30.300 0.008 0.000 1.037 117 R HN 0.262 nan 8.270 nan 0.000 0.460 118 S N -0.038 115.670 115.700 0.015 0.000 2.825 118 S HA 0.227 4.698 4.470 0.002 0.000 0.242 118 S C 0.144 174.762 174.600 0.031 0.000 0.980 118 S CA -0.670 57.541 58.200 0.019 0.000 1.107 118 S CB 0.660 63.857 63.200 -0.004 0.000 1.172 118 S HN 0.183 nan 8.310 nan 0.000 0.483 119 L N 1.984 123.244 121.223 0.063 0.000 3.259 119 L HA 0.223 4.564 4.340 0.002 0.000 0.292 119 L C 0.978 177.900 176.870 0.088 0.000 1.219 119 L CA 0.267 55.151 54.840 0.075 0.000 1.035 119 L CB -0.156 41.946 42.059 0.071 0.000 1.424 119 L HN 0.287 nan 8.230 nan 0.000 0.603 120 L N -0.086 121.187 121.223 0.083 0.000 3.445 120 L HA -0.461 3.880 4.340 0.002 0.000 0.349 120 L C 1.625 178.481 176.870 -0.024 0.000 4.406 120 L CA 2.857 57.717 54.840 0.033 0.000 0.588 120 L CB -2.231 39.825 42.059 -0.006 0.000 3.515 120 L HN 0.731 nan 8.230 nan 0.000 0.667 121 H N -0.411 118.641 119.070 -0.030 0.000 4.820 121 H HA -0.279 4.277 4.556 0.001 0.000 0.092 121 H C 1.110 176.435 175.328 -0.006 0.000 0.591 121 H CA 1.869 57.904 56.048 -0.021 0.000 1.165 121 H CB -2.096 27.659 29.762 -0.012 0.000 0.547 121 H HN 0.667 nan 8.280 nan 0.000 0.670 122 D N 2.464 122.590 120.400 -0.456 0.000 2.133 122 D HA -0.133 4.508 4.640 0.002 0.000 0.192 122 D C 1.858 178.091 176.300 -0.112 0.000 1.001 122 D CA 2.292 56.195 54.000 -0.161 0.000 0.844 122 D CB -0.291 40.571 40.800 0.103 0.000 0.944 122 D HN 0.764 nan 8.370 nan 0.000 0.447 123 M N 0.214 119.550 119.600 -0.440 0.000 3.344 123 M HA 0.434 4.915 4.480 0.002 0.000 0.224 123 M C -1.169 174.866 176.300 -0.441 0.000 1.164 123 M CA -0.584 54.236 55.300 -0.799 0.000 1.135 123 M CB 0.300 31.703 32.600 -1.994 0.000 1.228 123 M HN -0.205 nan 8.290 nan 0.000 0.586 124 L N -2.658 118.462 121.223 -0.171 0.000 2.582 124 L HA 0.833 5.174 4.340 0.002 0.000 0.257 124 L C -3.118 173.795 176.870 0.071 0.000 0.974 124 L CA -2.411 52.393 54.840 -0.059 0.000 0.851 124 L CB -0.116 41.907 42.059 -0.060 0.000 1.424 124 L HN -0.046 nan 8.230 nan 0.000 0.412 125 P HA 0.006 nan 4.420 nan 0.000 0.261 125 P C 1.132 178.297 177.300 -0.225 0.000 1.158 125 P CA 0.141 63.099 63.100 -0.237 0.000 0.758 125 P CB 0.444 31.577 31.700 -0.944 0.000 0.763 126 I N 4.840 125.381 120.570 -0.048 0.000 2.264 126 I HA -0.180 3.991 4.170 0.002 0.000 0.248 126 I C 1.753 177.873 176.117 0.004 0.000 1.111 126 I CA 1.657 62.969 61.300 0.020 0.000 1.382 126 I CB -0.759 37.290 38.000 0.080 0.000 1.060 126 I HN 0.587 nan 8.210 nan 0.000 0.418 127 W N -0.627 120.683 121.300 0.017 0.000 2.611 127 W HA -0.204 4.457 4.660 0.001 0.000 0.251 127 W C 1.759 178.265 176.519 -0.022 0.000 1.265 127 W CA -0.013 57.297 57.345 -0.060 0.000 1.295 127 W CB -1.493 27.850 29.460 -0.194 0.000 1.129 127 W HN 0.121 nan 8.180 nan 0.000 0.630 128 F N 2.287 121.829 119.950 -0.681 0.000 2.656 128 F HA 0.214 4.742 4.527 0.001 0.000 0.291 128 F C 1.454 177.080 175.800 -0.290 0.000 1.122 128 F CA 0.813 58.449 58.000 -0.608 0.000 1.427 128 F CB -0.275 38.180 39.000 -0.908 0.000 1.125 128 F HN -0.338 nan 8.300 nan 0.000 0.583 129 T N 2.101 116.538 114.554 -0.196 0.000 3.766 129 T HA 0.607 4.958 4.350 0.002 0.000 0.327 129 T C -0.744 173.853 174.700 -0.172 0.000 1.595 129 T CA 0.610 62.593 62.100 -0.194 0.000 1.204 129 T CB -1.324 67.500 68.868 -0.073 0.000 1.245 129 T HN 0.472 nan 8.240 nan 0.000 0.875 130 A N 3.337 126.023 122.820 -0.223 0.000 1.923 130 A HA 0.364 4.684 4.320 0.002 0.000 0.322 130 A C 0.509 178.007 177.584 -0.144 0.000 0.702 130 A CA -0.365 51.583 52.037 -0.148 0.000 0.530 130 A CB -0.723 18.230 19.000 -0.077 0.000 1.493 130 A HN 0.550 nan 8.150 nan 0.000 0.353 131 N N -0.897 117.729 118.700 -0.123 0.000 2.972 131 N HA -0.254 4.487 4.740 0.002 0.000 0.225 131 N C 0.958 176.374 175.510 -0.156 0.000 0.883 131 N CA 1.635 54.626 53.050 -0.100 0.000 1.010 131 N CB -2.025 36.440 38.487 -0.036 0.000 1.052 131 N HN 0.965 nan 8.380 nan 0.000 0.598 132 L N 1.028 122.089 121.223 -0.270 0.000 2.058 132 L HA -0.373 3.968 4.340 0.002 0.000 0.226 132 L C 2.303 179.046 176.870 -0.212 0.000 1.089 132 L CA 2.451 57.074 54.840 -0.362 0.000 0.799 132 L CB -0.825 41.009 42.059 -0.375 0.000 0.900 132 L HN 0.437 nan 8.230 nan 0.000 0.442 133 D N -1.351 118.957 120.400 -0.153 0.000 2.177 133 D HA -0.306 4.335 4.640 0.002 0.000 0.189 133 D C 1.964 178.208 176.300 -0.092 0.000 1.002 133 D CA 2.399 56.336 54.000 -0.104 0.000 0.845 133 D CB -0.979 39.773 40.800 -0.080 0.000 0.960 133 D HN 0.325 nan 8.370 nan 0.000 0.447 134 T N 0.438 114.945 114.554 -0.078 0.000 3.007 134 T HA -0.029 4.322 4.350 0.002 0.000 0.270 134 T C 1.756 176.413 174.700 -0.072 0.000 1.107 134 T CA 0.899 62.968 62.100 -0.051 0.000 1.118 134 T CB -0.170 68.683 68.868 -0.025 0.000 0.889 134 T HN 0.297 nan 8.240 nan 0.000 0.506 135 L N -2.162 118.999 121.223 -0.104 0.000 2.408 135 L HA 0.402 4.742 4.340 0.002 0.000 0.215 135 L C 2.072 178.774 176.870 -0.281 0.000 1.081 135 L CA 0.856 55.590 54.840 -0.176 0.000 0.840 135 L CB -1.305 40.745 42.059 -0.014 0.000 1.002 135 L HN 0.258 nan 8.230 nan 0.000 0.468 136 M N 1.873 121.364 119.600 -0.181 0.000 2.549 136 M HA -0.014 4.467 4.480 0.002 0.000 0.260 136 M C 0.477 176.667 176.300 -0.183 0.000 1.076 136 M CA 0.826 56.025 55.300 -0.168 0.000 1.090 136 M CB -0.209 32.322 32.600 -0.115 0.000 1.418 136 M HN 0.439 nan 8.290 nan 0.000 0.486 137 T N -1.412 113.032 114.554 -0.182 0.000 2.870 137 T HA 0.084 4.435 4.350 0.002 0.000 0.300 137 T C 0.415 174.983 174.700 -0.220 0.000 0.989 137 T CA -0.118 61.916 62.100 -0.111 0.000 1.139 137 T CB 0.181 69.041 68.868 -0.014 0.000 0.920 137 T HN 0.639 nan 8.240 nan 0.000 0.537 138 Y N 0.047 120.338 120.300 -0.016 0.000 4.899 138 Y HA -0.275 4.275 4.550 0.001 0.000 0.241 138 Y C 0.060 175.932 175.900 -0.047 0.000 0.976 138 Y CA 0.928 59.020 58.100 -0.015 0.000 1.952 138 Y CB -2.400 36.068 38.460 0.014 0.000 1.496 138 Y HN 0.411 nan 8.280 nan 0.000 0.545 139 V N 2.780 122.533 119.914 -0.267 0.000 3.444 139 V HA -0.020 4.100 4.120 0.002 0.000 0.308 139 V C 2.092 178.122 176.094 -0.107 0.000 1.371 139 V CA 0.884 63.070 62.300 -0.190 0.000 1.141 139 V CB 0.505 32.181 31.823 -0.245 0.000 1.037 139 V HN 0.728 nan 8.190 nan 0.000 0.433 140 Q N 0.367 120.125 119.800 -0.070 0.000 2.204 140 Q HA -0.046 4.295 4.340 0.002 0.000 0.198 140 Q C 0.094 176.063 176.000 -0.052 0.000 0.946 140 Q CA 1.167 56.933 55.803 -0.062 0.000 0.859 140 Q CB -0.226 28.486 28.738 -0.042 0.000 0.946 140 Q HN 0.480 nan 8.270 nan 0.000 0.474 141 D N 2.728 123.107 120.400 -0.035 0.000 2.470 141 D HA 0.176 4.817 4.640 0.002 0.000 0.226 141 D C -0.555 175.710 176.300 -0.058 0.000 1.196 141 D CA -0.033 53.942 54.000 -0.042 0.000 0.979 141 D CB 0.476 41.256 40.800 -0.034 0.000 1.059 141 D HN 0.139 nan 8.370 nan 0.000 0.515 142 Q N 1.405 121.162 119.800 -0.070 0.000 2.631 142 Q HA 0.410 4.751 4.340 0.002 0.000 0.210 142 Q C 0.074 175.995 176.000 -0.131 0.000 1.094 142 Q CA 0.055 55.809 55.803 -0.082 0.000 1.055 142 Q CB 0.691 29.388 28.738 -0.069 0.000 1.261 142 Q HN 0.397 nan 8.270 nan 0.000 0.615 143 N N -1.163 117.443 118.700 -0.157 0.000 3.452 143 N HA -0.021 4.720 4.740 0.002 0.000 0.231 143 N C -0.185 175.200 175.510 -0.209 0.000 1.264 143 N CA -0.312 52.580 53.050 -0.263 0.000 0.928 143 N CB 0.824 39.208 38.487 -0.171 0.000 1.547 143 N HN 0.455 nan 8.380 nan 0.000 0.509 144 E N 0.944 120.978 120.200 -0.278 0.000 2.021 144 E HA -0.195 4.156 4.350 0.002 0.000 0.200 144 E C -0.168 176.362 176.600 -0.117 0.000 1.015 144 E CA 1.675 57.994 56.400 -0.134 0.000 0.824 144 E CB -0.389 29.256 29.700 -0.093 0.000 0.762 144 E HN 0.681 nan 8.360 nan 0.000 0.454 145 D N -0.239 120.096 120.400 -0.110 0.000 2.349 145 D HA -0.061 4.580 4.640 0.002 0.000 0.266 145 D C 0.423 176.697 176.300 -0.043 0.000 1.293 145 D CA 0.116 54.055 54.000 -0.102 0.000 0.926 145 D CB 0.055 40.826 40.800 -0.048 0.000 1.090 145 D HN 0.142 nan 8.370 nan 0.000 0.502 146 c N 3.127 121.653 118.600 -0.124 0.000 3.785 146 c HA 0.313 4.884 4.570 0.002 0.000 0.312 146 c C 0.769 174.724 174.090 -0.226 0.000 1.566 146 c CA -0.843 55.472 56.329 -0.023 0.000 1.837 146 c CB -1.325 41.171 42.510 -0.024 0.000 2.826 146 c HN 0.545 nan 8.230 nan 0.000 0.667 147 L N 2.449 123.251 121.223 -0.702 0.000 2.448 147 L HA 0.356 4.697 4.340 0.002 0.000 0.278 147 L C -1.063 174.905 176.870 -1.505 0.000 1.201 147 L CA 0.710 54.960 54.840 -0.983 0.000 1.036 147 L CB -0.904 40.616 42.059 -0.898 0.000 1.325 147 L HN 0.364 nan 8.230 nan 0.000 0.441 148 Y N 2.231 122.266 120.300 -0.441 0.000 2.504 148 Y HA 0.566 5.117 4.550 0.001 0.000 0.344 148 Y C -0.314 175.616 175.900 0.051 0.000 1.023 148 Y CA -1.480 56.470 58.100 -0.250 0.000 1.020 148 Y CB 1.875 40.249 38.460 -0.144 0.000 1.282 148 Y HN 0.198 nan 8.280 nan 0.000 0.454 149 L N 0.610 121.968 121.223 0.225 0.000 2.346 149 L HA 0.708 5.049 4.340 0.002 0.000 0.276 149 L C -0.897 176.046 176.870 0.122 0.000 1.006 149 L CA -1.309 53.655 54.840 0.207 0.000 0.817 149 L CB 1.167 43.304 42.059 0.129 0.000 1.272 149 L HN 0.418 nan 8.230 nan 0.000 0.421 150 N N 3.458 122.261 118.700 0.171 0.000 2.456 150 N HA 0.591 5.332 4.740 0.002 0.000 0.288 150 N C -0.886 174.679 175.510 0.092 0.000 1.059 150 N CA -0.109 52.999 53.050 0.097 0.000 0.946 150 N CB 2.357 40.939 38.487 0.158 0.000 1.150 150 N HN 0.684 nan 8.380 nan 0.000 0.479 151 I N 2.742 123.329 120.570 0.030 0.000 2.495 151 I HA 0.190 4.361 4.170 0.002 0.000 0.277 151 I C -0.876 175.345 176.117 0.173 0.000 1.045 151 I CA -0.611 60.796 61.300 0.179 0.000 1.135 151 I CB 0.417 38.601 38.000 0.307 0.000 1.241 151 I HN 0.323 nan 8.210 nan 0.000 0.469 152 Y N 5.428 125.880 120.300 0.253 0.000 2.504 152 Y HA 0.350 4.901 4.550 0.002 0.000 0.351 152 Y C 0.244 176.275 175.900 0.219 0.000 0.988 152 Y CA -0.661 57.576 58.100 0.228 0.000 1.239 152 Y CB 0.598 39.164 38.460 0.176 0.000 1.128 152 Y HN 0.191 nan 8.280 nan 0.000 0.525 153 V N 6.379 126.514 119.914 0.367 0.000 2.398 153 V HA 0.365 4.486 4.120 0.002 0.000 0.286 153 V C -2.222 174.016 176.094 0.240 0.000 1.026 153 V CA -2.598 59.871 62.300 0.282 0.000 0.868 153 V CB 1.483 33.484 31.823 0.297 0.000 0.982 153 V HN 0.503 nan 8.190 nan 0.000 0.443 154 P HA 0.214 nan 4.420 nan 0.000 0.272 154 P C 0.677 178.050 177.300 0.122 0.000 1.230 154 P CA -0.082 63.100 63.100 0.138 0.000 0.788 154 P CB 0.529 32.291 31.700 0.104 0.000 0.949 155 T N -1.141 113.471 114.554 0.098 0.000 5.611 155 T HA 0.092 4.443 4.350 0.002 0.000 0.362 155 T C 0.120 174.860 174.700 0.066 0.000 0.956 155 T CA -0.043 62.104 62.100 0.079 0.000 0.994 155 T CB -0.895 68.007 68.868 0.057 0.000 1.461 155 T HN 0.635 nan 8.240 nan 0.000 0.375 156 E N 1.340 121.570 120.200 0.050 0.000 7.415 156 E HA -0.190 4.161 4.350 0.002 0.000 0.435 156 E C -1.586 175.040 176.600 0.043 0.000 0.434 156 E CA 0.547 56.972 56.400 0.043 0.000 0.755 156 E CB -1.166 28.560 29.700 0.043 0.000 0.947 156 E HN 0.886 nan 8.360 nan 0.000 0.284 157 D N 3.883 124.304 120.400 0.034 0.000 2.193 157 D HA 0.341 4.982 4.640 0.002 0.000 0.244 157 D C -0.689 175.629 176.300 0.030 0.000 1.064 157 D CA -0.749 53.269 54.000 0.031 0.000 0.845 157 D CB 1.212 42.025 40.800 0.021 0.000 1.148 157 D HN 0.233 nan 8.370 nan 0.000 0.464 158 D N 2.277 122.703 120.400 0.043 0.000 2.264 158 D HA 0.185 4.826 4.640 0.002 0.000 0.250 158 D C 0.412 176.716 176.300 0.007 0.000 1.113 158 D CA -0.293 53.744 54.000 0.062 0.000 0.871 158 D CB 1.595 42.466 40.800 0.119 0.000 1.167 158 D HN 0.522 nan 8.370 nan 0.000 0.447 159 I N 0.040 120.559 120.570 -0.084 0.000 3.004 159 I HA 0.270 4.441 4.170 0.002 0.000 0.328 159 I C -0.452 175.515 176.117 -0.250 0.000 1.296 159 I CA -0.617 60.608 61.300 -0.125 0.000 1.005 159 I CB -0.282 37.650 38.000 -0.113 0.000 1.928 159 I HN 0.088 nan 8.210 nan 0.000 0.545 160 H N 1.333 120.404 119.070 0.001 0.000 2.489 160 H HA 0.359 4.916 4.556 0.002 0.000 0.343 160 H C -0.165 175.162 175.328 -0.001 0.000 1.086 160 H CA -0.573 55.474 56.048 -0.000 0.000 1.198 160 H CB 1.951 31.711 29.762 -0.003 0.000 1.490 160 H HN 0.222 nan 8.280 nan 0.000 0.504 161 D N 2.561 123.033 120.400 0.120 0.000 2.342 161 D HA -0.009 4.632 4.640 0.002 0.000 0.221 161 D C 0.391 176.720 176.300 0.048 0.000 1.101 161 D CA 0.399 54.436 54.000 0.061 0.000 0.837 161 D CB 0.798 41.620 40.800 0.037 0.000 0.938 161 D HN 0.553 nan 8.370 nan 0.000 0.508 162 Q N -0.522 119.310 119.800 0.052 0.000 2.139 162 Q HA 0.213 4.554 4.340 0.002 0.000 0.219 162 Q C 0.593 176.599 176.000 0.010 0.000 0.805 162 Q CA -0.079 55.738 55.803 0.023 0.000 1.024 162 Q CB 0.882 29.629 28.738 0.015 0.000 1.163 162 Q HN -0.043 nan 8.270 nan 0.000 0.485 163 N N -1.435 117.277 118.700 0.020 0.000 3.342 163 N HA 0.197 4.937 4.740 0.002 0.000 0.211 163 N C -0.649 174.870 175.510 0.016 0.000 1.380 163 N CA 0.741 53.795 53.050 0.007 0.000 1.192 163 N CB 0.669 39.151 38.487 -0.009 0.000 1.060 163 N HN -0.015 nan 8.380 nan 0.000 0.743 164 S N 0.556 116.273 115.700 0.028 0.000 3.657 164 S HA -0.162 4.309 4.470 0.002 0.000 0.793 164 S C -1.367 173.240 174.600 0.012 0.000 1.375 164 S CA 0.404 58.619 58.200 0.026 0.000 1.212 164 S CB -0.350 62.865 63.200 0.025 0.000 0.468 164 S HN 0.390 nan 8.310 nan 0.000 0.550 165 K N 0.792 121.199 120.400 0.012 0.000 6.739 165 K HA -0.147 4.174 4.320 0.002 0.000 0.734 165 K C -0.230 176.368 176.600 -0.003 0.000 2.222 165 K CA 0.935 57.224 56.287 0.002 0.000 1.670 165 K CB -0.482 32.015 32.500 -0.006 0.000 1.867 165 K HN 0.673 nan 8.250 nan 0.000 0.308 166 K N 2.825 123.224 120.400 -0.001 0.000 2.336 166 K HA 0.157 4.478 4.320 0.002 0.000 0.262 166 K C -2.060 174.532 176.600 -0.014 0.000 0.992 166 K CA -0.875 55.410 56.287 -0.003 0.000 0.927 166 K CB 0.151 32.657 32.500 0.010 0.000 0.956 166 K HN 0.243 nan 8.250 nan 0.000 0.495 167 P HA 0.231 nan 4.420 nan 0.000 0.279 167 P C -1.144 176.153 177.300 -0.005 0.000 1.276 167 P CA -0.638 62.447 63.100 -0.025 0.000 0.801 167 P CB 0.850 32.520 31.700 -0.050 0.000 1.127 168 V N 0.470 120.387 119.914 0.005 0.000 2.823 168 V HA 0.558 4.679 4.120 0.002 0.000 0.312 168 V C -0.147 175.989 176.094 0.070 0.000 1.072 168 V CA -0.486 61.842 62.300 0.046 0.000 0.937 168 V CB 1.749 33.602 31.823 0.050 0.000 1.013 168 V HN 0.429 nan 8.190 nan 0.000 0.430 169 M N 3.560 123.250 119.600 0.149 0.000 2.073 169 M HA 0.402 4.883 4.480 0.002 0.000 0.261 169 M C -1.281 175.299 176.300 0.466 0.000 0.928 169 M CA -0.392 55.057 55.300 0.249 0.000 1.006 169 M CB 1.942 34.610 32.600 0.113 0.000 1.893 169 M HN 0.481 nan 8.290 nan 0.000 0.440 170 V N 1.932 122.064 119.914 0.364 0.000 2.385 170 V HA 0.258 4.379 4.120 0.002 0.000 0.269 170 V C -0.763 175.442 176.094 0.184 0.000 1.043 170 V CA -0.646 61.815 62.300 0.268 0.000 0.906 170 V CB 0.460 32.361 31.823 0.129 0.000 0.995 170 V HN 0.630 nan 8.190 nan 0.000 0.467 171 Y N 5.732 126.029 120.300 -0.004 0.000 2.425 171 Y HA 0.550 5.101 4.550 0.001 0.000 0.347 171 Y C -0.080 175.737 175.900 -0.139 0.000 0.976 171 Y CA -1.144 56.754 58.100 -0.336 0.000 1.190 171 Y CB 0.909 39.227 38.460 -0.238 0.000 1.136 171 Y HN 0.567 nan 8.280 nan 0.000 0.517 172 I N 7.460 127.622 120.570 -0.680 0.000 2.347 172 I HA 0.066 4.237 4.170 0.002 0.000 0.294 172 I C -0.024 175.622 176.117 -0.784 0.000 1.090 172 I CA -0.240 60.710 61.300 -0.584 0.000 1.314 172 I CB -0.417 37.277 38.000 -0.509 0.000 1.423 172 I HN 0.595 nan 8.210 nan 0.000 0.503 173 H N 4.248 123.130 119.070 -0.314 0.000 2.582 173 H HA 0.741 5.298 4.556 0.001 0.000 0.345 173 H C 0.441 175.790 175.328 0.035 0.000 1.104 173 H CA -0.724 55.284 56.048 -0.068 0.000 1.390 173 H CB 0.641 30.564 29.762 0.269 0.000 1.461 173 H HN 0.573 nan 8.280 nan 0.000 0.551 174 G N 0.040 108.896 108.800 0.093 0.000 2.537 174 G HA2 0.489 4.450 3.960 0.002 0.000 0.297 174 G HA3 0.489 4.450 3.960 0.002 0.000 0.297 174 G C 0.127 174.998 174.900 -0.048 0.000 1.310 174 G CA -0.971 44.111 45.100 -0.030 0.000 1.027 174 G HN 1.476 nan 8.290 nan 0.000 0.505 175 G N -1.880 106.813 108.800 -0.179 0.000 2.614 175 G HA2 0.269 4.230 3.960 0.002 0.000 0.223 175 G HA3 0.269 4.230 3.960 0.002 0.000 0.223 175 G C 0.368 175.138 174.900 -0.218 0.000 1.171 175 G CA 0.548 45.498 45.100 -0.250 0.000 0.938 175 G HN 1.936 