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 1owm_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAPILFWHRR DLRLSDNIGL AAARAQSAQL IGLFCLDPQI LQSADMAPAR DATA SEQUENCE VAYLQGCLQE LQQRYQQAGS RLLLLQGDPQ HLIPQLAQQL QAEAVYWNQD DATA SEQUENCE IEPYGRDRDG QVAAALKTAG IRAVQLWDQL LHSPDQILSG SGNPYSVYGP DATA SEQUENCE FWKNWQAQPK PTPVATPTEL VDLSPEQLTA IAPLLLSELP TLKQLGFDWD DATA SEQUENCE GGFPVEPGET AAIARLQEFC DRAIADYDPQ RNFPAEAGTS GLSPALKFGA DATA SEQUENCE IGIRQAWQAA SAAHALSRSD EARNSIRVWQ QELAWREFYQ HALYHFPSLA DATA SEQUENCE DGPYRSLWQQ FPWENREALF TAWTQAQTGY PIVDAAMRQL TETGWMHNRC DATA SEQUENCE RMIVASFLTK DLIIDWRRGE QFFMQHLVDG DLAANNGGWQ WSASSGMDPK DATA SEQUENCE PLRIFNPASQ AKKFDATATY IKRWLPELRH VHPKDLISGE ITPIERRGYP DATA SEQUENCE APIVNHNLRQ KQFKALYNQL KAAI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.597 177.584 0.021 0.000 1.274 2 A CA 0.000 52.048 52.037 0.018 0.000 0.836 2 A CB 0.000 19.012 19.000 0.019 0.000 0.831 3 A N 1.288 124.123 122.820 0.025 0.000 2.893 3 A HA 0.721 5.041 4.320 -0.000 0.000 0.333 3 A C -2.820 174.787 177.584 0.038 0.000 1.152 3 A CA -1.153 50.902 52.037 0.031 0.000 0.782 3 A CB 0.243 19.261 19.000 0.029 0.000 1.108 3 A HN 0.519 nan 8.150 nan 0.000 0.469 4 P HA 0.631 nan 4.420 nan 0.000 0.283 4 P C -0.393 176.950 177.300 0.071 0.000 1.271 4 P CA -0.416 62.716 63.100 0.052 0.000 0.841 4 P CB 1.786 33.515 31.700 0.049 0.000 1.122 5 I N 1.384 122.003 120.570 0.081 0.000 2.377 5 I HA 0.317 4.487 4.170 -0.000 0.000 0.293 5 I C 0.560 176.764 176.117 0.146 0.000 0.987 5 I CA -0.863 60.507 61.300 0.115 0.000 1.185 5 I CB 0.731 38.770 38.000 0.066 0.000 1.341 5 I HN 0.290 nan 8.210 nan 0.000 0.455 6 L N 5.111 126.443 121.223 0.182 0.000 2.289 6 L HA 0.542 4.882 4.340 -0.000 0.000 0.285 6 L C -0.695 176.356 176.870 0.301 0.000 1.049 6 L CA -0.382 54.575 54.840 0.194 0.000 0.804 6 L CB 1.261 43.395 42.059 0.125 0.000 1.195 6 L HN 0.638 nan 8.230 nan 0.000 0.428 7 F N 3.258 123.328 119.950 0.200 0.000 2.402 7 F HA 0.332 4.859 4.527 -0.000 0.000 0.355 7 F C -0.764 175.212 175.800 0.293 0.000 1.123 7 F CA -0.713 57.429 58.000 0.237 0.000 1.021 7 F CB 1.037 40.128 39.000 0.151 0.000 1.160 7 F HN 0.412 nan 8.300 nan 0.000 0.451 8 W N 8.202 129.125 121.300 -0.630 0.000 2.357 8 W HA 0.327 4.987 4.660 -0.000 0.000 0.317 8 W C -0.914 175.302 176.519 -0.505 0.000 1.101 8 W CA -0.961 56.145 57.345 -0.398 0.000 1.380 8 W CB -0.287 29.008 29.460 -0.276 0.000 1.266 8 W HN 0.560 nan 8.180 nan 0.000 0.419 9 H N 4.767 123.976 119.070 0.233 0.000 2.582 9 H HA 0.377 4.933 4.556 -0.000 0.000 0.345 9 H C 0.558 175.943 175.328 0.094 0.000 1.104 9 H CA 0.325 56.543 56.048 0.283 0.000 1.390 9 H CB 1.543 31.634 29.762 0.547 0.000 1.461 9 H HN 0.384 nan 8.280 nan 0.000 0.551 10 R N 0.823 121.425 120.500 0.170 0.000 4.870 10 R HA 0.268 4.608 4.340 -0.000 0.000 0.117 10 R C 0.365 176.869 176.300 0.340 0.000 0.874 10 R CA -0.233 55.917 56.100 0.083 0.000 0.913 10 R CB 0.461 30.569 30.300 -0.321 0.000 1.441 10 R HN 0.297 nan 8.270 nan 0.000 0.411 11 R N 2.071 122.710 120.500 0.232 0.000 2.652 11 R HA 0.220 4.559 4.340 -0.000 0.000 0.372 11 R C -0.887 175.590 176.300 0.295 0.000 1.104 11 R CA 0.123 56.389 56.100 0.277 0.000 1.072 11 R CB 0.612 30.985 30.300 0.121 0.000 1.367 11 R HN 0.368 nan 8.270 nan 0.000 0.577 12 D N -0.161 120.462 120.400 0.372 0.000 2.879 12 D HA 0.053 4.693 4.640 -0.000 0.000 0.351 12 D C -0.033 176.557 176.300 0.483 0.000 1.239 12 D CA -0.403 53.827 54.000 0.383 0.000 0.771 12 D CB -0.275 40.752 40.800 0.379 0.000 1.176 12 D HN 0.015 nan 8.370 nan 0.000 0.496 13 L N 1.760 123.195 121.223 0.354 0.000 2.376 13 L HA 0.319 4.659 4.340 -0.000 0.000 0.250 13 L C 0.600 177.538 176.870 0.113 0.000 1.335 13 L CA 0.016 54.976 54.840 0.199 0.000 1.214 13 L CB -0.789 41.323 42.059 0.088 0.000 1.395 13 L HN 0.247 nan 8.230 nan 0.000 0.424 14 R N 0.296 120.884 120.500 0.147 0.000 2.728 14 R HA 0.333 4.673 4.340 -0.000 0.000 0.274 14 R C -0.699 175.648 176.300 0.078 0.000 1.032 14 R CA -1.028 55.118 56.100 0.077 0.000 0.866 14 R CB 1.021 31.376 30.300 0.091 0.000 1.263 14 R HN -0.003 nan 8.270 nan 0.000 0.475 15 L N 0.801 122.012 121.223 -0.020 0.000 2.408 15 L HA 0.229 4.569 4.340 -0.000 0.000 0.215 15 L C 0.437 177.265 176.870 -0.070 0.000 1.081 15 L CA 1.100 55.884 54.840 -0.094 0.000 0.840 15 L CB 0.495 42.433 42.059 -0.202 0.000 1.002 15 L HN 0.823 nan 8.230 nan 0.000 0.468 16 S N -1.495 114.187 115.700 -0.029 0.000 2.652 16 S HA 0.225 4.694 4.470 -0.000 0.000 0.270 16 S C 0.329 174.935 174.600 0.010 0.000 1.243 16 S CA -0.314 57.877 58.200 -0.016 0.000 0.999 16 S CB 0.942 64.141 63.200 -0.001 0.000 0.973 16 S HN 0.274 nan 8.310 nan 0.000 0.544 17 D N 0.640 121.046 120.400 0.011 0.000 2.829 17 D HA -0.233 4.407 4.640 -0.000 0.000 0.219 17 D C -0.731 175.592 176.300 0.039 0.000 1.239 17 D CA 0.788 54.805 54.000 0.030 0.000 0.685 17 D CB -1.454 39.379 40.800 0.056 0.000 0.950 17 D HN 0.613 nan 8.370 nan 0.000 0.398 18 N N 1.421 120.123 118.700 0.003 0.000 2.524 18 N HA 0.174 4.914 4.740 -0.000 0.000 0.261 18 N C 1.392 176.891 175.510 -0.019 0.000 0.998 18 N CA -0.514 52.537 53.050 0.002 0.000 0.915 18 N CB 0.868 39.315 38.487 -0.067 0.000 1.187 18 N HN 0.013 nan 8.380 nan 0.000 0.507 19 I N 2.437 123.037 120.570 0.049 0.000 2.068 19 I HA -0.228 3.942 4.170 -0.000 0.000 0.238 19 I C 2.604 178.766 176.117 0.076 0.000 1.046 19 I CA 2.207 63.546 61.300 0.065 0.000 1.306 19 I CB -1.506 36.558 38.000 0.107 0.000 1.023 19 I HN 0.718 nan 8.210 nan 0.000 0.399 20 G N -0.170 108.730 108.800 0.165 0.000 2.446 20 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 20 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 20 G C 1.629 176.582 174.900 0.089 0.000 1.168 20 G CA 1.086 46.396 45.100 0.349 0.000 0.771 20 G HN 0.440 nan 8.290 nan 0.000 0.551 21 L N 1.421 122.333 121.223 -0.519 0.000 2.012 21 L HA 0.080 4.420 4.340 -0.000 0.000 0.210 21 L C 3.130 179.800 176.870 -0.334 0.000 1.073 21 L CA 2.202 56.552 54.840 -0.816 0.000 0.748 21 L CB -0.812 40.691 42.059 -0.928 0.000 0.891 21 L HN 0.258 nan 8.230 nan 0.000 0.431 22 A N -0.733 121.966 122.820 -0.202 0.000 1.902 22 A HA -0.129 4.190 4.320 -0.000 0.000 0.217 22 A C 2.447 179.974 177.584 -0.095 0.000 1.181 22 A CA 1.898 53.864 52.037 -0.119 0.000 0.623 22 A CB -1.174 17.787 19.000 -0.064 0.000 0.818 22 A HN 0.558 nan 8.150 nan 0.000 0.443 23 A N -0.170 122.620 122.820 -0.050 0.000 1.902 23 A HA 0.140 4.460 4.320 -0.000 0.000 0.217 23 A C 2.501 179.980 177.584 -0.176 0.000 1.181 23 A CA 2.156 54.193 52.037 -0.001 0.000 0.623 23 A CB -0.996 18.111 19.000 0.180 0.000 0.818 23 A HN 1.069 nan 8.150 nan 0.000 0.443 24 A N -0.292 122.253 122.820 -0.459 0.000 1.902 24 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 24 A C 2.166 179.551 177.584 -0.332 0.000 1.181 24 A CA 2.041 53.604 52.037 -0.789 0.000 0.623 24 A CB -0.421 18.127 19.000 -0.753 0.000 0.818 24 A HN 0.449 nan 8.150 nan 0.000 0.443 25 R N 0.307 120.682 120.500 -0.209 0.000 2.152 25 R HA 0.015 4.355 4.340 -0.000 0.000 0.232 25 R C 1.860 178.110 176.300 -0.083 0.000 1.117 25 R CA 1.633 57.662 56.100 -0.119 0.000 0.981 25 R CB -0.738 29.501 30.300 -0.101 0.000 0.870 25 R HN 0.386 nan 8.270 nan 0.000 0.451 26 A N -0.373 122.399 122.820 -0.081 0.000 2.168 26 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 26 A C 1.507 179.074 177.584 -0.029 0.000 1.152 26 A CA 0.794 52.807 52.037 -0.041 0.000 0.716 26 A CB -0.089 18.898 19.000 -0.023 0.000 0.794 26 A HN 0.301 nan 8.150 nan 0.000 0.465 27 Q N -1.086 118.684 119.800 -0.050 0.000 2.392 27 Q HA 0.193 4.533 4.340 -0.000 0.000 0.219 27 Q C 0.178 176.169 176.000 -0.015 0.000 0.895 27 Q CA 0.800 56.593 55.803 -0.016 0.000 0.929 27 Q CB 0.583 29.325 28.738 0.007 0.000 1.077 27 Q HN 0.478 nan 8.270 nan 0.000 0.532 28 S N -1.669 114.010 115.700 -0.035 0.000 2.556 28 S HA 0.573 5.042 4.470 -0.000 0.000 0.280 28 S C -0.711 173.881 174.600 -0.013 0.000 1.141 28 S CA 0.081 58.273 58.200 -0.013 0.000 0.883 28 S CB 1.230 64.431 63.200 0.003 0.000 1.103 28 S HN 0.060 nan 8.310 nan 0.000 0.453 29 A N 2.606 125.426 122.820 0.001 0.000 2.132 29 A HA 0.244 4.564 4.320 -0.000 0.000 0.213 29 A C 1.178 178.778 177.584 0.027 0.000 1.154 29 A CA 0.448 52.489 52.037 0.007 0.000 0.753 29 A CB -0.311 18.693 19.000 0.007 0.000 0.826 29 A HN 0.768 nan 8.150 nan 0.000 0.469 30 Q N 0.612 120.430 119.800 0.031 0.000 3.254 30 Q HA 0.299 4.639 4.340 -0.000 0.000 0.315 30 Q C -1.112 174.926 176.000 0.063 0.000 1.405 30 Q CA -0.323 55.508 55.803 0.046 0.000 0.966 30 Q CB -0.391 28.370 28.738 0.039 0.000 1.706 30 Q HN 0.355 nan 8.270 nan 0.000 0.525 31 L N 2.653 123.926 121.223 0.083 0.000 2.255 31 L HA 0.407 4.747 4.340 -0.000 0.000 0.289 31 L C -1.047 175.947 176.870 0.207 0.000 1.046 31 L CA -0.276 54.640 54.840 0.127 0.000 0.816 31 L CB 1.263 43.384 42.059 0.103 0.000 1.197 31 L HN 0.138 nan 8.230 nan 0.000 0.427 32 I N 4.107 124.783 120.570 0.177 0.000 2.362 32 I HA 0.681 4.851 4.170 -0.000 0.000 0.289 32 I C 0.981 177.142 176.117 0.074 0.000 0.994 32 I CA -0.748 60.616 61.300 0.107 0.000 1.158 32 I CB 0.590 38.622 38.000 0.053 0.000 1.315 32 I HN 0.803 nan 8.210 nan 0.000 0.451 33 G N 4.178 112.809 108.800 -0.282 0.000 2.562 33 G HA2 0.753 4.713 3.960 -0.000 0.000 0.275 33 G HA3 0.753 4.713 3.960 -0.000 0.000 0.275 33 G C -0.701 174.152 174.900 -0.077 0.000 1.196 33 G CA -0.356 44.607 45.100 -0.228 0.000 0.908 33 G HN 1.147 nan 8.290 nan 0.000 0.524 34 L N -2.080 119.267 121.223 0.208 0.000 2.622 34 L HA 0.881 5.221 4.340 -0.000 0.000 0.258 34 L C -1.693 175.408 176.870 0.385 0.000 0.996 34 L CA -1.185 53.761 54.840 0.177 0.000 0.858 34 L CB 2.257 44.350 42.059 0.057 0.000 1.449 34 L HN 0.507 nan 8.230 nan 0.000 0.411 35 F N 1.955 121.994 119.950 0.149 0.000 2.574 35 F HA 0.696 5.223 4.527 -0.000 0.000 0.313 35 F C -1.145 174.731 175.800 0.127 0.000 1.130 35 F CA -0.753 57.378 58.000 0.218 0.000 0.936 35 F CB 1.787 40.879 39.000 0.153 0.000 1.219 35 F HN 0.929 nan 8.300 nan 0.000 0.445 36 C N 8.234 127.310 119.300 -0.373 0.000 2.281 36 C HA 0.592 5.052 4.460 -0.000 0.000 0.323 36 C C -0.315 174.550 174.990 -0.208 0.000 1.270 36 C CA -0.826 58.069 59.018 -0.204 0.000 1.559 36 C CB -0.479 27.122 27.740 -0.232 0.000 2.239 36 C HN 0.784 nan 8.230 nan 0.000 0.488 37 L N 5.896 127.167 121.223 0.080 0.000 2.454 37 L HA 0.203 4.543 4.340 -0.000 0.000 0.284 37 L C 0.324 177.247 176.870 0.089 0.000 1.139 37 L CA 0.320 55.267 54.840 0.178 0.000 0.911 37 L CB -0.120 42.070 42.059 0.217 0.000 1.262 37 L HN 0.678 nan 8.230 nan 0.000 0.453 38 D N 5.793 126.238 120.400 0.076 0.000 2.316 38 D HA 0.155 4.795 4.640 -0.000 0.000 0.245 38 D C -1.612 174.739 176.300 0.085 0.000 1.171 38 D CA -2.152 51.897 54.000 0.082 0.000 0.856 38 D CB 1.803 42.678 40.800 0.124 0.000 1.090 38 D HN 0.146 nan 8.370 nan 0.000 0.476 39 P HA -0.145 nan 4.420 nan 0.000 0.216 39 P C 1.121 178.444 177.300 0.039 0.000 1.150 39 P CA 1.197 64.333 63.100 0.059 0.000 0.837 39 P CB 0.254 31.980 31.700 0.043 0.000 0.786 40 Q N -1.211 118.606 119.800 0.029 0.000 2.226 40 Q HA -0.104 4.235 4.340 -0.000 0.000 0.204 40 Q C 1.894 177.820 176.000 -0.123 0.000 0.975 40 Q CA 1.201 56.980 55.803 -0.040 0.000 0.866 40 Q CB -0.335 28.386 28.738 -0.030 0.000 0.915 40 Q HN 0.260 nan 8.270 nan 0.000 0.440 41 I N -0.448 120.076 120.570 -0.077 0.000 2.556 41 I HA -0.080 4.090 4.170 -0.000 0.000 0.251 41 I C 2.103 178.235 176.117 0.025 0.000 1.105 41 I CA 0.415 61.673 61.300 -0.071 0.000 1.436 41 I CB -0.688 37.304 38.000 -0.012 0.000 1.139 41 I HN 0.243 nan 8.210 nan 0.000 0.438 42 L N -0.050 121.220 121.223 0.079 0.000 2.083 42 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 42 L C 2.534 179.521 176.870 0.194 0.000 1.083 42 L CA 1.333 56.262 54.840 0.147 0.000 0.752 42 L CB -0.486 41.678 42.059 0.175 0.000 0.899 42 L HN 0.331 nan 8.230 nan 0.000 0.433 43 Q N -0.612 119.257 119.800 0.115 0.000 2.403 43 Q HA 0.066 4.406 4.340 -0.000 0.000 0.203 43 Q C 0.889 176.927 176.000 0.063 0.000 0.932 43 Q CA 0.055 55.911 55.803 0.089 0.000 0.945 43 Q CB 0.283 29.049 28.738 0.047 0.000 1.045 43 Q HN 0.274 nan 8.270 nan 0.000 0.511 44 S N 0.203 115.933 115.700 0.050 0.000 2.549 44 S HA 0.209 4.679 4.470 -0.000 0.000 0.286 44 S C 1.206 175.831 174.600 0.042 0.000 1.314 44 S CA 0.228 58.440 58.200 0.020 0.000 1.062 44 S CB 0.980 64.169 63.200 -0.019 0.000 0.865 44 S HN 0.361 nan 8.310 nan 0.000 0.498 45 A N 3.745 126.582 122.820 0.027 0.000 2.178 45 A HA -0.003 4.316 4.320 -0.000 0.000 0.218 45 A C 1.296 178.898 177.584 0.030 0.000 1.157 45 A CA 1.271 53.329 52.037 0.035 0.000 0.689 45 A CB -0.311 18.708 19.000 0.032 0.000 0.787 45 A HN 0.836 nan 8.150 nan 0.000 0.465 46 D N -1.249 119.162 120.400 0.017 0.000 2.340 46 D HA 0.162 4.801 4.640 -0.000 0.000 0.217 46 D C 0.302 