nan 8.290 nan 0.000 0.561 176 S N -0.269 115.243 115.700 -0.314 0.000 3.368 176 S HA -0.331 4.140 4.470 0.002 0.000 0.381 176 S C 1.635 176.146 174.600 -0.148 0.000 0.975 176 S CA 2.157 60.158 58.200 -0.331 0.000 1.199 176 S CB -1.272 61.806 63.200 -0.203 0.000 0.902 176 S HN 1.984 nan 8.310 nan 0.000 0.472 177 Y N -3.139 117.129 120.300 -0.053 0.000 4.776 177 Y HA -0.343 4.208 4.550 0.002 0.000 0.268 177 Y C 1.444 177.360 175.900 0.028 0.000 0.987 177 Y CA 1.724 59.801 58.100 -0.037 0.000 1.944 177 Y CB -1.719 36.564 38.460 -0.294 0.000 1.281 177 Y HN 0.577 nan 8.280 nan 0.000 0.480 178 M N 0.173 119.842 119.600 0.115 0.000 2.371 178 M HA 0.244 4.725 4.480 0.002 0.000 0.246 178 M C -0.362 175.961 176.300 0.038 0.000 1.103 178 M CA 0.776 56.125 55.300 0.081 0.000 1.010 178 M CB 0.074 32.709 32.600 0.059 0.000 1.457 178 M HN 0.264 nan 8.290 nan 0.000 0.486 179 E N 0.152 120.359 120.200 0.011 0.000 2.281 179 E HA 0.627 4.978 4.350 0.002 0.000 0.266 179 E C 0.019 176.583 176.600 -0.059 0.000 0.893 179 E CA -0.476 55.910 56.400 -0.024 0.000 0.798 179 E CB 1.802 31.471 29.700 -0.050 0.000 1.245 179 E HN 0.277 nan 8.360 nan 0.000 0.410 180 G N 1.381 110.147 108.800 -0.056 0.000 2.298 180 G HA2 0.249 4.209 3.960 0.002 0.000 0.309 180 G HA3 0.249 4.209 3.960 0.002 0.000 0.309 180 G C -0.872 173.864 174.900 -0.272 0.000 1.279 180 G CA -0.324 44.674 45.100 -0.170 0.000 1.042 180 G HN 0.747 nan 8.290 nan 0.000 0.480 181 T N -1.765 112.386 114.554 -0.671 0.000 3.841 181 T HA 0.571 4.922 4.350 0.002 0.000 0.428 181 T C 1.084 175.447 174.700 -0.563 0.000 1.447 181 T CA 0.858 62.556 62.100 -0.670 0.000 1.135 181 T CB 0.385 69.101 68.868 -0.254 0.000 1.389 181 T HN 2.296 nan 8.240 nan 0.000 0.461 182 G N 3.257 111.825 108.800 -0.386 0.000 2.687 182 G HA2 -0.134 3.827 3.960 0.002 0.000 0.209 182 G HA3 -0.134 3.827 3.960 0.002 0.000 0.209 182 G C 1.151 176.032 174.900 -0.031 0.000 1.146 182 G CA 0.580 45.659 45.100 -0.035 0.000 0.787 182 G HN 0.753 nan 8.290 nan 0.000 0.532 183 N N 1.222 119.792 118.700 -0.217 0.000 2.188 183 N HA -0.136 4.604 4.740 0.002 0.000 0.184 183 N C 2.334 177.593 175.510 -0.418 0.000 1.018 183 N CA 1.421 54.074 53.050 -0.662 0.000 0.858 183 N CB -0.463 37.383 38.487 -1.067 0.000 0.989 183 N HN 0.628 nan 8.380 nan 0.000 0.426 184 M N -1.093 118.366 119.600 -0.234 0.000 2.539 184 M HA 0.029 4.510 4.480 0.002 0.000 0.261 184 M C -0.267 175.978 176.300 -0.091 0.000 1.069 184 M CA 1.158 56.401 55.300 -0.095 0.000 1.081 184 M CB 0.100 32.661 32.600 -0.065 0.000 1.412 184 M HN -0.177 nan 8.290 nan 0.000 0.482 185 I N 2.135 122.605 120.570 -0.165 0.000 2.339 185 I HA 0.295 4.466 4.170 0.002 0.000 0.290 185 I C -0.856 175.071 176.117 -0.316 0.000 0.994 185 I CA -0.496 60.576 61.300 -0.380 0.000 1.191 185 I CB 1.295 38.897 38.000 -0.663 0.000 1.343 185 I HN 0.035 nan 8.210 nan 0.000 0.458 186 D N 4.856 125.025 120.400 -0.384 0.000 2.317 186 D HA 0.363 5.004 4.640 0.002 0.000 0.234 186 D C 0.898 176.803 176.300 -0.658 0.000 1.112 186 D CA -0.176 53.607 54.000 -0.361 0.000 0.840 186 D CB 1.704 42.409 40.800 -0.159 0.000 1.078 186 D HN 0.738 nan 8.370 nan 0.000 0.486 187 G N 2.037 110.113 108.800 -1.206 0.000 3.126 187 G HA2 -0.044 3.917 3.960 0.002 0.000 0.224 187 G HA3 -0.044 3.917 3.960 0.002 0.000 0.224 187 G C 1.299 175.819 174.900 -0.632 0.000 1.142 187 G CA -0.026 44.595 45.100 -0.799 0.000 0.759 187 G HN 0.463 nan 8.290 nan 0.000 0.550 188 S N 1.240 116.525 115.700 -0.692 0.000 2.353 188 S HA -0.202 4.269 4.470 0.002 0.000 0.222 188 S C 2.153 176.725 174.600 -0.047 0.000 1.035 188 S CA 1.145 59.294 58.200 -0.085 0.000 1.025 188 S CB -0.224 63.021 63.200 0.075 0.000 0.902 188 S HN 0.300 nan 8.310 nan 0.000 0.440 189 I N 1.461 121.972 120.570 -0.098 0.000 2.454 189 I HA -0.043 4.128 4.170 0.002 0.000 0.254 189 I C 1.831 177.945 176.117 -0.006 0.000 1.156 189 I CA 0.940 62.203 61.300 -0.063 0.000 1.433 189 I CB -0.371 37.556 38.000 -0.122 0.000 1.082 189 I HN 0.279 nan 8.210 nan 0.000 0.432 190 L N -0.111 121.128 121.223 0.026 0.000 2.071 190 L HA 0.042 4.383 4.340 0.002 0.000 0.201 190 L C 2.499 179.436 176.870 0.110 0.000 1.076 190 L CA 1.567 56.464 54.840 0.095 0.000 0.755 190 L CB -0.995 41.155 42.059 0.152 0.000 0.915 190 L HN 0.279 nan 8.230 nan 0.000 0.445 191 A N -0.520 122.355 122.820 0.092 0.000 1.892 191 A HA -0.273 4.048 4.320 0.002 0.000 0.218 191 A C 2.478 180.121 177.584 0.097 0.000 1.188 191 A CA 2.272 54.372 52.037 0.104 0.000 0.631 191 A CB -1.030 18.057 19.000 0.146 0.000 0.822 191 A HN 0.541 nan 8.150 nan 0.000 0.447 192 S N -2.221 113.541 115.700 0.103 0.000 2.382 192 S HA -0.188 4.283 4.470 0.002 0.000 0.228 192 S C 1.892 176.567 174.600 0.126 0.000 1.027 192 S CA 1.680 59.941 58.200 0.102 0.000 0.991 192 S CB -0.493 62.760 63.200 0.088 0.000 0.823 192 S HN 0.689 nan 8.310 nan 0.000 0.469 193 Y N 1.467 121.767 120.300 -0.000 0.000 2.220 193 Y HA 0.141 4.692 4.550 0.001 0.000 0.291 193 Y C 2.206 178.107 175.900 0.003 0.000 1.129 193 Y CA 1.501 59.596 58.100 -0.008 0.000 1.161 193 Y CB -0.891 37.551 38.460 -0.030 0.000 0.997 193 Y HN 0.243 nan 8.280 nan 0.000 0.522 194 G N -1.159 107.559 108.800 -0.136 0.000 2.887 194 G HA2 -0.067 3.894 3.960 0.002 0.000 0.211 194 G HA3 -0.067 3.894 3.960 0.002 0.000 0.211 194 G C 0.363 175.194 174.900 -0.116 0.000 1.152 194 G CA 0.410 45.369 45.100 -0.235 0.000 0.769 194 G HN 0.450 nan 8.290 nan 0.000 0.541 195 N N -0.548 118.126 118.700 -0.042 0.000 2.780 195 N HA -0.166 4.574 4.740 0.002 0.000 0.248 195 N C -0.064 175.446 175.510 -0.001 0.000 1.102 195 N CA 0.790 53.834 53.050 -0.009 0.000 0.697 195 N CB -1.380 37.093 38.487 -0.023 0.000 1.028 195 N HN 0.406 nan 8.380 nan 0.000 0.554 196 V N -1.087 118.835 119.914 0.013 0.000 2.667 196 V HA 0.659 4.780 4.120 0.002 0.000 0.308 196 V C 0.970 177.107 176.094 0.070 0.000 1.048 196 V CA -0.999 61.314 62.300 0.022 0.000 0.928 196 V CB 2.168 33.992 31.823 0.002 0.000 1.004 196 V HN 0.095 nan 8.190 nan 0.000 0.444 197 I N 3.242 123.857 120.570 0.076 0.000 2.396 197 I HA 0.365 4.536 4.170 0.002 0.000 0.289 197 I C -0.225 175.994 176.117 0.171 0.000 1.056 197 I CA -0.146 61.227 61.300 0.123 0.000 1.365 197 I CB 1.426 39.471 38.000 0.076 0.000 1.407 197 I HN 0.459 nan 8.210 nan 0.000 0.509 198 V N 7.958 128.023 119.914 0.251 0.000 2.547 198 V HA 0.521 4.642 4.120 0.002 0.000 0.299 198 V C -0.079 176.265 176.094 0.417 0.000 1.040 198 V CA -0.586 61.911 62.300 0.329 0.000 0.913 198 V CB 2.032 34.037 31.823 0.305 0.000 0.992 198 V HN 0.472 nan 8.190 nan 0.000 0.449 199 I N 2.899 123.720 120.570 0.418 0.000 2.548 199 I HA 0.411 4.582 4.170 0.002 0.000 0.287 199 I C -0.093 176.252 176.117 0.380 0.000 1.103 199 I CA -0.190 61.336 61.300 0.376 0.000 1.049 199 I CB 2.596 40.755 38.000 0.266 0.000 1.232 199 I HN 0.736 nan 8.210 nan 0.000 0.429 200 T N 4.965 119.754 114.554 0.392 0.000 2.902 200 T HA 0.809 5.159 4.350 0.002 0.000 0.283 200 T C -0.288 174.596 174.700 0.306 0.000 1.009 200 T CA -0.694 61.625 62.100 0.366 0.000 1.051 200 T CB 1.747 70.835 68.868 0.366 0.000 0.999 200 T HN 0.461 nan 8.240 nan 0.000 0.474 201 I N -0.766 120.000 120.570 0.326 0.000 2.509 201 I HA 0.595 4.766 4.170 0.002 0.000 0.293 201 I C -1.001 175.386 176.117 0.451 0.000 1.020 201 I CA -1.281 60.222 61.300 0.339 0.000 1.088 201 I CB 1.773 39.889 38.000 0.194 0.000 1.267 201 I HN 0.279 nan 8.210 nan 0.000 0.430 202 N N 5.588 124.543 118.700 0.425 0.000 2.719 202 N HA 0.210 4.951 4.740 0.002 0.000 0.243 202 N C -0.893 174.846 175.510 0.381 0.000 1.104 202 N CA -0.305 52.946 53.050 0.335 0.000 0.981 202 N CB 0.067 38.672 38.487 0.197 0.000 1.290 202 N HN 0.636 nan 8.380 nan 0.000 0.513 203 Y N -0.578 119.894 120.300 0.287 0.000 2.336 203 Y HA 0.371 4.922 4.550 0.002 0.000 0.331 203 Y C 0.876 176.873 175.900 0.161 0.000 1.211 203 Y CA -1.203 57.026 58.100 0.216 0.000 1.346 203 Y CB 0.618 39.148 38.460 0.116 0.000 1.271 203 Y HN 0.152 nan 8.280 nan 0.000 0.538 204 R N 3.094 123.658 120.500 0.106 0.000 2.538 204 R HA 0.182 4.523 4.340 0.002 0.000 0.282 204 R C -1.087 175.197 176.300 -0.027 0.000 1.009 204 R CA 0.087 56.174 56.100 -0.022 0.000 1.063 204 R CB 0.044 30.319 30.300 -0.041 0.000 0.945 204 R HN 0.831 nan 8.270 nan 0.000 0.414 205 L N 4.225 125.418 121.223 -0.049 0.000 2.307 205 L HA 0.287 4.628 4.340 0.002 0.000 0.284 205 L C 1.412 178.377 176.870 0.158 0.000 1.023 205 L CA 0.020 54.877 54.840 0.028 0.000 0.810 205 L CB 1.704 43.721 42.059 -0.069 0.000 1.231 205 L HN 1.029 nan 8.230 nan 0.000 0.423 206 G N 3.068 112.093 108.800 0.375 0.000 3.099 206 G HA2 -0.405 3.556 3.960 0.002 0.000 0.331 206 G HA3 -0.405 3.556 3.960 0.002 0.000 0.331 206 G C 0.730 175.777 174.900 0.245 0.000 1.216 206 G CA 0.909 46.191 45.100 0.304 0.000 0.977 206 G HN 0.563 nan 8.290 nan 0.000 0.600 207 I N 1.091 121.645 120.570 -0.026 0.000 2.353 207 I HA 0.115 4.286 4.170 0.002 0.000 0.248 207 I C 2.815 179.010 176.117 0.130 0.000 1.119 207 I CA 1.168 62.389 61.300 -0.133 0.000 1.417 207 I CB -0.362 37.496 38.000 -0.237 0.000 1.078 207 I HN 0.371 nan 8.210 nan 0.000 0.421 208 L N 0.068 121.296 121.223 0.008 0.000 2.022 208 L HA -0.028 4.313 4.340 0.002 0.000 0.204 208 L C 2.684 179.505 176.870 -0.082 0.000 1.076 208 L CA 1.582 56.294 54.840 -0.213 0.000 0.749 208 L CB -1.157 40.725 42.059 -0.295 0.000 0.903 208 L HN 0.326 nan 8.230 nan 0.000 0.439 209 G N -0.049 108.766 108.800 0.024 0.000 2.728 209 G HA2 -0.346 3.615 3.960 0.002 0.000 0.224 209 G HA3 -0.346 3.615 3.960 0.002 0.000 0.224 209 G C 0.836 175.649 174.900 -0.146 0.000 1.139 209 G CA 1.620 46.715 45.100 -0.008 0.000 0.761 209 G HN 0.420 nan 8.290 nan 0.000 0.621 210 F N -1.140 119.017 119.950 0.346 0.000 2.739 210 F HA 0.422 4.950 4.527 0.002 0.000 0.366 210 F C -0.089 175.919 175.800 0.346 0.000 1.279 210 F CA -0.933 57.250 58.000 0.304 0.000 1.151 210 F CB 0.703 39.806 39.000 0.171 0.000 1.132 210 F HN 0.012 nan 8.300 nan 0.000 0.511 211 L N 1.329 122.924 121.223 0.620 0.000 2.290 211 L HA 0.656 4.997 4.340 0.002 0.000 0.284 211 L C 0.077 177.201 176.870 0.425 0.000 1.078 211 L CA 0.174 55.320 54.840 0.510 0.000 0.815 211 L CB 1.114 43.579 42.059 0.677 0.000 1.162 211 L HN 0.045 nan 8.230 nan 0.000 0.435 212 S N 1.653 117.473 115.700 0.200 0.000 2.548 212 S HA 0.414 4.885 4.470 0.002 0.000 0.276 212 S C 0.906 175.540 174.600 0.056 0.000 1.129 212 S CA 0.019 58.300 58.200 0.137 0.000 0.931 212 S CB 1.365 64.600 63.200 0.058 0.000 1.068 212 S HN 0.875 nan 8.310 nan 0.000 0.480 213 T N 1.522 116.105 114.554 0.049 0.000 2.821 213 T HA 0.231 4.582 4.350 0.002 0.000 0.267 213 T C 1.536 176.232 174.700 -0.007 0.000 1.046 213 T CA 1.405 63.511 62.100 0.011 0.000 1.139 213 T CB -0.629 68.245 68.868 0.009 0.000 0.871 213 T HN 1.888 nan 8.240 nan 0.000 0.454 214 G N 1.793 110.592 108.800 -0.002 0.000 2.192 214 G HA2 -0.036 3.925 3.960 0.002 0.000 0.193 214 G HA3 -0.036 3.925 3.960 0.002 0.000 0.193 214 G C -0.401 174.494 174.900 -0.008 0.000 0.999 214 G CA 0.132 45.224 45.100 -0.014 0.000 0.659 214 G HN 1.046 nan 8.290 nan 0.000 0.503 215 D N -1.349 119.052 120.400 0.002 0.000 2.663 215 D HA 0.464 5.105 4.640 0.002 0.000 0.233 215 D C 0.787 177.098 176.300 0.019 0.000 1.240 215 D CA 0.266 54.269 54.000 0.005 0.000 0.774 215 D CB 0.397 41.197 40.800 -0.000 0.000 1.443 215 D HN 0.262 nan 8.370 nan 0.000 0.441 216 Q N 0.516 120.329 119.800 0.020 0.000 2.075 216 Q HA -0.351 3.989 4.340 0.002 0.000 0.379 216 Q C 1.669 177.700 176.000 0.052 0.000 0.742 216 Q CA 2.667 58.488 55.803 0.030 0.000 0.973 216 Q CB -2.324 26.427 28.738 0.021 0.000 2.260 216 Q HN 0.903 nan 8.270 nan 0.000 0.824 217 A N 1.079 123.930 122.820 0.051 0.000 2.014 217 A HA 0.389 4.710 4.320 0.002 0.000 0.218 217 A C 1.198 178.853 177.584 0.118 0.000 1.163 217 A CA 1.543 53.620 52.037 0.066 0.000 0.652 217 A CB -0.125 18.893 19.000 0.031 0.000 0.808 217 A HN 0.875 nan 8.150 nan 0.000 0.449 218 A N -0.288 122.605 122.820 0.122 0.000 2.644 218 A HA 0.571 4.892 4.320 0.002 0.000 0.343 218 A C 0.718 178.402 177.584 0.167 0.000 1.324 218 A CA -0.490 51.681 52.037 0.224 0.000 0.846 218 A CB 0.274 19.375 19.000 0.169 0.000 1.128 218 A HN 0.332 nan 8.150 nan 0.000 0.484 219 K N 1.319 121.806 120.400 0.145 0.000 1.984 219 K HA 0.305 4.626 4.320 0.002 0.000 0.209 219 K C 1.152 177.661 176.600 -0.153 0.000 1.046 219 K CA 1.475 57.751 56.287 -0.019 0.000 0.934 219 K CB -0.050 32.422 32.500 -0.046 0.000 0.717 219 K HN 1.271 nan 8.250 nan 0.000 0.438 220 G N -0.154 108.343 108.800 -0.505 0.000 2.434 220 G HA2 -0.138 3.823 3.960 0.002 0.000 0.671 220 G HA3 -0.138 3.823 3.960 0.002 0.000 0.671 220 G C -1.249 173.168 174.900 -0.804 0.000 1.280 220 G CA -0.545 44.189 45.100 -0.610 0.000 0.975 220 G HN 0.223 nan 8.290 nan 0.000 0.510 221 N N -1.405 117.035 118.700 -0.433 0.000 2.740 221 N HA -0.193 4.548 4.740 0.002 0.000 0.248 221 N C 0.717 175.930 175.510 -0.494 0.000 1.062 221 N CA 1.705 54.561 53.050 -0.323 0.000 0.704 221 N CB -1.456 36.948 38.487 -0.138 0.000 0.968 221 N HN 0.658 nan 8.380 nan 0.000 0.547 222 Y N -0.043 120.010 120.300 -0.411 0.000 2.130 222 Y HA 0.029 4.580 4.550 0.002 0.000 0.287 222 Y C 2.607 178.298 175.900 -0.349 0.000 1.124 222 Y CA 1.561 59.471 58.100 -0.316 0.000 1.118 222 Y CB -0.724 37.580 38.460 -0.261 0.000 0.994 222 Y HN 0.277 nan 8.280 nan 0.000 0.497 223 G N 0.461 109.007 108.800 -0.423 0.000 2.503 223 G HA2 -0.278 3.683 3.960 0.002 0.000 0.221 223 G HA3 -0.278 3.683 3.960 0.002 0.000 0.221 223 G C 1.682 176.580 174.900 -0.003 0.000 1.131 223 G CA 1.446 46.458 45.100 -0.146 0.000 0.756 223 G HN 0.334 nan 8.290 nan 0.000 0.572 224 L N -0.441 120.713 121.223 -0.115 0.000 1.989 224 L HA -0.061 4.280 4.340 0.002 0.000 0.211 224 L C 2.896 179.736 176.870 -0.051 0.000 1.071 224 L CA 0.774 55.596 54.840 -0.029 0.000 0.749 224 L CB -0.501 41.569 42.059 0.017 0.000 0.890 224 L HN 0.168 nan 8.230 nan 0.000 0.431 225 L N -0.302 120.870 121.223 -0.086 0.000 2.127 225 L HA -0.253 4.088 4.340 0.002 0.000 0.211 225 L C 1.993 178.852 176.870 -0.018 0.000 1.089 225 L CA 1.299 56.083 54.840 -0.092 0.000 0.757 225 L CB -0.628 41.359 42.059 -0.120 0.000 0.899 225 L HN 0.277 nan 8.230 nan 0.000 0.434 226 D N -0.930 119.494 120.400 0.040 0.000 2.117 226 D HA -0.179 4.462 4.640 0.002 0.000 0.198 226 D C 2.270 178.546 176.300 -0.040 0.000 0.982 226 D CA 0.886 54.976 54.000 0.151 0.000 0.828 226 D CB -0.105 40.860 40.800 0.275 0.000 0.967 226 D HN 0.356 nan 8.370 nan 0.000 0.464 227 Q N 0.143 119.910 119.800 -0.056 0.000 2.061 227 Q HA -0.130 4.211 4.340 0.002 0.000 0.204 227 Q C 2.332 178.250 176.000 -0.138 0.000 0.984 227 Q CA 0.909 56.617 55.803 -0.157 0.000 0.846 227 Q CB -0.107 28.535 28.738 -0.160 0.000 0.902 227 Q HN 0.377 nan 8.270 nan 0.000 0.421 228 I N 0.550 121.086 120.570 -0.057 0.000 2.142 228 I HA -0.311 3.860 4.170 0.002 0.000 0.240 228 I C 2.633 178.751 176.117 0.002 0.000 1.078 228 I CA 1.428 62.728 61.300 0.001 0.000 1.343 228 I CB -0.432 37.571 38.000 0.006 0.000 1.046 228 I HN 0.281 nan 8.210 nan 0.000 0.405 229 Q N 1.576 121.375 119.800 -0.002 0.000 2.096 229 Q HA -0.199 4.142 4.340 0.002 0.000 0.204 229 Q C 2.109 178.137 176.000 0.045 0.000 0.982 229 Q CA 2.478 58.325 55.803 0.073 0.000 0.850 229 Q CB -0.433 28.392 28.738 0.145 0.000 0.901 229 Q HN 0.469 nan 8.270 nan 0.000 0.422 230 A N 0.437 123.063 122.820 -0.324 0.000 1.873 230 A HA -0.202 4.119 4.320 0.002 0.000 0.218 230 A C 2.223 179.762 177.584 -0.076 0.000 1.193 230 A CA 1.675 53.343 52.037 -0.616 0.000 0.629 230 A CB -1.069 17.137 19.000 -1.322 0.000 0.826 230 A HN 0.480 nan 8.150 nan 0.000 0.447 231 L N -1.235 119.961 121.223 -0.045 0.000 1.971 231 L HA -0.252 4.089 4.340 0.002 0.000 0.215 231 L C 2.863 179.827 176.870 0.155 0.000 1.072 231 L CA 2.159 57.050 54.840 0.086 0.000 0.758 231 L CB -0.384 41.740 42.059 0.109 0.000 0.889 231 L HN 0.451 nan 8.230 nan 0.000 0.433 232 R N -1.164 119.420 120.500 0.141 0.000 2.159 232 R HA -0.256 4.085 4.340 0.002 0.000 0.237 232 R C 2.118 178.530 176.300 0.187 0.000 1.131 232 R CA 1.725 57.911 56.100 0.142 0.000 0.982 232 R CB -0.418 29.956 30.300 0.124 0.000 0.868 232 R HN 0.431 nan 8.270 nan 0.000 0.453 233 W N 1.048 122.388 121.300 0.066 0.000 2.315 233 W HA -0.252 4.409 4.660 0.001 0.000 0.323 233 W C 1.711 178.291 176.519 0.102 0.000 1.233 233 W CA 2.065 59.469 57.345 0.099 0.000 1.267 233 W CB -0.386 29.132 29.460 0.098 0.000 1.160 233 W HN 0.014 nan 8.180 nan 0.000 0.474 234 I N 0.205 121.071 120.570 0.492 0.000 2.264 234 I HA -0.330 3.841 4.170 0.002 0.000 0.248 234 I C 2.524 178.699 176.117 0.097 0.000 1.111 234 I CA 1.842 63.351 61.300 0.348 0.000 1.382 234 I CB -0.818 37.351 38.000 0.283 0.000 1.060 234 I HN 0.167 nan 8.210 nan 0.000 0.418 235 E N 1.191 121.442 120.200 0.085 0.000 2.049 235 E HA -0.276 4.074 4.350 0.002 0.000 0.198 235 E C 2.019 178.605 176.600 -0.025 0.000 1.007 235 E CA 1.837 58.256 56.400 0.031 0.000 0.809 235 E CB 0.046 29.772 29.700 0.042 0.000 0.749 235 E HN 0.567 nan 8.360 nan 0.000 0.450 236 E N -0.067 120.096 120.200 -0.061 0.000 2.028 236 E HA -0.101 4.250 4.350 0.002 0.000 0.190 236 E C 2.121 178.622 176.600 -0.166 0.000 0.984 236 E CA 0.891 57.228 56.400 -0.106 0.000 0.800 236 E CB -0.051 29.582 29.700 -0.112 0.000 0.758 236 E HN 0.292 nan 8.360 nan 0.000 0.448 237 N N 0.504 119.011 118.700 -0.322 0.000 2.132 237 N HA -0.099 4.642 4.740 0.002 0.000 0.187 237 N C 2.047 177.447 175.510 -0.183 0.000 1.038 237 N CA 0.644 53.454 53.050 -0.399 0.000 0.846 237 N CB -0.202 37.501 38.487 -1.307 0.000 1.012 237 N HN -0.042 nan 8.380 nan 0.000 0.429 238 V N 2.120 121.911 119.914 -0.205 0.000 2.660 238 V HA -0.170 3.951 4.120 0.002 0.000 0.257 238 V C 2.162 178.083 176.094 -0.289 0.000 1.088 238 V CA 2.058 64.123 62.300 -0.392 0.000 1.106 238 V CB -1.023 30.672 31.823 -0.214 0.000 0.686 238 V HN 0.389 nan 8.190 nan 0.000 0.481 239 G N -1.036 107.681 108.800 -0.139 0.000 2.462 239 G HA2 -0.229 3.732 3.960 0.002 0.000 0.220 239 G HA3 -0.229 3.732 3.960 0.002 0.000 0.220 239 G C 1.626 176.502 174.900 -0.040 0.000 1.121 239 G CA 1.112 46.166 45.100 -0.077 0.000 0.758 239 G HN 0.734 nan 8.290 nan 0.000 0.559 240 A N 1.275 124.094 122.820 -0.002 0.000 1.819 240 A HA 0.226 4.547 4.320 0.002 0.000 0.215 240 A C 1.540 179.207 177.584 0.138 0.000 1.226 240 A CA 1.195 53.296 52.037 0.108 0.000 0.608 240 A CB -0.680 18.461 19.000 0.234 0.000 0.877 240 A HN 0.754 nan 8.150 nan 0.000 0.452 241 F N -1.746 118.207 119.950 0.006 0.000 2.640 241 F HA 0.603 5.131 4.527 0.002 0.000 0.331 241 F C 0.861 176.663 175.800 0.003 0.000 1.200 241 F CA -0.020 57.976 58.000 -0.006 0.000 1.278 241 F CB -0.117 38.838 39.000 -0.075 0.000 1.571 241 F HN 0.526 nan 8.300 nan 0.000 0.576 242 G N 0.393 109.169 108.800 -0.038 0.000 3.246 242 G HA2 0.071 4.032 3.960 0.002 0.000 0.196 242 G HA3 0.071 4.032 3.960 0.002 0.000 0.196 242 G C 0.289 175.158 174.900 -0.052 0.000 2.019 242 G CA -0.326 44.756 45.100 -0.031 0.000 1.385 242 G HN 0.920 nan 8.290 nan 0.000 0.484 243 G N 0.394 109.129 108.800 -0.109 0.000 2.400 243 G HA2 0.511 4.471 3.960 0.002 0.000 0.333 243 G HA3 0.511 4.471 3.960 0.002 0.000 0.333 243 G C -1.281 173.585 174.900 -0.056 0.000 1.143 243 G CA 0.374 45.434 45.100 -0.066 0.000 0.914 243 G HN 0.372 nan 8.290 nan 0.000 0.480 244 D N 1.750 122.131 120.400 -0.032 0.000 2.401 244 D HA 0.144 4.785 4.640 0.002 0.000 0.254 244 D C -0.897 175.392 176.300 -0.018 0.000 1.192 244 D CA -1.899 52.086 54.000 -0.024 0.000 0.885 244 D CB 1.674 42.463 40.800 -0.018 0.000 1.147 244 D HN 0.084 nan 8.370 nan 0.000 0.478 245 P HA -0.061 nan 4.420 nan 0.000 0.233 245 P C 0.245 177.552 177.300 0.012 0.000 1.167 245 P CA 0.671 63.770 63.100 -0.001 0.000 0.770 245 P CB 0.247 31.942 31.700 -0.009 0.000 0.837 246 K N -0.129 120.273 120.400 0.003 0.000 2.404 246 K HA 0.140 4.461 4.320 0.002 0.000 0.194 246 K C 1.012 177.613 176.600 0.003 0.000 1.023 246 K CA 0.095 56.385 56.287 0.005 0.000 1.094 246 K CB 0.312 32.810 32.500 -0.003 0.000 0.841 246 K HN 0.078 nan 8.250 nan 0.000 0.523 247 R N 1.583 122.081 120.500 -0.003 0.000 3.026 247 R HA 0.206 4.547 4.340 0.002 0.000 0.317 247 R C -0.689 175.608 176.300 -0.006 0.000 1.278 247 R CA -0.187 55.900 56.100 -0.021 0.000 1.407 247 R CB 0.817 31.094 30.300 -0.038 0.000 1.368 247 R HN -0.102 nan 8.270 nan 0.000 0.612 248 V N 0.403 120.338 119.914 0.035 0.000 3.083 248 V HA 0.383 4.504 4.120 0.002 0.000 0.306 248 V C 0.642 176.760 176.094 0.041 0.000 1.077 248 V CA -0.195 62.147 62.300 0.070 0.000 1.073 248 V CB 1.802 33.715 31.823 0.149 0.000 1.081 248 V HN 0.328 nan 8.190 nan 0.000 0.474 249 T N 3.137 117.707 114.554 0.028 0.000 3.313 249 T HA 0.298 4.649 4.350 0.002 0.000 0.333 249 T C -0.433 174.261 174.700 -0.010 0.000 0.904 249 T CA -0.151 61.920 62.100 -0.048 0.000 1.079 249 T CB 0.692 69.480 68.868 -0.133 0.000 1.017 249 T HN 0.640 nan 8.240 nan 0.000 0.471 250 I N 5.596 126.008 120.570 -0.263 0.000 2.471 250 I HA 0.370 4.541 4.170 0.002 0.000 0.294 250 I C -0.845 175.183 176.117 -0.149 0.000 1.123 250 I CA -0.289 60.810 61.300 -0.335 0.000 1.336 250 I CB -0.341 37.107 38.000 -0.921 0.000 1.430 250 I HN 0.518 nan 8.210 nan 0.000 0.533 251 F N 6.850 126.711 119.950 -0.147 0.000 2.449 251 F HA 0.905 5.432 4.527 0.002 0.000 0.342 251 F C -0.098 175.668 175.800 -0.057 0.000 1.127 251 F CA -1.025 56.943 58.000 -0.053 0.000 0.975 251 F CB 0.723 39.763 39.000 0.066 0.000 1.146 251 F HN 0.286 nan 8.300 nan 0.000 0.444 252 G N 1.121 109.776 108.800 -0.241 0.000 3.013 252 G HA2 0.620 4.581 3.960 0.002 0.000 0.278 252 G HA3 0.620 4.581 3.960 0.002 0.000 0.278 252 G C -1.710 173.100 174.900 -0.151 0.000 1.353 252 G CA -1.229 43.569 45.100 -0.503 0.000 1.043 252 G HN 0.815 nan 8.290 nan 0.000 0.523 253 S N -1.706 113.909 115.700 -0.141 0.000 2.548 253 S HA 0.649 5.120 4.470 0.002 0.000 0.276 253 S C 0.601 175.251 174.600 0.083 0.000 1.129 253 S CA 1.009 59.274 58.200 0.107 0.000 0.931 253 S CB 0.901 64.283 63.200 0.303 0.000 1.068 253 S HN 2.424 nan 8.310 nan 0.000 0.480 254 G N 3.557 112.463 108.800 0.177 0.000 2.543 254 G HA2 -0.249 3.712 3.960 0.002 0.000 0.286 254 G HA3 -0.249 3.712 3.960 0.002 0.000 0.286 254 G C 1.228 176.186 174.900 0.097 0.000 1.153 254 G CA 0.477 45.752 45.100 0.291 0.000 0.968 254 G HN 1.723 nan 8.290 nan 0.000 0.544 255 A N 0.145 122.919 122.820 -0.076 0.000 2.024 255 A HA 0.262 4.583 4.320 0.002 0.000 0.220 255 A C 2.870 180.266 177.584 -0.313 0.000 1.164 255 A CA 2.754 54.571 52.037 -0.367 0.000 0.643 255 A CB -1.093 17.534 19.000 -0.622 0.000 0.806 255 A HN 2.134 nan 8.150 nan 0.000 0.451 256 G N -0.572 108.105 108.800 -0.204 0.000 2.394 256 G HA2 0.063 4.024 3.960 0.002 0.000 0.214 256 G HA3 0.063 4.024 3.960 0.002 0.000 0.214 256 G C 1.716 176.498 174.900 -0.197 0.000 1.176 256 G CA 1.129 46.076 45.100 -0.256 0.000 0.786 256 G HN 0.799 nan 8.290 nan 0.000 0.533 257 A N 0.965 123.725 122.820 -0.101 0.000 2.076 257 A HA -0.003 4.318 4.320 0.002 0.000 0.220 257 A C 2.627 180.204 177.584 -0.012 0.000 1.160 257 A CA 2.234 54.245 52.037 -0.042 0.000 0.653 257 A CB -0.418 18.614 19.000 0.054 0.000 0.801 257 A HN 0.348 nan 8.150 nan 0.000 0.455 258 S N -0.824 114.885 115.700 0.014 0.000 2.387 258 S HA -0.158 4.312 4.470 0.002 0.000 0.226 258 S C 1.885 176.537 174.600 0.086 0.000 1.026 258 S CA 1.248 59.498 58.200 0.084 0.000 0.972 258 S CB -0.700 62.593 63.200 0.154 0.000 0.814 258 S HN 0.742 nan 8.310 nan 0.000 0.477 259 C N 1.424 120.750 119.300 0.043 0.000 2.476 259 C HA 0.039 4.499 4.460 0.002 0.000 0.278 259 C C 2.705 177.665 174.990 -0.050 0.000 1.274 259 C CA 0.177 59.205 59.018 0.017 0.000 1.713 259 C CB -1.354 26.340 27.740 -0.076 0.000 2.039 259 C HN 0.416 nan 8.230 nan 0.000 0.484 260 V N 0.995 120.831 119.914 -0.131 0.000 2.278 260 V HA -0.276 3.845 4.120 0.002 0.000 0.251 260 V C 2.678 178.696 176.094 -0.126 0.000 1.062 260 V CA 2.625 64.810 62.300 -0.192 0.000 1.038 260 V CB -1.081 30.609 31.823 -0.221 0.000 0.646 260 V HN 0.678 nan 8.190 nan 0.000 0.447 261 S N -0.860 114.809 115.700 -0.052 0.000 2.368 261 S HA -0.115 4.356 4.470 0.002 0.000 0.224 261 S C 1.944 176.579 174.600 0.060 0.000 1.029 261 S CA 1.529 59.731 58.200 0.004 0.000 0.988 261 S CB -0.289 62.928 63.200 0.028 0.000 0.838 261 S HN 0.474 nan 8.310 nan 0.000 0.462 262 L N 1.033 122.296 121.223 0.066 0.000 1.976 262 L HA -0.102 4.239 4.340 0.002 0.000 0.209 262 L C 1.917 178.862 176.870 0.124 0.000 1.071 262 L CA 1.243 56.140 54.840 0.094 0.000 0.746 262 L CB -0.580 41.533 42.059 0.090 0.000 0.890 262 L HN 0.433 nan 8.230 nan 0.000 0.432 263 L N -2.229 119.063 121.223 0.114 0.000 2.675 263 L HA 0.056 4.397 4.340 0.002 0.000 0.239 263 L C 1.981 179.018 176.870 0.278 0.000 1.151 263 L CA 0.983 55.928 54.840 0.176 0.000 0.905 263 L CB -2.272 39.877 42.059 0.149 0.000 1.057 263 L HN 0.173 nan 8.230 nan 0.000 0.435 264 T N -3.117 111.598 114.554 0.268 0.000 2.904 264 T HA 0.024 4.375 4.350 0.002 0.000 0.267 264 T C 1.631 176.601 174.700 0.450 0.000 1.059 264 T CA 0.895 63.260 62.100 0.442 0.000 1.137 264 T CB -0.504 68.609 68.868 0.408 0.000 0.879 264 T HN 0.441 nan 8.240 nan 0.000 0.467 265 L N 2.090 123.492 121.223 0.299 0.000 2.554 265 L HA 0.232 4.573 4.340 0.002 0.000 0.226 265 L C 1.581 178.578 176.870 0.212 0.000 1.137 265 L CA -0.157 54.838 54.840 0.258 0.000 0.863 265 L CB -0.435 41.744 42.059 0.200 0.000 0.985 265 L HN 0.338 nan 8.230 nan 0.000 0.451 266 S N -1.267 114.569 115.700 0.226 0.000 2.617 266 S HA 0.005 4.476 4.470 0.002 0.000 0.269 266 S C 1.295 176.005 174.600 0.184 0.000 1.292 266 S CA -0.510 57.825 58.200 0.225 0.000 1.010 266 S CB 0.857 64.228 63.200 0.285 0.000 0.944 266 S HN 0.370 nan 8.310 nan 0.000 0.536 267 H N 2.121 121.186 119.070 -0.009 0.000 2.524 267 H HA -0.022 4.535 4.556 0.001 0.000 0.282 267 H C 0.160 175.331 175.328 -0.263 0.000 1.016 267 H CA 1.301 57.232 56.048 -0.194 0.000 1.270 267 H CB -0.172 29.390 29.762 -0.332 0.000 1.394 267 H HN 0.851 nan 8.280 nan 0.000 0.568 268 Y N -0.203 120.107 120.300 0.015 0.000 2.457 268 Y HA 0.168 4.719 4.550 0.001 0.000 0.263 268 Y C 2.646 178.528 175.900 -0.030 0.000 1.164 268 Y CA 0.313 58.388 58.100 -0.043 0.000 1.274 268 Y CB 0.388 38.892 38.460 0.072 0.000 1.097 268 Y HN 0.129 nan 8.280 nan 0.000 0.523 269 S N -0.182 115.586 115.700 0.114 0.000 2.501 269 S HA -0.004 4.467 4.470 0.002 0.000 0.220 269 S C 0.496 175.047 174.600 -0.082 0.000 0.997 269 S CA -0.013 58.227 58.200 0.066 0.000 0.919 269 S CB -0.147 63.142 63.200 0.147 0.000 0.778 269 S HN 0.386 nan 8.310 nan 0.000 0.523 270 E N 0.443 120.605 120.200 -0.063 0.000 2.480 270 E HA 0.279 4.630 4.350 0.002 0.000 0.258 270 E C 1.080 177.622 176.600 -0.097 0.000 0.984 270 E CA 0.504 56.848 56.400 -0.094 0.000 0.930 270 E CB 0.203 29.841 29.700 -0.103 0.000 0.936 270 E HN 0.429 nan 8.360 nan 0.000 0.466 271 G N 2.905 111.638 108.800 -0.110 0.000 2.199 271 G HA2 -0.315 3.646 3.960 0.002 0.000 0.254 271 G HA3 -0.315 3.646 3.960 0.002 0.000 0.254 271 G C 0.759 175.629 174.900 -0.050 0.000 0.982 271 G CA 0.289 45.348 45.100 -0.067 0.000 0.632 271 G HN 0.515 nan 8.290 nan 0.000 0.529 272 L N -0.878 120.291 121.223 -0.090 0.000 2.375 272 L HA 0.425 4.766 4.340 0.002 0.000 0.215 272 L C 1.227 178.169 176.870 0.120 0.000 1.108 272 L CA 1.067 55.918 54.840 0.019 0.000 0.830 272 L CB -0.241 41.859 42.059 0.067 0.000 0.959 272 L HN 0.520 nan 8.230 nan 0.000 0.457 273 F N -3.832 116.146 119.950 0.048 0.000 2.711 273 F HA 0.523 5.051 4.527 0.001 0.000 0.313 273 F C 0.173 176.026 175.800 0.088 0.000 1.141 273 F CA -0.947 57.063 58.000 0.017 0.000 0.941 273 F CB 1.218 40.181 39.000 -0.062 0.000 1.349 273 F HN -0.398 nan 8.300 nan 0.000 0.464 274 Q N 0.515 120.521 119.800 0.344 0.000 2.471 274 Q HA 0.389 4.730 4.340 0.002 0.000 0.241 274 Q C -0.563 175.634 176.000 0.330 0.000 0.886 274 Q CA 0.738 56.706 55.803 0.274 0.000 0.953 274 Q CB 0.635 29.435 28.738 0.104 0.000 1.108 274 Q HN 0.639 nan 8.270 nan 0.000 0.575 275 K N -0.678 119.824 120.400 0.170 0.000 2.349 275 K HA 0.884 5.205 4.320 0.002 0.000 0.243 275 K C -1.350 175.195 176.600 -0.092 0.000 1.058 275 K CA -0.992 55.266 56.287 -0.050 0.000 0.871 275 K CB 2.179 34.411 32.500 -0.447 0.000 1.337 275 K HN -0.014 nan 8.250 nan 0.000 0.469 276 A N 1.041 123.809 122.820 -0.086 0.000 2.547 276 A HA 0.477 4.798 4.320 0.002 0.000 0.298 276 A C -1.498 176.126 177.584 0.066 0.000 1.062 276 A CA -0.716 51.256 52.037 -0.108 0.000 0.748 276 A CB 0.629 19.480 19.000 -0.249 0.000 1.288 276 A HN 0.593 nan 8.150 nan 0.000 0.396 277 I N 2.392 122.998 120.570 0.060 0.000 2.354 277 I HA 0.427 4.598 4.170 0.002 0.000 0.292 277 I C -0.550 175.616 176.117 0.081 0.000 0.989 277 I CA -0.404 60.913 61.300 0.030 0.000 1.188 277 I CB 1.662 39.612 38.000 -0.083 0.000 1.342 277 I HN 0.523 nan 8.210 nan 0.000 0.457 278 I N 6.248 126.849 120.570 0.052 0.000 2.620 278 I HA 0.200 4.371 4.170 0.002 0.000 0.280 278 I C -0.224 175.966 176.117 0.122 0.000 1.143 278 I CA -0.332 60.999 61.300 0.052 0.000 1.163 278 I CB 0.400 38.393 38.000 -0.012 0.000 1.461 278 I HN 0.570 nan 8.210 nan 0.000 0.530 279 Q N 2.966 122.900 119.800 0.223 0.000 2.304 279 Q HA 0.268 4.609 4.340 0.002 0.000 0.260 279 Q C 0.446 176.578 176.000 0.220 0.000 0.965 279 Q CA -0.223 55.769 55.803 0.315 0.000 0.898 279 Q CB 0.909 29.880 28.738 0.388 0.000 1.196 279 Q HN 0.534 nan 8.270 nan 0.000 0.402 280 S N 1.197 117.012 115.700 0.192 0.000 3.572 280 S HA -0.104 4.367 4.470 0.002 0.000 0.394 280 S C 0.027 174.821 174.600 0.324 0.000 0.923 280 S CA 0.414 58.726 58.200 0.186 0.000 1.291 280 S CB -1.379 61.901 63.200 0.134 0.000 0.914 280 S HN 1.113 nan 8.310 nan 0.000 0.545 281 G N -0.438 108.559 108.800 0.328 0.000 2.353 281 G HA2 0.458 4.419 3.960 0.002 0.000 0.308 281 G HA3 0.458 4.419 3.960 0.002 0.000 0.308 281 G C -0.865 174.156 174.900 0.202 0.000 1.418 281 G CA -0.108 45.216 45.100 0.374 0.000 0.966 281 G HN 0.715 nan 8.290 nan 0.000 0.638 282 T N -0.968 113.683 114.554 0.161 0.000 2.742 282 T HA 0.744 5.095 4.350 0.002 0.000 0.282 282 T C 1.000 175.752 174.700 0.087 0.000 1.025 282 T CA 0.249 62.404 62.100 0.092 0.000 1.020 282 T CB 1.662 70.555 68.868 0.041 0.000 1.317 282 T HN 1.766 nan 8.240 nan 0.000 0.538 283 A N -0.355 122.506 122.820 0.070 0.000 2.348 283 A HA 0.473 4.794 4.320 0.002 0.000 0.224 283 A C 1.462 179.075 177.584 0.048 0.000 1.227 283 A CA -0.040 52.042 52.037 0.076 0.000 0.885 283 A CB -0.609 18.439 19.000 0.080 0.000 0.933 283 A HN 0.678 nan 8.150 nan 0.000 0.506 284 L N 0.021 121.248 121.223 0.006 0.000 2.470 284 L HA 0.090 4.431 4.340 0.002 0.000 0.219 284 L C 0.977 177.752 176.870 -0.159 0.000 1.071 284 L CA 0.222 55.035 54.840 -0.044 0.000 0.850 284 L CB -0.226 41.806 42.059 -0.046 0.000 1.040 284 L HN 0.362 nan 8.230 nan 0.000 0.475 285 S N 0.503 116.069 115.700 -0.223 0.000 2.561 285 S HA -0.073 4.398 4.470 0.002 0.000 0.294 285 S C 1.256 175.508 174.600 -0.581 0.000 1.294 285 S CA 0.047 57.940 58.200 -0.511 0.000 1.055 285 S CB 0.589 63.480 63.200 -0.515 0.000 0.819 285 S HN 0.363 nan 8.310 nan 0.000 0.503 286 S N 0.075 115.235 115.700 -0.899 0.000 2.711 286 S HA -0.040 4.431 4.470 0.002 0.000 0.237 286 S C 0.019 174.260 174.600 -0.599 0.000 0.971 286 S CA 0.115 57.853 58.200 -0.771 0.000 0.964 286 S CB -1.104 61.534 63.200 -0.936 0.000 0.775 286 S HN 1.010 nan 8.310 nan 0.000 0.540 287 W N -1.409 119.762 121.300 -0.215 0.000 1.023 287 W HA 0.870 5.531 4.660 0.001 0.000 0.305 287 W C 0.142 176.711 176.519 0.083 0.000 0.850 287 W CA -1.311 55.993 57.345 -0.069 0.000 1.790 287 W CB -0.443 28.959 29.460 -0.096 0.000 1.654 287 W HN 0.075 nan 8.180 nan 0.000 0.495 288 A N -0.386 122.612 122.820 0.298 0.000 1.917 288 A HA 0.477 4.798 4.320 0.002 0.000 0.200 288 A C 0.144 177.791 177.584 0.105 0.000 1.671 288 A CA 0.523 52.736 52.037 0.293 0.000 1.034 288 A CB 0.016 19.142 19.000 0.211 0.000 1.057 288 A HN 0.005 nan 8.150 nan 0.000 0.507 289 V N 2.521 122.496 119.914 0.101 0.000 2.530 289 V HA 0.256 4.376 4.120 0.002 0.000 0.282 289 V C -0.290 175.885 176.094 0.135 0.000 1.048 289 V CA -0.411 61.912 62.300 0.038 0.000 0.997 289 V CB 0.909 32.733 31.823 0.002 0.000 0.987 289 V HN 0.500 nan 8.190 nan 0.000 0.477 290 N N 3.083 121.808 118.700 0.042 0.000 2.589 290 N HA 0.277 5.018 4.740 0.002 0.000 0.232 290 N C 0.254 175.821 175.510 0.095 0.000 1.015 290 N CA -0.267 52.859 53.050 0.127 0.000 0.931 290 N CB 0.354 38.881 