176.598 176.300 -0.006 0.000 1.081 46 D CA 0.082 54.086 54.000 0.006 0.000 0.842 46 D CB 0.022 40.824 40.800 0.005 0.000 0.934 46 D HN 0.410 nan 8.370 nan 0.000 0.511 47 M N 1.237 120.846 119.600 0.015 0.000 2.185 47 M HA 0.410 4.890 4.480 -0.000 0.000 0.357 47 M C -0.599 175.678 176.300 -0.038 0.000 1.260 47 M CA -0.898 54.406 55.300 0.008 0.000 1.124 47 M CB 0.981 33.622 32.600 0.068 0.000 1.600 47 M HN -0.077 nan 8.290 nan 0.000 0.467 48 A N 7.443 130.197 122.820 -0.111 0.000 2.301 48 A HA 0.616 4.936 4.320 -0.000 0.000 0.298 48 A C -2.079 175.363 177.584 -0.236 0.000 1.185 48 A CA -1.394 50.523 52.037 -0.199 0.000 0.830 48 A CB -0.069 18.796 19.000 -0.225 0.000 1.112 48 A HN 0.795 nan 8.150 nan 0.000 0.508 49 P HA -0.200 nan 4.420 nan 0.000 0.215 49 P C 1.647 178.737 177.300 -0.350 0.000 1.153 49 P CA 2.288 65.324 63.100 -0.106 0.000 0.853 49 P CB 0.237 32.046 31.700 0.181 0.000 0.788 50 A N -0.600 121.787 122.820 -0.723 0.000 1.972 50 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 50 A C 2.370 179.716 177.584 -0.397 0.000 1.169 50 A CA 1.514 52.833 52.037 -1.196 0.000 0.635 50 A CB -1.054 16.982 19.000 -1.607 0.000 0.810 50 A HN 0.028 nan 8.150 nan 0.000 0.446 51 R N -0.555 119.794 120.500 -0.250 0.000 2.090 51 R HA -0.052 4.288 4.340 -0.000 0.000 0.228 51 R C 1.877 178.109 176.300 -0.113 0.000 1.110 51 R CA 1.445 57.537 56.100 -0.014 0.000 0.973 51 R CB -0.263 30.082 30.300 0.075 0.000 0.869 51 R HN 0.333 nan 8.270 nan 0.000 0.440 52 V N 0.704 120.453 119.914 -0.275 0.000 2.427 52 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 52 V C 2.370 178.321 176.094 -0.238 0.000 1.051 52 V CA 1.830 63.907 62.300 -0.372 0.000 1.048 52 V CB -0.682 30.666 31.823 -0.793 0.000 0.666 52 V HN 0.469 nan 8.190 nan 0.000 0.456 53 A N -0.677 122.082 122.820 -0.101 0.000 1.873 53 A HA -0.252 4.068 4.320 -0.000 0.000 0.215 53 A C 2.186 179.774 177.584 0.006 0.000 1.186 53 A CA 1.997 54.097 52.037 0.104 0.000 0.616 53 A CB -0.794 18.456 19.000 0.416 0.000 0.823 53 A HN 0.601 nan 8.150 nan 0.000 0.442 54 Y N 0.065 120.286 120.300 -0.132 0.000 2.181 54 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 54 Y C 2.072 177.659 175.900 -0.522 0.000 1.146 54 Y CA 1.855 59.685 58.100 -0.450 0.000 1.164 54 Y CB -0.295 38.001 38.460 -0.274 0.000 0.982 54 Y HN 0.276 nan 8.280 nan 0.000 0.515 55 L N 0.551 121.444 121.223 -0.551 0.000 1.989 55 L HA -0.246 4.094 4.340 -0.000 0.000 0.211 55 L C 2.453 178.983 176.870 -0.567 0.000 1.071 55 L CA 2.240 56.605 54.840 -0.792 0.000 0.749 55 L CB -1.212 40.384 42.059 -0.770 0.000 0.890 55 L HN 0.321 nan 8.230 nan 0.000 0.431 56 Q N -0.164 119.395 119.800 -0.403 0.000 2.135 56 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 56 Q C 2.040 177.855 176.000 -0.309 0.000 0.981 56 Q CA 1.879 57.501 55.803 -0.301 0.000 0.856 56 Q CB -0.588 28.048 28.738 -0.170 0.000 0.902 56 Q HN 0.698 nan 8.270 nan 0.000 0.425 57 G N -0.049 108.531 108.800 -0.368 0.000 2.418 57 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 57 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 57 G C 1.707 176.356 174.900 -0.417 0.000 1.158 57 G CA 0.954 45.826 45.100 -0.380 0.000 0.771 57 G HN 0.453 nan 8.290 nan 0.000 0.545 58 C N 0.261 119.235 119.300 -0.544 0.000 2.446 58 C HA 0.099 4.559 4.460 -0.000 0.000 0.277 58 C C 2.896 177.699 174.990 -0.312 0.000 1.275 58 C CA 0.409 59.165 59.018 -0.436 0.000 1.727 58 C CB -1.025 26.445 27.740 -0.450 0.000 2.010 58 C HN 0.425 nan 8.230 nan 0.000 0.486 59 L N 0.235 121.245 121.223 -0.355 0.000 2.083 59 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 59 L C 2.823 179.573 176.870 -0.200 0.000 1.083 59 L CA 1.459 56.111 54.840 -0.313 0.000 0.752 59 L CB -0.827 40.979 42.059 -0.422 0.000 0.899 59 L HN 0.472 nan 8.230 nan 0.000 0.433 60 Q N -0.160 119.526 119.800 -0.190 0.000 2.061 60 Q HA -0.298 4.042 4.340 -0.000 0.000 0.204 60 Q C 2.167 178.106 176.000 -0.101 0.000 0.984 60 Q CA 2.015 57.742 55.803 -0.127 0.000 0.846 60 Q CB -0.160 28.505 28.738 -0.122 0.000 0.902 60 Q HN 0.503 nan 8.270 nan 0.000 0.421 61 E N 0.380 120.506 120.200 -0.124 0.000 2.077 61 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 61 E C 2.002 178.564 176.600 -0.063 0.000 0.989 61 E CA 0.595 56.940 56.400 -0.092 0.000 0.800 61 E CB -0.005 29.629 29.700 -0.110 0.000 0.746 61 E HN 0.149 nan 8.360 nan 0.000 0.452 62 L N 1.477 122.655 121.223 -0.075 0.000 2.129 62 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 62 L C 2.102 179.022 176.870 0.084 0.000 1.087 62 L CA 1.776 56.604 54.840 -0.019 0.000 0.757 62 L CB -0.415 41.600 42.059 -0.074 0.000 0.896 62 L HN 0.196 nan 8.230 nan 0.000 0.434 63 Q N -1.264 118.553 119.800 0.029 0.000 2.084 63 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 63 Q C 2.194 178.240 176.000 0.077 0.000 0.978 63 Q CA 1.918 57.756 55.803 0.059 0.000 0.844 63 Q CB -0.235 28.505 28.738 0.004 0.000 0.898 63 Q HN 0.669 nan 8.270 nan 0.000 0.426 64 Q N 0.031 119.849 119.800 0.029 0.000 2.050 64 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 64 Q C 2.211 178.224 176.000 0.020 0.000 0.980 64 Q CA 0.732 56.546 55.803 0.018 0.000 0.840 64 Q CB -0.028 28.705 28.738 -0.009 0.000 0.898 64 Q HN 0.227 nan 8.270 nan 0.000 0.424 65 R N -0.002 120.498 120.500 0.000 0.000 2.083 65 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 65 R C 2.055 178.310 176.300 -0.076 0.000 1.137 65 R CA 1.469 57.535 56.100 -0.057 0.000 0.951 65 R CB -0.727 29.510 30.300 -0.105 0.000 0.851 65 R HN 0.384 nan 8.270 nan 0.000 0.434 66 Y N 1.293 121.589 120.300 -0.007 0.000 2.181 66 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 66 Y C 2.836 178.743 175.900 0.012 0.000 1.146 66 Y CA 1.532 59.641 58.100 0.014 0.000 1.164 66 Y CB -0.276 38.203 38.460 0.031 0.000 0.982 66 Y HN 0.093 nan 8.280 nan 0.000 0.515 67 Q N 0.699 120.593 119.800 0.158 0.000 2.096 67 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 67 Q C 1.850 177.880 176.000 0.050 0.000 0.982 67 Q CA 1.984 57.842 55.803 0.091 0.000 0.850 67 Q CB -0.183 28.591 28.738 0.061 0.000 0.901 67 Q HN 0.616 nan 8.270 nan 0.000 0.422 68 Q N -0.765 119.050 119.800 0.025 0.000 2.230 68 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 68 Q C 1.872 177.868 176.000 -0.008 0.000 0.963 68 Q CA 1.094 56.898 55.803 0.002 0.000 0.866 68 Q CB -0.057 28.673 28.738 -0.014 0.000 0.931 68 Q HN 0.387 nan 8.270 nan 0.000 0.452 69 A N 0.065 122.873 122.820 -0.019 0.000 2.067 69 A HA 0.183 4.503 4.320 -0.000 0.000 0.217 69 A C 1.675 179.262 177.584 0.005 0.000 1.156 69 A CA 1.308 53.324 52.037 -0.035 0.000 0.683 69 A CB -0.086 18.850 19.000 -0.106 0.000 0.808 69 A HN 0.480 nan 8.150 nan 0.000 0.455 70 G N -1.992 106.831 108.800 0.039 0.000 2.318 70 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.172 70 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.172 70 G C 0.638 175.584 174.900 0.078 0.000 1.002 70 G CA 0.817 45.946 45.100 0.048 0.000 0.697 70 G HN 1.511 nan 8.290 nan 0.000 0.483 71 S N -0.230 115.549 115.700 0.132 0.000 4.353 71 S HA 0.895 5.365 4.470 -0.000 0.000 0.229 71 S C 0.056 174.756 174.600 0.166 0.000 1.098 71 S CA 0.527 58.817 58.200 0.150 0.000 1.695 71 S CB 1.332 64.645 63.200 0.188 0.000 1.097 71 S HN 1.478 nan 8.310 nan 0.000 0.745 72 R N -0.776 119.818 120.500 0.156 0.000 2.741 72 R HA 0.713 5.053 4.340 -0.000 0.000 0.274 72 R C -2.305 173.866 176.300 -0.214 0.000 1.029 72 R CA -0.981 55.156 56.100 0.062 0.000 0.880 72 R CB 0.641 30.955 30.300 0.024 0.000 1.264 72 R HN 0.574 nan 8.270 nan 0.000 0.465 73 L N 1.882 122.987 121.223 -0.197 0.000 2.298 73 L HA 0.465 4.804 4.340 -0.000 0.000 0.284 73 L C -1.159 175.646 176.870 -0.109 0.000 1.013 73 L CA -0.606 54.048 54.840 -0.311 0.000 0.824 73 L CB 1.355 43.309 42.059 -0.174 0.000 1.221 73 L HN 0.585 nan 8.230 nan 0.000 0.418 74 L N 5.856 127.030 121.223 -0.081 0.000 2.371 74 L HA 0.402 4.742 4.340 -0.000 0.000 0.272 74 L C -0.544 176.346 176.870 0.034 0.000 1.124 74 L CA -0.362 54.467 54.840 -0.018 0.000 0.816 74 L CB 0.883 42.929 42.059 -0.022 0.000 1.129 74 L HN 0.551 nan 8.230 nan 0.000 0.448 75 L N 4.228 125.475 121.223 0.041 0.000 2.341 75 L HA 0.612 4.952 4.340 -0.000 0.000 0.278 75 L C -0.842 176.062 176.870 0.057 0.000 1.005 75 L CA -0.546 54.346 54.840 0.086 0.000 0.818 75 L CB 1.871 43.975 42.059 0.075 0.000 1.259 75 L HN 0.369 nan 8.230 nan 0.000 0.418 76 L N 2.511 123.775 121.223 0.068 0.000 2.376 76 L HA 0.576 4.915 4.340 -0.000 0.000 0.258 76 L C -0.667 176.229 176.870 0.043 0.000 1.013 76 L CA -0.324 54.529 54.840 0.021 0.000 0.822 76 L CB 2.106 44.138 42.059 -0.045 0.000 1.388 76 L HN 0.511 nan 8.230 nan 0.000 0.413 77 Q N 0.295 120.109 119.800 0.024 0.000 2.337 77 Q HA 0.688 5.028 4.340 -0.000 0.000 0.260 77 Q C -0.693 175.314 176.000 0.012 0.000 0.982 77 Q CA -0.090 55.736 55.803 0.037 0.000 0.734 77 Q CB 1.728 30.497 28.738 0.052 0.000 1.272 77 Q HN 0.894 nan 8.270 nan 0.000 0.461 78 G N 2.325 111.129 108.800 0.006 0.000 2.333 78 G HA2 0.020 3.979 3.960 -0.000 0.000 0.288 78 G HA3 0.020 3.979 3.960 -0.000 0.000 0.288 78 G C -1.811 173.087 174.900 -0.004 0.000 1.286 78 G CA -0.833 44.264 45.100 -0.005 0.000 0.865 78 G HN 0.557 nan 8.290 nan 0.000 0.506 79 D N 0.539 120.935 120.400 -0.007 0.000 2.371 79 D HA 0.498 5.138 4.640 -0.000 0.000 0.256 79 D C -0.954 175.347 176.300 0.003 0.000 1.193 79 D CA -1.421 52.594 54.000 0.025 0.000 0.881 79 D CB 1.727 42.544 40.800 0.029 0.000 1.143 79 D HN -0.011 nan 8.370 nan 0.000 0.473 80 P HA -0.211 nan 4.420 nan 0.000 0.215 80 P C 1.005 178.182 177.300 -0.205 0.000 1.157 80 P CA 1.453 64.444 63.100 -0.181 0.000 0.874 80 P CB -0.071 31.571 31.700 -0.097 0.000 0.790 81 Q N -1.938 117.807 119.800 -0.092 0.000 2.437 81 Q HA -0.181 4.159 4.340 -0.000 0.000 0.210 81 Q C 1.146 177.035 176.000 -0.185 0.000 0.972 81 Q CA 1.444 57.167 55.803 -0.133 0.000 0.903 81 Q CB -0.655 28.021 28.738 -0.103 0.000 0.967 81 Q HN 0.381 nan 8.270 nan 0.000 0.486 82 H N 0.121 119.125 119.070 -0.109 0.000 2.393 82 H HA 0.216 4.772 4.556 -0.000 0.000 0.307 82 H C 1.836 177.097 175.328 -0.112 0.000 1.038 82 H CA 0.824 56.819 56.048 -0.087 0.000 1.351 82 H CB 0.216 29.941 29.762 -0.061 0.000 1.464 82 H HN 0.030 nan 8.280 nan 0.000 0.575 83 L N -0.076 121.144 121.223 -0.005 0.000 2.056 83 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 83 L C 2.416 179.184 176.870 -0.170 0.000 1.078 83 L CA 0.899 55.688 54.840 -0.085 0.000 0.749 83 L CB -0.487 41.510 42.059 -0.102 0.000 0.901 83 L HN 0.200 nan 8.230 nan 0.000 0.433 84 I N -0.332 120.064 120.570 -0.289 0.000 2.179 84 I HA -0.129 4.041 4.170 -0.000 0.000 0.242 84 I C -0.033 175.951 176.117 -0.221 0.000 1.088 84 I CA 1.647 62.720 61.300 -0.377 0.000 1.357 84 I CB -1.919 35.663 38.000 -0.697 0.000 1.051 84 I HN 0.266 nan 8.210 nan 0.000 0.409 85 P HA -0.146 nan 4.420 nan 0.000 0.217 85 P C 1.792 179.047 177.300 -0.076 0.000 1.151 85 P CA 1.213 64.251 63.100 -0.104 0.000 0.828 85 P CB -0.108 31.529 31.700 -0.106 0.000 0.788 86 Q N -0.962 118.792 119.800 -0.076 0.000 2.084 86 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 86 Q C 2.079 178.051 176.000 -0.048 0.000 0.978 86 Q CA 1.092 56.866 55.803 -0.048 0.000 0.844 86 Q CB -0.789 27.930 28.738 -0.033 0.000 0.898 86 Q HN 0.163 nan 8.270 nan 0.000 0.426 87 L N 0.515 121.697 121.223 -0.069 0.000 2.017 87 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 87 L C 2.173 179.018 176.870 -0.043 0.000 1.073 87 L CA 2.068 56.872 54.840 -0.061 0.000 0.745 87 L CB -0.703 41.301 42.059 -0.092 0.000 0.894 87 L HN 0.125 nan 8.230 nan 0.000 0.432 88 A N -1.082 121.710 122.820 -0.048 0.000 1.908 88 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 88 A C 2.325 179.904 177.584 -0.009 0.000 1.181 88 A CA 1.970 53.996 52.037 -0.018 0.000 0.627 88 A CB -0.756 18.238 19.000 -0.010 0.000 0.818 88 A HN 0.669 nan 8.150 nan 0.000 0.445 89 Q N -1.303 118.487 119.800 -0.018 0.000 2.050 89 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 89 Q C 2.194 178.189 176.000 -0.008 0.000 0.980 89 Q CA 1.517 57.313 55.803 -0.012 0.000 0.840 89 Q CB -0.148 28.579 28.738 -0.017 0.000 0.898 89 Q HN 0.569 nan 8.270 nan 0.000 0.424 90 Q N -0.205 119.588 119.800 -0.012 0.000 2.234 90 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 90 Q C 1.438 177.436 176.000 -0.002 0.000 0.980 90 Q CA 0.840 56.638 55.803 -0.008 0.000 0.869 90 Q CB 0.085 28.817 28.738 -0.011 0.000 0.912 90 Q HN 0.282 nan 8.270 nan 0.000 0.436 91 L N 0.178 121.401 121.223 -0.001 0.000 2.607 91 L HA 0.115 4.455 4.340 -0.000 0.000 0.228 91 L C 0.713 177.591 176.870 0.013 0.000 1.123 91 L CA 0.498 55.342 54.840 0.007 0.000 0.890 91 L CB -0.353 41.712 42.059 0.010 0.000 1.103 91 L HN 0.281 nan 8.230 nan 0.000 0.468 92 Q N 0.290 120.096 119.800 0.010 0.000 2.435 92 Q HA -0.236 4.104 4.340 -0.000 0.000 0.312 92 Q