38.487 0.067 0.000 1.150 290 N HN 0.571 nan 8.380 nan 0.000 0.512 291 Y N 1.412 121.726 120.300 0.023 0.000 2.373 291 Y HA 0.001 4.552 4.550 0.001 0.000 0.293 291 Y C 0.528 176.400 175.900 -0.046 0.000 1.129 291 Y CA 0.708 58.798 58.100 -0.018 0.000 1.226 291 Y CB 0.452 38.889 38.460 -0.038 0.000 1.000 291 Y HN 0.438 nan 8.280 nan 0.000 0.549 292 Q N 0.614 120.474 119.800 0.100 0.000 2.798 292 Q HA 0.158 4.499 4.340 0.002 0.000 0.250 292 Q C -2.116 173.847 176.000 -0.061 0.000 1.006 292 Q CA -1.693 54.084 55.803 -0.043 0.000 0.759 292 Q CB 1.284 29.918 28.738 -0.174 0.000 1.201 292 Q HN 0.103 nan 8.270 nan 0.000 0.486 293 P HA -0.094 nan 4.420 nan 0.000 0.227 293 P C 1.021 178.251 177.300 -0.117 0.000 1.161 293 P CA 0.683 63.736 63.100 -0.079 0.000 0.788 293 P CB 0.434 32.093 31.700 -0.069 0.000 0.822 294 A N 1.476 124.231 122.820 -0.108 0.000 1.903 294 A HA -0.263 4.058 4.320 0.002 0.000 0.219 294 A C 2.427 179.920 177.584 -0.152 0.000 1.191 294 A CA 2.456 54.428 52.037 -0.107 0.000 0.638 294 A CB -1.442 17.502 19.000 -0.094 0.000 0.823 294 A HN 0.170 nan 8.150 nan 0.000 0.451 295 K N -1.649 118.589 120.400 -0.270 0.000 1.985 295 K HA -0.152 4.169 4.320 0.002 0.000 0.210 295 K C 1.103 177.522 176.600 -0.302 0.000 1.047 295 K CA 1.739 57.793 56.287 -0.388 0.000 0.932 295 K CB -0.276 31.787 32.500 -0.728 0.000 0.716 295 K HN 0.558 nan 8.250 nan 0.000 0.439 296 Y N 0.276 120.527 120.300 -0.081 0.000 2.495 296 Y HA 0.133 4.684 4.550 0.001 0.000 0.293 296 Y C 1.535 177.329 175.900 -0.177 0.000 1.186 296 Y CA 0.092 58.137 58.100 -0.093 0.000 1.266 296 Y CB 0.138 38.535 38.460 -0.104 0.000 1.101 296 Y HN 0.062 nan 8.280 nan 0.000 0.517 297 T N -1.253 113.272 114.554 -0.048 0.000 3.042 297 T HA -0.011 4.340 4.350 0.002 0.000 0.245 297 T C 2.026 176.745 174.700 0.032 0.000 1.029 297 T CA 0.410 62.497 62.100 -0.022 0.000 1.120 297 T CB 0.163 69.006 68.868 -0.041 0.000 0.917 297 T HN 0.071 nan 8.240 nan 0.000 0.467 298 R N 2.079 122.581 120.500 0.003 0.000 2.081 298 R HA 0.153 4.494 4.340 0.002 0.000 0.235 298 R C 2.054 178.382 176.300 0.046 0.000 1.131 298 R CA 1.406 57.513 56.100 0.010 0.000 0.960 298 R CB -1.188 29.099 30.300 -0.020 0.000 0.856 298 R HN 0.388 nan 8.270 nan 0.000 0.436 299 I N 0.354 120.967 120.570 0.073 0.000 2.423 299 I HA -0.267 3.904 4.170 0.002 0.000 0.254 299 I C 2.184 178.379 176.117 0.130 0.000 1.151 299 I CA 1.208 62.575 61.300 0.113 0.000 1.421 299 I CB -0.195 37.912 38.000 0.179 0.000 1.079 299 I HN 0.239 nan 8.210 nan 0.000 0.431 300 L N 0.034 121.355 121.223 0.162 0.000 2.249 300 L HA 0.052 4.393 4.340 0.002 0.000 0.207 300 L C 2.662 179.597 176.870 0.109 0.000 1.090 300 L CA 0.871 55.813 54.840 0.170 0.000 0.802 300 L CB -0.158 42.076 42.059 0.292 0.000 0.947 300 L HN 0.129 nan 8.230 nan 0.000 0.453 301 A N 0.734 123.604 122.820 0.083 0.000 1.883 301 A HA -0.274 4.047 4.320 0.002 0.000 0.217 301 A C 1.873 179.476 177.584 0.032 0.000 1.186 301 A CA 2.003 54.067 52.037 0.045 0.000 0.624 301 A CB -0.756 18.259 19.000 0.025 0.000 0.822 301 A HN 0.699 nan 8.150 nan 0.000 0.444 302 D N -0.373 120.047 120.400 0.034 0.000 2.277 302 D HA -0.078 4.562 4.640 0.002 0.000 0.208 302 D C 0.934 177.251 176.300 0.028 0.000 0.962 302 D CA 0.939 54.954 54.000 0.025 0.000 0.865 302 D CB -0.396 40.417 40.800 0.022 0.000 0.939 302 D HN 0.384 nan 8.370 nan 0.000 0.510 303 K N 0.003 120.427 120.400 0.040 0.000 3.173 303 K HA 0.315 4.635 4.320 0.002 0.000 0.255 303 K C -0.094 176.524 176.600 0.030 0.000 1.235 303 K CA -0.177 56.131 56.287 0.036 0.000 1.250 303 K CB 0.770 33.297 32.500 0.046 0.000 1.382 303 K HN -0.036 nan 8.250 nan 0.000 0.421 304 V N -2.066 117.861 119.914 0.022 0.000 3.142 304 V HA 0.090 4.211 4.120 0.002 0.000 0.250 304 V C 0.763 176.861 176.094 0.007 0.000 1.774 304 V CA 0.588 62.897 62.300 0.015 0.000 1.003 304 V CB 1.276 33.112 31.823 0.021 0.000 0.935 304 V HN 0.545 nan 8.190 nan 0.000 0.371 305 G N -0.278 108.527 108.800 0.008 0.000 3.134 305 G HA2 -0.169 3.791 3.960 0.002 0.000 0.195 305 G HA3 -0.169 3.791 3.960 0.002 0.000 0.195 305 G C 0.265 175.166 174.900 0.002 0.000 1.054 305 G CA 0.147 45.249 45.100 0.003 0.000 0.828 305 G HN 0.434 nan 8.290 nan 0.000 0.462 306 c N 2.721 121.322 118.600 0.001 0.000 2.551 306 c HA 0.408 4.979 4.570 0.002 0.000 0.378 306 c C 1.445 175.534 174.090 -0.003 0.000 1.101 306 c CA 0.247 56.573 56.329 -0.005 0.000 1.360 306 c CB -1.939 40.563 42.510 -0.013 0.000 1.895 306 c HN 0.521 nan 8.230 nan 0.000 0.540 307 N N 1.486 120.184 118.700 -0.003 0.000 2.280 307 N HA 0.039 4.780 4.740 0.002 0.000 0.192 307 N C 0.730 176.237 175.510 -0.005 0.000 1.109 307 N CA -0.108 52.941 53.050 -0.002 0.000 0.855 307 N CB 0.113 38.600 38.487 -0.000 0.000 0.974 307 N HN 0.666 nan 8.380 nan 0.000 0.482 308 M N 0.535 120.130 119.600 -0.008 0.000 2.284 308 M HA 0.019 4.500 4.480 0.002 0.000 0.351 308 M C 1.079 177.372 176.300 -0.011 0.000 1.443 308 M CA 0.266 55.561 55.300 -0.009 0.000 1.031 308 M CB 0.284 32.877 32.600 -0.011 0.000 1.893 308 M HN 0.027 nan 8.290 nan 0.000 0.456 309 L N 2.265 123.482 121.223 -0.009 0.000 2.042 309 L HA -0.074 4.267 4.340 0.002 0.000 0.210 309 L C 0.445 177.308 176.870 -0.011 0.000 1.076 309 L CA 1.982 56.815 54.840 -0.010 0.000 0.749 309 L CB -0.412 41.642 42.059 -0.009 0.000 0.893 309 L HN 0.912 nan 8.230 nan 0.000 0.432 310 D N -1.863 118.531 120.400 -0.011 0.000 2.350 310 D HA 0.109 4.750 4.640 0.002 0.000 0.249 310 D C 1.306 177.598 176.300 -0.013 0.000 1.119 310 D CA 0.721 54.714 54.000 -0.010 0.000 0.886 310 D CB 1.293 42.089 40.800 -0.008 0.000 1.195 310 D HN 0.315 nan 8.370 nan 0.000 0.437 311 T N -0.764 113.783 114.554 -0.013 0.000 2.894 311 T HA -0.103 4.248 4.350 0.002 0.000 0.258 311 T C 1.800 176.488 174.700 -0.020 0.000 1.043 311 T CA 0.706 62.796 62.100 -0.017 0.000 1.141 311 T CB -0.458 68.403 68.868 -0.011 0.000 0.873 311 T HN 0.369 nan 8.240 nan 0.000 0.449 312 T N 2.424 116.971 114.554 -0.012 0.000 2.897 312 T HA -0.081 4.270 4.350 0.002 0.000 0.271 312 T C 1.239 175.927 174.700 -0.020 0.000 1.084 312 T CA 1.662 63.755 62.100 -0.011 0.000 1.123 312 T CB -0.538 68.330 68.868 -0.000 0.000 0.865 312 T HN 0.565 nan 8.240 nan 0.000 0.496 313 D N 0.516 120.905 120.400 -0.019 0.000 2.162 313 D HA 0.097 4.738 4.640 0.002 0.000 0.205 313 D C 1.927 178.206 176.300 -0.034 0.000 0.964 313 D CA 0.350 54.337 54.000 -0.022 0.000 0.847 313 D CB -0.161 40.630 40.800 -0.015 0.000 0.988 313 D HN 0.128 nan 8.370 nan 0.000 0.480 314 M N 0.868 120.446 119.600 -0.036 0.000 2.394 314 M HA -0.062 4.419 4.480 0.002 0.000 0.264 314 M C 1.416 177.669 176.300 -0.079 0.000 1.073 314 M CA 0.759 56.032 55.300 -0.044 0.000 1.111 314 M CB 0.131 32.712 32.600 -0.032 0.000 1.401 314 M HN -0.039 nan 8.290 nan 0.000 0.448 315 V N 0.183 120.039 119.914 -0.097 0.000 2.255 315 V HA -0.212 3.909 4.120 0.002 0.000 0.243 315 V C 2.123 178.099 176.094 -0.197 0.000 1.038 315 V CA 1.888 64.079 62.300 -0.181 0.000 1.008 315 V CB -0.717 31.020 31.823 -0.143 0.000 0.645 315 V HN 0.347 nan 8.190 nan 0.000 0.449 316 E N -0.591 119.542 120.200 -0.111 0.000 2.265 316 E HA -0.221 4.130 4.350 0.002 0.000 0.196 316 E C 2.091 178.651 176.600 -0.068 0.000 0.996 316 E CA 1.358 57.710 56.400 -0.079 0.000 0.832 316 E CB -0.667 29.010 29.700 -0.038 0.000 0.756 316 E HN 0.636 nan 8.360 nan 0.000 0.491 317 c N -0.687 117.872 118.600 -0.067 0.000 2.457 317 c HA 0.062 4.633 4.570 0.002 0.000 0.278 317 c C 2.215 176.271 174.090 -0.057 0.000 1.309 317 c CA 0.331 56.631 56.329 -0.048 0.000 1.735 317 c CB -0.964 41.525 42.510 -0.036 0.000 1.992 317 c HN 0.443 nan 8.230 nan 0.000 0.493 318 L N 0.105 121.263 121.223 -0.108 0.000 2.478 318 L HA 0.120 4.461 4.340 0.002 0.000 0.223 318 L C 2.630 179.422 176.870 -0.130 0.000 1.140 318 L CA 0.667 55.435 54.840 -0.121 0.000 0.842 318 L CB -0.596 41.355 42.059 -0.181 0.000 0.953 318 L HN 0.231 nan 8.230 nan 0.000 0.452 319 R N -0.180 120.231 120.500 -0.149 0.000 2.320 319 R HA 0.005 4.346 4.340 0.002 0.000 0.211 319 R C 1.382 177.700 176.300 0.030 0.000 0.931 319 R CA 0.039 56.127 56.100 -0.018 0.000 1.071 319 R CB 0.100 30.379 30.300 -0.035 0.000 1.025 319 R HN 0.352 nan 8.270 nan 0.000 0.495 320 N N 0.325 119.030 118.700 0.008 0.000 2.197 320 N HA -0.064 4.677 4.740 0.002 0.000 0.184 320 N C 0.635 176.161 175.510 0.027 0.000 1.030 320 N CA 0.995 54.055 53.050 0.016 0.000 0.851 320 N CB 0.147 38.635 38.487 0.002 0.000 1.003 320 N HN 0.045 nan 8.380 nan 0.000 0.430 321 K N 1.160 121.574 120.400 0.023 0.000 3.063 321 K HA 0.102 4.423 4.320 0.002 0.000 0.353 321 K C 0.305 176.911 176.600 0.010 0.000 1.008 321 K CA 0.138 56.428 56.287 0.005 0.000 1.228 321 K CB -0.162 32.337 32.500 -0.001 0.000 1.165 321 K HN 0.314 nan 8.250 nan 0.000 0.495 322 N N -1.265 117.412 118.700 -0.039 0.000 3.116 322 N HA -0.052 4.689 4.740 0.002 0.000 0.244 322 N C 0.774 176.215 175.510 -0.115 0.000 1.485 322 N CA -0.590 52.420 53.050 -0.067 0.000 0.884 322 N CB -0.219 38.130 38.487 -0.230 0.000 1.415 322 N HN 0.539 nan 8.380 nan 0.000 0.524 323 Y N -1.410 118.906 120.300 0.028 0.000 2.387 323 Y HA -0.182 4.369 4.550 0.001 0.000 0.280 323 Y C 1.789 177.705 175.900 0.027 0.000 1.196 323 Y CA 1.658 59.765 58.100 0.012 0.000 1.322 323 Y CB -0.484 37.971 38.460 -0.008 0.000 0.970 323 Y HN 0.531 nan 8.280 nan 0.000 0.564 324 K N 0.688 120.732 120.400 -0.592 0.000 2.102 324 K HA -0.077 4.244 4.320 0.002 0.000 0.208 324 K C 1.969 178.483 176.600 -0.142 0.000 1.027 324 K CA 1.087 57.160 56.287 -0.357 0.000 0.958 324 K CB -0.170 32.013 32.500 -0.528 0.000 0.819 324 K HN 0.366 nan 8.250 nan 0.000 0.453 325 E N 0.991 121.103 120.200 -0.147 0.000 2.072 325 E HA -0.116 4.235 4.350 0.002 0.000 0.191 325 E C 2.169 178.752 176.600 -0.028 0.000 0.985 325 E CA 0.918 57.277 56.400 -0.069 0.000 0.801 325 E CB -0.009 29.655 29.700 -0.059 0.000 0.750 325 E HN 0.274 nan 8.360 nan 0.000 0.452 326 L N 0.891 122.107 121.223 -0.011 0.000 2.217 326 L HA -0.096 4.245 4.340 0.002 0.000 0.211 326 L C 2.570 179.443 176.870 0.006 0.000 1.107 326 L CA 0.576 55.431 54.840 0.027 0.000 0.783 326 L CB -0.371 41.735 42.059 0.078 0.000 0.919 326 L HN 0.210 nan 8.230 nan 0.000 0.442 327 I N -3.027 117.547 120.570 0.006 0.000 2.494 327 I HA -0.087 4.084 4.170 0.002 0.000 0.250 327 I C 1.198 177.319 176.117 0.006 0.000 1.112 327 I CA 0.438 61.744 61.300 0.010 0.000 1.438 327 I CB -0.295 37.748 38.000 0.070 0.000 1.111 327 I HN 0.076 nan 8.210 nan 0.000 0.431 328 Q N 3.465 123.264 119.800 -0.000 0.000 2.912 328 Q HA 0.093 4.434 4.340 0.002 0.000 0.231 328 Q C -0.908 175.055 176.000 -0.061 0.000 1.304 328 Q CA 0.460 56.218 55.803 -0.076 0.000 0.894 328 Q CB -0.120 28.574 28.738 -0.073 0.000 1.757 328 Q HN 0.546 nan 8.270 nan 0.000 0.521 329 Q N 0.251 120.019 119.800 -0.053 0.000 2.391 329 Q HA 0.325 4.666 4.340 0.002 0.000 0.279 329 Q C -0.982 175.006 176.000 -0.020 0.000 1.028 329 Q CA -0.372 55.417 55.803 -0.024 0.000 0.836 329 Q CB 2.258 30.998 28.738 0.003 0.000 1.414 329 Q HN 0.130 nan 8.270 nan 0.000 0.397 330 T N 2.250 116.803 114.554 -0.001 0.000 2.756 330 T HA 0.640 4.991 4.350 0.002 0.000 0.290 330 T C -0.036 174.691 174.700 0.045 0.000 0.985 330 T CA -0.320 61.786 62.100 0.011 0.000 0.955 330 T CB 0.030 68.900 68.868 0.004 0.000 0.930 330 T HN 0.264 nan 8.240 nan 0.000 0.451 331 I N 2.628 123.236 120.570 0.064 0.000 2.495 331 I HA 0.230 4.401 4.170 0.002 0.000 0.277 331 I C 0.622 176.767 176.117 0.046 0.000 1.045 331 I CA -0.460 60.903 61.300 0.105 0.000 1.135 331 I CB 1.296 39.437 38.000 0.234 0.000 1.241 331 I HN 0.426 nan 8.210 nan 0.000 0.469 332 T N 7.487 122.052 114.554 0.018 0.000 2.853 332 T HA 0.216 4.567 4.350 0.002 0.000 0.298 332 T C -2.190 172.423 174.700 -0.146 0.000 0.978 332 T CA -0.438 61.647 62.100 -0.026 0.000 1.152 332 T CB 0.165 69.033 68.868 0.000 0.000 0.914 332 T HN 0.245 nan 8.240 nan 0.000 0.539 333 P HA 0.340 nan 4.420 nan 0.000 0.278 333 P C -0.840 176.379 177.300 -0.137 0.000 1.238 333 P CA -0.674 62.234 63.100 -0.320 0.000 0.794 333 P CB 0.421 32.045 31.700 -0.127 0.000 0.955 334 A N 2.514 125.286 122.820 -0.080 0.000 2.563 334 A HA 0.180 4.501 4.320 0.002 0.000 0.256 334 A C 0.639 178.274 177.584 0.084 0.000 1.056 334 A CA 0.204 52.280 52.037 0.065 0.000 0.775 334 A CB -1.314 17.753 19.000 0.112 0.000 0.973 334 A HN 0.678 nan 8.150 nan 0.000 0.516 335 T N 1.987 116.542 114.554 0.001 0.000 2.723 335 T HA 0.010 4.361 4.350 0.002 0.000 0.260 335 T C 0.526 175.218 174.700 -0.014 0.000 1.019 335 T CA 1.153 63.191 62.100 -0.104 0.000 1.155 335 T CB -0.469 68.240 68.868 -0.266 0.000 1.024 335 T HN 1.206 nan 8.240 nan 0.000 0.491 336 Y N -0.490 119.912 120.300 0.170 0.000 2.768 336 Y HA -0.268 4.283 4.550 0.002 0.000 0.480 336 Y C 1.200 177.264 175.900 0.274 0.000 1.271 336 Y CA 1.549 59.813 58.100 0.273 0.000 2.593 336 Y CB -2.353 36.175 38.460 0.114 0.000 0.968 336 Y HN 0.909 nan 8.280 nan 0.000 0.531 337 H N 1.379 120.619 119.070 0.283 0.000 2.654 337 H HA 0.549 5.106 4.556 0.002 0.000 0.376 337 H C 0.691 176.124 175.328 0.176 0.000 1.503 337 H CA 0.735 56.910 56.048 0.211 0.000 1.464 337 H CB 0.286 30.119 29.762 0.119 0.000 1.565 337 H HN 0.300 nan 8.280 nan 0.000 0.614 338 I N -1.515 119.236 120.570 0.301 0.000 2.530 338 I HA 0.534 4.705 4.170 0.002 0.000 0.297 338 I C 0.459 176.620 176.117 0.072 0.000 1.011 338 I CA -1.011 60.395 61.300 0.177 0.000 1.107 338 I CB 2.365 40.499 38.000 0.223 0.000 1.285 338 I HN 0.541 nan 8.210 nan 0.000 0.436 339 A N 4.728 127.534 122.820 -0.023 0.000 1.997 339 A HA 0.410 4.731 4.320 0.002 0.000 0.212 339 A C 0.443 178.055 177.584 0.047 0.000 1.178 339 A CA 0.686 52.621 52.037 -0.170 0.000 0.698 339 A CB -0.055 18.808 19.000 -0.227 0.000 0.842 339 A HN 0.644 nan 8.150 nan 0.000 0.458 340 F N -1.380 118.607 119.950 0.062 0.000 2.520 340 F HA 0.620 5.148 4.527 0.001 0.000 0.322 340 F C 0.597 176.382 175.800 -0.025 0.000 1.103 340 F CA 0.247 58.309 58.000 0.104 0.000 0.926 340 F CB 2.438 41.529 39.000 0.151 0.000 1.154 340 F HN 0.317 nan 8.300 nan 0.000 0.453 341 G N 2.415 111.219 108.800 0.006 0.000 2.320 341 G HA2 0.332 4.292 3.960 0.002 0.000 0.297 341 G HA3 0.332 4.292 3.960 0.002 0.000 0.297 341 G C -3.441 171.247 174.900 -0.353 0.000 1.344 341 G CA -1.065 43.683 45.100 -0.587 0.000 0.851 341 G HN 0.225 nan 8.290 nan 0.000 0.567 342 P HA 0.366 nan 4.420 nan 0.000 0.266 342 P C -0.159 177.104 177.300 -0.061 0.000 1.195 342 P CA -0.091 62.955 63.100 -0.090 0.000 0.768 342 P CB 1.009 32.600 31.700 -0.181 0.000 0.838 343 V N 4.048 123.954 119.914 -0.015 0.000 2.815 343 V HA 0.292 4.412 4.120 0.002 0.000 0.314 343 V C 0.572 176.605 176.094 -0.103 0.000 1.064 343 V CA -0.867 61.392 62.300 -0.069 0.000 0.952 343 V CB 1.871 33.667 31.823 -0.044 0.000 1.020 343 V HN 0.345 nan 8.190 nan 0.000 0.439 344 I N 4.238 124.704 120.570 -0.173 0.000 2.472 344 I HA 0.049 4.220 4.170 0.002 0.000 0.305 344 I C 1.187 177.245 176.117 -0.099 0.000 1.196 344 I CA 0.398 61.600 61.300 -0.164 0.000 1.613 344 I CB -0.520 37.325 38.000 -0.259 0.000 1.501 344 I HN 0.868 nan 8.210 nan 0.000 0.754 345 D N 3.373 123.733 120.400 -0.066 0.000 2.355 345 D HA 0.005 4.646 4.640 0.002 0.000 0.218 345 D C 1.413 177.689 176.300 -0.040 0.000 1.004 345 D CA 0.935 54.903 54.000 -0.053 0.000 0.880 345 D CB 0.604 41.369 40.800 -0.058 0.000 0.911 345 D HN 0.641 nan 8.370 nan 0.000 0.528 346 G N 0.400 109.177 108.800 -0.038 0.000 2.383 346 G HA2 -0.347 3.614 3.960 0.002 0.000 0.229 346 G HA3 -0.347 3.614 3.960 0.002 0.000 0.229 346 G C 0.707 175.583 174.900 -0.041 0.000 1.089 346 G CA 0.514 45.591 45.100 -0.037 0.000 0.640 346 G HN 0.494 nan 8.290 nan 0.000 0.510 347 D N -0.090 120.294 120.400 -0.026 0.000 2.685 347 D HA 0.184 4.825 4.640 0.002 0.000 0.257 347 D C 2.518 178.856 176.300 0.063 0.000 1.472 347 D CA 1.095 55.077 54.000 -0.030 0.000 1.125 347 D CB -0.160 40.640 40.800 0.001 0.000 0.969 347 D HN 0.317 nan 8.370 nan 0.000 0.281 348 V N 0.992 121.023 119.914 0.195 0.000 2.568 348 V HA -0.103 4.018 4.120 0.002 0.000 0.253 348 V C 0.722 176.914 176.094 0.163 0.000 1.072 348 V CA 1.090 63.571 62.300 0.301 0.000 1.084 348 V CB -0.096 31.868 31.823 0.235 0.000 0.676 348 V HN 0.260 nan 8.190 nan 0.000 0.469 