C 0.152 176.166 176.000 0.023 0.000 1.333 92 Q CA 0.358 56.169 55.803 0.014 0.000 0.883 92 Q CB -0.779 27.967 28.738 0.012 0.000 1.170 92 Q HN 0.483 nan 8.270 nan 0.000 0.443 93 A N 0.873 123.710 122.820 0.028 0.000 2.546 93 A HA -0.001 4.319 4.320 -0.000 0.000 0.243 93 A C 0.867 178.482 177.584 0.052 0.000 1.063 93 A CA 0.632 52.697 52.037 0.046 0.000 0.757 93 A CB 0.404 19.437 19.000 0.055 0.000 0.991 93 A HN 0.705 nan 8.150 nan 0.000 0.503 94 E N 1.663 121.901 120.200 0.063 0.000 2.204 94 E HA 0.151 4.501 4.350 -0.000 0.000 0.195 94 E C 0.493 177.145 176.600 0.086 0.000 0.990 94 E CA 1.182 57.622 56.400 0.066 0.000 0.821 94 E CB -0.003 29.739 29.700 0.071 0.000 0.750 94 E HN 1.013 nan 8.360 nan 0.000 0.477 95 A N -0.898 121.995 122.820 0.121 0.000 2.549 95 A HA 0.457 4.777 4.320 -0.000 0.000 0.291 95 A C -1.644 176.068 177.584 0.213 0.000 1.034 95 A CA -0.622 51.502 52.037 0.145 0.000 0.655 95 A CB 1.442 20.559 19.000 0.195 0.000 1.299 95 A HN -0.012 nan 8.150 nan 0.000 0.427 96 V N 1.123 121.149 119.914 0.187 0.000 2.487 96 V HA 0.605 4.724 4.120 -0.000 0.000 0.298 96 V C -1.221 175.015 176.094 0.238 0.000 1.028 96 V CA -0.432 62.032 62.300 0.273 0.000 0.860 96 V CB 1.166 33.158 31.823 0.283 0.000 0.991 96 V HN 0.765 nan 8.190 nan 0.000 0.427 97 Y N 3.546 123.918 120.300 0.121 0.000 2.528 97 Y HA 0.849 5.399 4.550 -0.000 0.000 0.335 97 Y C -0.147 175.722 175.900 -0.053 0.000 1.093 97 Y CA -0.777 57.332 58.100 0.014 0.000 1.134 97 Y CB 2.074 40.673 38.460 0.231 0.000 1.253 97 Y HN 0.847 nan 8.280 nan 0.000 0.478 98 W N 0.424 121.646 121.300 -0.131 0.000 3.064 98 W HA 0.457 5.117 4.660 0.000 0.000 0.328 98 W C -2.405 173.989 176.519 -0.208 0.000 1.210 98 W CA -1.099 55.972 57.345 -0.456 0.000 1.178 98 W CB 0.405 29.588 29.460 -0.463 0.000 1.416 98 W HN 0.256 nan 8.180 nan 0.000 0.568 99 N N 2.461 121.252 118.700 0.152 0.000 2.479 99 N HA 0.204 4.944 4.740 -0.000 0.000 0.285 99 N C -0.376 175.137 175.510 0.003 0.000 1.075 99 N CA -0.628 52.464 53.050 0.070 0.000 0.967 99 N CB 1.379 39.958 38.487 0.154 0.000 1.137 99 N HN 0.534 nan 8.380 nan 0.000 0.472 100 Q N 0.483 120.096 119.800 -0.311 0.000 2.386 100 Q HA 0.011 4.351 4.340 -0.000 0.000 0.282 100 Q C -0.351 175.470 176.000 -0.298 0.000 1.050 100 Q CA 0.446 55.935 55.803 -0.524 0.000 0.918 100 Q CB 0.808 28.636 28.738 -1.516 0.000 1.266 100 Q HN 0.457 nan 8.270 nan 0.000 0.423 101 D N 0.404 120.718 120.400 -0.142 0.000 2.326 101 D HA 0.259 4.899 4.640 -0.000 0.000 0.251 101 D C 0.379 176.814 176.300 0.225 0.000 1.023 101 D CA -0.401 53.619 54.000 0.033 0.000 0.966 101 D CB 1.531 42.315 40.800 -0.026 0.000 1.156 101 D HN 0.388 nan 8.370 nan 0.000 0.494 102 I N -2.062 118.677 120.570 0.282 0.000 4.187 102 I HA 0.374 4.544 4.170 -0.000 0.000 0.326 102 I C 0.546 176.796 176.117 0.223 0.000 1.302 102 I CA -0.193 61.336 61.300 0.383 0.000 1.196 102 I CB -1.032 37.155 38.000 0.312 0.000 1.095 102 I HN 0.270 nan 8.210 nan 0.000 0.411 103 E N 2.054 122.343 120.200 0.147 0.000 2.331 103 E HA 0.279 4.629 4.350 -0.000 0.000 0.272 103 E C -1.734 174.918 176.600 0.088 0.000 1.036 103 E CA -1.646 54.821 56.400 0.111 0.000 0.864 103 E CB 0.979 30.745 29.700 0.111 0.000 1.035 103 E HN 0.099 nan 8.360 nan 0.000 0.408 104 P HA -0.251 nan 4.420 nan 0.000 0.215 104 P C 0.985 178.329 177.300 0.074 0.000 1.163 104 P CA 1.319 64.459 63.100 0.067 0.000 0.894 104 P CB -0.011 31.742 31.700 0.088 0.000 0.791 105 Y N 0.392 120.700 120.300 0.013 0.000 2.097 105 Y HA -0.154 4.396 4.550 -0.000 0.000 0.282 105 Y C 2.491 178.385 175.900 -0.011 0.000 1.152 105 Y CA 2.235 60.339 58.100 0.006 0.000 1.136 105 Y CB -1.183 37.283 38.460 0.010 0.000 0.975 105 Y HN -0.132 nan 8.280 nan 0.000 0.498 106 G N 0.010 108.783 108.800 -0.045 0.000 2.418 106 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.217 106 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.217 106 G C 1.768 176.557 174.900 -0.186 0.000 1.158 106 G CA 0.850 45.850 45.100 -0.166 0.000 0.771 106 G HN 0.367 nan 8.290 nan 0.000 0.545 107 R N 0.260 120.706 120.500 -0.089 0.000 2.075 107 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 107 R C 2.167 178.418 176.300 -0.082 0.000 1.126 107 R CA 1.301 57.368 56.100 -0.055 0.000 0.963 107 R CB -0.276 30.016 30.300 -0.013 0.000 0.858 107 R HN 0.240 nan 8.270 nan 0.000 0.435 108 D N 0.347 120.676 120.400 -0.119 0.000 2.097 108 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 108 D C 1.879 178.083 176.300 -0.159 0.000 0.989 108 D CA 1.000 54.930 54.000 -0.116 0.000 0.827 108 D CB -0.283 40.452 40.800 -0.109 0.000 0.966 108 D HN 0.163 nan 8.370 nan 0.000 0.456 109 R N 0.953 121.272 120.500 -0.302 0.000 2.080 109 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 109 R C 1.341 177.553 176.300 -0.147 0.000 1.137 109 R CA 1.790 57.715 56.100 -0.290 0.000 0.943 109 R CB -0.175 29.838 30.300 -0.477 0.000 0.846 109 R HN 0.014 nan 8.270 nan 0.000 0.431 110 D N -0.314 119.998 120.400 -0.146 0.000 2.123 110 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 110 D C 1.791 178.171 176.300 0.132 0.000 0.992 110 D CA 1.655 55.643 54.000 -0.019 0.000 0.833 110 D CB -0.712 40.125 40.800 0.062 0.000 0.954 110 D HN 0.551 nan 8.370 nan 0.000 0.455 111 G N 0.648 109.482 108.800 0.055 0.000 2.440 111 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 111 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 111 G C 1.561 176.487 174.900 0.043 0.000 1.154 111 G CA 0.609 45.741 45.100 0.055 0.000 0.767 111 G HN 0.181 nan 8.290 nan 0.000 0.552 112 Q N 0.134 119.935 119.800 0.002 0.000 2.084 112 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 112 Q C 3.000 178.994 176.000 -0.010 0.000 0.978 112 Q CA 1.019 56.810 55.803 -0.019 0.000 0.844 112 Q CB -0.766 27.943 28.738 -0.048 0.000 0.898 112 Q HN 0.424 nan 8.270 nan 0.000 0.426 113 V N 1.284 121.204 119.914 0.010 0.000 2.261 113 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 113 V C 2.440 178.615 176.094 0.135 0.000 1.047 113 V CA 1.781 64.090 62.300 0.015 0.000 1.015 113 V CB -1.201 30.591 31.823 -0.052 0.000 0.642 113 V HN 0.327 nan 8.190 nan 0.000 0.446 114 A N 0.159 123.147 122.820 0.280 0.000 1.892 114 A HA -0.210 4.109 4.320 -0.000 0.000 0.218 114 A C 2.435 180.067 177.584 0.080 0.000 1.188 114 A CA 2.496 54.671 52.037 0.229 0.000 0.631 114 A CB -0.951 18.163 19.000 0.190 0.000 0.822 114 A HN 0.603 nan 8.150 nan 0.000 0.447 115 A N -0.326 122.522 122.820 0.048 0.000 1.902 115 A HA 0.144 4.463 4.320 -0.000 0.000 0.217 115 A C 2.520 180.099 177.584 -0.008 0.000 1.181 115 A CA 2.217 54.260 52.037 0.009 0.000 0.623 115 A CB -1.046 17.953 19.000 -0.002 0.000 0.818 115 A HN 1.133 nan 8.150 nan 0.000 0.443 116 A N -0.248 122.561 122.820 -0.018 0.000 1.902 116 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 116 A C 2.172 179.739 177.584 -0.029 0.000 1.181 116 A CA 1.533 53.540 52.037 -0.049 0.000 0.623 116 A CB -0.602 18.342 19.000 -0.092 0.000 0.818 116 A HN 0.481 nan 8.150 nan 0.000 0.443 117 L N -0.812 120.413 121.223 0.003 0.000 2.056 117 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 117 L C 2.620 179.489 176.870 -0.001 0.000 1.078 117 L CA 1.859 56.706 54.840 0.011 0.000 0.749 117 L CB -0.415 41.677 42.059 0.055 0.000 0.901 117 L HN 0.446 nan 8.230 nan 0.000 0.433 118 K N -0.261 120.137 120.400 -0.003 0.000 2.097 118 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 118 K C 1.996 178.588 176.600 -0.015 0.000 1.049 118 K CA 1.693 57.972 56.287 -0.013 0.000 0.933 118 K CB -0.003 32.488 32.500 -0.016 0.000 0.717 118 K HN 0.179 nan 8.250 nan 0.000 0.442 119 T N 0.361 114.905 114.554 -0.017 0.000 2.788 119 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 119 T C 1.572 176.261 174.700 -0.018 0.000 1.044 119 T CA 1.287 63.375 62.100 -0.019 0.000 1.139 119 T CB -0.138 68.715 68.868 -0.026 0.000 0.867 119 T HN 0.376 nan 8.240 nan 0.000 0.454 120 A N 0.286 123.095 122.820 -0.018 0.000 2.238 120 A HA 0.498 4.818 4.320 -0.000 0.000 0.208 120 A C 1.834 179.412 177.584 -0.010 0.000 1.177 120 A CA 0.751 52.779 52.037 -0.016 0.000 0.804 120 A CB -0.826 18.163 19.000 -0.019 0.000 0.823 120 A HN 0.695 nan 8.150 nan 0.000 0.482 121 G N -1.523 107.271 108.800 -0.010 0.000 2.160 121 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.251 121 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.251 121 G C 0.067 174.964 174.900 -0.005 0.000 1.008 121 G CA 0.369 45.464 45.100 -0.008 0.000 0.724 121 G HN 0.740 nan 8.290 nan 0.000 0.514 122 I N 0.699 121.267 120.570 -0.004 0.000 2.354 122 I HA 0.486 4.656 4.170 -0.000 0.000 0.292 122 I C 1.077 177.189 176.117 -0.008 0.000 0.989 122 I CA -1.381 59.921 61.300 0.003 0.000 1.188 122 I CB 1.181 39.189 38.000 0.013 0.000 1.342 122 I HN 0.341 nan 8.210 nan 0.000 0.457 123 R N 3.113 123.604 120.500 -0.015 0.000 2.489 123 R HA 0.578 4.917 4.340 -0.000 0.000 0.287 123 R C 0.094 176.332 176.300 -0.104 0.000 1.053 123 R CA -0.048 56.016 56.100 -0.060 0.000 1.036 123 R CB 0.547 30.814 30.300 -0.055 0.000 0.966 123 R HN 0.874 nan 8.270 nan 0.000 0.432 124 A N 3.241 125.948 122.820 -0.188 0.000 2.304 124 A HA 0.479 4.799 4.320 -0.000 0.000 0.314 124 A C -0.692 176.552 177.584 -0.567 0.000 1.187 124 A CA -0.689 51.147 52.037 -0.335 0.000 0.810 124 A CB 1.307 20.164 19.000 -0.239 0.000 1.183 124 A HN 0.454 nan 8.150 nan 0.000 0.487 125 V N 3.485 122.902 119.914 -0.828 0.000 2.378 125 V HA 0.368 4.488 4.120 -0.000 0.000 0.288 125 V C -0.350 175.162 176.094 -0.971 0.000 1.016 125 V CA -0.326 61.429 62.300 -0.908 0.000 0.840 125 V CB 1.217 32.218 31.823 -1.370 0.000 0.994 125 V HN 0.941 nan 8.190 nan 0.000 0.431 126 Q N 5.598 124.900 119.800 -0.831 0.000 2.381 126 Q HA 0.672 5.012 4.340 -0.000 0.000 0.263 126 Q C -1.190 174.498 176.000 -0.520 0.000 1.030 126 Q CA -0.319 54.971 55.803 -0.855 0.000 0.772 126 Q CB 2.274 30.510 28.738 -0.836 0.000 1.232 126 Q HN 0.634 nan 8.270 nan 0.000 0.476 127 L N 0.762 121.764 121.223 -0.368 0.000 2.322 127 L HA 0.568 4.907 4.340 -0.000 0.000 0.269 127 L C -0.653 176.081 176.870 -0.226 0.000 1.012 127 L CA -1.074 53.633 54.840 -0.222 0.000 0.815 127 L CB 1.371 43.415 42.059 -0.026 0.000 1.295 127 L HN 0.534 nan 8.230 nan 0.000 0.438 128 W N 0.801 122.097 121.300 -0.006 0.000 2.287 128 W HA 0.222 4.882 4.660 -0.000 0.000 0.313 128 W C 0.543 177.078 176.519 0.027 0.000 1.267 128 W CA 0.147 57.492 57.345 -0.000 0.000 1.201 128 W CB 1.186 30.623 29.460 -0.038 0.000 1.196 128 W HN 0.621 nan 8.180 nan 0.000 0.536 129 D N -0.032 120.565 120.400 0.329 0.000 2.212 129 D HA -0.148 4.491 4.640 -0.000 0.000 0.311 129 D C 1.763 178.189 176.300 0.211 0.000 1.091 129 D CA 0.208 54.343 54.000 0.225 0.000 0.910 129 D CB 0.225 41.141 40.800 0.194 0.000 1.707 129 D HN 0.518 nan 8.370 nan 0.000 0.522 130 Q N 0.418 120.368 119.800 0.250 0.000 2.482 130 Q HA 0.131 4.471 4.340 -0.000 0.000 0.209 130 Q C -0.125 175.987 176.000 0.187 0.000 0.961 130 Q CA 0.464 56.391 55.803 0.206 0.000 0.945 130 Q CB 0.318 29.176 28.738 0.201 0.000 1.012 130 Q HN 0.279 nan 8.270 nan 0.000 0.515 131 L N 0.817 122.149 121.223 0.182 0.000 2.362 131 L HA 0.305 4.645 4.340 -0.000 0.000 0.271 131 L C 0.722 177.610 176.870 0.030 0.000 1.002 131 L CA -0.731 54.194 54.840 0.141 0.000 0.818 131 L CB 1.858 43.996 42.059 0.131 0.000 1.298 131 L HN 0.066 nan 8.230 nan 0.000 0.420 132 L N 1.595 122.795 121.223 -0.038 0.000 2.083 132 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 132 L C 0.238 176.681 176.870 -0.710 0.000 1.083 132 L CA 1.035 55.622 54.840 -0.421 0.000 0.752 132 L CB -0.280 41.389 42.059 -0.651 0.000 0.899 132 L HN 0.549 nan 8.230 nan 0.000 0.433 133 H N -1.140 117.882 119.070 -0.080 0.000 2.689 133 H HA 0.272 4.828 4.556 -0.000 0.000 0.346 133 H C -0.259 175.026 175.328 -0.071 0.000 1.037 133 H CA -0.859 55.109 56.048 -0.133 0.000 1.234 133 H CB 1.642 31.257 29.762 -0.244 0.000 1.572 133 H HN -0.009 nan 8.280 nan 0.000 0.524 134 S N 2.647 118.183 115.700 -0.273 0.000 2.593 134 S HA 0.105 4.574 4.470 -0.000 0.000 0.269 134 S C -1.743 172.334 174.600 -0.872 0.000 1.334 134 S CA -0.965 56.688 58.200 -0.912 0.000 1.015 134 S CB 1.507 63.911 63.200 -1.325 0.000 0.912 134 S HN 0.304 nan 8.310 nan 0.000 0.541 135 P HA -0.067 nan 4.420 nan 0.000 0.218 135 P C 0.551 177.605 177.300 -0.409 0.000 1.148 135 P CA 1.121 63.434 63.100 -1.312 0.000 0.822 135 P CB -0.025 30.592 31.700 -1.805 0.000 0.784 136 D N -1.412 118.740 120.400 -0.414 0.000 2.347 136 D HA -0.097 4.543 4.640 -0.000 0.000 0.215 136 D C 1.862 178.115 176.300 -0.079 0.000 0.976 136 D CA 0.683 54.618 54.000 -0.108 0.000 0.884 136 D CB -0.179 40.585 40.800 -0.060 0.000 0.915 136 D HN 0.313 nan 8.370 nan 0.000 0.526 137 Q N 0.090 119.815 119.800 -0.125 0.000 2.302 137 Q HA 0.025 4.365 4.340 -0.000 0.000 0.202 137 Q C 0.129 176.093 176.000 -0.060 0.000 0.936 137 Q CA 0.428 56.178 55.803 -0.088 0.000 0.886 137 Q CB 0.682 29.360 28.738 -0.100 0.000 0.986 137 Q HN 0.060 nan 8.270 nan 0.000 0.487 138 I N 2.286 122.878 120.570 0.037 0.000 2.310 138 I HA 0.380 4.550 4.170 -0.000 0.000 0.287 138 I C -0.326 175.906 176.117 0.191 0.000 1.073 138 I CA -0.146 61.209 61.300 0.092 0.000 1.216 138 I CB 0.238 38.321 38.000 0.139 0.000 1.415 138 I HN 0.152 nan 8.210 nan 0.000 0.480 139 L N 3.256 124.529 121.223 0.083 0.000 2.359 139 L HA 0.646 4.986 4.340 -0.000 0.000 0.256 139 L C 0.690 177.485 176.870 -0.124 0.000 1.026 139 L CA -0.696 54.101 54.840 -0.072 0.000 0.828 139 L CB 2.603 44.604 42.059 -0.096 0.000 1.406 139 L HN 0.629 nan 8.230 nan 0.000 0.413 140 S N -0.477 114.991 115.700 -0.386 0.000 2.641 140 S HA 0.198 4.668 4.470 -0.000 0.000 0.261 140 S C 1.191 175.726 174.600 -0.109 0.000 1.257 140 S CA -0.000 58.036 58.200 -0.272 0.000 0.983 140 S CB 1.032 63.997 63.200 -0.391 0.000 0.990 140 S HN 0.826 nan 8.310 nan 0.000 0.572 141 G N -0.040 108.727 108.800 -0.055 0.000 2.501 141 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.220 141 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.220 141 G C 0.996 175.869 174.900 -0.046 0.000 1.114 141 G CA 0.637 45.715 45.100 -0.038 0.000 0.757 141 G HN 0.690 nan 8.290 nan 0.000 0.559 142 S N -0.268 115.394 115.700 -0.064 0.000 2.577 142 S HA 0.374 4.844 4.470 -0.000 0.000 0.219 142 S C 1.632 176.193 174.600 -0.066 0.000 0.962 142 S CA 0.460 58.627 58.200 -0.054 0.000 0.921 142 S CB 0.302 63.473 63.200 -0.048 0.000 0.789 142 S HN 1.124 nan 8.310 nan 0.000 0.497 143 G N 2.493 111.241 108.800 -0.087 0.000 2.176 143 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.252 143 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.252 143 G C -0.331 174.498 174.900 -0.119 0.000 1.024 143 G CA -0.291 44.757 45.100 -0.087 0.000 0.755 143 G HN 0.453 nan 8.290 nan 0.000 0.507 144 N N 0.500 119.094 118.700 -0.177 0.000 2.362 144 N HA 0.606 5.346 4.740 -0.000 0.000 0.299 144 N C -2.428 172.872 175.510 -0.350 0.000 1.170 144 N CA -1.447 51.480 53.050 -0.205 0.000 0.825 144 N CB 2.409 40.822 38.487 -0.123 0.000 1.299 144 N HN 0.123 nan 8.380 nan 0.000 0.502 145 P HA 0.163 nan 4.420 nan 0.000 0.274 145 P C -0.990 176.229 177.300 -0.135 0.000 1.256 145 P CA 0.088 62.936 63.100 -0.420 0.000 0.795 145 P CB 0.548 31.721 31.700 -0.878 0.000 1.038 146 Y N -0.417 120.023 120.300 0.234 0.000 2.342 146 Y HA 0.233 4.783 4.550 -0.000 0.000 0.334 146 Y C 1.626 177.772 175.900 0.410 0.000 1.067 146 Y CA 0.227 58.536 58.100 0.348 0.000 1.128 146 Y CB 1.449 40.203 38.460 0.490 0.000 1.200 146 Y HN 0.340 nan 8.280 nan 0.000 0.464 147 S N -0.388 115.628 115.700 0.526 0.000 2.603 147 S HA 0.348 4.818 4.470 -0.000 0.000 0.232 147 S C -0.460 174.436 174.600 0.492 0.000 1.016 147 S CA -0.262 58.191 58.200 0.422 0.000 0.976 147 S CB -0.179 63.158 63.200 0.229 0.000 0.921 147 S HN 0.235 nan 8.310 nan 0.000 0.516 148 V N 2.417 122.631 119.914 0.499 0.000 2.540 148 V HA 0.406 4.526 4.120 -0.000 0.000 0.302 148 V C 0.541 176.664 176.094 0.048 0.000 1.035 148 V CA -0.919 61.560 62.300 0.299 0.000 0.873 148 V CB 1.252 33.205 31.823 0.218 0.000 0.992 148 V HN 0.330 nan 8.190 nan 0.000 0.428 149 Y N 4.564 124.538 120.300 -0.543 0.000 2.070 149 Y HA -0.092 4.458 4.550 -0.000 0.000 0.279 149 Y C 2.150 177.736 175.900 -0.523 0.000 1.134 149 Y CA 2.489 59.886 58.100 -1.171 0.000 1.113 149 Y CB -0.702 36.862 38.460 -1.493 0.000 0.981 149 Y HN 0.742 nan 8.280 nan 0.000 0.487 150 G N 0.559 109.177 108.800 -0.303 0.000 2.783 150 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.225 150 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.225 150 G C -0.483 174.263 174.900 -0.257 0.000 1.191 150 G CA 1.604 46.584 45.100 -0.200 0.000 0.774 150 G HN 0.410 nan 8.290 nan 0.000 0.632 151 P HA -0.048 nan 4.420 nan 0.000 0.217 151 P C 1.624 178.511 177.300 -0.688 0.000 1.150 151 P CA 0.832 63.792 63.100 -0.232 0.000 0.832 151 P CB -0.138 31.601 31.700 0.066 0.000 0.787 152 F N -0.598 118.762 119.950 -0.984 0.000 2.102 152 F HA -0.153 4.374 4.527 0.000 0.000 0.298 152 F C 2.239 177.586 175.800 -0.756 0.000 1.105 152 F CA 1.275 58.583 58.000 -1.153 0.000 1.239 152 F CB -0.871 37.774 39.000 -0.591 0.000 0.991 152 F HN -0.020 nan 8.300 nan 0.000 0.474 153 W N 2.292 123.108 121.300 -0.807 0.000 2.358 153 W HA -0.259 4.401 4.660 0.000 0.000 0.303 153 W C 2.243 178.510 176.519 -0.418 0.000 1.208 153 W CA 1.879 58.801 57.345 -0.706 0.000 1.274 153 W CB -0.575 28.273 29.460 -1.021 0.000 1.138 153 W HN 0.140 nan 8.180 nan 0.000 0.515 154 K N 0.705 120.731 120.400 -0.625 0.000 2.103 154 K HA -0.280 4.040 4.320 -0.000 0.000 0.207 154 K C 2.037 178.308 176.600 -0.547 0.000 1.048 154 K CA 1.832 57.774 56.287 -0.574 0.000 0.930 154 K CB -0.582 31.736 32.500 -0.302 0.000 0.716 154 K HN 0.053 nan 8.250 nan 0.000 0.444 155 N N 0.339 118.710 118.700 -0.548 0.000 2.083 155 N HA -0.188 4.551 4.740 -0.000 0.000 0.190 155 N C 1.672 176.858 175.510 -0.539 0.000 1.047 155 N CA 1.511 54.279 53.050 -0.470 0.000 0.845 155 N CB -0.667 37.556 38.487 -0.439 0.000 1.025 155 N HN 0.356 nan 8.380 nan 0.000 0.428 156 W N 2.243 123.011 121.300 -0.886 0.000 2.304 156 W HA -0.218 4.442 4.660 0.000 0.000 0.315 156 W C 2.612 178.706 176.519 -0.708 0.000 1.233 156 W CA 2.236 59.081 57.345 -0.834 0.000 1.261 156 W CB -0.465 28.501 29.460 -0.822 0.000 1.150 156 W HN 0.240 nan 8.180 nan 0.000 0.494 157 Q N 0.378 119.856 119.800 -0.536 0.000 2.096 157 Q HA -0.199 4.140 4.340 -0.000 0.000 0.204 157 Q C 2.072 177.788 176.000 -0.474 0.000 0.982 157 Q CA 2.194 57.598 55.803 -0.666 0.000 0.850 157 Q CB -0.801 27.133 28.738 -1.341 0.000 0.901 157 Q HN 0.362 nan 8.270 nan 0.000 0.422 158 A N 0.648 123.190 122.820 -0.464 0.000 2.167 158 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 158 A C 0.793 178.169 177.584 -0.346 0.000 1.151 158 A CA 0.072 51.907 52.037 -0.338 0.000 0.735 158 A CB 0.001 18.828 19.000 -0.288 0.000 0.802 158 A HN 0.288 nan 8.150 nan 0.000 0.467 159 Q N 1.168 120.667 119.800 -0.502 0.000 2.332 159 Q HA 0.218 4.558 4.340 -0.000 0.000 0.263 159 Q C -2.450 173.338 176.000 -0.354 0.000 0.979 159 Q CA -1.963 53.521 55.803 -0.531 0.000 0.885 159 Q CB 0.337 28.447 28.738 -1.047 0.000 1.218 159 Q HN 0.300 nan 8.270 nan 0.000 0.405 160 P HA 0.012 nan 4.420 nan 0.000 0.267 160 P C -0.447 176.773 177.300 -0.133 0.000 1.205 160 P CA 0.084 63.101 63.100 -0.139 0.000 0.765 160 P CB 0.635 32.275 31.700 -0.101 0.000 0.828 161 K N 4.751 125.035 120.400 -0.193 0.000 2.234 161 K HA 0.322 4.642 4.320 -0.000 0.000 0.282 161 K C -1.627 174.840 176.600 -0.221 0.000 1.039 161 K CA -1.553 54.517 56.287 -0.361 0.000 0.928 161 K CB 0.254 32.457 32.500 -0.496 0.000 1.039 161 K HN 0.466 nan 8.250 nan 0.000 0.470 162 P HA 0.121 nan 4.420 nan 0.000 0.277 162 P C -0.361 176.905 177.300 -0.057 0.000 1.240 162 P CA -0.291 62.725 63.100 -0.139 0.000 0.798 162 P CB 0.677 32.280 31.700 -0.162 0.000 0.979 163 T N -1.667 112.885 114.554 -0.004 0.000 2.948 163 T HA 0.534 4.884 4.350 -0.000 0.000 0.285 163 T C -2.654 172.069 174.700 0.039 0.000 1.019 163 T CA -2.456 59.670 62.100 0.043 0.000 1.013 163 T CB 0.388 69.283 68.868 0.046 0.000 1.117 163 T HN 0.156 nan 8.240 nan 0.000 0.533 164 P HA 0.253 nan 4.420 nan 0.000 0.266 164 P C -0.079 177.239 177.300 0.030 0.000 1.195 164 P CA -0.532 62.598 63.100 0.050 0.000 0.768 164 P CB 0.306 32.041 31.700 0.059 0.000 0.838 165 V N -0.014 119.913 119.914 0.022 0.000 3.109 165 V HA 0.795 4.914 4.120 -0.000 0.000 0.317 165 V C 0.215 176.308 176.094 -0.003 0.000 1.074 165 V CA -1.320 60.984 62.300 0.007 0.000 1.033 165 V CB 0.688 32.512 31.823 0.002 0.000 1.111 165 V HN 0.598 nan 8.190 nan 0.000 0.458 166 A N 0.906 123.718 122.820 -0.014 0.000 2.407 166 A HA 0.536 4.856 4.320 -0.000 0.000 0.248 166 A C 0.566 178.125 177.584 -0.041 0.000 1.082 166 A CA -0.051 51.973 52.037 -0.023 0.000 0.785 166 A CB -0.329 18.657 19.000 -0.024 0.000 1.020 166 A HN 1.000 nan 8.150 nan 0.000 0.489 167 T N 4.800 119.329 114.554 -0.043 0.000 2.794 167 T HA 0.431 4.781 4.350 -0.000 0.000 0.296 167 T C -2.147 172.508 174.700 -0.076 0.000 0.949 167 T CA -0.430 61.631 62.100 -0.064 0.000 1.101 167 T CB 0.491 69.325 68.868 -0.056 0.000 0.905 167 T HN 0.603 nan 8.240 nan 0.000 0.516 168 P HA 0.228 nan 4.420 nan 0.000 0.271 168 P C -0.413 176.834 177.300 -0.088 0.000 1.216 168 P CA -0.284 62.757 63.100 -0.098 0.000 0.776 168 P CB 0.642 32.267 31.700 -0.125 0.000 0.881 169 T N -2.417 112.102 114.554 -0.060 0.000 2.865 169 T HA 0.340 4.690 4.350 -0.000 0.000 0.294 169 T C -0.351 174.332 174.700 -0.028 0.000 1.119 169 T CA -0.919 61.153 62.100 -0.046 0.000 1.007 169 T CB 1.018 69.864 68.868 -0.037 0.000 1.225 169 T HN 0.454 nan 8.240 nan 0.000 0.515 170 E N 0.678 120.868 120.200 -0.018 0.000 2.252 170 E HA -0.146 4.204 4.350 -0.000 0.000 0.218 170 E C -0.358 176.244 176.600 0.003 0.000 1.253 170 E CA 0.082 56.479 56.400 -0.005 0.000 0.705 170 E CB -1.613 28.084 29.700 -0.006 0.000 1.172 170 E HN 0.515 nan 8.360 nan 0.000 0.369 171 L N -0.035 121.196 121.223 0.012 0.000 2.439 171 L HA 0.392 4.732 4.340 -0.000 0.000 0.261 171 L C 0.766 177.660 176.870 0.041 0.000 1.153 171 L CA -0.746 54.115 54.840 0.034 0.000 0.808 171 L CB 0.717 42.814 42.059 0.064 0.000 1.126 171 L HN -0.094 nan 8.230 nan 0.000 0.460 172 V N 0.560 120.502 119.914 0.046 0.000 2.398 172 V HA 0.200 4.320 4.120 -0.000 0.000 0.286 172 V C -0.114 176.013 176.094 0.053 0.000 1.026 172 V CA -0.594 61.731 62.300 0.041 0.000 0.868 172 V CB 1.541 33.383 31.823 0.032 0.000 0.982 172 V HN 0.655 nan 8.190 nan 0.000 0.443 173 D N 2.886 123.315 120.400 0.049 0.000 2.383 173 D HA 0.381 5.021 4.640 -0.000 0.000 0.248 173 D C 0.022 176.346 176.300 0.039 0.000 1.170 173 D CA -0.191 53.840 54.000 0.051 0.000 0.977 173 D CB 1.030 41.858 40.800 0.046 0.000 1.120 173 D HN 0.356 nan 8.370 nan 0.000 0.481 174 L N 0.854 122.098 121.223 0.035 0.000 2.464 174 L HA 0.187 4.527 4.340 -0.000 0.000 0.264 174 L C 0.957 177.840 176.870 0.022 0.000 1.199 174 L CA -0.374 54.482 54.840 0.027 0.000 0.818 174 L CB 0.857 42.929 42.059 0.022 0.000 1.102 174 L HN 0.439 nan 8.230 nan 0.000 0.473 175 S N 0.802 116.513 115.700 0.018 0.000 2.693 175 S HA 0.397 4.867 4.470 -0.000 0.000 0.276 175 S C -2.052 172.556 174.600 0.013 0.000 1.192 175 S CA -1.286 56.923 58.200 0.015 0.000 0.994 175 S CB 1.515 64.723 63.200 0.014 0.000 1.012 175 S HN 0.356 nan 8.310 nan 0.000 0.550 176 P HA -0.087 nan 4.420 nan 0.000 0.215 176 P C 1.187 178.492 177.300 0.008 0.000 1.153 176 P CA 1.304 64.409 63.100 0.009 0.000 0.853 176 P CB 0.015 31.720 31.700 0.008 0.000 0.788 177 E N -0.533 119.672 120.200 0.008 0.000 2.110 177 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 177 E C 2.150 178.754 176.600 0.007 0.000 0.988 177 E CA 1.010 57.415 56.400 0.007 0.000 0.804 177 E CB -0.306 29.399 29.700 0.007 0.000 0.745 177 E HN 0.437 nan 8.360 nan 0.000 0.458 178 Q N 0.406 120.211 119.800 0.009 0.000 2.046 178 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 178 Q C 2.401 178.405 176.000 0.006 0.000 0.975 178 Q CA 0.907 56.715 55.803 0.009 0.000 0.836 178 Q CB -0.065 28.681 28.738 0.012 0.000 0.896 178 Q HN 0.285 nan 8.270 nan 0.000 0.428 179 L N 0.159 121.386 121.223 0.007 0.000 2.127 179 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 179 L C 2.332 179.204 176.870 0.003 0.000 1.089 179 L CA 1.139 55.982 54.840 0.005 0.000 0.757 179 L CB -0.617 41.447 42.059 0.007 0.000 0.899 179 L HN 0.269 nan 8.230 nan 0.000 0.434 180 T N -0.241 114.315 114.554 0.004 0.000 2.821 180 T HA -0.092 4.257 4.350 -0.000 0.000 0.267 180 T C 2.009 176.710 174.700 0.001 0.000 1.046 180 T CA 1.151 63.252 62.100 0.003 0.000 1.139 180 T CB -0.149 68.721 68.868 0.003 0.000 0.871 180 T HN 0.444 nan 8.240 nan 0.000 0.454 181 A N 1.361 124.181 122.820 0.001 0.000 2.019 181 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 181 A C 2.421 180.002 177.584 -0.003 0.000 1.164 181 A CA 1.561 53.597 52.037 -0.000 0.000 0.644 181 A CB -0.746 18.255 19.000 0.001 0.000 0.805 181 A HN 0.600 nan 8.150 nan 0.000 0.449 182 I N -4.684 115.883 120.570 -0.004 0.000 4.057 182 I HA 0.593 4.763 4.170 -0.000 0.000 0.334 182 I C 2.144 178.257 176.117 -0.008 0.000 1.308 182 I CA 0.105 61.400 61.300 -0.008 0.000 1.125 182 I CB -1.294 36.700 38.000 -0.011 0.000 1.034 182 I HN 0.460 nan 8.210 nan 0.000 0.401 183 A N 2.040 124.857 122.820 -0.004 0.000 1.923 183 A HA -0.211 4.109 4.320 -0.000 0.000 0.222 183 A C 0.703 178.285 177.584 -0.004 0.000 1.258 183 A CA 2.849 54.884 52.037 -0.002 0.000 0.670 183 A CB -2.421 16.579 19.000 -0.000 0.000 0.834 183 A HN 0.584 nan 8.150 nan 0.000 0.470 184 P HA -0.083 nan 4.420 nan 0.000 0.221 184 P C 1.005 178.300 177.300 -0.008 0.000 1.145 184 P CA 