349 I N 0.857 121.475 120.570 0.079 0.000 2.750 349 I HA 0.278 4.449 4.170 0.002 0.000 0.279 349 I C -1.725 174.400 176.117 0.014 0.000 1.206 349 I CA -1.948 59.382 61.300 0.049 0.000 1.101 349 I CB 0.323 38.334 38.000 0.019 0.000 1.431 349 I HN 0.159 nan 8.210 nan 0.000 0.551 350 P HA -0.133 nan 4.420 nan 0.000 0.216 350 P C 0.300 177.590 177.300 -0.017 0.000 1.154 350 P CA 1.560 64.657 63.100 -0.004 0.000 0.865 350 P CB 0.558 32.260 31.700 0.003 0.000 0.789 351 D N -3.212 117.182 120.400 -0.011 0.000 2.615 351 D HA 0.144 4.785 4.640 0.002 0.000 0.267 351 D C -1.392 174.895 176.300 -0.020 0.000 1.236 351 D CA -0.880 53.108 54.000 -0.019 0.000 0.839 351 D CB 0.560 41.358 40.800 -0.004 0.000 1.380 351 D HN -0.312 nan 8.370 nan 0.000 0.433 352 D N 1.148 121.533 120.400 -0.025 0.000 2.661 352 D HA 0.004 4.644 4.640 0.002 0.000 0.244 352 D C -1.577 174.743 176.300 0.033 0.000 1.196 352 D CA -0.576 53.418 54.000 -0.009 0.000 0.881 352 D CB 1.009 41.848 40.800 0.064 0.000 1.141 352 D HN 0.054 nan 8.370 nan 0.000 0.530 353 P HA -0.228 nan 4.420 nan 0.000 0.218 353 P C 1.110 178.466 177.300 0.094 0.000 1.147 353 P CA 1.259 64.401 63.100 0.070 0.000 0.827 353 P CB 0.179 31.916 31.700 0.061 0.000 0.778 354 Q N -0.957 118.893 119.800 0.084 0.000 1.969 354 Q HA -0.095 4.246 4.340 0.002 0.000 0.198 354 Q C 2.179 178.238 176.000 0.098 0.000 0.978 354 Q CA 1.086 56.944 55.803 0.092 0.000 0.830 354 Q CB -0.584 28.197 28.738 0.071 0.000 0.896 354 Q HN 0.145 nan 8.270 nan 0.000 0.431 355 I N 1.065 121.681 120.570 0.077 0.000 2.113 355 I HA -0.380 3.791 4.170 0.002 0.000 0.242 355 I C 2.371 178.527 176.117 0.064 0.000 1.057 355 I CA 1.152 62.491 61.300 0.064 0.000 1.314 355 I CB -0.404 37.625 38.000 0.047 0.000 1.022 355 I HN 0.395 nan 8.210 nan 0.000 0.408 356 L N -0.268 120.996 121.223 0.068 0.000 2.021 356 L HA -0.322 4.019 4.340 0.002 0.000 0.215 356 L C 2.613 179.552 176.870 0.115 0.000 1.074 356 L CA 2.169 57.053 54.840 0.074 0.000 0.760 356 L CB -0.664 41.455 42.059 0.100 0.000 0.889 356 L HN 0.407 nan 8.230 nan 0.000 0.433 357 M N -1.084 118.635 119.600 0.199 0.000 2.200 357 M HA -0.175 4.306 4.480 0.002 0.000 0.265 357 M C 1.860 178.337 176.300 0.295 0.000 1.066 357 M CA 1.342 56.854 55.300 0.355 0.000 1.127 357 M CB -0.313 32.480 32.600 0.322 0.000 1.379 357 M HN 0.235 nan 8.290 nan 0.000 0.420 358 E N -0.121 120.200 120.200 0.200 0.000 2.409 358 E HA -0.166 4.185 4.350 0.002 0.000 0.198 358 E C 1.946 178.654 176.600 0.180 0.000 1.024 358 E CA 0.608 57.132 56.400 0.205 0.000 0.861 358 E CB 0.094 29.875 29.700 0.136 0.000 0.788 358 E HN 0.510 nan 8.360 nan 0.000 0.521 359 Q N -1.334 118.476 119.800 0.016 0.000 2.324 359 Q HA 0.114 4.455 4.340 0.002 0.000 0.207 359 Q C 1.598 177.320 176.000 -0.463 0.000 0.928 359 Q CA 1.157 56.892 55.803 -0.113 0.000 0.890 359 Q CB 1.347 30.006 28.738 -0.131 0.000 1.001 359 Q HN 0.369 nan 8.270 nan 0.000 0.517 360 G N 1.245 109.515 108.800 -0.882 0.000 3.151 360 G HA2 -0.277 3.684 3.960 0.002 0.000 0.197 360 G HA3 -0.277 3.684 3.960 0.002 0.000 0.197 360 G C 0.248 174.477 174.900 -1.117 0.000 1.682 360 G CA -0.053 44.185 45.100 -1.437 0.000 1.205 360 G HN 0.273 nan 8.290 nan 0.000 0.510 361 E N 1.440 121.317 120.200 -0.539 0.000 2.722 361 E HA 0.085 4.436 4.350 0.002 0.000 0.180 361 E C 0.140 176.652 176.600 -0.147 0.000 0.796 361 E CA 0.955 57.182 56.400 -0.289 0.000 0.654 361 E CB -1.280 28.348 29.700 -0.119 0.000 1.046 361 E HN 0.664 nan 8.360 nan 0.000 0.334 362 F N -1.856 117.998 119.950 -0.160 0.000 2.754 362 F HA 0.547 5.075 4.527 0.001 0.000 0.320 362 F C -1.273 174.408 175.800 -0.200 0.000 1.156 362 F CA -1.616 56.317 58.000 -0.111 0.000 0.950 362 F CB 0.663 39.643 39.000 -0.034 0.000 1.388 362 F HN -0.329 nan 8.300 nan 0.000 0.485 363 L N 1.444 122.716 121.223 0.081 0.000 2.334 363 L HA 0.360 4.701 4.340 0.002 0.000 0.270 363 L C -0.254 176.489 176.870 -0.211 0.000 1.018 363 L CA -0.816 53.883 54.840 -0.234 0.000 0.811 363 L CB 1.292 43.029 42.059 -0.538 0.000 1.271 363 L HN 0.885 nan 8.230 nan 0.000 0.443 364 N N 0.378 118.989 118.700 -0.148 0.000 2.349 364 N HA -0.030 4.711 4.740 0.002 0.000 0.296 364 N C -1.236 174.244 175.510 -0.050 0.000 1.304 364 N CA 0.135 53.178 53.050 -0.012 0.000 1.051 364 N CB -0.350 38.141 38.487 0.006 0.000 1.466 364 N HN 0.265 nan 8.380 nan 0.000 0.487 365 Y N 0.566 121.058 120.300 0.321 0.000 2.387 365 Y HA 0.260 4.811 4.550 0.001 0.000 0.330 365 Y C 0.025 176.065 175.900 0.233 0.000 1.133 365 Y CA -1.505 56.758 58.100 0.271 0.000 1.152 365 Y CB 1.018 39.678 38.460 0.333 0.000 1.215 365 Y HN 0.401 nan 8.280 nan 0.000 0.466 366 D N 2.748 123.353 120.400 0.341 0.000 2.374 366 D HA 0.246 4.887 4.640 0.002 0.000 0.240 366 D C -0.804 175.738 176.300 0.403 0.000 1.229 366 D CA 0.162 54.344 54.000 0.302 0.000 0.895 366 D CB 0.270 41.140 40.800 0.116 0.000 1.046 366 D HN 0.218 nan 8.370 nan 0.000 0.498 367 I N 2.459 123.214 120.570 0.307 0.000 2.354 367 I HA 0.283 4.454 4.170 0.002 0.000 0.292 367 I C -0.174 175.951 176.117 0.014 0.000 0.989 367 I CA -0.311 61.048 61.300 0.098 0.000 1.188 367 I CB 1.242 39.063 38.000 -0.299 0.000 1.342 367 I HN 0.167 nan 8.210 nan 0.000 0.457 368 M N 8.097 127.621 119.600 -0.127 0.000 2.294 368 M HA 0.638 5.119 4.480 0.002 0.000 0.335 368 M C -1.341 174.876 176.300 -0.138 0.000 1.079 368 M CA -0.733 54.352 55.300 -0.359 0.000 0.982 368 M CB 1.330 33.434 32.600 -0.826 0.000 1.651 368 M HN 0.455 nan 8.290 nan 0.000 0.437 369 L N 0.885 122.049 121.223 -0.099 0.000 2.518 369 L HA 1.133 5.474 4.340 0.002 0.000 0.257 369 L C -0.818 175.584 176.870 -0.781 0.000 0.980 369 L CA -0.743 53.977 54.840 -0.200 0.000 0.837 369 L CB 2.155 44.145 42.059 -0.115 0.000 1.410 369 L HN 0.733 nan 8.230 nan 0.000 0.410 370 G N 0.322 108.500 108.800 -1.037 0.000 2.488 370 G HA2 0.668 4.629 3.960 0.002 0.000 0.301 370 G HA3 0.668 4.629 3.960 0.002 0.000 0.301 370 G C -1.537 172.838 174.900 -0.876 0.000 1.339 370 G CA -0.041 43.920 45.100 -1.897 0.000 0.803 370 G HN 1.392 nan 8.290 nan 0.000 0.482 371 V N -2.413 117.135 119.914 -0.609 0.000 3.120 371 V HA 0.741 4.861 4.120 0.002 0.000 0.303 371 V C -1.106 175.048 176.094 0.099 0.000 1.238 371 V CA -1.452 60.807 62.300 -0.068 0.000 1.008 371 V CB 1.770 33.666 31.823 0.122 0.000 1.064 371 V HN 0.734 nan 8.190 nan 0.000 0.434 372 N N 1.391 120.175 118.700 0.139 0.000 2.458 372 N HA 0.307 5.048 4.740 0.002 0.000 0.271 372 N C 0.789 176.355 175.510 0.093 0.000 1.210 372 N CA -0.232 52.934 53.050 0.193 0.000 0.978 372 N CB 1.431 40.027 38.487 0.180 0.000 1.206 372 N HN 0.988 nan 8.380 nan 0.000 0.536 373 Q N 0.345 120.096 119.800 -0.082 0.000 1.985 373 Q HA -0.092 4.249 4.340 0.002 0.000 0.207 373 Q C 0.121 176.079 176.000 -0.070 0.000 0.996 373 Q CA 1.720 57.307 55.803 -0.360 0.000 0.851 373 Q CB -0.263 27.947 28.738 -0.880 0.000 0.921 373 Q HN 0.748 nan 8.270 nan 0.000 0.418 374 G N 0.115 108.882 108.800 -0.054 0.000 4.138 374 G HA2 0.187 4.148 3.960 0.002 0.000 0.335 374 G HA3 0.187 4.148 3.960 0.002 0.000 0.335 374 G C -0.306 174.623 174.900 0.048 0.000 1.517 374 G CA -0.438 44.699 45.100 0.061 0.000 0.960 374 G HN 0.288 nan 8.290 nan 0.000 0.493 375 E N 1.144 121.333 120.200 -0.018 0.000 2.204 375 E HA -0.094 4.257 4.350 0.002 0.000 0.195 375 E C 2.187 178.708 176.600 -0.131 0.000 0.990 375 E CA 0.951 57.179 56.400 -0.287 0.000 0.821 375 E CB 0.311 29.411 29.700 -1.000 0.000 0.750 375 E HN 0.503 nan 8.360 nan 0.000 0.477 376 G N 1.264 110.246 108.800 0.302 0.000 3.181 376 G HA2 -0.045 3.916 3.960 0.002 0.000 0.219 376 G HA3 -0.045 3.916 3.960 0.002 0.000 0.219 376 G C 1.325 176.501 174.900 0.461 0.000 1.182 376 G CA -0.184 45.329 45.100 0.688 0.000 0.791 376 G HN 0.144 nan 8.290 nan 0.000 0.537 377 L N 0.460 121.859 121.223 0.293 0.000 2.151 377 L HA -0.221 4.120 4.340 0.002 0.000 0.219 377 L C 2.208 179.225 176.870 0.246 0.000 1.083 377 L CA 1.953 56.943 54.840 0.250 0.000 0.782 377 L CB -0.185 41.948 42.059 0.124 0.000 0.891 377 L HN 0.047 nan 8.230 nan 0.000 0.439 378 K N -1.120 119.426 120.400 0.243 0.000 2.442 378 K HA -0.146 4.175 4.320 0.002 0.000 0.198 378 K C 1.972 178.673 176.600 0.168 0.000 1.042 378 K CA 1.094 57.508 56.287 0.211 0.000 0.958 378 K CB -0.526 32.109 32.500 0.225 0.000 0.766 378 K HN 0.464 nan 8.250 nan 0.000 0.474 379 F N 1.656 121.581 119.950 -0.041 0.000 2.146 379 F HA -0.145 4.382 4.527 0.001 0.000 0.298 379 F C 1.390 177.119 175.800 -0.117 0.000 1.096 379 F CA 0.837 58.660 58.000 -0.295 0.000 1.275 379 F CB -0.092 38.559 39.000 -0.581 0.000 1.008 379 F HN -0.189 nan 8.300 nan 0.000 0.480 380 V N -0.267 119.597 119.914 -0.083 0.000 3.099 380 V HA 0.199 4.320 4.120 0.002 0.000 0.387 380 V C -0.599 175.492 176.094 -0.005 0.000 1.358 380 V CA -0.497 61.724 62.300 -0.131 0.000 1.528 380 V CB -1.411 30.413 31.823 0.002 0.000 1.342 380 V HN -0.003 nan 8.190 nan 0.000 0.513 381 D N 2.118 122.497 120.400 -0.036 0.000 2.343 381 D HA 0.520 5.161 4.640 0.002 0.000 0.255 381 D C 1.394 177.707 176.300 0.020 0.000 1.187 381 D CA 1.608 55.633 54.000 0.042 0.000 0.875 381 D CB 1.084 41.924 40.800 0.067 0.000 1.136 381 D HN 0.562 nan 8.370 nan 0.000 0.469 382 G N 3.053 111.886 108.800 0.055 0.000 2.284 382 G HA2 -0.325 3.636 3.960 0.002 0.000 0.261 382 G HA3 -0.325 3.636 3.960 0.002 0.000 0.261 382 G C 1.034 175.950 174.900 0.026 0.000 0.997 382 G CA 0.555 45.681 45.100 0.042 0.000 0.621 382 G HN 0.673 nan 8.290 nan 0.000 0.534 383 I N -0.493 120.077 120.570 0.000 0.000 3.806 383 I HA 0.589 4.760 4.170 0.002 0.000 0.321 383 I C 0.305 176.403 176.117 -0.032 0.000 1.315 383 I CA -0.628 60.662 61.300 -0.017 0.000 1.148 383 I CB 0.201 38.173 38.000 -0.046 0.000 1.028 383 I HN -0.028 nan 8.210 nan 0.000 0.415 384 V N 3.331 123.241 119.914 -0.006 0.000 2.532 384 V HA 0.301 4.422 4.120 0.002 0.000 0.295 384 V C -0.065 176.031 176.094 0.003 0.000 1.041 384 V CA -0.607 61.669 62.300 -0.039 0.000 0.926 384 V CB 1.659 33.487 31.823 0.008 0.000 0.992 384 V HN 0.427 nan 8.190 nan 0.000 0.457 385 D N 2.873 123.255 120.400 -0.030 0.000 2.494 385 D HA 0.141 4.782 4.640 0.002 0.000 0.259 385 D C 0.799 177.110 176.300 0.018 0.000 1.109 385 D CA -0.667 53.331 54.000 -0.003 0.000 1.040 385 D CB 0.907 41.695 40.800 -0.020 0.000 1.175 385 D HN 0.575 nan 8.370 nan 0.000 0.584 386 N N -0.261 118.454 118.700 0.024 0.000 2.430 386 N HA -0.182 4.559 4.740 0.002 0.000 0.186 386 N C 0.402 175.929 175.510 0.029 0.000 1.032 386 N CA 0.631 53.704 53.050 0.037 0.000 0.893 386 N CB -0.085 38.419 38.487 0.028 0.000 0.957 386 N HN 0.398 nan 8.380 nan 0.000 0.442 387 E N 0.888 121.089 120.200 0.001 0.000 2.476 387 E HA -0.021 4.330 4.350 0.002 0.000 0.191 387 E C -0.419 176.152 176.600 -0.047 0.000 1.064 387 E CA 0.066 56.458 56.400 -0.013 0.000 0.866 387 E CB -0.075 29.611 29.700 -0.025 0.000 0.952 387 E HN 0.315 nan 8.360 nan 0.000 0.492 388 D N -0.025 120.335 120.400 -0.068 0.000 2.907 388 D HA -0.142 4.499 4.640 0.002 0.000 0.226 388 D C 0.517 176.577 176.300 -0.400 0.000 1.141 388 D CA 1.348 55.217 54.000 -0.219 0.000 0.779 388 D CB -1.473 39.289 40.800 -0.063 0.000 1.095 388 D HN 0.424 nan 8.370 nan 0.000 0.430 389 G N -1.547 107.088 108.800 -0.276 0.000 3.243 389 G HA2 0.746 4.707 3.960 0.002 0.000 0.248 389 G HA3 0.746 4.707 3.960 0.002 0.000 0.248 389 G C -0.889 173.890 174.900 -0.203 0.000 1.267 389 G CA -0.314 44.635 45.100 -0.251 0.000 0.906 389 G HN 0.186 nan 8.290 nan 0.000 0.592 390 V N -0.016 119.822 119.914 -0.127 0.000 2.971 390 V HA 0.589 4.710 4.120 0.002 0.000 0.309 390 V C 0.066 176.142 176.094 -0.030 0.000 1.130 390 V CA -0.594 61.666 62.300 -0.066 0.000 0.964 390 V CB 1.985 33.788 31.823 -0.034 0.000 1.029 390 V HN 1.150 nan 8.190 nan 0.000 0.427 391 T N 1.003 115.553 114.554 -0.007 0.000 2.909 391 T HA 0.397 4.747 4.350 0.002 0.000 0.286 391 T C -1.902 172.818 174.700 0.033 0.000 1.002 391 T CA -1.859 60.239 62.100 -0.003 0.000 1.074 391 T CB 1.634 70.499 68.868 -0.004 0.000 0.984 391 T HN 0.434 nan 8.240 nan 0.000 0.495 392 P HA -0.175 nan 4.420 nan 0.000 0.217 392 P C 1.640 178.997 177.300 0.095 0.000 1.151 392 P CA 0.888 63.985 63.100 -0.004 0.000 0.849 392 P CB -0.007 31.660 31.700 -0.056 0.000 0.787 393 N N -0.075 118.666 118.700 0.068 0.000 2.036 393 N HA -0.177 4.564 4.740 0.002 0.000 0.195 393 N C 1.128 176.724 175.510 0.142 0.000 1.037 393 N CA 1.815 54.913 53.050 0.080 0.000 0.855 393 N CB -0.608 37.894 38.487 0.025 0.000 1.033 393 N HN 0.036 nan 8.380 nan 0.000 0.423 394 D N -0.363 120.116 120.400 0.133 0.000 2.224 394 D HA -0.097 4.544 4.640 0.002 0.000 0.205 394 D C 1.659 178.072 176.300 0.188 0.000 0.965 394 D CA 0.190 54.289 54.000 0.165 0.000 0.852 394 D CB -0.565 40.291 40.800 0.092 0.000 0.947 394 D HN 0.317 nan 8.370 nan 0.000 0.494 395 F N 1.955 121.930 119.950 0.041 0.000 2.069 395 F HA -0.237 4.291 4.527 0.001 0.000 0.298 395 F C 1.608 177.457 175.800 0.081 0.000 1.113 395 F CA 1.745 59.764 58.000 0.033 0.000 1.214 395 F CB -0.013 38.992 39.000 0.008 0.000 0.978 395 F HN -0.190 nan 8.300 nan 0.000 0.474 396 D N -0.477 120.150 120.400 0.379 0.000 2.117 396 D HA -0.200 4.441 4.640 0.002 0.000 0.198 396 D C 1.890 178.328 176.300 0.231 0.000 0.982 396 D CA 1.346 55.523 54.000 0.295 0.000 0.828 396 D CB -0.483 40.488 40.800 0.285 0.000 0.967 396 D HN 0.315 nan 8.370 nan 0.000 0.464 397 F N 0.334 120.327 119.950 0.072 0.000 2.451 397 F HA -0.023 4.505 4.527 0.001 0.000 0.299 397 F C 2.258 178.069 175.800 0.018 0.000 1.101 397 F CA 0.578 58.605 58.000 0.045 0.000 1.436 397 F CB -0.018 38.999 39.000 0.029 0.000 1.074 397 F HN -0.151 nan 8.300 nan 0.000 0.553 398 S N -1.073 114.601 115.700 -0.043 0.000 2.404 398 S HA -0.046 4.425 4.470 0.002 0.000 0.223 398 S C 2.131 176.728 174.600 -0.005 0.000 1.040 398 S CA 1.104 59.205 58.200 -0.164 0.000 0.957 398 S CB -0.513 62.513 63.200 -0.290 0.000 0.826 398 S HN 0.101 nan 8.310 nan 0.000 0.491 399 V N 1.431 121.313 119.914 -0.053 0.000 2.343 399 V HA -0.100 4.021 4.120 0.002 0.000 0.247 399 V C 2.708 178.911 176.094 0.182 0.000 1.051 399 V CA 2.093 64.418 62.300 0.042 0.000 1.036 399 V CB -0.927 30.868 31.823 -0.047 0.000 0.654 399 V HN 0.604 nan 8.190 nan 0.000 0.451 400 S N 0.351 116.120 115.700 0.116 0.000 2.368 400 S HA -0.194 4.277 4.470 0.002 0.000 0.225 400 S C 1.798 176.445 174.600 0.079 0.000 1.030 400 S CA 1.735 60.004 58.200 0.115 0.000 0.999 400 S CB -0.400 62.867 63.200 0.112 0.000 0.844 400 S HN 0.659 nan 8.310 nan 0.000 0.459 401 N N 0.016 118.704 118.700 -0.020 0.000 2.463 401 N HA 0.051 4.792 4.740 0.002 0.000 0.181 401 N C 1.202 176.809 175.510 0.162 0.000 1.078 401 N CA 0.349 53.374 53.050 -0.042 0.000 0.902 401 N CB -0.301 38.013 38.487 -0.287 0.000 0.970 401 N HN 0.494 nan 8.380 nan 0.000 0.451 402 F N 1.937 121.967 119.950 0.133 0.000 2.084 402 F HA -0.131 4.397 4.527 0.002 0.000 0.296 402 F C 2.124 178.023 175.800 0.165 0.000 1.111 402 F CA 1.029 59.154 58.000 0.208 0.000 1.224 402 F CB -0.450 38.638 39.000 0.147 0.000 0.991 402 F HN -0.253 nan 8.300 nan 0.000 0.471 403 V N 0.684 120.716 119.914 0.197 0.000 2.287 403 V HA -0.327 3.794 4.120 0.002 0.000 0.248 403 V C 2.151 178.308 176.094 0.106 0.000 1.053 403 V CA 2.217 64.600 62.300 0.139 0.000 1.027 403 V CB -0.834 31.108 31.823 0.199 0.000 0.646 403 V HN 0.279 nan 8.190 nan 0.000 0.447 404 D N 0.370 120.826 120.400 0.094 0.000 2.137 404 D HA -0.196 4.445 4.640 0.002 0.000 0.189 404 D C 2.046 178.373 176.300 0.045 0.000 0.998 404 D CA 2.166 56.209 54.000 0.071 0.000 0.839 404 D CB -0.510 40.312 40.800 0.038 0.000 0.962 404 D HN 0.571 nan 8.370 nan 0.000 0.446 405 N N -0.639 118.075 118.700 0.022 0.000 2.058 405 N HA -0.066 4.675 4.740 0.002 0.000 0.191 405 N C 1.915 177.430 175.510 0.009 0.000 1.037 405 N CA 0.710 53.772 53.050 0.021 0.000 0.848 405 N CB -0.001 38.495 38.487 0.014 0.000 1.021 405 N HN 0.084 nan 8.380 nan 0.000 0.422 406 L N -0.820 120.329 121.223 -0.124 0.000 2.013 406 L HA -0.044 4.297 4.340 0.002 0.000 0.204 406 L C 1.292 177.956 176.870 -0.343 0.000 1.081 406 L CA 0.952 55.587 54.840 -0.342 0.000 0.751 406 L CB -0.561 41.037 42.059 -0.768 0.000 0.901 406 L HN 0.166 nan 8.230 nan 0.000 0.440 407 Y N -0.317 119.873 120.300 -0.184 0.000 3.407 407 Y HA 0.329 4.880 4.550 0.002 0.000 0.384 407 Y C 1.592 177.584 175.900 0.153 0.000 0.918 407 Y CA 0.467 58.565 58.100 -0.002 0.000 1.557 407 Y CB -1.132 37.376 38.460 0.080 0.000 1.414 407 Y HN 0.255 nan 8.280 nan 0.000 0.595 408 G N -1.198 107.860 108.800 0.430 0.000 2.682 408 G HA2 -0.360 3.600 3.960 0.002 0.000 0.256 408 G HA3 -0.360 3.600 3.960 0.002 0.000 0.256 408 G C 0.059 175.176 174.900 0.362 0.000 1.333 408 G CA 0.873 46.147 45.100 0.289 0.000 0.904 408 G HN 1.181 nan 8.290 nan 0.000 0.569 409 Y N -2.392 117.963 120.300 0.091 0.000 2.790 409 Y HA -0.261 4.290 4.550 0.001 0.000 0.471 409 Y C -1.771 174.132 175.900 0.006 0.000 1.223 409 Y CA 1.648 59.779 58.100 0.052 0.000 2.588 409 Y CB -1.352 37.155 38.460 0.078 0.000 1.149 409 Y HN 0.988 nan 8.280 nan 0.000 0.597 410 P HA 0.322 nan 4.420 nan 0.000 0.241 410 P C -0.613 176.548 177.300 -0.232 0.000 1.696 410 P CA 0.603 63.456 63.100 -0.411 0.000 1.175 410 P CB 1.272 32.687 31.700 -0.476 0.000 1.551 411 E N 2.634 122.742 120.200 -0.153 0.000 3.647 411 E HA -0.362 3.988 4.350 0.002 0.000 0.326 411 E C 1.130 177.689 176.600 -0.069 0.000 1.559 411 E CA 1.648 57.995 56.400 -0.088 0.000 2.118 411 E CB -1.944 27.703 29.700 -0.087 0.000 1.903 411 E HN 0.592 nan 8.360 nan 0.000 0.435 412 G N 0.965 109.735 108.800 -0.050 0.000 3.815 412 G HA2 -0.547 3.413 3.960 0.002 0.000 0.223 412 G HA3 -0.547 3.413 3.960 0.002 0.000 0.223 412 G C 1.188 176.087 174.900 -0.001 0.000 1.393 412 G CA 3.008 48.086 45.100 -0.036 0.000 1.209 412 G HN 1.286 nan 8.290 nan 0.000 0.635 413 K N 1.791 122.196 120.400 0.009 0.000 2.351 413 K HA -0.264 4.057 4.320 0.002 0.000 0.204 413 K C 1.608 178.250 176.600 0.069 0.000 1.041 413 K CA 2.853 59.176 56.287 0.061 0.000 0.935 413 K CB -1.027 31.532 32.500 0.099 0.000 0.734 413 K HN 0.549 nan 8.250 nan 0.000 0.486 414 D N 0.299 120.732 120.400 0.055 0.000 2.092 414 D HA -0.118 4.523 4.640 0.002 0.000 0.193 414 D C 1.267 177.613 176.300 0.077 0.000 0.994 414 D CA 2.658 56.698 54.000 0.066 0.000 0.828 414 D CB 0.034 40.864 40.800 0.050 0.000 0.963 414 D HN 0.443 nan 8.370 nan 0.000 0.450 415 T N 0.257 114.847 114.554 0.061 0.000 2.821 415 T HA -0.122 4.229 4.350 0.002 0.000 0.267 415 T C 1.865 176.621 174.700 0.094 0.000 1.046 415 T CA 0.903 63.044 62.100 0.068 0.000 1.139 415 T CB -0.377 68.519 68.868 0.046 0.000 0.871 415 T HN 0.129 nan 8.240 nan 0.000 0.454 416 L N 1.940 123.208 121.223 0.075 0.000 2.012 416 L HA -0.072 4.269 4.340 0.002 0.000 0.210 416 L C 2.554 179.515 176.870 0.153 0.000 1.073 416 L CA 1.929 56.815 54.840 0.076 0.000 0.748 416 L CB -0.553 41.488 42.059 -0.031 0.000 0.891 416 L HN 0.118 nan 8.230 nan 0.000 0.431 417 R N -0.582 120.005 120.500 0.146 0.000 2.083 417 R HA -0.253 4.088 4.340 0.002 0.000 0.237 417 R C 2.269 178.693 176.300 0.208 0.000 1.137 417 R CA 2.003 58.212 56.100 0.183 0.000 0.951 417 R CB -0.463 29.930 30.300 0.156 0.000 0.851 417 R HN 0.491 nan 8.270 nan 0.000 0.434 418 E N -0.317 119.996 120.200 0.187 0.000 2.028 418 E HA -0.090 4.260 4.350 0.002 0.000 0.190 418 E C 1.851 178.606 176.600 0.258 0.000 0.984 418 E CA 2.116 58.641 56.400 0.208 0.000 0.800 418 E CB -0.281 29.514 29.700 0.157 0.000 0.758 418 E HN 0.370 nan 8.360 nan 0.000 0.448 419 T N 0.988 115.686 114.554 0.240 0.000 2.652 419 T HA -0.172 4.178 4.350 0.002 0.000 0.267 419 T C 1.897 176.801 174.700 0.340 0.000 1.039 419 T CA 1.586 63.861 62.100 0.292 0.000 1.153 419 T CB -0.409 68.634 68.868 0.292 0.000 0.863 419 T HN 0.145 nan 8.240 nan 0.000 0.428 420 I N 0.827 121.617 120.570 0.367 0.000 2.113 420 I HA -0.327 3.844 4.170 0.002 0.000 0.242 420 I C 2.687 178.973 176.117 0.282 0.000 1.057 420 I CA 1.708 63.197 61.300 0.315 0.000 1.314 420 I CB -0.386 37.840 38.000 0.378 0.000 1.022 420 I HN 0.258 nan 8.210 nan 0.000 0.408 421 K N 0.291 120.879 120.400 0.313 0.000 2.089 421 K HA -0.279 4.042 4.320 0.002 0.000 0.210 421 K C 2.179 179.054 176.600 0.457 0.000 1.048 421 K CA 2.157 58.690 56.287 0.411 0.000 0.926 421 K CB -0.276 32.469 32.500 0.408 0.000 0.714 421 K HN 0.253 nan 8.250 nan 0.000 0.448 422 F N 0.844 120.967 119.950 0.288 0.000 2.128 422 F HA -0.134 4.394 4.527 0.001 0.000 0.295 422 F C 1.988 177.950 175.800 0.270 0.000 1.100 422 F CA 1.193 59.400 58.000 0.345 0.000 1.260 422 F CB -0.087 39.072 39.000 0.264 0.000 1.009 422 F HN -0.042 nan 8.300 nan 0.000 0.476 423 M N -0.901 118.698 119.600 -0.001 0.000 2.374 423 M HA -0.170 4.311 4.480 0.002 0.000 0.264 423 M C 0.463 176.492 176.300 -0.450 0.000 1.067 423 M CA 1.325 56.408 55.300 -0.360 0.000 1.103 423 M CB -1.050 31.164 32.600 -0.643 0.000 1.402 423 M HN 0.226 nan 8.290 nan 0.000 0.444 424 Y N 0.188 120.401 120.300 -0.145 0.000 2.801 424 Y HA 0.207 4.758 4.550 0.002 0.000 0.318 424 Y C 0.100 176.006 175.900 0.010 0.000 1.073 424 Y CA -0.445 57.632 58.100 -0.038 0.000 1.360 424 Y CB -0.064 38.415 38.460 0.032 0.000 1.220 424 Y HN -0.074 nan 8.280 nan 0.000 0.536 425 T N -1.027 113.386 114.554 -0.235 0.000 2.812 425 T HA 0.142 4.493 4.350 0.002 0.000 0.282 425 T C -1.009 173.174 174.700 -0.861 0.000 0.990 425 T CA -0.856 60.867 62.100 -0.629 0.000 0.960 425 T CB 1.708 69.925 68.868 -1.085 0.000 0.948 425 T HN 0.010 nan 8.240 nan 0.000 0.438 426 D N 1.495 121.537 120.400 -0.597 0.000 2.374 426 D HA 0.179 4.820 4.640 0.002 0.000 0.240 426 D C -0.031 176.013 176.300 -0.427 0.000 1.229 426 D CA -0.659 53.100 54.000 -0.403 0.000 0.895 426 D CB 0.356 41.030 40.800 -0.209 0.000 1.046 426 D HN 0.602 nan 8.370 nan 0.000 0.498 427 W N 2.984 124.203 121.300 -0.134 0.000 2.800 427 W HA 0.123 4.784 4.660 0.001 0.000 0.249 427 W C 2.158 178.641 176.519 -0.061 0.000 1.294 427 W CA 0.217 57.506 57.345 -0.092 0.000 1.402 427 W CB -0.037 29.375 29.460 -0.081 0.000 1.126 427 W HN 0.552 nan 8.180 nan 0.000 0.652 428 A N -0.264 122.610 122.820 0.090 0.000 2.015 428 A HA -0.130 4.191 4.320 0.002 0.000 0.219 428 A C 0.767 178.356 177.584 0.009 0.000 1.163 428 A CA 1.729 53.794 52.037 0.047 0.000 0.646 428 A CB -0.157 18.858 19.000 0.023 0.000 0.806 428 A HN 0.099 nan 8.150 nan 0.000 0.448 429 D N -1.422 118.955 120.400 -0.039 0.000 3.060 429 D HA 0.086 4.727 4.640 0.002 0.000 0.326 429 D C 1.220 177.447 176.300 -0.123 0.000 1.253 429 D CA 0.013 53.977 54.000 -0.060 0.000 0.737 429 D CB 0.062 40.830 40.800 -0.053 0.000 1.260 429 D HN 0.390 nan 8.370 nan 0.000 0.542 430 K N 0.229 120.547 120.400 -0.137 0.000 2.001 430 K HA -0.260 4.061 4.320 0.002 0.000 0.214 430 K C 1.508 177.983 176.600 -0.210 0.000 1.050 430 K CA 1.274 57.412 56.287 -0.248 0.000 0.934 430 K CB -0.103 32.279 32.500 -0.197 0.000 0.718 430 K HN 0.148 nan 8.250 nan 0.000 0.443 431 E N 2.219 122.343 120.200 -0.127 0.000 2.023 431 E HA -0.210 4.141 4.350 0.002 0.000 0.196 431 E C 0.529 177.063 176.600 -0.110 0.000 1.003 431 E CA 0.767 57.102 56.400 -0.108 0.000 0.809 431 E CB -0.559 29.102 29.700 -0.065 0.000 0.755 431 E HN 0.380 nan 8.360 nan 0.000 0.449 432 N N 1.409 120.055 118.700 -0.090 0.000 1.923 432 N HA -0.126 4.614 4.740 0.002 0.000 0.305 432 N C -1.747 173.707 175.510 -0.094 0.000 1.339 432 N CA 0.173 53.175 53.050 -0.079 0.000 0.825 432 N CB 0.741 39.188 38.487 -0.067 0.000 1.095 432 N HN 0.142 nan 8.380 nan 0.000 0.498 433 P HA -0.165 nan 4.420 nan 0.000 0.215 433 P C 0.836 178.074 177.300 -0.103 0.000 1.157 433 P CA 1.549 64.593 63.100 -0.092 0.000 0.863 433 P CB 0.045 31.695 31.700 -0.083 0.000 0.787 434 E N -0.682 119.452 120.200 -0.109 0.000 2.204 434 E HA -0.099 4.252 4.350 0.002 0.000 0.194 434 E C 1.636 178.180 176.600 -0.092 0.000 0.989 434 E CA 1.191 57.509 56.400 -0.138 0.000 0.824 434 E CB -1.353 28.269 29.700 -0.130 0.000 0.756 434 E HN 0.110 nan 8.360 nan 0.000 0.477 435 T N 0.875 115.388 114.554 -0.068 0.000 2.821 435 T HA -0.069 4.282 4.350 0.002 0.000 0.267 435 T C 1.766 176.440 174.700 -0.044 0.000 1.046 435 T CA 0.903 62.974 62.100 -0.049 0.000 1.139 435 T CB -0.131 68.700 68.868 -0.061 0.000 0.871 435 T HN 0.133 nan 8.240 nan 0.000 0.454 436 R N 0.606 121.066 120.500 -0.066 0.000 2.280 436 R HA 0.092 4.433 4.340 0.002 0.000 0.207 436 R C 2.513 178.867 176.300 0.091 0.000 1.043 436 R CA 0.463 56.552 56.100 -0.018 0.000 1.006 436 R CB 0.032 30.262 30.300 -0.118 0.000 0.885 436 R HN 0.242 nan 8.270 nan 0.000 0.467 437 R N 0.790 121.287 120.500 -0.006 0.000 2.057 437 R HA -0.050 4.291 4.340 0.002 0.000 0.224 437 R C 1.498 177.805 176.300 0.012 0.000 1.136 437 R CA 1.126 57.196 56.100 -0.050 0.000 0.968 437 R CB 0.083 30.241 30.300 -0.236 0.000 0.863 437 R HN 0.015 nan 8.270 nan 0.000 0.433 438 K N 0.132 120.544 120.400 0.020 0.000 2.281 438 K HA -0.090 4.231 4.320 0.002 0.000 0.203 438 K C 1.806 178.496 176.600 0.150 0.000 1.046 438 K CA 1.929 58.273 56.287 0.096 0.000 0.938 438 K CB -0.086 32.467 32.500 0.090 0.000 0.737 438 K HN 0.384 nan 8.250 nan 0.000 0.458 439 T N 0.769 115.417 114.554 0.158 0.000 2.821 439 T HA -0.063 4.288 4.350 0.002 0.000 0.267 439 T C 1.712 176.582 174.700 0.284 0.000 1.046 439 T CA 0.630 62.883 62.100 0.255 0.000 1.139 439 T CB -0.058 68.977 68.868 0.278 0.000 0.871 439 T HN -0.017 nan 8.240 nan 0.000 0.454 440 L N 1.174 122.509 121.223 0.188 0.000 2.023 440 L HA 0.006 4.347 4.340 0.002 0.000 0.205 440 L C 2.895 179.937 176.870 0.286 0.000 1.073 440 L CA 1.160 56.096 54.840 0.161 0.000 0.745 440 L CB -1.572 40.528 42.059 0.069 0.000 0.900 440 L HN 0.195 nan 8.230 nan 0.000 0.435 441 V N 0.749 120.825 119.914 0.270 0.000 2.250 441 V HA -0.380 3.741 4.120 0.002 0.000 0.253 441 V C 2.875 179.151 176.094 0.303 0.000 1.065 441 V CA 2.099 64.584 62.300 0.310 0.000 1.039 441 V CB -1.350 30.633 31.823 0.267 0.000 0.647 441 V HN 0.502 nan 8.190 nan 0.000 0.446 442 A N -0.127 122.858 122.820 0.276 0.000 1.851 442 A HA -0.236 4.085 4.320 0.002 0.000 0.216 442 A C 2.210 179.970 177.584 0.293 0.000 1.195 442 A CA 2.271 54.498 52.037 0.316 0.000 0.622 442 A CB -0.776 18.442 19.000 0.362 0.000 0.831 442 A HN 0.486 nan 8.150 nan 0.000 0.444 443 L N -1.776 119.510 121.223 0.105 0.000 2.030 443 L HA -0.245 4.096 4.340 0.002 0.000 0.222 443 L C 2.223 178.877 176.870 -0.361 0.000 1.082 443 L CA 2.692 57.230 54.840 -0.502 0.000 0.785 443 L CB -0.648 40.915 42.059 -0.827 0.000 0.895 443 L HN 0.405 nan 8.230 nan 0.000 0.439 444 F N -0.135 119.498 119.950 -0.528 0.000 2.060 444 F HA -0.181 4.347 4.527 0.001 0.000 0.295 444 F C 2.548 178.296 175.800 -0.086 0.000 1.120 444 F CA 2.067 59.746 58.000 -0.535 0.000 1.205 444 F CB -1.019 37.617 39.000 -0.608 0.000 0.986 444 F HN 0.055 nan 8.300 nan 0.000 0.470 445 T N 0.389 115.153 114.554 0.350 0.000 2.680 445 T HA -0.265 4.086 4.350 0.002 0.000 0.268 445 T C 1.413 176.331 174.700 0.363 0.000 1.033 445 T CA 1.933 64.337 62.100 0.506 0.000 1.152 445 T CB -0.482 68.610 68.868 0.374 0.000 0.859 445 T HN 0.234 nan 8.240 nan 0.000 0.452 446 D N -0.065 120.480 120.400 0.243 0.000 2.081 446 D HA -0.104 4.537 4.640 0.002 0.000 0.194 446 D C 1.935 178.201 176.300 -0.056 0.000 0.986 446 D CA 1.107 55.251 54.000 0.240 0.000 0.837 446 D CB -0.817 40.297 40.800 0.525 0.000 0.985 446 D HN 0.428 nan 8.370 nan 0.000 0.448 447 H N 0.516 119.273 119.070 -0.521 0.000 2.422 447 H HA -0.086 4.471 4.556 0.001 0.000 0.298 447 H C 1.462 176.310 175.328 -0.800 0.000 1.098 447 H CA 1.345 56.819 56.048 -0.957 0.000 1.315 447 H CB 0.421 29.518 29.762 -1.108 0.000 1.382 447 H HN 0.110 nan 8.280 nan 0.000 0.523 448 Q N -1.714 117.613 119.800 -0.789 0.000 2.396 448 Q HA -0.011 4.329 4.340 0.002 0.000 0.209 448 Q C 1.529 176.879 176.000 -1.084 0.000 0.906 448 Q CA 0.388 55.427 55.803 -1.274 0.000 0.927 448 Q CB 0.640 28.102 28.738 -2.127 0.000 1.069 448 Q HN 0.632 nan 8.270 nan 0.000 0.523 449 W N -1.366 119.825 121.300 -0.182 0.000 4.634 449 W HA 0.122 4.783 4.660 0.001 0.000 0.188 449 W C 1.696 178.239 176.519 0.041 0.000 1.087 449 W CA -0.030 57.294 57.345 -0.035 0.000 1.788 449 W CB -0.148 29.342 29.460 0.049 0.000 0.651 449 W HN -0.189 nan 8.180 nan 0.000 0.982 450 V N 1.885 121.999 119.914 0.334 0.000 2.223 450 V HA -0.267 3.854 4.120 0.002 0.000 0.244 450 V C 2.593 178.827 176.094 0.234 0.000 1.045 450 V CA 3.107 65.611 62.300 0.340 0.000 1.000 450 V CB -1.621 30.406 31.823 0.340 0.000 0.635 450 V HN 0.072 nan 8.190 nan 0.000 0.445 451 A N 1.257 124.162 122.820 0.142 0.000 1.884 451 A HA -0.195 4.126 4.320 0.002 0.000 0.219 451 A C 0.810 178.420 177.584 0.045 0.000 1.197 451 A CA 2.657 54.757 52.037 0.105 0.000 0.637 451 A CB -2.136 16.877 19.000 0.022 0.000 0.827 451 A HN 0.606 nan 8.150 nan 0.000 0.450 452 P HA -0.067 nan 4.420 nan 0.000 0.215 452 P C 1.719 179.061 177.300 0.070 0.000 1.157 452 P CA 1.908 64.992 63.100 -0.026 0.000 0.856 452 P CB -0.302 31.323 31.700 -0.126 0.000 0.786 453 A N 0.153 123.055 122.820 0.136 0.000 1.892 453 A HA -0.174 4.147 4.320 0.002 0.000 0.218 453 A C 2.563 180.315 177.584 0.280 0.000 1.188 453 A CA 2.214 54.381 52.037 0.216 0.000 0.631 453 A CB -1.809 17.343 19.000 0.254 0.000 0.822 453 A HN 0.067 nan 8.150 nan 0.000 0.447 454 V N -0.390 119.653 119.914 0.215 0.000 2.295 454 V HA -0.230 3.891 4.120 0.002 0.000 0.246 454 V C 3.066 179.157 176.094 -0.005 0.000 1.049 454 V CA 1.945 64.213 62.300 -0.054 0.000 1.024 454 V CB -1.082 30.720 31.823 -0.035 0.000 0.648 454 V HN 0.651 nan 8.190 nan 0.000 0.447 455 A N -0.539 122.320 122.820 0.065 0.000 1.948 455 A HA -0.268 4.053 4.320 0.002 0.000 0.220 455 A C 2.363 180.004 177.584 0.095 0.000 1.177 455 A CA 2.729 54.814 52.037 0.079 0.000 0.636 455 A CB -0.921 18.119 19.000 0.065 0.000 0.815 455 A HN 0.543 nan 8.150 nan 0.000 0.449 456 T N 0.071 114.682 114.554 0.095 0.000 2.770 456 T HA 0.080 4.431 4.350 0.002 0.000 0.263 456 T C 2.265 177.040 174.700 0.124 0.000 1.039 456 T CA 1.372 63.548 62.100 0.126 0.000 1.142 456 T CB -0.516 68.422 68.868 0.117 0.000 0.868 456 T HN 0.615 nan 8.240 nan 0.000 0.435 457 A N 2.054 124.892 122.820 0.030 0.000 1.986 457 A HA -0.213 4.108 4.320 0.002 0.000 0.220 457 A C 2.078 179.658 177.584 -0.006 0.000 1.171 457 A CA 1.751 53.715 52.037 -0.121 0.000 0.640 457 A CB -0.632 18.015 19.000 -0.589 0.000 0.811 457 A HN 0.438 nan 8.150 nan 0.000 0.451 458 D N -0.458 120.010 120.400 0.112 0.000 2.149 458 D HA -0.043 4.598 4.640 0.002 0.000 0.201 458 D C 1.971 178.392 176.300 0.201 0.000 0.972 458 D CA 0.859 55.016 54.000 0.261 0.000 0.835 458 D CB -0.049 40.874 40.800 0.207 0.000 0.966 458 D HN 0.459 nan 8.370 nan 0.000 0.476 459 L N 0.327 121.678 121.223 0.212 0.000 2.007 459 L HA -0.123 4.218 4.340 0.002 0.000 0.205 459 L C 2.595 179.692 176.870 0.378 0.000 1.073 459 L CA 0.893 55.898 54.840 0.274 0.000 0.744 459 L CB -0.511 41.755 42.059 0.344 0.000 0.898 459 L HN 0.133 nan 8.230 nan 0.000 0.435 460 H N -0.220 119.021 119.070 0.286 0.000 2.426 460 H HA -0.202 4.355 4.556 0.001 0.000 0.298 460 H C 2.094 177.589 175.328 0.279 0.000 1.107 460 H CA 1.599 57.811 56.048 0.274 0.000 1.298 460 H CB 0.229 30.037 29.762 0.076 0.000 1.377 460 H HN 0.401 nan 8.280 nan 0.000 0.519 461 A N 1.192 124.206 122.820 0.323 0.000 1.858 461 A HA -0.226 4.095 4.320 0.002 0.000 0.216 461 A C 2.384 180.045 177.584 0.128 0.000 1.190 461 A CA 1.839 54.014 52.037 0.230 0.000 0.617 461 A CB -0.680 18.473 19.000 0.256 0.000 0.827 461 A HN 0.648 nan 8.150 nan 0.000 0.443 462 Q N -2.141 117.680 119.800 0.034 0.000 2.500 462 Q HA -0.102 4.239 4.340 0.002 0.000 0.213 462 Q C -0.398 175.388 176.000 -0.356 0.000 0.974 462 Q CA 1.089 56.780 55.803 -0.187 0.000 0.918 462 Q CB -0.343 28.215 28.738 -0.300 0.000 0.980 462 Q HN 0.661 nan 8.270 nan 0.000 0.505 463 Y N -0.026 120.340 120.300 0.110 0.000 2.635 463 Y HA 0.478 5.029 4.550 0.002 0.000 0.373 463 Y C 1.120 177.073 175.900 0.089 0.000 1.000 463 Y CA -0.411 57.719 58.100 0.050 0.000 1.219 463 Y CB 0.965 39.392 38.460 -0.055 0.000 1.294 463 Y HN 0.230 nan 8.280 nan 0.000 0.612 464 G N 0.275 109.177 108.800 0.170 0.000 2.377 464 G HA2 -0.352 3.609 3.960 0.002 0.000 0.250 464 G HA3 -0.352 3.609 3.960 0.002 0.000 0.250 464 G C 0.472 175.468 174.900 0.160 0.000 1.039 464 G CA 0.490 45.673 45.100 0.138 0.000 0.625 464 G HN 0.592 nan 8.290 nan 0.000 0.526 465 S N 1.565 117.406 115.700 0.235 0.000 2.565 465 S HA 0.608 5.079 4.470 0.002 0.000 0.274 465 S C -2.507 172.236 174.600 0.239 0.000 1.309 465 