0.887 63.984 63.100 -0.005 0.000 0.795 184 P CB -0.089 31.608 31.700 -0.005 0.000 0.775 185 L N -2.632 118.584 121.223 -0.012 0.000 2.529 185 L HA 0.122 4.462 4.340 -0.000 0.000 0.223 185 L C 0.913 177.773 176.870 -0.016 0.000 1.113 185 L CA 0.023 54.852 54.840 -0.019 0.000 0.861 185 L CB -0.225 41.816 42.059 -0.030 0.000 1.012 185 L HN -0.081 nan 8.230 nan 0.000 0.461 186 L N 0.208 121.426 121.223 -0.009 0.000 2.344 186 L HA 0.394 4.734 4.340 -0.000 0.000 0.272 186 L C -0.289 176.585 176.870 0.006 0.000 1.035 186 L CA -0.664 54.175 54.840 -0.002 0.000 0.807 186 L CB 1.577 43.635 42.059 -0.001 0.000 1.237 186 L HN -0.067 nan 8.230 nan 0.000 0.442 187 L N 0.979 122.211 121.223 0.015 0.000 2.350 187 L HA 0.176 4.516 4.340 -0.000 0.000 0.275 187 L C 1.369 178.249 176.870 0.015 0.000 1.099 187 L CA -0.182 54.669 54.840 0.020 0.000 0.808 187 L CB 1.886 43.965 42.059 0.033 0.000 1.149 187 L HN 0.855 nan 8.230 nan 0.000 0.442 188 S N 1.090 116.798 115.700 0.013 0.000 2.447 188 S HA -0.052 4.418 4.470 -0.000 0.000 0.233 188 S C 0.308 174.914 174.600 0.010 0.000 1.006 188 S CA 0.409 58.616 58.200 0.011 0.000 0.957 188 S CB -0.249 62.957 63.200 0.010 0.000 0.773 188 S HN 0.793 nan 8.310 nan 0.000 0.507 189 E N -0.617 119.591 120.200 0.013 0.000 2.429 189 E HA 0.499 4.849 4.350 -0.000 0.000 0.280 189 E C -1.481 175.126 176.600 0.011 0.000 1.068 189 E CA -1.207 55.199 56.400 0.009 0.000 0.837 189 E CB 0.349 30.053 29.700 0.008 0.000 1.357 189 E HN 0.049 nan 8.360 nan 0.000 0.455 190 L N 2.049 123.272 121.223 0.000 0.000 2.477 190 L HA 0.330 4.670 4.340 -0.000 0.000 0.272 190 L C -2.397 174.474 176.870 0.001 0.000 1.157 190 L CA -1.050 53.785 54.840 -0.008 0.000 0.889 190 L CB -0.093 41.943 42.059 -0.038 0.000 1.158 190 L HN 0.431 nan 8.230 nan 0.000 0.473 191 P HA 0.215 nan 4.420 nan 0.000 0.271 191 P C -0.784 176.531 177.300 0.026 0.000 1.218 191 P CA -0.370 62.748 63.100 0.030 0.000 0.780 191 P CB 0.397 32.128 31.700 0.052 0.000 0.901 192 T N -0.294 114.281 114.554 0.037 0.000 2.849 192 T HA 0.122 4.472 4.350 -0.000 0.000 0.284 192 T C 1.112 175.858 174.700 0.077 0.000 1.004 192 T CA -0.663 61.462 62.100 0.042 0.000 1.021 192 T CB 0.354 69.248 68.868 0.044 0.000 1.013 192 T HN 0.161 nan 8.240 nan 0.000 0.527 193 L N 1.271 122.549 121.223 0.091 0.000 2.013 193 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 193 L C 2.757 179.746 176.870 0.198 0.000 1.073 193 L CA 2.175 57.107 54.840 0.154 0.000 0.753 193 L CB -0.928 41.230 42.059 0.165 0.000 0.890 193 L HN 0.932 nan 8.230 nan 0.000 0.432 194 K N -1.397 119.085 120.400 0.137 0.000 2.057 194 K HA -0.277 4.043 4.320 -0.000 0.000 0.207 194 K C 2.113 178.764 176.600 0.085 0.000 1.049 194 K CA 1.687 58.039 56.287 0.108 0.000 0.931 194 K CB -0.640 31.905 32.500 0.075 0.000 0.714 194 K HN 0.317 nan 8.250 nan 0.000 0.440 195 Q N 1.452 121.300 119.800 0.080 0.000 2.170 195 Q HA 0.011 4.350 4.340 -0.000 0.000 0.203 195 Q C 1.934 177.980 176.000 0.078 0.000 0.976 195 Q CA 1.286 57.126 55.803 0.063 0.000 0.858 195 Q CB -0.171 28.600 28.738 0.054 0.000 0.907 195 Q HN 0.487 nan 8.270 nan 0.000 0.433 196 L N -1.519 119.787 121.223 0.138 0.000 2.478 196 L HA 0.144 4.484 4.340 -0.000 0.000 0.223 196 L C 1.131 178.061 176.870 0.100 0.000 1.140 196 L CA 0.559 55.522 54.840 0.204 0.000 0.842 196 L CB -0.222 42.059 42.059 0.370 0.000 0.953 196 L HN 0.508 nan 8.230 nan 0.000 0.452 197 G N -0.540 108.271 108.800 0.018 0.000 2.130 197 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 197 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 197 G C -0.137 174.537 174.900 -0.376 0.000 0.999 197 G CA -0.477 44.509 45.100 -0.189 0.000 0.686 197 G HN 0.163 nan 8.290 nan 0.000 0.515 198 F N 0.906 120.889 119.950 0.055 0.000 2.598 198 F HA 0.688 5.215 4.527 -0.000 0.000 0.327 198 F C 0.068 175.927 175.800 0.098 0.000 1.057 198 F CA -0.471 57.573 58.000 0.073 0.000 0.957 198 F CB 1.852 40.896 39.000 0.072 0.000 1.278 198 F HN 0.192 nan 8.300 nan 0.000 0.484 199 D N 0.356 120.964 120.400 0.346 0.000 2.964 199 D HA 0.178 4.818 4.640 -0.000 0.000 0.234 199 D C -1.871 174.655 176.300 0.377 0.000 1.223 199 D CA -0.402 53.759 54.000 0.269 0.000 0.889 199 D CB 2.259 43.156 40.800 0.162 0.000 1.609 199 D HN 0.723 nan 8.370 nan 0.000 0.523 200 W N 2.981 124.330 121.300 0.082 0.000 3.439 200 W HA 0.298 4.958 4.660 -0.000 0.000 0.323 200 W C -1.758 174.757 176.519 -0.007 0.000 1.174 200 W CA -0.606 56.760 57.345 0.035 0.000 1.224 200 W CB 2.208 31.690 29.460 0.035 0.000 1.348 200 W HN 0.526 nan 8.180 nan 0.000 0.498 201 D N 2.083 121.966 120.400 -0.861 0.000 2.602 201 D HA 0.194 4.834 4.640 -0.000 0.000 0.265 201 D C 1.398 177.121 176.300 -0.961 0.000 1.454 201 D CA 0.537 54.127 54.000 -0.684 0.000 0.795 201 D CB 0.329 40.928 40.800 -0.334 0.000 1.140 201 D HN 0.446 nan 8.370 nan 0.000 0.486 202 G N -0.382 107.262 108.800 -1.927 0.000 2.985 202 G HA2 0.468 4.428 3.960 -0.000 0.000 0.209 202 G HA3 0.468 4.428 3.960 -0.000 0.000 0.209 202 G C 0.995 175.554 174.900 -0.569 0.000 1.165 202 G CA 0.262 44.601 45.100 -1.269 0.000 0.776 202 G HN 0.585 nan 8.290 nan 0.000 0.541 203 G N -0.791 107.643 108.800 -0.610 0.000 2.681 203 G HA2 0.048 4.008 3.960 -0.000 0.000 0.220 203 G HA3 0.048 4.008 3.960 -0.000 0.000 0.220 203 G C -0.595 174.018 174.900 -0.479 0.000 1.353 203 G CA -0.483 44.397 45.100 -0.366 0.000 0.872 203 G HN 0.566 nan 8.290 nan 0.000 0.557 204 F N -1.461 118.648 119.950 0.265 0.000 2.662 204 F HA 0.606 5.133 4.527 -0.000 0.000 0.312 204 F C -1.652 174.176 175.800 0.046 0.000 1.113 204 F CA -1.293 56.832 58.000 0.209 0.000 0.951 204 F CB 1.511 40.661 39.000 0.250 0.000 1.344 204 F HN 0.306 nan 8.300 nan 0.000 0.462 205 P HA 0.026 nan 4.420 nan 0.000 0.222 205 P C -0.679 176.573 177.300 -0.081 0.000 1.153 205 P CA 0.843 63.804 63.100 -0.232 0.000 0.798 205 P CB 0.699 32.011 31.700 -0.647 0.000 0.796 206 V N -0.450 119.508 119.914 0.074 0.000 2.817 206 V HA 0.203 4.323 4.120 -0.000 0.000 0.303 206 V C -1.091 175.119 176.094 0.193 0.000 1.151 206 V CA -0.976 61.383 62.300 0.099 0.000 0.929 206 V CB 2.050 33.905 31.823 0.054 0.000 1.030 206 V HN -0.251 nan 8.190 nan 0.000 0.427 207 E N 5.897 126.179 120.200 0.136 0.000 2.467 207 E HA 0.154 4.504 4.350 -0.000 0.000 0.264 207 E C -2.396 174.147 176.600 -0.095 0.000 1.020 207 E CA -1.226 55.206 56.400 0.052 0.000 0.945 207 E CB 0.237 29.961 29.700 0.040 0.000 0.942 207 E HN 0.540 nan 8.360 nan 0.000 0.449 208 P HA 0.203 nan 4.420 nan 0.000 0.269 208 P C -0.205 176.828 177.300 -0.446 0.000 1.215 208 P CA 0.533 63.161 63.100 -0.788 0.000 0.780 208 P CB 0.579 31.685 31.700 -0.990 0.000 0.898 209 G N 0.961 109.494 108.800 -0.445 0.000 2.617 209 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.686 209 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.686 209 G C 0.522 175.367 174.900 -0.092 0.000 1.214 209 G CA -0.167 44.797 45.100 -0.227 0.000 0.796 209 G HN 0.505 nan 8.290 nan 0.000 0.654 210 E N -0.242 119.922 120.200 -0.059 0.000 2.038 210 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 210 E C 2.488 179.088 176.600 -0.001 0.000 1.000 210 E CA 2.287 58.683 56.400 -0.007 0.000 0.803 210 E CB -0.175 29.518 29.700 -0.012 0.000 0.750 210 E HN 0.606 nan 8.360 nan 0.000 0.448 211 T N 0.619 115.161 114.554 -0.020 0.000 2.665 211 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 211 T C 1.850 176.550 174.700 -0.001 0.000 1.035 211 T CA 1.631 63.724 62.100 -0.012 0.000 1.151 211 T CB -0.392 68.463 68.868 -0.022 0.000 0.862 211 T HN 0.375 nan 8.240 nan 0.000 0.438 212 A N 1.177 123.991 122.820 -0.009 0.000 1.930 212 A HA 0.225 4.545 4.320 -0.000 0.000 0.217 212 A C 2.622 180.225 177.584 0.031 0.000 1.175 212 A CA 1.735 53.776 52.037 0.006 0.000 0.627 212 A CB -0.999 17.997 19.000 -0.006 0.000 0.815 212 A HN 0.511 nan 8.150 nan 0.000 0.443 213 A N -0.375 122.472 122.820 0.044 0.000 1.877 213 A HA -0.064 4.255 4.320 -0.000 0.000 0.216 213 A C 2.263 179.885 177.584 0.063 0.000 1.186 213 A CA 1.825 53.907 52.037 0.074 0.000 0.620 213 A CB -0.898 18.164 19.000 0.103 0.000 0.822 213 A HN 0.425 nan 8.150 nan 0.000 0.443 214 I N -0.341 120.260 120.570 0.052 0.000 2.286 214 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 214 I C 3.050 179.191 176.117 0.040 0.000 1.115 214 I CA 0.978 62.307 61.300 0.049 0.000 1.392 214 I CB -1.750 36.272 38.000 0.036 0.000 1.065 214 I HN 0.602 nan 8.210 nan 0.000 0.418 215 A N 0.483 123.321 122.820 0.031 0.000 1.898 215 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 215 A C 2.290 179.894 177.584 0.033 0.000 1.181 215 A CA 2.004 54.056 52.037 0.026 0.000 0.620 215 A CB -0.625 18.387 19.000 0.020 0.000 0.819 215 A HN 0.483 nan 8.150 nan 0.000 0.442 216 R N -0.234 120.289 120.500 0.038 0.000 2.075 216 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 216 R C 1.883 178.216 176.300 0.055 0.000 1.126 216 R CA 1.750 57.874 56.100 0.040 0.000 0.963 216 R CB -1.030 29.285 30.300 0.025 0.000 0.858 216 R HN 0.411 nan 8.270 nan 0.000 0.435 217 L N 0.891 122.145 121.223 0.052 0.000 2.012 217 L HA -0.181 4.158 4.340 -0.000 0.000 0.210 217 L C 2.033 178.937 176.870 0.057 0.000 1.073 217 L CA 1.985 56.861 54.840 0.061 0.000 0.748 217 L CB -0.654 41.455 42.059 0.084 0.000 0.891 217 L HN 0.344 nan 8.230 nan 0.000 0.431 218 Q N -0.668 119.156 119.800 0.041 0.000 2.084 218 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 218 Q C 2.145 178.149 176.000 0.007 0.000 0.978 218 Q CA 2.035 57.849 55.803 0.018 0.000 0.844 218 Q CB -0.165 28.582 28.738 0.016 0.000 0.898 218 Q HN 0.644 nan 8.270 nan 0.000 0.426 219 E N -0.028 120.188 120.200 0.027 0.000 2.072 219 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 219 E C 1.657 178.266 176.600 0.016 0.000 0.985 219 E CA 0.911 57.323 56.400 0.020 0.000 0.801 219 E CB -0.140 29.583 29.700 0.038 0.000 0.750 219 E HN 0.239 nan 8.360 nan 0.000 0.452 220 F N 1.027 120.906 119.950 -0.119 0.000 2.075 220 F HA -0.221 4.305 4.527 -0.000 0.000 0.297 220 F C 2.060 177.721 175.800 -0.232 0.000 1.113 220 F CA 1.194 59.083 58.000 -0.185 0.000 1.218 220 F CB -0.376 38.465 39.000 -0.266 0.000 0.984 220 F HN 0.009 nan 8.300 nan 0.000 0.472 221 C N 0.555 119.726 119.300 -0.216 0.000 2.449 221 C HA -0.082 4.378 4.460 -0.000 0.000 0.283 221 C C 2.065 176.915 174.990 -0.234 0.000 1.453 221 C CA 1.022 59.857 59.018 -0.304 0.000 1.779 221 C CB -1.574 26.074 27.740 -0.153 0.000 1.779 221 C HN 0.480 nan 8.230 nan 0.000 0.546 222 D N -0.616 119.678 120.400 -0.176 0.000 2.271 222 D HA 0.027 4.667 4.640 -0.000 0.000 0.206 222 D C 2.473 178.684 176.300 -0.148 0.000 0.967 222 D CA 0.807 54.730 54.000 -0.127 0.000 0.867 222 D CB 0.241 40.996 40.800 -0.075 0.000 0.960 222 D HN 0.316 nan 8.370 nan 0.000 0.509 223 R N -0.902 119.477 120.500 -0.203 0.000 4.870 223 R HA 0.368 4.708 4.340 -0.000 0.000 0.117 223 R C 1.836 177.978 176.300 -0.263 0.000 0.874 223 R CA 0.723 56.714 56.100 -0.182 0.000 0.913 223 R CB -1.060 29.176 30.300 -0.106 0.000 1.441 223 R HN -0.008 nan 8.270 nan 0.000 0.411 224 A N 1.654 124.303 122.820 -0.285 0.000 1.971 224 A HA -0.229 4.091 4.320 -0.000 0.000 0.222 224 A C 2.253 179.518 177.584 -0.532 0.000 1.182 224 A CA 2.332 54.188 52.037 -0.301 0.000 0.649 224 A CB -1.065 17.853 19.000 -0.135 0.000 0.818 224 A HN 0.200 nan 8.150 nan 0.000 0.458 225 I N -0.482 119.442 120.570 -1.077 0.000 2.423 225 I HA -0.127 4.043 4.170 -0.000 0.000 0.254 225 I C 2.715 178.645 176.117 -0.312 0.000 1.151 225 I CA 1.292 62.000 61.300 -0.987 0.000 1.421 225 I CB -1.221 36.090 38.000 -1.149 0.000 1.079 225 I HN 0.612 nan 8.210 nan 0.000 0.431 226 A N -0.761 121.916 122.820 -0.238 0.000 2.070 226 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 226 A C 1.740 179.314 177.584 -0.017 0.000 1.159 226 A CA 1.803 53.781 52.037 -0.099 0.000 0.656 226 A CB -0.482 18.459 19.000 -0.099 0.000 0.800 226 A HN 0.662 nan 8.150 nan 0.000 0.453 227 D N -2.488 117.910 120.400 -0.004 0.000 2.395 227 D HA 0.071 4.711 4.640 -0.000 0.000 0.213 227 D C 0.965 177.340 176.300 0.126 0.000 1.110 227 D CA -0.206 53.828 54.000 0.057 0.000 0.835 227 D CB -0.146 40.683 40.800 0.048 0.000 0.965 227 D HN 0.445 nan 8.370 nan 0.000 0.505 228 Y N 2.219 122.536 120.300 0.028 0.000 2.096 228 Y HA -0.261 4.288 4.550 -0.000 0.000 0.278 228 Y C 0.495 176.468 175.900 0.121 0.000 1.192 228 Y CA 1.565 59.742 58.100 0.128 0.000 1.143 228 Y CB -0.034 38.548 38.460 0.202 0.000 0.963 228 Y HN -0.146 nan 8.280 nan 0.000 0.505 229 D N -0.231 120.200 120.400 0.051 0.000 2.303 229 D HA 0.231 4.871 4.640 -0.000 0.000 0.236 229 D C -2.115 174.201 176.300 0.026 0.000 1.068 229 D CA -2.453 51.522 54.000 -0.041 0.000 0.830 229 D CB 1.474 42.291 40.800 0.028 0.000 1.109 229 D HN 0.063 nan 8.370 nan 0.000 0.496 230 P HA 0.024 nan 4.420 nan 0.000 0.262 230 P C 0.702 177.973 177.300 -0.047 0.000 1.304 230 P CA -0.029 63.056 63.100 -0.025 0.000 0.859 230 P CB 0.719 32.464 31.700 0.076 0.000 1.310 231 Q N 1.115 120.951 119.800 0.061 0.000 2.308 231 Q HA -0.165 4.175 4.340 -0.000 0.000 0.209 231 Q C 2.241 178.252 176.000 0.020 0.000 0.985 231 Q CA 1.321 57.218 55.803 0.158 0.000 0.881 231 Q CB -0.702 28.144 28.738 0.179 0.000 0.917 231 Q HN 0.546 nan 8.270 nan 0.000 0.443 232 R N 0.039 120.392 120.500 -0.244 0.000 2.152 232 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 232 R C 1.183 177.359 176.300 -0.206 0.000 1.117 232 R CA 1.314 57.222 56.100 -0.319 0.000 0.981 232 R CB -0.367 29.363 30.300 -0.950 0.000 0.870 232 R HN 0.176 nan 8.270 nan 0.000 0.451 233 N N 0.467 118.889 118.700 -0.463 0.000 2.459 233 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 233 N C -0.548 174.582 175.510 -0.633 0.000 1.046 233 N CA 0.743 53.407 53.050 -0.643 0.000 0.904 233 N CB 0.053 38.045 38.487 -0.824 0.000 0.964 233 N HN 0.158 nan 8.380 nan 0.000 0.444 234 F N 0.367 120.321 119.950 0.008 0.000 2.347 234 F HA 0.373 4.899 4.527 -0.000 0.000 0.366 234 F C -1.546 173.991 175.800 -0.438 0.000 1.107 234 F CA -2.672 55.257 58.000 -0.119 0.000 1.058 234 F CB 1.571 40.567 39.000 -0.007 0.000 1.236 234 F HN -0.228 nan 8.300 nan 0.000 0.456 235 P HA -0.235 nan 4.420 nan 0.000 0.218 235 P C 1.436 178.667 177.300 -0.115 0.000 1.146 235 P CA 1.811 64.354 63.100 -0.928 0.000 0.813 235 P CB 0.300 31.321 31.700 -1.132 0.000 0.778 236 A N -0.857 122.007 122.820 0.075 0.000 1.930 236 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 236 A C 1.209 178.905 177.584 0.186 0.000 1.175 236 A CA 1.114 53.290 52.037 0.233 0.000 0.627 236 A CB -0.642 18.458 19.000 0.167 0.000 0.815 236 A HN 0.074 nan 8.150 nan 0.000 0.443 237 E N -0.237 120.062 120.200 0.166 0.000 2.354 237 E HA 0.429 4.779 4.350 -0.000 0.000 0.269 237 E C -0.235 176.500 176.600 0.224 0.000 1.036 237 E CA 0.222 56.731 56.400 0.182 0.000 0.876 237 E CB 1.008 30.840 29.700 0.220 0.000 1.009 237 E HN 0.251 nan 8.360 nan 0.000 0.416 238 A N 2.585 125.531 122.820 0.209 0.000 3.126 238 A HA 0.352 4.672 4.320 -0.000 0.000 0.268 238 A C 1.159 178.898 177.584 0.259 0.000 1.605 238 A CA 0.099 52.275 52.037 0.231 0.000 1.305 238 A CB -0.685 18.414 19.000 0.165 0.000 1.160 238 A HN 0.571 nan 8.150 nan 0.000 0.609 239 G N 0.124 109.117 108.800 0.321 0.000 3.042 239 G HA2 0.255 4.215 3.960 -0.000 0.000 0.212 239 G HA3 0.255 4.215 3.960 -0.000 0.000 0.212 239 G C 0.791 176.004 174.900 0.521 0.000 1.166 239 G CA 0.863 46.179 45.100 0.360 0.000 0.767 239 G HN 0.698 nan 8.290 nan 0.000 0.546 240 T N -2.779 112.053 114.554 0.463 0.000 2.937 240 T HA 0.471 4.821 4.350 -0.000 0.000 0.283 240 T C 1.734 176.470 174.700 0.060 0.000 1.012 240 T CA 0.412 62.771 62.100 0.432 0.000 0.997 240 T CB 1.662 70.767 68.868 0.394 0.000 1.136 240 T HN 0.100 nan 8.240 nan 0.000 0.551 241 S N -0.278 115.160 115.700 -0.437 0.000 2.406 241 S HA 0.239 4.709 4.470 -0.000 0.000 0.228 241 S C 2.017 176.431 174.600 -0.310 0.000 1.020 241 S CA 0.765 58.450 58.200 -0.859 0.000 0.965 241 S CB -1.305 61.208 63.200 -1.145 0.000 0.798 241 S HN 2.269 nan 8.310 nan 0.000 0.488 242 G N 0.917 109.613 108.800 -0.172 0.000 2.143 242 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 242 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 242 G C 0.406 175.214 174.900 -0.154 0.000 0.991 242 G CA 0.494 45.436 45.100 -0.264 0.000 0.689 242 G HN 0.557 nan 8.290 nan 0.000 0.522 243 L N 1.260 122.447 121.223 -0.060 0.000 2.591 243 L HA 0.078 4.418 4.340 -0.000 0.000 0.228 243 L C 2.841 179.727 176.870 0.027 0.000 1.133 243 L CA 0.992 55.834 54.840 0.003 0.000 0.880 243 L CB -0.203 41.891 42.059 0.058 0.000 1.033 243 L HN 0.479 nan 8.230 nan 0.000 0.450 244 S N 1.015 116.745 115.700 0.051 0.000 2.378 244 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 244 S C -0.274 174.310 174.600 -0.027 0.000 1.052 244 S CA 1.475 59.706 58.200 0.053 0.000 1.084 244 S CB -2.074 61.221 63.200 0.158 0.000 0.950 244 S HN 0.323 nan 8.310 nan 0.000 0.440 245 P HA 0.068 nan 4.420 nan 0.000 0.219 245 P C 1.560 178.761 177.300 -0.165 0.000 1.150 245 P CA 1.633 64.542 63.100 -0.318 0.000 0.814 245 P CB -0.248 30.980 31.700 -0.785 0.000 0.787 246 A N -0.044 122.766 122.820 -0.017 0.000 1.969 246 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 246 A C 2.377 180.066 177.584 0.175 0.000 1.169 246 A CA 1.123 53.288 52.037 0.212 0.000 0.635 246 A CB -1.463 17.648 19.000 0.185 0.000 0.810 246 A HN 0.146 nan 8.150 nan 0.000 0.445 247 L N -0.900 120.381 121.223 0.097 0.000 2.131 247 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 247 L C 2.604 179.502 176.870 0.048 0.000 1.087 247 L CA 1.170 56.063 54.840 0.089 0.000 0.767 247 L CB -0.304 41.794 42.059 0.066 0.000 0.917 247 L HN 0.299 nan 8.230 nan 0.000 0.441 248 K N 0.537 120.915 120.400 -0.037 0.000 2.057 248 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 248 K C 1.587 178.023 176.600 -0.275 0.000 1.049 248 K CA 1.744 57.910 56.287 -0.203 0.000 0.931 248 K CB -0.036 32.244 32.500 -0.366 0.000 0.714 248 K HN 0.191 nan 8.250 nan 0.000 0.440 249 F N 0.075 120.099 119.950 0.125 0.000 2.727 249 F HA 0.255 4.782 4.527 -0.000 0.000 0.302 249 F C 1.192 177.103 175.800 0.185 0.000 1.097 249 F CA 0.422 58.530 58.000 0.180 0.000 1.330 249 F CB 0.315 39.474 39.000 0.264 0.000 1.084 249 F HN 0.265 nan 8.300 nan 0.000 0.578 250 G N 0.720 109.688 108.800 0.281 0.000 2.249 250 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.273 250 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.273 250 G C 1.285 176.325 174.900 0.233 0.000 1.036 250 G CA 0.381 45.626 45.100 0.242 0.000 0.824 250 G HN 0.565 nan 8.290 nan 0.000 0.504 251 A N -1.472 121.498 122.820 0.249 0.000 2.121 251 A HA 0.494 4.814 4.320 -0.000 0.000 0.218 251 A C 1.323 178.992 177.584 0.141 0.000 1.154 251 A CA 1.633 53.778 52.037 0.180 0.000 0.679 251 A CB 0.292 19.419 19.000 0.212 0.000 0.795 251 A HN 1.535 nan 8.150 nan 0.000 0.458 252 I N -1.570 119.094 120.570 0.157 0.000 2.730 252 I HA 0.656 4.826 4.170 -0.000 0.000 0.298 252 I C 0.404 176.609 176.117 0.146 0.000 1.089 252 I CA -0.498 60.884 61.300 0.138 0.000 1.041 252 I CB 1.362 39.446 38.000 0.141 0.000 1.235 252 I HN 0.356 nan 8.210 nan 0.000 0.423 253 G N 3.052 111.932 108.800 0.135 0.000 2.395 253 G HA2 0.414 4.374 3.960 -0.000 0.000 0.283 253 G HA3 0.414 4.374 3.960 -0.000 0.000 0.283 253 G C 1.000 175.993 174.900 0.156 0.000 1.178 253 G CA 0.171 45.353 45.100 0.136 0.000 0.837 253 G HN 1.035 nan 8.290 nan 0.000 0.518 254 I N 2.011 122.674 120.570 0.155 0.000 2.454 254 I HA -0.075 4.095 4.170 -0.000 0.000 0.254 254 I C 2.722 178.960 176.117 0.202 0.000 1.156 254 I CA 1.290 62.696 61.300 0.177 0.000 1.433 254 I CB -0.847 37.245 38.000 0.152 0.000 1.082 254 I HN 0.768 nan 8.210 nan 0.000 0.432 255 R N -0.313 120.280 120.500 0.155 0.000 2.119 255 R HA -0.077 4.263 4.340 -0.000 0.000 0.222 255 R C 2.353 178.781 176.300 0.214 0.000 1.088 255 R CA 1.522 57.720 56.100 0.164 0.000 0.984 255 R CB -0.344 30.010 30.300 0.089 0.000 0.884 255 R HN 0.612 nan 8.270 nan 0.000 0.447 256 Q N 0.093 119.999 119.800 0.176 0.000 2.079 256 Q HA -0.078 4.261 4.340 -0.000 0.000 0.200 256 Q C 2.230 178.354 176.000 0.207 0.000 0.974 256 Q CA 1.508 57.407 55.803 0.161 0.000 0.840 256 Q CB -0.153 28.661 28.738 0.127 0.000 0.898 256 Q HN 0.339 nan 8.270 nan 0.000 0.430 257 A N 1.345 124.319 122.820 0.257 0.000 1.865 257 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 257 A C 1.796 179.623 177.584 0.406 0.000 1.191 257 A CA 1.258 53.501 52.037 0.344 0.000 0.623 257 A CB -1.223 18.004 19.000 0.380 0.000 0.826 257 A HN 0.710 nan 8.150 nan 0.000 0.444 258 W N 0.620 122.053 121.300 0.221 0.000 2.358 258 W HA -0.214 4.446 4.660 -0.000 0.000 0.303 258 W C 2.192 178.814 176.519 0.172 0.000 1.208 258 W CA 2.107 59.578 57.345 0.211 0.000 1.274 258 W CB -0.419 29.124 29.460 0.138 0.000 1.138 258 W HN 0.606 nan 8.180 nan 0.000 0.515 259 Q N 0.512 120.472 119.800 0.267 0.000 2.084 259 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 259 Q C 2.401 178.424 176.000 0.038 0.000 0.978 259 Q CA 2.257 58.141 55.803 0.135 0.000 0.844 259 Q CB -0.430 28.405 28.738 0.161 0.000 0.898 259 Q HN 0.178 nan 8.270 nan 0.000 0.426 260 A N 0.707 123.570 122.820 0.072 0.000 1.902 260 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 260 A C 2.267 179.843 177.584 -0.014 0.000 1.181 260 A CA 1.706 53.764 52.037 0.036 0.000 0.623 260 A CB -0.969 18.067 19.000 0.061 0.000 0.818 260 A HN 0.558 nan 8.150 nan 0.000 0.443 261 A N -0.969 121.848 122.820 -0.006 0.000 1.898 261 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 261 A C 2.482 179.995 177.584 -0.119 0.000 1.181 261 A CA 2.097 54.110 52.037 -0.040 0.000 0.620 261 A CB -0.960 18.113 19.000 0.121 0.000 0.819 261 A HN 0.557 nan 8.150 nan 0.000 0.442 262 S N -0.337 115.209 115.700 -0.256 0.000 2.368 262 S HA -0.064 4.406 4.470 -0.000 0.000 0.225 262 S C 2.173 176.748 174.600 -0.041 0.000 1.030 262 S CA 1.616 59.677 58.200 -0.231 0.000 0.999 262 S CB -0.466 62.554 63.200 -0.300 0.000 0.844 262 S HN 0.811 nan 8.310 nan 0.000 0.459 263 A N 1.104 123.907 122.820 -0.028 0.000 1.933 263 A HA 0.225 4.545 4.320 -0.000 0.000 0.218 263 A C 2.413 179.997 177.584 -0.000 0.000 1.175 263 A CA 1.761 53.799 52.037 0.002 0.000 0.628 263 A CB -1.219 17.782 19.000 0.002 0.000 0.814 263 A HN 0.738 nan 8.150 nan 0.000 0.444 264 A N -1.406 121.403 122.820 -0.019 0.000 1.930 264 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 264 A C 2.123 179.699 177.584 -0.013 0.000 1.175 264 A CA 1.644 53.657 52.037 -0.039 0.000 0.627 264 A CB -0.852 18.097 19.000 -0.085 0.000 0.815 264 A HN 0.731 nan 8.150 nan 0.000 0.443 265 H N 0.000 119.031 119.070 -0.066 0.000 2.389 265 H HA 0.042 4.597 4.556 -0.000 0.000 0.299 265 H C 2.147 177.460 175.328 -0.024 0.000 1.081 265 H CA 1.526 57.549 56.048 -0.041 0.000 1.345 265 H CB -0.084 29.652 29.762 -0.043 0.000 1.393 265 H HN 0.404 nan 8.280 nan 0.000 0.520 266 A N 0.744 123.632 122.820 0.115 0.000 2.014 266 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 266 A C 2.405 179.986 177.584 -0.004 0.000 1.163 266 A CA 0.888 52.968 52.037 0.072 0.000 0.652 266 A CB -0.446 18.600 19.000 0.076 0.000 0.808 266 A HN 0.399 nan 8.150 nan 0.000 0.449 267 L N -0.567 120.643 121.223 -0.022 0.000 2.209 267 L HA 0.181 4.521 4.340 -0.000 0.000 0.207 267 L C 1.356 178.190 176.870 -0.060 0.000 1.094 267 L CA 1.074 55.893 54.840 -0.035 0.000 0.790 267 L CB -0.346 41.693 42.059 -0.034 0.000 0.932 267 L HN 0.239 nan 8.230 nan 0.000 0.447 268 S N 0.360 116.004 115.700 -0.094 0.000 2.562 268 S HA 0.144 4.613 4.470 -0.000 0.000 0.281 268 S C 1.030 175.562 174.600 -0.113 0.000 1.333 268 S CA -0.516 57.616 58.200 -0.113 0.000 1.052 268 S CB 0.284 63.391 63.200 -0.155 0.000 0.884 268 S HN 0.516 nan 8.310 nan 0.000 0.506 269 R N 2.417 122.867 120.500 -0.082 0.000 2.596 269 R HA 0.248 4.587 4.340 -0.000 0.000 0.369 269 R C -0.246 176.020 176.300 -0.056 0.000 1.042 269 R CA -0.323 55.739 56.100 -0.064 0.000 1.120 269 R CB -0.852 29.423 30.300 -0.042 0.000 1.353 269 R HN 0.409 nan 8.270 nan 0.000 0.564 270 S N 0.443 116.103 115.700 -0.068 0.000 2.478 270 S HA 0.329 4.799 4.470 -0.000 0.000 0.312 270 S C 0.045 174.615 174.600 -0.050 0.000 1.094 270 S CA -0.491 57.681 58.200 -0.048 0.000 1.081 270 S CB 1.575 64.751 63.200 -0.040 0.000 1.007 270 S HN 0.080 nan 8.310 nan 0.000 0.475 271 D N 3.312 123.697 120.400 -0.026 0.000 2.104 271 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 271 D C 1.672 177.975 176.300 0.005 0.000 0.994 271 D CA 1.544 55.538 54.000 -0.009 0.000 0.830 271 D CB 0.013 40.819 40.800 0.010 0.000 0.959 271 D HN 0.782 nan 8.370 nan 0.000 0.452 272 E N 0.275 120.480 120.200 0.008 0.000 2.085 272 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 272 E C 2.064 178.678 176.600 0.023 0.000 0.994 272 E CA 1.037 57.451 56.400 0.023 0.000 0.801 272 E CB -0.066 29.646 29.700 0.020 0.000 0.743 272 E HN 0.209 nan 8.360 nan 0.000 0.453 273 A N 1.737 124.554 122.820 -0.006 0.000 1.902 273 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 273 A C 2.062 179.640 177.584 -0.009 0.000 1.181 273 A CA 1.073 53.100 52.037 -0.018 0.000 0.623 273 A CB -0.341 18.626 19.000 -0.055 0.000 0.818 273 A HN 0.068 nan 8.150 nan 0.000 0.443 274 R N -0.141 120.325 120.500 -0.057 0.000 2.094 274 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 274 R C 2.053 178.443 176.300 0.151 0.000 1.137 274 R CA 1.846 57.897 56.100 -0.081 0.000 0.943 274 R CB -1.200 29.000 30.300 -0.165 0.000 0.850 274 R HN 0.721 nan 8.270 nan 0.000 0.433 275 N N 0.705 119.477 118.700 0.121 0.000 2.104 275 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 275 N C 1.639 177.253 175.510 0.174 0.000 1.024 275 N CA 1.856 54.996 53.050 0.150 0.000 0.853 275 N CB -0.087 38.464 38.487 0.107 0.000 1.008 275 N HN 0.024 nan 8.380 nan 0.000 0.424 276 S N -0.621 115.171 115.700 0.153 0.000 2.370 276 S HA -0.098 4.372 4.470 -0.000 0.000 0.226 276 S C 2.079 176.846 174.600 0.279 0.000 1.033 276 S CA 1.306 59.633 58.200 0.212 0.000 1.011 276 S CB -0.321 62.969 63.200 0.150 0.000 0.852 276 S HN 0.336 nan 8.310 nan 0.000 0.457 277 I N 1.318 122.010 120.570 0.204 0.000 2.353 277 I HA -0.001 4.169 4.170 -0.000 0.000 0.248 277 I C 2.519 178.792 176.117 0.260 0.000 1.119 277 I CA 0.761 62.187 61.300 0.210 0.000 1.417 277 I CB -1.198 36.901 38.000 0.165 0.000 1.078 277 I HN 0.344 nan 8.210 nan 0.000 0.421 278 R N 0.580 121.236 120.500 0.260 0.000 2.081 278 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 278 R C 2.390 178.821 176.300 0.219 0.000 1.131 278 R CA 1.143 57.373 56.100 0.217 0.000 0.960 278 R CB -1.001 29.430 30.300 0.219 0.000 0.856 278 R HN 0.459 nan 8.270 nan 0.000 0.436 279 V N -0.270 119.795 119.914 0.251 0.000 2.343 279 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 279 V C 2.004 178.297 176.094 0.332 0.000 1.051 279 V CA 1.639 64.098 62.300 0.266 0.000 1.036 279 V CB -0.578 31.439 31.823 0.324 0.000 0.654 279 V HN 0.384 nan 8.190 nan 0.000 0.451 280 W N 0.791 122.180 121.300 0.147 0.000 2.358 280 W HA -0.181 4.479 4.660 -0.000 0.000 0.303 280 W C 2.578 179.104 176.519 0.011 0.000 1.208 280 W CA 1.803 59.057 57.345 -0.152 0.000 1.274 280 W CB -0.248 29.010 29.460 -0.337 0.000 1.138 280 W HN 0.252 nan 8.180 nan 0.000 0.515 281 Q N -0.462 119.452 119.800 0.189 0.000 2.170 281 Q HA -0.300 4.040 4.340 -0.000 0.000 0.203 281 Q C 2.060 178.177 176.000 0.195 0.000 0.976 281 Q CA 1.735 57.654 55.803 0.194 0.000 0.858 281 Q CB -0.408 28.452 28.738 0.204 0.000 0.907 281 Q HN 0.306 nan 8.270 nan 0.000 0.433 282 Q N 0.855 120.694 119.800 0.065 0.000 2.124 282 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 282 Q C 1.671 177.650 176.000 -0.035 0.000 0.977 282 Q CA 1.312 57.040 55.803 -0.125 0.000 0.850 282 Q CB 0.127 28.745 28.738 -0.199 0.000 0.901 282 Q HN 0.246 nan 8.270 nan 0.000 0.429 283 E N 0.171 120.324 120.200 -0.078 0.000 2.085 283 E HA -0.173 4.176 4.350 -0.000 0.000 0.194 283 E C 2.014 178.519 176.600 -0.158 0.000 0.994 283 E CA 1.117 57.437 56.400 -0.133 0.000 0.801 283 E CB -0.348 29.143 29.700 -0.349 0.000 0.743 283 E HN 0.466 nan 8.360 nan 0.000 0.453 284 L N 0.243 121.327 121.223 -0.233 0.000 2.201 284 L HA -0.092 4.247 4.340 -0.000 0.000 0.212 284 L C 2.461 179.224 176.870 -0.178 0.000 1.105 284 L CA 0.936 55.699 54.840 -0.127 0.000 0.775 284 L CB -0.546 41.546 42.059 0.054 0.000 0.913 284 L HN 0.048 nan 8.230 nan 0.000 0.440 285 A N -0.514 122.099 122.820 -0.344 0.000 1.897 285 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 285 A C 1.910 179.257 177.584 -0.396 0.000 1.181 285 A CA 0.955 52.505 52.037 -0.810 0.000 0.620 285 A CB -0.816 17.860 19.000 -0.540 0.000 0.821 285 A HN 0.465 nan 8.150 nan 0.000 0.443 286 W N 0.081 121.225 121.300 -0.262 0.000 2.363 286 W HA -0.135 4.525 4.660 -0.000 0.000 0.296 286 W C 2.550 178.944 176.519 -0.209 0.000 1.212 286 W CA 1.781 58.941 57.345 -0.310 0.000 1.260 286 W CB -0.077 29.142 29.460 -0.403 0.000 1.131 286 W HN 0.359 nan 8.180 nan 0.000 0.530 287 R N 0.982 121.528 120.500 0.077 0.000 2.083 287 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 287 R C 1.824 178.152 176.300 0.046 0.000 1.137 287 R CA 2.045 58.201 56.100 0.093 0.000 0.951 287 R CB -0.428 29.892 30.300 0.033 0.000 0.851 287 R HN 0.185 nan 8.270 nan 0.000 0.434 288 E N -0.295 119.865 120.200 -0.065 0.000 2.208 288 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 288 E C 1.777 178.184 176.600 -0.323 0.000 0.988 288 E CA 0.753 57.107 56.400 -0.076 0.000 0.828 288 E CB -0.226 29.470 29.700 -0.006 0.000 0.763 288 E HN 0.343 nan 8.360 nan 0.000 0.478 289 F N 1.345 120.839 119.950 -0.760 0.000 2.102 289 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 289 F C 1.876 177.342 175.800 -0.556 0.000 1.105 289 F CA 1.427 58.655 58.000 -1.287 0.000 1.239 289 F CB -0.374 37.851 39.000 -1.291 0.000 0.991 289 F HN -0.092 nan 8.300 nan 0.000 0.474 290 Y N 0.644 120.782 120.300 -0.269 0.000 2.263 290 Y HA -0.125 4.425 4.550 -0.000 0.000 0.292 290 Y C 2.615 178.444 175.900 -0.119 0.000 1.130 290 Y CA 1.405 59.372 58.100 -0.221 0.000 1.179 290 Y CB -1.148 37.289 38.460 -0.039 0.000 0.998 290 Y HN 0.197 nan 8.280 nan 0.000 0.532 291 Q N -0.890 118.981 119.800 0.119 0.000 2.079 291 Q HA -0.188 4.151 4.340 -0.000 0.000 0.200 291 Q C 1.932 178.021 176.000 0.148 0.000 0.974 291 Q CA 1.407 57.297 55.803 0.145 0.000 0.840 291 Q CB -0.354 28.490 28.738 0.175 0.000 0.898 291 Q HN 0.699 nan 8.270 nan 0.000 0.430 292 H N -0.168 118.859 119.070 -0.073 0.000 2.353 292 H HA -0.080 4.476 4.556 -0.000 0.000 0.300 292 H C 2.132 177.427 175.328 -0.056 0.000 1.090 292 H CA 0.714 56.712 56.048 -0.082 0.000 1.327 292 H CB 0.188 30.009 29.762 0.098 0.000 1.383 292 H HN 0.295 nan 8.280 nan 0.000 0.508 293 A N 1.224 124.048 122.820 0.008 0.000 1.902 293 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 293 A C 2.351 179.983 177.584 0.081 0.000 1.181 293 A CA 1.238 53.286 52.037 0.018 0.000 0.623 293 A CB -0.665 18.239 19.000 -0.161 0.000 0.818 293 A HN 0.287 nan 8.150 nan 0.000 0.443 294 L N -1.639 119.629 121.223 0.074 0.000 2.083 294 L HA -0.135 4.204 4.340 -0.000 0.000 0.209 294 L C 2.260 179.173 176.870 0.071 0.000 1.083 294 L CA 2.289 57.182 54.840 0.089 0.000 0.752 294 L CB -0.934 41.183 42.059 0.097 0.000 0.899 294 L HN 0.540 nan 8.230 nan 0.000 0.433 295 Y N -0.752 119.489 120.300 -0.100 0.000 2.114 295 Y HA -0.268 4.282 4.550 -0.000 0.000 0.284 295 Y C 2.700 178.451 175.900 -0.249 0.000 1.143 295 Y CA 2.174 60.164 58.100 -0.183 0.000 1.135 295 Y CB -0.231 38.025 38.460 -0.341 0.000 0.980 295 Y HN 0.334 nan 8.280 nan 0.000 0.499 296 H N -1.399 117.625 119.070 -0.077 0.000 2.428 296 H HA -0.001 4.555 4.556 -0.000 0.000 0.296 296 H C -0.129 174.828 175.328 -0.618 0.000 1.062 296 H CA 1.137 56.913 56.048 -0.452 0.000 1.350 296 H CB -0.242 29.061 29.762 -0.763 0.000 1.403 296 H HN 0.244 nan 8.280 nan 0.000 0.533 297 F N 1.521 121.550 119.950 0.131 0.000 2.449 297 F HA 0.277 4.804 4.527 -0.000 0.000 0.329 297 F C -1.618 174.217 175.800 0.059 0.000 1.245 297 F CA -2.982 55.073 58.000 0.092 0.000 1.193 297 F CB 1.098 40.096 39.000 -0.004 0.000 1.425 297 F HN -0.060 nan 8.300 nan 0.000 0.544 298 P HA -0.213 nan 4.420 nan 0.000 0.218 298 P C 1.550 178.950 177.300 0.167 0.000 1.146 298 P CA 1.615 64.784 63.100 0.115 0.000 0.813 298 P CB 0.132 31.859 31.700 0.045 0.000 0.778 299 S N -0.540 115.303 115.700 0.238 0.000 2.474 299 S HA -0.093 4.377 4.470 -0.000 0.000 0.235 299 S C 2.072 176.851 174.600 0.298 0.000 0.997 299 S CA 0.489 58.843 58.200 0.256 0.000 0.949 299 S CB -1.656 61.719 63.200 0.291 0.000 0.766 299 S HN 0.080 nan 8.310 nan 0.000 0.517 300 L N 1.106 122.491 121.223 0.269 0.000 2.081 300 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 300 L C 3.039 180.042 176.870 0.222 0.000 1.080 300 L CA 1.323 56.281 54.840 0.196 0.000 0.754 300 L CB -0.739 41.327 42.059 0.012 0.000 0.893 300 L HN 0.517 nan 8.230 nan 0.000 0.433 301 A N -0.790 122.137 122.820 0.178 0.000 2.121 301 A HA -0.190 4.129 4.320 -0.000 0.000 0.218 301 A C 1.730 179.408 177.584 0.157 0.000 1.154 301 A CA 1.545 53.678 52.037 0.161 0.000 0.679 301 A CB -0.376 18.698 19.000 0.122 0.000 0.795 301 A HN 0.393 nan 8.150 nan 0.000 0.458 302 D N -0.731 119.764 120.400 0.159 0.000 2.317 302 D HA 0.287 4.927 4.640 -0.000 0.000 0.211 302 D C 1.206 177.544 176.300 0.063 0.000 0.966 302 D CA 1.393 55.456 54.000 0.105 0.000 0.876 302 D CB 0.257 41.120 40.800 0.106 0.000 0.927 302 D HN 0.580 nan 8.370 nan 0.000 0.519 303 G N 0.067 108.953 108.800 0.142 0.000 2.293 303 G HA2 -0.073 3.886 3.960 -0.000 0.000 0.282 303 G HA3 -0.073 3.886 3.960 -0.000 0.000 0.282 303 G C -2.792 172.241 174.900 0.221 0.000 1.299 303 G CA -1.161 43.915 45.100 -0.039 0.000 1.018 303 G HN -0.192 nan 8.290 nan 0.000 0.478 304 P HA 0.085 nan 4.420 nan 0.000 0.257 304 P C -0.101 177.456 177.300 0.428 0.000 1.162 304 P CA 0.591 63.959 63.100 0.447 0.000 0.762 304 P CB 0.110 32.050 31.700 0.400 0.000 0.753 305 Y N 5.503 125.989 120.300 0.311 0.000 2.177 305 Y HA 0.063 4.613 4.550 -0.000 0.000 0.291 305 Y C 1.106 177.123 175.900 0.196 0.000 1.117 305 Y CA 1.009 59.235 58.100 0.210 0.000 1.114 305 Y CB -0.017 38.540 38.460 0.163 0.000 1.017 305 Y HN 0.141 nan 8.280 nan 0.000 0.505 306 R N 0.937 121.629 120.500 0.320 0.000 2.585 306 R HA -0.013 4.327 4.340 -0.000 0.000 0.275 306 R C 1.774 178.182 176.300 0.180 0.000 1.018 306 R CA 0.522 56.748 56.100 0.210 0.000 1.072 306 R CB 0.582 31.117 30.300 0.392 0.000 0.953 306 R HN 0.516 nan 8.270 nan 0.000 0.419 307 S N 3.895 119.619 115.700 0.040 0.000 2.378 307 S HA -0.248 4.222 4.470 -0.000 0.000 0.229 307 S C 1.823 176.432 174.600 0.015 0.000 1.052 307 S CA 1.280 59.486 58.200 0.010 0.000 1.084 307 S CB -0.316 62.864 63.200 -0.033 0.000 0.950 307 S HN 0.634 nan 8.310 nan 0.000 0.440 308 L N 0.175 121.386 121.223 -0.021 0.000 2.013 308 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 308 L C 2.271 179.017 176.870 -0.206 0.000 1.073 308 L CA 2.124 56.854 54.840 -0.184 0.000 0.753 308 L CB -1.554 40.320 42.059 -0.308 0.000 0.890 308 L HN 0.525 nan 8.230 nan 0.000 0.432 309 W N 0.361 121.734 121.300 0.121 0.000 2.465 309 W HA -0.125 4.535 4.660 -0.000 0.000 0.268 309 W C 2.640 179.265 176.519 0.177 0.000 1.242 309 W CA 0.545 57.998 57.345 0.180 0.000 1.248 309 W CB -0.221 29.393 29.460 0.258 0.000 1.118 309 W HN 0.310 nan 8.180 nan 0.000 0.587 310 Q N -0.016 119.949 119.800 0.274 0.000 2.437 310 Q HA -0.156 4.183 4.340 -0.000 0.000 0.210 310 Q C 1.311 177.379 176.000 0.113 0.000 0.972 310 Q CA 0.919 56.834 55.803 0.186 0.000 0.903 310 Q CB -0.171 28.627 28.738 0.099 0.000 0.967 310 Q HN 0.492 nan 8.270 nan 0.000 0.486 311 Q N -0.716 119.108 119.800 0.041 0.000 2.179 311 Q HA 0.144 4.484 4.340 -0.000 0.000 0.213 311 Q C -0.645 175.257 176.000 -0.164 0.000 0.833 311 Q CA -0.448 55.317 55.803 -0.064 0.000 0.990 311 Q CB 0.476 29.142 28.738 -0.121 0.000 1.132 311 Q HN 0.154 nan 8.270 nan 0.000 0.493 312 F N 4.670 124.422 119.950 -0.331 0.000 2.538 312 F HA 0.114 4.641 4.527 -0.000 0.000 0.371 312 F C -1.780 173.588 175.800 -0.719 0.000 1.087 312 F CA -2.335 55.264 58.000 -0.669 0.000 1.250 312 F CB 0.854 39.279 39.000 -0.959 0.000 1.110 312 F HN -0.040 nan 8.300 nan 0.000 0.570 313 P HA -0.012 nan 4.420 nan 0.000 0.237 313 P C -1.185 175.773 177.300 -0.570 0.000 1.788 313 P CA -0.142 62.529 63.100 -0.714 0.000 1.061 313 P CB -0.639 30.656 31.700 -0.675 0.000 1.967 314 W N 1.346 122.622 121.300 -0.040 0.000 2.264 314 W HA 0.086 4.746 4.660 -0.000 0.000 0.331 314 W C 1.828 178.343 176.519 -0.008 0.000 1.364 314 W CA -0.199 57.202 57.345 0.093 0.000 1.253 314 W CB 0.480 29.997 29.460 0.096 0.000 1.215 314 W HN 0.408 nan 8.180 nan 0.000 0.561 315 E N 2.400 122.753 120.200 0.254 0.000 2.046 315 E HA -0.280 4.070 4.350 -0.000 0.000 0.190 315 E C 0.342 177.011 176.600 0.115 0.000 0.982 315 E CA 1.111 57.587 56.400 0.126 0.000 0.800 315 E CB -0.054 29.715 29.700 0.114 0.000 0.756 315 E HN 0.518 nan 8.360 nan 0.000 0.449 316 N N 1.270 120.052 118.700 0.136 0.000 2.708 316 N HA -0.180 4.560 4.740 -0.000 0.000 0.255 316 N C -1.237 174.297 175.510 0.041 0.000 1.046 316 N CA 0.760 53.840 53.050 0.050 0.000 0.715 316 N CB -1.305 37.190 38.487 0.013 0.000 0.895 316 N HN 0.255 nan 8.380 nan 0.000 0.545 317 R N 0.851 121.391 120.500 0.067 0.000 2.248 317 R HA 0.049 4.389 4.340 -0.000 0.000 0.337 317 R C 1.349 177.707 176.300 0.097 0.000 1.106 317 R CA -0.458 55.685 56.100 0.072 0.000 0.959 317 R CB 0.771 31.119 30.300 0.080 0.000 1.075 317 R HN 0.175 nan 8.270 nan 0.000 0.480 318 E N 3.375 123.626 120.200 0.085 0.000 2.147 318 E HA -0.266 4.084 4.350 -0.000 0.000 0.199 318 E C 1.635 178.341 176.600 0.178 0.000 1.005 318 E CA 2.233 58.710 56.400 0.129 0.000 0.810 318 E CB 0.065 29.821 29.700 0.093 0.000 0.736 318 E HN 0.712 nan 8.360 nan 0.000 0.460 319 A N 0.171 123.067 122.820 0.127 0.000 1.908 319 A HA -0.160 4.159 4.320 -0.000 0.000 0.218 319 A C 2.315 179.980 177.584 0.134 0.000 1.181 319 A CA 1.542 53.648 52.037 0.115 0.000 0.627 319 A CB -0.694 18.359 19.000 0.088 0.000 0.818 319 A HN 0.345 nan 8.150 nan 0.000 0.445 320 L N -2.181 119.133 121.223 0.152 0.000 2.093 320 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 320 L C 2.488 179.491 176.870 0.222 0.000 1.085 320 L CA 1.441 56.386 54.840 0.175 0.000 0.755 320 L CB -0.566 41.585 42.059 0.152 0.000 0.904 320 L HN 0.507 nan 8.230 nan 0.000 0.435 321 F N 1.139 121.134 119.950 0.074 0.000 2.075 