S CA -1.292 57.068 58.200 0.265 0.000 1.043 465 S CB 1.969 65.414 63.200 0.408 0.000 0.939 465 S HN 0.241 nan 8.310 nan 0.000 0.504 466 P HA 0.245 nan 4.420 nan 0.000 0.270 466 P C -0.748 176.682 177.300 0.216 0.000 1.242 466 P CA 0.023 63.231 63.100 0.180 0.000 0.768 466 P CB 0.250 32.100 31.700 0.249 0.000 0.820 467 T N 4.347 118.970 114.554 0.115 0.000 2.791 467 T HA 0.381 4.732 4.350 0.002 0.000 0.288 467 T C -0.563 174.155 174.700 0.029 0.000 0.999 467 T CA -0.148 62.034 62.100 0.136 0.000 0.952 467 T CB 0.037 69.022 68.868 0.195 0.000 0.938 467 T HN 0.138 nan 8.240 nan 0.000 0.444 468 Y N 1.954 122.159 120.300 -0.159 0.000 2.387 468 Y HA 0.661 5.212 4.550 0.002 0.000 0.330 468 Y C -0.307 175.663 175.900 0.117 0.000 1.133 468 Y CA -1.137 56.820 58.100 -0.239 0.000 1.152 468 Y CB 1.349 39.214 38.460 -0.992 0.000 1.215 468 Y HN 0.577 nan 8.280 nan 0.000 0.466 469 F N 3.549 123.808 119.950 0.515 0.000 2.551 469 F HA 0.512 5.040 4.527 0.001 0.000 0.316 469 F C -1.314 174.967 175.800 0.802 0.000 1.089 469 F CA -1.217 57.072 58.000 0.481 0.000 0.915 469 F CB 1.253 40.396 39.000 0.239 0.000 1.186 469 F HN 0.423 nan 8.300 nan 0.000 0.456 470 Y N 2.623 122.997 120.300 0.124 0.000 2.545 470 Y HA 0.904 5.454 4.550 0.001 0.000 0.348 470 Y C -1.526 174.295 175.900 -0.132 0.000 1.002 470 Y CA -1.718 56.417 58.100 0.057 0.000 1.039 470 Y CB 1.039 39.513 38.460 0.023 0.000 1.271 470 Y HN 0.749 nan 8.280 nan 0.000 0.467 471 A N 3.325 126.233 122.820 0.147 0.000 2.350 471 A HA 0.735 5.055 4.320 0.002 0.000 0.324 471 A C -2.181 175.604 177.584 0.335 0.000 1.118 471 A CA -0.589 51.421 52.037 -0.045 0.000 0.783 471 A CB 0.811 19.413 19.000 -0.662 0.000 1.236 471 A HN 0.725 nan 8.150 nan 0.000 0.457 472 F N 1.927 122.021 119.950 0.240 0.000 2.427 472 F HA 0.546 5.074 4.527 0.002 0.000 0.348 472 F C -0.678 175.238 175.800 0.192 0.000 1.125 472 F CA -0.483 57.625 58.000 0.181 0.000 0.989 472 F CB 1.285 40.378 39.000 0.155 0.000 1.165 472 F HN 0.592 nan 8.300 nan 0.000 0.442 473 Y N 4.285 124.260 120.300 -0.542 0.000 2.713 473 Y HA 0.214 4.765 4.550 0.002 0.000 0.269 473 Y C -0.334 175.393 175.900 -0.289 0.000 1.106 473 Y CA -0.546 57.377 58.100 -0.294 0.000 1.174 473 Y CB 0.250 38.565 38.460 -0.241 0.000 1.186 473 Y HN 0.617 nan 8.280 nan 0.000 0.555 474 H N 0.177 118.880 119.070 -0.612 0.000 2.768 474 H HA 0.515 5.072 4.556 0.001 0.000 0.371 474 H C -1.145 174.093 175.328 -0.150 0.000 1.151 474 H CA -0.815 54.971 56.048 -0.436 0.000 1.165 474 H CB 1.203 30.552 29.762 -0.688 0.000 1.722 474 H HN 0.348 nan 8.280 nan 0.000 0.543 475 H N 1.633 120.566 119.070 -0.229 0.000 3.123 475 H HA 0.273 4.830 4.556 0.001 0.000 0.346 475 H C 0.336 175.739 175.328 0.124 0.000 1.138 475 H CA -0.619 55.526 56.048 0.161 0.000 1.273 475 H CB -0.042 29.788 29.762 0.113 0.000 1.926 475 H HN 0.760 nan 8.280 nan 0.000 0.524 476 c N 1.750 120.555 118.600 0.342 0.000 4.604 476 c HA 0.103 4.674 4.570 0.002 0.000 0.295 476 c C 0.501 174.550 174.090 -0.068 0.000 1.214 476 c CA 0.780 57.217 56.329 0.180 0.000 1.858 476 c CB -1.170 41.424 42.510 0.139 0.000 2.000 476 c HN 0.902 nan 8.230 nan 0.000 0.404 477 Q N -0.391 119.372 119.800 -0.061 0.000 3.284 477 Q HA 0.186 4.527 4.340 0.002 0.000 0.182 477 Q C -1.308 174.644 176.000 -0.081 0.000 0.852 477 Q CA 0.272 56.027 55.803 -0.080 0.000 1.325 477 Q CB 0.634 29.307 28.738 -0.108 0.000 1.536 477 Q HN 0.796 nan 8.270 nan 0.000 0.639 478 S N 1.378 117.059 115.700 -0.031 0.000 2.433 478 S HA 0.217 4.688 4.470 0.002 0.000 0.310 478 S C 0.929 175.503 174.600 -0.044 0.000 1.097 478 S CA -0.398 57.781 58.200 -0.036 0.000 1.103 478 S CB 0.953 64.159 63.200 0.010 0.000 0.992 478 S HN 0.639 nan 8.310 nan 0.000 0.469 479 E N 4.387 124.556 120.200 -0.051 0.000 2.515 479 E HA -0.044 4.307 4.350 0.002 0.000 0.201 479 E C 0.174 176.745 176.600 -0.048 0.000 1.071 479 E CA 0.562 56.932 56.400 -0.050 0.000 0.880 479 E CB -0.185 29.488 29.700 -0.045 0.000 0.828 479 E HN 0.666 nan 8.360 nan 0.000 0.540 480 M N 1.465 121.039 119.600 -0.044 0.000 3.036 480 M HA 0.305 4.785 4.480 0.002 0.000 0.323 480 M C -0.351 175.918 176.300 -0.051 0.000 1.248 480 M CA -0.073 55.199 55.300 -0.047 0.000 0.819 480 M CB 0.590 33.166 32.600 -0.040 0.000 1.361 480 M HN -0.072 nan 8.290 nan 0.000 0.510 481 K N 2.003 122.358 120.400 -0.076 0.000 2.588 481 K HA 0.461 4.781 4.320 0.002 0.000 0.250 481 K C -3.099 173.371 176.600 -0.216 0.000 0.972 481 K CA -1.047 55.169 56.287 -0.118 0.000 0.821 481 K CB 2.656 35.125 32.500 -0.051 0.000 1.249 481 K HN -0.026 nan 8.250 nan 0.000 0.442 482 P HA -0.056 nan 4.420 nan 0.000 0.266 482 P C 0.662 177.654 177.300 -0.514 0.000 1.180 482 P CA 0.258 62.983 63.100 -0.625 0.000 0.765 482 P CB 0.751 31.598 31.700 -1.422 0.000 0.806 483 S N 2.433 117.932 115.700 -0.334 0.000 2.356 483 S HA -0.120 4.351 4.470 0.002 0.000 0.223 483 S C 1.506 176.071 174.600 -0.057 0.000 1.032 483 S CA 1.128 59.253 58.200 -0.125 0.000 1.005 483 S CB -0.687 62.502 63.200 -0.018 0.000 0.867 483 S HN 0.679 nan 8.310 nan 0.000 0.449 484 W N 1.997 123.331 121.300 0.057 0.000 2.480 484 W HA 0.263 4.924 4.660 0.001 0.000 0.257 484 W C 0.670 177.228 176.519 0.065 0.000 1.235 484 W CA 0.024 57.403 57.345 0.056 0.000 1.218 484 W CB -1.246 28.239 29.460 0.042 0.000 1.131 484 W HN 0.334 nan 8.180 nan 0.000 0.606 485 A N 2.550 125.280 122.820 -0.150 0.000 2.483 485 A HA 0.087 4.408 4.320 0.002 0.000 0.238 485 A C 0.001 177.581 177.584 -0.006 0.000 1.070 485 A CA 0.300 52.263 52.037 -0.123 0.000 0.770 485 A CB 0.139 18.906 19.000 -0.387 0.000 1.008 485 A HN 0.159 nan 8.150 nan 0.000 0.497 486 D N 0.751 121.124 120.400 -0.045 0.000 2.217 486 D HA 0.239 4.880 4.640 0.002 0.000 0.248 486 D C 0.131 176.132 176.300 -0.497 0.000 1.008 486 D CA -0.057 53.839 54.000 -0.174 0.000 0.914 486 D CB 1.556 42.330 40.800 -0.043 0.000 1.182 486 D HN 0.477 nan 8.370 nan 0.000 0.451 487 S N 0.669 115.977 115.700 -0.653 0.000 2.964 487 S HA 0.164 4.634 4.470 0.002 0.000 0.356 487 S C 0.244 174.731 174.600 -0.190 0.000 1.118 487 S CA -0.495 57.413 58.200 -0.486 0.000 1.581 487 S CB -0.770 62.392 63.200 -0.063 0.000 1.227 487 S HN 0.435 nan 8.310 nan 0.000 0.594 488 A N 4.174 126.894 122.820 -0.166 0.000 2.336 488 A HA 0.425 4.746 4.320 0.002 0.000 0.278 488 A C 0.216 177.790 177.584 -0.015 0.000 1.371 488 A CA -0.359 51.644 52.037 -0.057 0.000 0.842 488 A CB -0.317 18.673 19.000 -0.017 0.000 1.363 488 A HN 0.958 nan 8.150 nan 0.000 0.517 489 H N -1.428 117.549 119.070 -0.155 0.000 2.848 489 H HA 0.383 4.940 4.556 0.001 0.000 0.341 489 H C 1.339 176.671 175.328 0.007 0.000 1.060 489 H CA 1.418 57.349 56.048 -0.195 0.000 1.444 489 H CB 0.376 29.939 29.762 -0.331 0.000 1.446 489 H HN 1.385 nan 8.280 nan 0.000 0.583 490 G N 4.235 112.752 108.800 -0.471 0.000 2.179 490 G HA2 -0.316 3.645 3.960 0.002 0.000 0.260 490 G HA3 -0.316 3.645 3.960 0.002 0.000 0.260 490 G C 1.026 176.108 174.900 0.303 0.000 0.977 490 G CA 0.517 45.589 45.100 -0.047 0.000 0.641 490 G HN 0.678 nan 8.290 nan 0.000 0.533 491 D N 0.648 121.183 120.400 0.224 0.000 2.317 491 D HA 0.018 4.659 4.640 0.002 0.000 0.211 491 D C 2.355 178.895 176.300 0.399 0.000 0.966 491 D CA 1.106 55.314 54.000 0.348 0.000 0.876 491 D CB 0.014 41.009 40.800 0.325 0.000 0.927 491 D HN 0.723 nan 8.370 nan 0.000 0.519 492 E N 0.928 121.225 120.200 0.162 0.000 2.435 492 E HA -0.054 4.297 4.350 0.002 0.000 0.195 492 E C 1.833 178.360 176.600 -0.121 0.000 1.029 492 E CA 0.256 56.530 56.400 -0.210 0.000 0.865 492 E CB -0.270 28.929 29.700 -0.834 0.000 0.833 492 E HN 0.041 nan 8.360 nan 0.000 0.510 493 V N 2.720 122.677 119.914 0.072 0.000 2.343 493 V HA -0.146 3.975 4.120 0.002 0.000 0.247 493 V C -0.383 175.699 176.094 -0.020 0.000 1.051 493 V CA 2.200 64.569 62.300 0.115 0.000 1.036 493 V CB -1.421 30.622 31.823 0.366 0.000 0.654 493 V HN 0.303 nan 8.190 nan 0.000 0.451 494 P HA -0.140 nan 4.420 nan 0.000 0.217 494 P C 1.315 178.312 177.300 -0.504 0.000 1.151 494 P CA 1.623 64.358 63.100 -0.610 0.000 0.828 494 P CB -0.087 31.169 31.700 -0.739 0.000 0.788 495 Y N 0.204 120.337 120.300 -0.278 0.000 2.163 495 Y HA -0.142 4.409 4.550 0.002 0.000 0.288 495 Y C 2.725 178.345 175.900 -0.466 0.000 1.136 495 Y CA 0.840 58.742 58.100 -0.329 0.000 1.147 495 Y CB -1.720 36.603 38.460 -0.227 0.000 0.987 495 Y HN -0.296 nan 8.280 nan 0.000 0.509 496 V N -0.603 119.029 119.914 -0.470 0.000 2.317 496 V HA -0.337 3.783 4.120 0.002 0.000 0.251 496 V C 1.783 177.507 176.094 -0.617 0.000 1.065 496 V CA 2.023 63.857 62.300 -0.776 0.000 1.049 496 V CB -0.697 30.593 31.823 -0.888 0.000 0.651 496 V HN 0.312 nan 8.190 nan 0.000 0.450 497 F N -0.135 119.629 119.950 -0.309 0.000 2.754 497 F HA 0.417 4.945 4.527 0.002 0.000 0.297 497 F C 1.805 177.416 175.800 -0.314 0.000 1.122 497 F CA 0.664 58.494 58.000 -0.284 0.000 1.400 497 F CB -0.138 38.663 39.000 -0.332 0.000 1.117 497 F HN 0.266 nan 8.300 nan 0.000 0.587 498 G N 0.490 109.148 108.800 -0.237 0.000 2.165 498 G HA2 -0.231 3.730 3.960 0.002 0.000 0.226 498 G HA3 -0.231 3.730 3.960 0.002 0.000 0.226 498 G C 0.980 175.642 174.900 -0.398 0.000 1.035 498 G CA 0.276 45.186 45.100 -0.317 0.000 0.744 498 G HN 0.208 nan 8.290 nan 0.000 0.501 499 I N 0.169 120.437 120.570 -0.503 0.000 2.493 499 I HA -0.061 4.110 4.170 0.002 0.000 0.254 499 I C 0.062 175.745 176.117 -0.723 0.000 1.160 499 I CA 1.189 62.167 61.300 -0.537 0.000 1.445 499 I CB -1.634 35.995 38.000 -0.618 0.000 1.086 499 I HN 0.117 nan 8.210 nan 0.000 0.433 500 P HA -0.093 nan 4.420 nan 0.000 0.222 500 P C 1.816 178.746 177.300 -0.617 0.000 1.147 500 P CA 0.944 63.264 63.100 -1.300 0.000 0.790 500 P CB -0.068 30.932 31.700 -1.168 0.000 0.780 501 M N -1.787 117.541 119.600 -0.454 0.000 2.460 501 M HA -0.025 4.456 4.480 0.002 0.000 0.263 501 M C 1.112 177.283 176.300 -0.215 0.000 1.071 501 M CA 1.145 56.266 55.300 -0.299 0.000 1.096 501 M CB -0.823 31.612 32.600 -0.276 0.000 1.408 501 M HN -0.045 nan 8.290 nan 0.000 0.463 502 I N -2.309 118.131 120.570 -0.217 0.000 4.162 502 I HA 0.545 4.716 4.170 0.002 0.000 0.236 502 I C 0.852 176.916 176.117 -0.088 0.000 1.052 502 I CA -0.790 60.434 61.300 -0.127 0.000 1.457 502 I CB -0.506 37.432 38.000 -0.103 0.000 1.329 502 I HN -0.004 nan 8.210 nan 0.000 0.422 503 G N 1.545 110.330 108.800 -0.025 0.000 2.425 503 G HA2 0.610 4.571 3.960 0.002 0.000 0.302 503 G HA3 0.610 4.571 3.960 0.002 0.000 0.302 503 G C -2.675 172.293 174.900 0.114 0.000 1.159 503 G CA -0.896 44.235 45.100 0.053 0.000 0.865 503 G HN 0.316 nan 8.290 nan 0.000 0.515 504 P HA 0.157 nan 4.420 nan 0.000 0.274 504 P C 0.665 178.030 177.300 0.107 0.000 1.291 504 P CA -0.179 63.047 63.100 0.209 0.000 0.815 504 P CB 0.128 31.824 31.700 -0.007 0.000 0.897 505 T N 0.286 114.915 114.554 0.125 0.000 2.903 505 T HA 0.061 4.412 4.350 0.002 0.000 0.314 505 T C 0.463 175.222 174.700 0.099 0.000 1.078 505 T CA -0.570 61.595 62.100 0.108 0.000 1.114 505 T CB 0.241 69.187 68.868 0.129 0.000 0.987 505 T HN 0.217 nan 8.240 nan 0.000 0.548 506 E N 1.327 121.572 120.200 0.076 0.000 1.954 506 E HA 0.337 4.687 4.350 0.002 0.000 0.272 506 E C 0.366 176.995 176.600 0.048 0.000 1.170 506 E CA 0.138 56.569 56.400 0.053 0.000 1.101 506 E CB -0.581 29.149 29.700 0.050 0.000 1.076 506 E HN 0.672 nan 8.360 nan 0.000 0.449 507 L N 0.294 121.536 121.223 0.031 0.000 1.240 507 L HA -0.028 4.313 4.340 0.002 0.000 0.056 507 L C 0.230 177.033 176.870 -0.111 0.000 1.516 507 L CA 0.008 54.835 54.840 -0.022 0.000 1.123 507 L CB -0.544 41.488 42.059 -0.045 0.000 2.272 507 L HN 0.361 nan 8.230 nan 0.000 0.440 508 F N 1.904 121.805 119.950 -0.082 0.000 2.179 508 F HA 0.176 4.704 4.527 0.001 0.000 0.292 508 F C 1.452 177.191 175.800 -0.103 0.000 1.089 508 F CA 1.429 59.349 58.000 -0.133 0.000 1.295 508 F CB 0.044 38.932 39.000 -0.186 0.000 1.041 508 F HN 0.119 nan 8.300 nan 0.000 0.487 509 S N 0.458 116.208 115.700 0.084 0.000 3.242 509 S HA -0.190 4.280 4.470 0.002 0.000 0.357 509 S C -0.295 174.224 174.600 -0.136 0.000 0.897 509 S CA 0.220 58.396 58.200 -0.040 0.000 1.349 509 S CB -2.062 61.127 63.200 -0.018 0.000 0.981 509 S HN 0.509 nan 8.310 nan 0.000 0.558 510 c N 0.851 119.240 118.600 -0.352 0.000 3.044 510 c HA 0.749 5.320 4.570 0.002 0.000 0.315 510 c C -0.150 173.562 174.090 -0.631 0.000 1.320 510 c CA -1.409 54.652 56.329 -0.446 0.000 1.582 510 c CB 1.222 43.484 42.510 -0.414 0.000 2.039 510 c HN 0.566 nan 8.230 nan 0.000 0.466 511 N N 0.972 119.436 118.700 -0.394 0.000 2.411 511 N HA 0.439 5.180 4.740 0.002 0.000 0.259 511 N C -1.406 173.980 175.510 -0.207 0.000 1.103 511 N CA -0.161 52.735 53.050 -0.257 0.000 0.954 511 N CB 0.055 38.471 38.487 -0.119 0.000 1.085 511 N HN 0.564 nan 8.380 nan 0.000 0.485 512 F N 1.362 121.298 119.950 -0.025 0.000 2.313 512 F HA 0.241 4.768 4.527 0.001 0.000 0.369 512 F C 1.147 176.936 175.800 -0.019 0.000 1.109 512 F CA -1.070 56.912 58.000 -0.030 0.000 1.132 512 F CB -0.016 38.941 39.000 -0.072 0.000 1.291 512 F HN 0.228 nan 8.300 nan 0.000 0.496 513 S N 2.367 118.193 115.700 0.210 0.000 2.641 513 S HA 0.286 4.757 4.470 0.002 0.000 0.261 513 S C 1.357 176.001 174.600 0.074 0.000 1.257 513 S CA -0.740 57.528 58.200 0.112 0.000 0.983 513 S CB 1.103 64.359 63.200 0.094 0.000 0.990 513 S HN 0.569 nan 8.310 nan 0.000 0.572 514 K N 1.081 121.503 120.400 0.037 0.000 2.032 514 K HA -0.109 4.212 4.320 0.002 0.000 0.209 514 K C 1.998 178.598 176.600 -0.000 0.000 1.048 514 K CA 1.798 58.088 56.287 0.006 0.000 0.927 514 K CB -0.452 32.048 32.500 0.001 0.000 0.712 514 K HN 0.520 nan 8.250 nan 0.000 0.441 515 N N 1.005 119.719 118.700 0.025 0.000 2.289 515 N HA -0.156 4.585 4.740 0.002 0.000 0.184 515 N C 1.002 176.513 175.510 0.002 0.000 1.016 515 N CA 1.106 54.166 53.050 0.015 0.000 0.872 515 N CB -0.147 38.372 38.487 0.054 0.000 0.973 515 N HN 0.243 nan 8.380 nan 0.000 0.433 516 D N 0.693 121.144 120.400 0.085 0.000 2.219 516 D HA -0.065 4.576 4.640 0.002 0.000 0.205 516 D C 2.087 178.378 176.300 -0.014 0.000 0.970 516 D CA 0.477 54.567 54.000 0.150 0.000 0.851 516 D CB 0.059 41.052 40.800 0.321 0.000 0.943 516 D HN 0.072 nan 8.370 nan 0.000 0.488 517 V N 1.233 121.091 119.914 -0.092 0.000 2.307 517 V HA -0.231 3.889 4.120 0.002 0.000 0.245 517 V C 2.540 178.539 176.094 -0.158 0.000 1.045 517 V CA 1.300 63.499 62.300 -0.169 0.000 1.024 517 V CB -0.522 31.210 31.823 -0.152 0.000 0.651 517 V HN 0.183 nan 8.190 nan 0.000 0.449 518 M N -0.189 119.338 119.600 -0.120 0.000 2.255 518 M HA -0.285 4.196 4.480 0.002 0.000 0.260 518 M C 2.262 178.469 176.300 -0.156 0.000 1.069 518 M CA 2.439 57.667 55.300 -0.120 0.000 1.089 518 M CB -0.357 32.184 32.600 -0.098 0.000 1.269 518 M HN 0.350 nan 8.290 nan 0.000 0.434 519 L N -0.041 121.064 121.223 -0.197 0.000 1.990 519 L HA -0.230 4.111 4.340 0.002 0.000 0.213 519 L C 2.593 179.344 176.870 -0.198 0.000 1.072 519 L CA 2.412 57.091 54.840 -0.268 0.000 0.755 519 L CB -0.872 40.896 42.059 -0.485 0.000 0.889 519 L HN 0.457 nan 8.230 nan 0.000 0.432 520 S N -1.240 114.404 115.700 -0.094 0.000 2.383 520 S HA -0.221 4.250 4.470 0.002 0.000 0.229 520 S C 2.092 176.563 174.600 -0.215 0.000 1.030 520 S CA 1.196 59.322 58.200 -0.123 0.000 1.002 520 S CB -0.425 62.658 63.200 -0.195 0.000 0.829 520 S HN 0.650 nan 8.310 nan 0.000 0.467 521 A N 0.512 123.192 122.820 -0.233 0.000 1.902 521 A HA -0.031 4.290 4.320 0.002 0.000 0.217 521 A C 2.255 179.841 177.584 0.004 0.000 1.181 521 A CA 1.819 53.726 52.037 -0.216 0.000 0.623 521 A CB -0.816 18.075 19.000 -0.183 0.000 0.818 521 A HN 0.448 nan 8.150 nan 0.000 0.443 522 V N -0.591 119.266 119.914 -0.094 0.000 2.255 522 V HA -0.190 3.931 4.120 0.002 0.000 0.243 522 V C 2.511 178.493 176.094 -0.186 0.000 1.038 522 V CA 1.773 63.986 62.300 -0.145 0.000 1.008 522 V CB -1.162 30.456 31.823 -0.341 0.000 0.645 522 V HN 0.321 nan 8.190 nan 0.000 0.449 523 V N -0.228 119.512 119.914 -0.291 0.000 2.324 523 V HA -0.375 3.746 4.120 0.002 0.000 0.250 523 V C 2.465 178.498 176.094 -0.102 0.000 1.060 523 V CA 2.587 64.687 62.300 -0.334 0.000 1.042 523 V CB -0.663 30.845 31.823 -0.526 0.000 0.650 523 V HN 0.451 nan 8.190 nan 0.000 0.450 524 M N -0.590 118.982 119.600 -0.046 0.000 2.132 524 M HA -0.152 4.329 4.480 0.002 0.000 0.263 524 M C 2.284 178.744 176.300 0.268 0.000 1.065 524 M CA 2.126 57.498 55.300 0.121 0.000 1.122 524 M CB -0.744 31.979 32.600 0.204 0.000 1.365 524 M HN 0.461 nan 8.290 nan 0.000 0.411 525 T N -0.049 114.696 114.554 0.317 0.000 2.595 525 T HA -0.195 4.156 4.350 0.002 0.000 0.264 525 T C 1.552 176.445 174.700 0.322 0.000 1.058 525 T CA 1.475 63.710 62.100 0.224 0.000 1.166 525 T CB -0.687 68.324 68.868 0.239 0.000 0.863 525 T HN 0.188 nan 8.240 nan 0.000 0.415 526 Y N 0.295 120.720 120.300 0.208 0.000 2.029 526 Y HA -0.226 4.325 4.550 0.001 0.000 0.269 526 Y C 2.461 178.526 175.900 0.275 0.000 1.201 526 Y CA 0.704 58.977 58.100 0.288 0.000 1.115 526 Y CB -0.998 37.751 38.460 0.483 0.000 0.945 526 Y HN 0.342 nan 8.280 nan 0.000 0.497 527 W N 0.459 121.857 121.300 0.163 0.000 2.338 527 W HA -0.262 4.398 4.660 0.001 0.000 0.304 527 W C 2.563 179.052 176.519 -0.050 0.000 1.212 527 W CA 2.294 59.645 57.345 0.010 0.000 1.264 527 W CB -0.519 28.873 29.460 -0.114 0.000 1.142 527 W HN 0.303 nan 8.180 nan 0.000 0.512 528 T N -2.796 111.848 114.554 0.150 0.000 2.812 528 T HA -0.155 4.195 4.350 0.002 0.000 0.264 528 T C 1.318 176.009 174.700 -0.014 0.000 1.042 528 T CA 1.394 63.497 62.100 0.006 0.000 1.140 528 T CB -0.976 67.875 68.868 -0.028 0.000 0.870 528 T HN 0.202 nan 8.240 nan 0.000 0.445 529 N N 0.287 119.004 118.700 0.028 0.000 2.205 529 N HA -0.068 4.673 4.740 0.002 0.000 0.186 529 N C 1.483 176.980 175.510 -0.022 0.000 1.015 529 N CA 1.194 54.239 53.050 -0.007 0.000 0.862 529 N CB -0.297 38.197 38.487 0.011 0.000 0.986 529 N HN 0.318 nan 8.380 nan 0.000 0.429 530 F N 2.024 121.836 119.950 -0.231 0.000 2.163 530 F HA 0.095 4.623 4.527 0.002 0.000 0.297 530 F C 2.301 177.961 175.800 -0.233 0.000 1.094 530 F CA 0.666 58.472 58.000 -0.322 0.000 1.290 530 F CB -0.538 38.179 39.000 -0.472 0.000 1.017 530 F HN -0.079 nan 8.300 nan 0.000 0.483 531 A N 0.091 122.753 122.820 -0.265 0.000 2.070 531 A HA -0.170 4.151 4.320 0.002 0.000 0.220 531 A C 2.155 179.606 177.584 -0.221 0.000 1.159 531 A CA 1.711 53.566 52.037 -0.304 0.000 0.656 531 A CB -0.553 18.326 19.000 -0.202 0.000 0.800 531 A HN 0.493 nan 8.150 nan 0.000 0.453 532 K N -1.107 119.195 120.400 -0.164 0.000 2.056 532 K HA -0.025 4.296 4.320 0.002 0.000 0.205 532 K C 2.305 178.829 176.600 -0.127 0.000 1.035 532 K CA 1.667 57.883 56.287 -0.119 0.000 0.955 532 K CB -0.310 32.138 32.500 -0.087 0.000 0.769 532 K HN 0.581 nan 8.250 nan 0.000 0.447 533 T N -3.269 111.211 114.554 -0.123 0.000 3.004 533 T HA 0.202 4.553 4.350 0.002 0.000 0.243 533 T C 1.394 176.043 174.700 -0.084 0.000 1.020 533 T CA 0.662 62.712 62.100 -0.083 0.000 1.145 533 T CB 0.492 69.328 68.868 -0.053 0.000 0.876 533 T HN 0.357 nan 8.240 nan 0.000 0.449 534 G N 1.070 109.799 108.800 -0.118 0.000 2.145 534 G HA2 0.005 3.966 3.960 0.002 0.000 0.176 534 G HA3 0.005 3.966 3.960 0.002 0.000 0.176 534 G C -0.409 174.589 174.900 0.164 0.000 1.013 534 G CA 0.051 45.145 45.100 -0.009 0.000 0.689 534 G HN 0.865 nan 8.290 nan 0.000 0.506 535 D N -0.932 119.491 120.400 0.038 0.000 2.219 535 D HA 0.278 4.919 4.640 0.002 0.000 0.191 535 D C -2.384 173.781 176.300 -0.224 0.000 1.272 535 D CA -0.859 53.034 54.000 -0.179 0.000 0.873 535 D CB 1.126 41.938 40.800 0.021 0.000 1.730 535 D HN -0.067 nan 8.370 nan 0.000 0.519 536 P HA 0.091 nan 4.420 nan 0.000 0.244 536 P C 0.462 177.640 177.300 -0.202 0.000 1.211 536 P CA 0.543 63.464 63.100 -0.299 0.000 0.760 536 P CB 0.169 31.598 31.700 -0.452 0.000 0.961 537 N N -1.010 117.610 118.700 -0.134 0.000 2.184 537 N HA 0.069 4.810 4.740 0.002 0.000 0.206 537 N C 0.622 176.116 175.510 -0.026 0.000 1.151 537 N CA 0.158 53.172 53.050 -0.061 0.000 0.878 537 N CB 0.566 39.041 38.487 -0.020 0.000 1.014 537 N HN 0.184 nan 8.380 nan 0.000 0.512 538 Q N 0.474 120.254 119.800 -0.034 0.000 2.089 538 Q HA 0.310 4.651 4.340 0.002 0.000 0.248 538 Q C -2.248 173.732 176.000 -0.033 0.000 0.828 538 Q CA -1.093 54.697 55.803 -0.023 0.000 1.102 538 Q CB 0.962 29.693 28.738 -0.012 0.000 1.221 538 Q HN 0.189 nan 8.270 nan 0.000 0.455 556 E N 2.623 122.867 120.200 0.074 0.000 3.662 556 E HA 0.164 4.515 4.350 0.002 0.000 0.448 556 E C 0.618 177.332 176.600 0.190 0.000 1.515 556 E CA 0.251 56.723 56.400 0.121 0.000 2.557 556 E CB 0.258 30.011 29.700 0.088 0.000 0.971 556 E HN 0.223 nan 8.360 nan 0.000 0.570 557 V N -2.437 117.595 119.914 0.198 0.000 2.302 557 V HA 0.209 4.330 4.120 0.002 0.000 0.338 557 V C -1.332 174.885 176.094 0.204 0.000 1.542 557 V CA -0.258 62.150 62.300 0.181 0.000 1.121 557 V CB -0.299 31.616 31.823 0.153 0.000 1.559 557 V HN 1.177 nan 8.190 nan 0.000 0.377 558 A N 6.985 129.891 122.820 0.144 0.000 2.376 558 A HA 0.572 4.893 4.320 0.002 0.000 0.298 558 A C -0.581 177.129 177.584 0.210 0.000 1.271 558 A CA -0.040 52.080 52.037 0.138 0.000 0.926 558 A CB 0.166 19.226 19.000 0.099 0.000 1.141 558 A HN 1.410 nan 8.150 nan 0.000 0.539 559 W N 4.269 125.568 121.300 -0.002 0.000 2.338 559 W HA 0.501 5.161 4.660 0.001 0.000 0.307 559 W C 0.006 176.584 176.519 0.097 0.000 1.167 559 W CA -0.922 56.457 57.345 0.057 0.000 1.208 559 W CB 1.286 30.737 29.460 -0.015 0.000 1.228 559 W HN 0.740 nan 8.180 nan 0.000 0.499 560 S N 5.201 121.183 115.700 0.471 0.000 2.758 560 S HA 0.693 5.163 4.470 0.002 0.000 0.292 560 S C -0.294 174.281 174.600 -0.042 0.000 1.131 560 S CA -0.948 57.345 58.200 0.154 0.000 0.997 560 S CB 1.843 65.102 63.200 0.099 0.000 1.111 560 S HN 0.491 nan 8.310 nan 0.000 0.552 561 R N -0.337 120.008 120.500 -0.259 0.000 2.404 561 R HA 0.305 4.645 4.340 0.002 0.000 0.291 561 R C -1.114 175.110 176.300 -0.127 0.000 1.025 561 R CA -0.543 55.271 56.100 -0.477 0.000 0.991 561 R CB 0.560 30.531 30.300 -0.549 0.000 1.053 561 R HN 0.676 nan 8.270 nan 0.000 0.479 562 Y N 3.337 123.550 120.300 -0.144 0.000 2.569 562 Y HA -0.026 4.525 4.550 0.002 0.000 0.332 562 Y C -0.408 175.460 175.900 -0.053 0.000 1.120 562 Y CA 0.264 58.352 58.100 -0.021 0.000 1.416 562 Y CB 0.169 38.669 38.460 0.067 0.000 1.210 562 Y HN 0.628 nan 8.280 nan 0.000 0.528 563 N N 5.481 123.972 118.700 -0.349 0.000 2.249 563 N HA 0.433 5.174 4.740 0.002 0.000 0.296 563 N C -2.842 172.425 175.510 -0.406 0.000 1.051 563 N CA -2.079 50.827 53.050 -0.240 0.000 0.815 563 N CB 2.369 40.772 38.487 -0.140 0.000 1.487 563 N HN 0.137 nan 8.380 nan 0.000 0.475 564 P HA -0.215 nan 4.420 nan 0.000 0.218 564 P C 0.956 178.164 177.300 -0.153 0.000 1.149 564 P CA 1.389 64.375 63.100 -0.190 0.000 0.817 564 P CB 0.179 31.871 31.700 -0.013 0.000 0.785 565 K N -0.419 119.912 120.400 -0.115 0.000 2.063 565 K HA -0.174 4.147 4.320 0.002 0.000 0.208 565 K C 1.221 177.772 176.600 -0.082 0.000 1.048 565 K CA 1.948 58.195 56.287 -0.066 0.000 0.928 565 K CB -0.688 31.782 32.500 -0.050 0.000 0.713 565 K HN 0.015 nan 8.250 nan 0.000 0.442 566 D N 0.019 120.314 120.400 -0.176 0.000 2.369 566 D HA -0.023 4.618 4.640 0.002 0.000 0.231 566 D C 0.077 176.117 176.300 -0.433 0.000 0.967 566 D CA 0.486 54.357 54.000 -0.216 0.000 0.905 566 D CB 0.227 40.921 40.800 -0.177 0.000 1.044 566 D HN 0.265 nan 8.370 nan 0.000 0.487 567 Q N 0.168 119.637 119.800 -0.552 0.000 2.464 567 Q HA -0.141 4.200 4.340 0.002 0.000 0.286 567 Q C -0.875 174.932 176.000 -0.322 0.000 1.343 567 Q CA -0.028 55.332 55.803 -0.738 0.000 0.772 567 Q CB -1.233 27.209 28.738 -0.493 0.000 1.160 567 Q HN 0.185 nan 8.270 nan 0.000 0.422 568 L N 1.602 122.708 121.223 -0.194 0.000 2.385 568 L HA 0.236 4.577 4.340 0.002 0.000 0.281 568 L C 0.375 177.463 176.870 0.363 0.000 1.106 568 L CA 0.499 55.369 54.840 0.051 0.000 0.856 568 L CB -1.554 40.517 42.059 0.019 0.000 1.186 568 L HN 0.176 nan 8.230 nan 0.000 0.453 569 Y N 2.606 123.088 120.300 0.304 0.000 2.528 569 Y HA 0.755 5.306 4.550 0.002 0.000 0.335 569 Y C -0.586 175.468 175.900 0.256 0.000 1.093 569 Y CA -1.808 56.562 58.100 0.450 0.000 1.134 569 Y CB 1.379 40.145 38.460 0.511 0.000 1.253 569 Y HN 0.343 nan 8.280 nan 0.000 0.478 570 L N 3.321 124.592 121.223 0.080 0.000 2.272 570 L HA 0.322 4.663 4.340 0.002 0.000 0.289 570 L C -0.832 175.995 176.870 -0.072 0.000 1.032 570 L CA -0.750 53.926 54.840 -0.274 0.000 0.810 570 L CB 0.141 41.688 42.059 -0.853 0.000 1.205 570 L HN 0.901 nan 8.230 nan 0.000 0.422 571 H N 5.538 124.477 119.070 -0.217 0.000 3.092 571 H HA 0.324 4.881 4.556 0.003 0.000 0.263 571 H C -0.119 175.156 175.328 -0.087 0.000 1.611 571 H CA -0.017 55.998 56.048 -0.054 0.000 1.457 571 H CB -0.247 29.432 29.762 -0.139 0.000 1.731 571 H HN 0.651 nan 8.280 nan 0.000 0.532 572 I N 5.236 125.733 120.570 -0.122 0.000 2.455 572 I HA 0.105 4.276 4.170 0.002 0.000 0.303 572 I C 1.195 177.120 176.117 -0.319 0.000 1.180 572 I CA 0.283 61.485 61.300 -0.163 0.000 1.469 572 I CB -0.179 37.808 38.000 -0.021 0.000 1.480 572 I HN 0.670 nan 8.210 nan 0.000 0.669 573 G N 4.238 112.913 108.800 -0.209 0.000 2.938 573 G HA2 0.280 4.241 3.960 0.002 0.000 0.258 573 G HA3 0.280 4.241 3.960 0.002 0.000 0.258 573 G C 0.730 175.532 174.900 -0.164 0.000 1.356 573 G CA -0.600 44.402 45.100 -0.163 0.000 1.052 573 G HN 0.310 nan 8.290 nan 0.000 0.550 574 L N -1.049 120.144 121.223 -0.050 0.000 2.081 574 L HA 0.036 4.376 4.340 0.002 0.000 0.212 574 L C 0.693 177.512 176.870 -0.085 0.000 1.080 574 L CA 1.762 56.557 54.840 -0.076 0.000 0.754 574 L CB -0.541 41.547 42.059 0.048 0.000 0.893 574 L HN 0.441 nan 8.230 nan 0.000 0.433 575 K N 0.923 121.301 120.400 -0.037 0.000 2.679 575 K HA 0.306 4.627 4.320 0.002 0.000 0.188 575 K C -2.327 174.262 176.600 -0.018 0.000 1.055 575 K CA -1.500 54.770 56.287 -0.029 0.000 1.006 575 K CB 0.819 33.313 32.500 -0.010 0.000 1.317 575 K HN 0.099 nan 8.250 nan 0.000 0.584 576 P HA 0.051 nan 4.420 nan 0.000 0.271 576 P C -0.975 176.319 177.300 -0.009 0.000 1.226 576 P CA -0.311 62.772 63.100 -0.028 0.000 0.765 576 P CB 0.722 32.373 31.700 -0.081 0.000 0.835 577 R N 1.373 121.861 120.500 -0.019 0.000 2.574 577 R HA 0.495 4.836 4.340 0.002 0.000 0.288 577 R C -0.474 175.767 176.300 -0.099 0.000 1.004 577 R CA -1.221 54.852 56.100 -0.045 0.000 0.895 577 R CB 0.613 30.878 30.300 -0.059 0.000 1.191 577 R HN 0.137 nan 8.270 nan 0.000 0.444 578 V N 1.265 121.125 119.914 -0.089 0.000 2.557 578 V HA 0.201 4.322 4.120 0.002 0.000 0.301 578 V C 0.477 176.432 176.094 -0.231 0.000 1.026 578 V CA -0.164 62.047 62.300 -0.149 0.000 1.137 578 V CB -0.399 31.399 31.823 -0.041 0.000 0.917 578 V HN 0.649 nan 8.190 nan 0.000 0.484 579 R N 2.787 122.998 120.500 -0.481 0.000 3.029 579 R HA 0.616 4.957 4.340 0.002 0.000 0.239 579 R C -1.195 174.913 176.300 -0.320 0.000 1.351 579 R CA -0.704 55.159 56.100 -0.394 0.000 1.052 579 R CB 1.735 31.813 30.300 -0.370 0.000 1.354 579 R HN 0.986 nan 8.270 nan 0.000 0.499 580 D N -1.300 119.130 120.400 0.051 0.000 2.738 580 D HA 0.370 5.011 4.640 0.002 0.000 0.237 580 D C 0.003 176.539 176.300 0.392 0.000 1.123 580 D CA -0.469 53.608 54.000 0.127 0.000 0.856 580 D CB 1.559 42.289 40.800 -0.115 0.000 1.552 580 D HN 0.761 nan 8.370 nan 0.000 0.480 581 H N 0.161 119.485 119.070 0.423 0.000 4.704 581 H HA -0.240 4.316 4.556 0.001 0.000 0.076 581 H C -0.460 175.015 175.328 0.245 0.000 0.613 581 H CA 1.150 57.357 56.048 0.266 0.000 0.957 581 H CB -1.443 28.422 29.762 0.172 0.000 0.418 581 H HN 0.565 nan 8.280 nan 0.000 0.800 582 Y N 2.164 122.569 120.300 0.175 0.000 2.809 582 Y HA -0.283 4.268 4.550 0.001 0.000 0.077 582 Y C 0.262 176.195 175.900 0.055 0.000 1.945 582 Y CA 1.165 59.175 58.100 -0.150 0.000 1.154 582 Y CB -1.003 37.050 38.460 -0.679 0.000 1.808 582 Y HN 0.494 nan 8.280 nan 0.000 0.303 583 R N 0.961 121.349 120.500 -0.186 0.000 3.758 583 R HA -0.283 4.058 4.340 0.002 0.000 0.299 583 R C 1.461 177.750 176.300 -0.018 0.000 1.182 583 R CA 0.832 56.836 56.100 -0.160 0.000 0.809 583 R CB -1.737 28.375 30.300 -0.312 0.000 1.249 583 R HN 0.873 nan 8.270 nan 0.000 0.497 584 A N 0.700 123.554 122.820 0.056 0.000 1.986 584 A HA -0.271 4.050 4.320 0.002 0.000 0.220 584 A C 2.309 179.916 177.584 0.038 0.000 1.171 584 A CA 2.187 54.274 52.037 0.083 0.000 0.640 584 A CB -0.675 18.382 19.000 0.095 0.000 0.811 584 A HN 0.651 nan 8.150 nan 0.000 0.451 585 T N -0.895 113.656 114.554 -0.004 0.000 2.643 585 T HA -0.170 4.181 4.350 0.002 0.000 0.264 585 T C 1.813 176.517 174.700 0.007 0.000 1.045 585 T CA 1.376 63.467 62.100 -0.015 0.000 1.155 585 T CB -0.292 68.544 68.868 -0.053 0.000 0.863 585 T HN 0.424 nan 8.240 nan 0.000 0.420 586 K N 1.058 121.450 120.400 -0.014 0.000 2.148 586 K HA 0.076 4.397 4.320 0.002 0.000 0.204 586 K C 2.512 179.224 176.600 0.186 0.000 1.050 586 K CA 0.709 57.004 56.287 0.013 0.000 0.942 586 K CB -0.921 31.587 32.500 0.013 0.000 0.724 586 K HN 0.332 nan 8.250 nan 0.000 0.446 587 V N 1.742 121.773 119.914 0.195 0.000 2.332 587 V HA -0.247 3.873 4.120 0.002 0.000 0.248 587 V C 2.484 178.722 176.094 0.240 0.000 1.055 587 V CA 2.140 64.597 62.300 0.262 0.000 1.038 587 V CB -0.812 31.122 31.823 0.185 0.000 0.651 587 V HN 0.304 nan 8.190 nan 0.000 0.450 588 A N -0.920 121.994 122.820 0.157 0.000 2.016 588 A HA -0.097 4.224 4.320 0.002 0.000 0.217 588 A C 2.039 179.685 177.584 0.104 0.000 1.162 588 A CA 1.196 53.304 52.037 0.120 0.000 0.662 588 A CB -0.594 18.452 19.000 0.077 0.000 0.812 588 A HN 0.508 nan 8.150 nan 0.000 0.450 589 F N -0.423 119.477 119.950 -0.084 0.000 2.095 589 F HA -0.224 4.304 4.527 0.001 0.000 0.298 589 F C 1.942 177.646 175.800 -0.160 0.000 1.104 589 F CA 1.890 59.762 58.000 -0.213 0.000 1.232 589 F CB -0.491 38.252 39.000 -0.429 0.000 0.987 589 F HN 0.416 nan 8.300 nan 0.000 0.475 590 W N 0.047 121.450 121.300 0.171 0.000 2.425 590 W HA -0.040 4.621 4.660 0.002 0.000 0.277 590 W C 1.916 178.433 176.519 -0.004 0.000 1.231 590 W CA 0.456 57.839 57.345 0.062 0.000 1.248 590 W CB -0.170 29.382 29.460 0.153 0.000 1.117 590 W HN 0.026 nan 8.180 nan 0.000 0.568 591 L N -0.977 120.384 121.223 0.229 0.000 2.556 591 L HA 0.159 4.500 4.340 0.002 0.000 0.226 591 L C 1.424 178.359 176.870 0.109 0.000 1.089 591 L CA 0.787 55.719 54.840 0.153 0.000 0.864 591 L CB 0.080 42.225 42.059 0.144 0.000 1.067 591 L HN -0.079 nan 8.230 nan 0.000 0.477 592 E N -1.488 118.751 120.200 0.064 0.000 2.576 592 E HA 0.044 4.395 4.350 0.002 0.000 0.214 592 E C 1.321 177.899 176.600 -0.036 0.000 0.859 592 E CA -0.058 56.374 56.400 0.054 0.000 1.399 592 E CB 0.678 30.400 29.700 0.037 0.000 1.374 592 E HN 0.071 nan 8.360 nan 0.000 0.718 593 L N 0.449 121.594 121.223 -0.131 0.000 2.221 593 L HA 0.113 4.454 4.340 0.002 0.000 0.202 593 L C 1.945 178.707 176.870 -0.181 0.000 1.074 593 L CA 0.957 55.675 54.840 -0.204 0.000 0.795 593 L CB 0.006 41.941 42.059 -0.206 0.000 0.960 593 L HN -0.046 nan 8.230 nan 0.000 0.458 594 V N 1.813 121.547 119.914 -0.300 0.000 2.219 594 V HA -0.194 3.927 4.120 0.002 0.000 0.248 594 V C -0.519 175.621 176.094 0.076 0.000 1.053 594 V CA 2.520 64.725 62.300 -0.158 0.000 1.009 594 V CB -1.658 30.158 31.823 -0.012 0.000 0.636 594 V HN 0.392 nan 8.190 nan 0.000 0.445 595 P HA -0.137 nan 4.420 nan 0.000 0.231 595 P C 0.300 177.688 177.300 0.146 0.000 1.158 595 P CA 0.984 64.184 63.100 0.166 0.000 0.763 595 P CB -0.443 31.339 31.700 0.137 0.000 0.805 596 H N 0.809 119.897 119.070 0.031 0.000 2.955 596 H HA 0.067 4.625 4.556 0.002 0.000 0.290 596 H C 0.680 176.030 175.328 0.037 0.000 1.047 596 H CA -1.033 55.030 56.048 0.026 0.000 1.484 596 H CB 0.170 29.935 29.762 0.005 0.000 1.501 596 H HN -0.046 nan 8.280 nan 0.000 0.521 597 L N 3.832 125.091 121.223 0.061 0.000 4.600 597 L HA -0.299 4.042 4.340 0.002 0.000 0.570 597 L C -0.006 176.944 176.870 0.133 0.000 1.006 597 L CA 1.445 56.322 54.840 0.061 0.000 0.479 597 L CB -0.517 41.556 42.059 0.022 0.000 0.488 597 L HN 0.712 nan 8.230 nan 0.000 1.138 598 H N 4.252 123.365 119.070 0.073 0.000 2.860 598 H HA 0.514 5.071 4.556 0.001 0.000 0.312 598 H C -0.231 175.143 175.328 0.078 0.000 0.995 598 H CA -0.677 55.436 56.048 0.108 0.000 1.311 598 H CB 0.573 30.458 29.762 0.205 0.000 1.478 598 H HN 0.697 nan 8.280 nan 0.000 0.508 599 N N 0.000 118.610 118.700 -0.150 0.000 1.763 599 N HA 0.000 4.741 4.740 0.002 0.000 0.220 599 N CA 0.000 53.017 53.050 -0.055 0.000 0.885 599 N CB 0.000 38.448 38.487 -0.064 0.000 1.341 599 N HN 0.000 nan 8.380 nan 0.000 0.667