321 F HA -0.217 4.309 4.527 -0.000 0.000 0.297 321 F C 2.505 178.380 175.800 0.125 0.000 1.113 321 F CA 2.050 60.092 58.000 0.071 0.000 1.218 321 F CB -0.620 38.374 39.000 -0.009 0.000 0.984 321 F HN -0.077 nan 8.300 nan 0.000 0.472 322 T N 0.928 115.492 114.554 0.017 0.000 2.665 322 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 322 T C 2.210 176.844 174.700 -0.111 0.000 1.035 322 T CA 1.788 63.830 62.100 -0.096 0.000 1.151 322 T CB -1.023 67.873 68.868 0.045 0.000 0.862 322 T HN 0.392 nan 8.240 nan 0.000 0.438 323 A N 0.264 123.088 122.820 0.007 0.000 1.940 323 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 323 A C 2.047 179.641 177.584 0.018 0.000 1.176 323 A CA 1.746 53.799 52.037 0.028 0.000 0.631 323 A CB -1.150 17.908 19.000 0.097 0.000 0.814 323 A HN 0.726 nan 8.150 nan 0.000 0.446 324 W N 1.560 122.762 121.300 -0.163 0.000 2.355 324 W HA -0.221 4.439 4.660 -0.000 0.000 0.309 324 W C 2.622 178.920 176.519 -0.367 0.000 1.206 324 W CA 3.060 60.299 57.345 -0.177 0.000 1.284 324 W CB -0.586 28.807 29.460 -0.111 0.000 1.145 324 W HN 0.407 nan 8.180 nan 0.000 0.502 325 T N -1.240 112.975 114.554 -0.565 0.000 2.929 325 T HA -0.222 4.128 4.350 -0.000 0.000 0.271 325 T C 1.369 175.746 174.700 -0.538 0.000 1.085 325 T CA 1.680 63.144 62.100 -1.060 0.000 1.125 325 T CB -0.421 67.623 68.868 -1.373 0.000 0.874 325 T HN 0.442 nan 8.240 nan 0.000 0.494 326 Q N 0.553 120.165 119.800 -0.314 0.000 2.319 326 Q HA 0.596 4.936 4.340 -0.000 0.000 0.202 326 Q C 1.082 177.006 176.000 -0.127 0.000 0.896 326 Q CA 0.168 55.878 55.803 -0.156 0.000 0.942 326 Q CB 0.304 28.992 28.738 -0.083 0.000 1.083 326 Q HN 0.649 nan 8.270 nan 0.000 0.510 327 A N 1.353 124.057 122.820 -0.192 0.000 2.846 327 A HA -0.190 4.130 4.320 -0.000 0.000 0.287 327 A C 0.528 178.088 177.584 -0.040 0.000 1.469 327 A CA 0.721 52.681 52.037 -0.127 0.000 0.757 327 A CB -1.349 17.603 19.000 -0.080 0.000 1.033 327 A HN 0.365 nan 8.150 nan 0.000 0.516 328 Q N -0.715 119.054 119.800 -0.053 0.000 2.155 328 Q HA 0.119 4.459 4.340 -0.000 0.000 0.273 328 Q C 1.549 177.530 176.000 -0.033 0.000 0.857 328 Q CA 0.723 56.489 55.803 -0.062 0.000 1.116 328 Q CB 0.208 28.918 28.738 -0.047 0.000 1.209 328 Q HN 1.102 nan 8.270 nan 0.000 0.460 329 T N -3.827 110.741 114.554 0.024 0.000 2.985 329 T HA 0.062 4.412 4.350 -0.000 0.000 0.266 329 T C 1.452 176.276 174.700 0.208 0.000 1.076 329 T CA 1.253 63.447 62.100 0.157 0.000 1.135 329 T CB 0.166 69.094 68.868 0.100 0.000 0.890 329 T HN 0.440 nan 8.240 nan 0.000 0.480 330 G N 0.122 108.928 108.800 0.011 0.000 2.175 330 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 330 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 330 G C -0.234 174.728 174.900 0.103 0.000 0.982 330 G CA -0.026 45.010 45.100 -0.107 0.000 0.641 330 G HN 0.598 nan 8.290 nan 0.000 0.527 331 Y N 0.493 120.835 120.300 0.070 0.000 2.491 331 Y HA 0.460 5.010 4.550 -0.000 0.000 0.334 331 Y C -0.959 175.002 175.900 0.103 0.000 0.969 331 Y CA -2.076 56.055 58.100 0.051 0.000 1.241 331 Y CB 1.703 40.064 38.460 -0.166 0.000 1.105 331 Y HN -0.032 nan 8.280 nan 0.000 0.503 332 P HA -0.324 nan 4.420 nan 0.000 0.217 332 P C 2.134 179.518 177.300 0.139 0.000 1.162 332 P CA 1.943 65.121 63.100 0.131 0.000 0.901 332 P CB 0.273 31.979 31.700 0.010 0.000 0.793 333 I N -1.065 119.597 120.570 0.153 0.000 2.264 333 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 333 I C 2.076 178.279 176.117 0.144 0.000 1.111 333 I CA 1.493 62.900 61.300 0.178 0.000 1.382 333 I CB -1.346 36.751 38.000 0.162 0.000 1.060 333 I HN -0.161 nan 8.210 nan 0.000 0.418 334 V N 0.608 120.561 119.914 0.066 0.000 2.323 334 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 334 V C 2.370 178.441 176.094 -0.040 0.000 1.041 334 V CA 2.273 64.545 62.300 -0.047 0.000 1.025 334 V CB -0.947 30.670 31.823 -0.344 0.000 0.656 334 V HN 0.481 nan 8.190 nan 0.000 0.451 335 D N 0.647 121.061 120.400 0.022 0.000 2.144 335 D HA -0.099 4.540 4.640 -0.000 0.000 0.200 335 D C 2.213 178.532 176.300 0.033 0.000 0.978 335 D CA 1.589 55.609 54.000 0.033 0.000 0.833 335 D CB -0.271 40.643 40.800 0.189 0.000 0.961 335 D HN 0.431 nan 8.370 nan 0.000 0.470 336 A N 0.964 123.834 122.820 0.084 0.000 1.972 336 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 336 A C 2.285 179.852 177.584 -0.027 0.000 1.169 336 A CA 1.991 54.071 52.037 0.073 0.000 0.635 336 A CB -0.476 18.589 19.000 0.109 0.000 0.810 336 A HN 0.239 nan 8.150 nan 0.000 0.446 337 A N -0.892 121.975 122.820 0.078 0.000 1.872 337 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 337 A C 2.119 179.597 177.584 -0.177 0.000 1.187 337 A CA 1.729 53.772 52.037 0.011 0.000 0.614 337 A CB -0.438 18.593 19.000 0.053 0.000 0.826 337 A HN 0.390 nan 8.150 nan 0.000 0.442 338 M N -0.455 119.030 119.600 -0.191 0.000 2.213 338 M HA -0.064 4.416 4.480 -0.000 0.000 0.263 338 M C 2.113 178.275 176.300 -0.230 0.000 1.062 338 M CA 1.155 56.288 55.300 -0.278 0.000 1.105 338 M CB -1.198 31.145 32.600 -0.428 0.000 1.385 338 M HN 0.338 nan 8.290 nan 0.000 0.417 339 R N 0.066 120.455 120.500 -0.183 0.000 2.066 339 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 339 R C 2.115 178.255 176.300 -0.267 0.000 1.131 339 R CA 1.370 57.395 56.100 -0.125 0.000 0.955 339 R CB -0.724 29.585 30.300 0.016 0.000 0.851 339 R HN 0.565 nan 8.270 nan 0.000 0.432 340 Q N 0.790 120.209 119.800 -0.636 0.000 2.096 340 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 340 Q C 2.096 177.802 176.000 -0.490 0.000 0.982 340 Q CA 1.532 56.644 55.803 -1.153 0.000 0.850 340 Q CB -0.121 27.675 28.738 -1.570 0.000 0.901 340 Q HN 0.162 nan 8.270 nan 0.000 0.422 341 L N 0.778 121.790 121.223 -0.352 0.000 1.976 341 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 341 L C 2.529 179.328 176.870 -0.119 0.000 1.071 341 L CA 2.848 57.538 54.840 -0.249 0.000 0.746 341 L CB -1.321 40.551 42.059 -0.311 0.000 0.890 341 L HN 0.491 nan 8.230 nan 0.000 0.432 342 T N -3.614 110.860 114.554 -0.133 0.000 2.833 342 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 342 T C 1.666 176.449 174.700 0.139 0.000 1.054 342 T CA 1.597 63.671 62.100 -0.043 0.000 1.135 342 T CB -0.539 68.274 68.868 -0.093 0.000 0.869 342 T HN 0.564 nan 8.240 nan 0.000 0.466 343 E N 0.847 121.091 120.200 0.073 0.000 2.170 343 E HA -0.001 4.349 4.350 -0.000 0.000 0.191 343 E C 2.183 178.877 176.600 0.157 0.000 0.981 343 E CA 1.404 57.864 56.400 0.100 0.000 0.830 343 E CB 0.145 29.917 29.700 0.119 0.000 0.775 343 E HN 0.805 nan 8.360 nan 0.000 0.470 344 T N -3.992 110.694 114.554 0.221 0.000 3.003 344 T HA 0.297 4.647 4.350 -0.000 0.000 0.261 344 T C 1.425 176.410 174.700 0.474 0.000 1.003 344 T CA 0.319 62.623 62.100 0.340 0.000 0.917 344 T CB 0.966 69.977 68.868 0.238 0.000 1.084 344 T HN 0.197 nan 8.240 nan 0.000 0.522 345 G N 0.699 109.699 108.800 0.334 0.000 2.168 345 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.257 345 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.257 345 G C -0.260 174.709 174.900 0.114 0.000 0.997 345 G CA 0.321 45.465 45.100 0.073 0.000 0.708 345 G HN 0.755 nan 8.290 nan 0.000 0.520 346 W N -0.760 120.481 121.300 -0.098 0.000 3.167 346 W HA 0.769 5.429 4.660 -0.000 0.000 0.324 346 W C -0.826 175.589 176.519 -0.174 0.000 1.230 346 W CA -1.208 56.062 57.345 -0.124 0.000 1.184 346 W CB 1.218 30.657 29.460 -0.034 0.000 1.414 346 W HN 0.216 nan 8.180 nan 0.000 0.551 347 M N 4.447 123.454 119.600 -0.987 0.000 2.371 347 M HA 0.250 4.730 4.480 -0.000 0.000 0.287 347 M C -1.415 174.063 176.300 -1.370 0.000 1.149 347 M CA -0.854 53.932 55.300 -0.857 0.000 0.929 347 M CB 1.743 33.983 32.600 -0.601 0.000 1.683 347 M HN 0.676 nan 8.290 nan 0.000 0.470 348 H N 3.538 122.047 119.070 -0.934 0.000 2.964 348 H HA 0.054 4.610 4.556 -0.000 0.000 0.328 348 H C 0.999 175.989 175.328 -0.563 0.000 1.030 348 H CA 1.451 57.090 56.048 -0.681 0.000 1.445 348 H CB 0.721 30.321 29.762 -0.271 0.000 1.449 348 H HN 0.782 nan 8.280 nan 0.000 0.581 349 N N 3.452 121.672 118.700 -0.800 0.000 2.137 349 N HA -0.280 4.460 4.740 -0.000 0.000 0.190 349 N C 1.932 177.166 175.510 -0.460 0.000 1.017 349 N CA 1.338 54.028 53.050 -0.600 0.000 0.859 349 N CB 0.028 38.164 38.487 -0.585 0.000 1.002 349 N HN 0.606 nan 8.380 nan 0.000 0.428 350 R N 1.100 121.418 120.500 -0.304 0.000 2.096 350 R HA -0.013 4.327 4.340 -0.000 0.000 0.235 350 R C 2.350 178.521 176.300 -0.214 0.000 1.127 350 R CA 1.610 57.536 56.100 -0.291 0.000 0.968 350 R CB -1.175 28.945 30.300 -0.301 0.000 0.861 350 R HN 0.339 nan 8.270 nan 0.000 0.440 351 C N 0.246 119.446 119.300 -0.167 0.000 2.440 351 C HA 0.071 4.531 4.460 -0.000 0.000 0.278 351 C C 2.471 177.403 174.990 -0.097 0.000 1.295 351 C CA 0.773 59.708 59.018 -0.139 0.000 1.738 351 C CB -0.822 26.814 27.740 -0.174 0.000 1.987 351 C HN 0.515 nan 8.230 nan 0.000 0.492 352 R N 0.471 120.865 120.500 -0.177 0.000 2.081 352 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 352 R C 2.193 178.356 176.300 -0.229 0.000 1.131 352 R CA 1.361 57.412 56.100 -0.081 0.000 0.960 352 R CB -0.393 29.818 30.300 -0.148 0.000 0.856 352 R HN 0.550 nan 8.270 nan 0.000 0.436 353 M N 0.187 119.565 119.600 -0.371 0.000 2.108 353 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 353 M C 2.515 178.744 176.300 -0.119 0.000 1.066 353 M CA 1.562 56.585 55.300 -0.461 0.000 1.107 353 M CB -0.336 31.948 32.600 -0.528 0.000 1.356 353 M HN 0.030 nan 8.290 nan 0.000 0.406 354 I N -0.279 120.310 120.570 0.032 0.000 2.133 354 I HA -0.173 3.997 4.170 -0.000 0.000 0.238 354 I C 2.605 178.837 176.117 0.191 0.000 1.074 354 I CA 1.412 62.826 61.300 0.190 0.000 1.342 354 I CB -1.383 36.732 38.000 0.191 0.000 1.053 354 I HN 0.440 nan 8.210 nan 0.000 0.404 355 V N 0.168 120.205 119.914 0.206 0.000 2.490 355 V HA -0.144 3.976 4.120 -0.000 0.000 0.250 355 V C 2.486 178.853 176.094 0.456 0.000 1.061 355 V CA 1.784 64.348 62.300 0.440 0.000 1.064 355 V CB -1.714 30.399 31.823 0.484 0.000 0.670 355 V HN 0.432 nan 8.190 nan 0.000 0.461 356 A N 0.319 123.149 122.820 0.016 0.000 1.872 356 A HA -0.120 4.199 4.320 -0.000 0.000 0.214 356 A C 2.567 180.038 177.584 -0.187 0.000 1.187 356 A CA 2.012 53.784 52.037 -0.443 0.000 0.614 356 A CB -0.996 17.298 19.000 -1.176 0.000 0.826 356 A HN 0.611 nan 8.150 nan 0.000 0.442 357 S N -1.404 114.196 115.700 -0.166 0.000 2.368 357 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 357 S C 1.782 176.328 174.600 -0.090 0.000 1.030 357 S CA 1.694 59.735 58.200 -0.266 0.000 0.999 357 S CB -0.547 62.388 63.200 -0.443 0.000 0.844 357 S HN 0.531 nan 8.310 nan 0.000 0.459 358 F N 1.663 121.583 119.950 -0.049 0.000 2.075 358 F HA -0.043 4.484 4.527 -0.000 0.000 0.297 358 F C 1.948 177.713 175.800 -0.059 0.000 1.113 358 F CA 1.697 59.688 58.000 -0.014 0.000 1.218 358 F CB -0.652 38.391 39.000 0.072 0.000 0.984 358 F HN 0.299 nan 8.300 nan 0.000 0.472 359 L N -0.081 121.161 121.223 0.032 0.000 2.042 359 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 359 L C 2.223 178.998 176.870 -0.158 0.000 1.076 359 L CA 2.546 57.212 54.840 -0.289 0.000 0.749 359 L CB -1.189 40.449 42.059 -0.700 0.000 0.893 359 L HN 0.215 nan 8.230 nan 0.000 0.432 360 T N -0.733 113.790 114.554 -0.051 0.000 2.809 360 T HA -0.058 4.292 4.350 -0.000 0.000 0.260 360 T C 1.861 176.590 174.700 0.048 0.000 1.039 360 T CA 1.061 63.200 62.100 0.065 0.000 1.141 360 T CB 0.002 68.908 68.868 0.064 0.000 0.869 360 T HN 0.187 nan 8.240 nan 0.000 0.437 361 K N 1.285 121.531 120.400 -0.257 0.000 2.044 361 K HA 0.068 4.388 4.320 -0.000 0.000 0.204 361 K C 1.935 178.401 176.600 -0.224 0.000 1.049 361 K CA 1.278 57.255 56.287 -0.517 0.000 0.945 361 K CB -0.497 31.672 32.500 -0.552 0.000 0.724 361 K HN 0.316 nan 8.250 nan 0.000 0.440 362 D N 0.909 121.121 120.400 -0.313 0.000 2.106 362 D HA -0.004 4.636 4.640 -0.000 0.000 0.203 362 D C 1.896 178.023 176.300 -0.288 0.000 0.977 362 D CA 0.775 54.532 54.000 -0.406 0.000 0.844 362 D CB 0.007 40.176 40.800 -1.053 0.000 1.002 362 D HN -0.021 nan 8.370 nan 0.000 0.461 363 L N 0.481 121.497 121.223 -0.345 0.000 2.478 363 L HA 0.064 4.404 4.340 -0.000 0.000 0.223 363 L C 0.371 177.281 176.870 0.066 0.000 1.140 363 L CA -0.031 54.738 54.840 -0.118 0.000 0.842 363 L CB -0.223 41.773 42.059 -0.105 0.000 0.953 363 L HN -0.022 nan 8.230 nan 0.000 0.452 364 I N -0.354 120.324 120.570 0.180 0.000 6.833 364 I HA -0.196 3.973 4.170 -0.000 0.000 0.126 364 I C 0.050 176.434 176.117 0.446 0.000 1.810 364 I CA 0.079 61.660 61.300 0.468 0.000 2.119 364 I CB -3.082 35.180 38.000 0.436 0.000 3.512 364 I HN 0.135 nan 8.210 nan 0.000 0.194 365 I N 0.664 121.361 120.570 0.212 0.000 2.404 365 I HA 0.439 4.609 4.170 -0.000 0.000 0.293 365 I C 0.759 176.584 176.117 -0.486 0.000 0.992 365 I CA -1.062 60.217 61.300 -0.036 0.000 1.149 365 I CB 1.616 39.536 38.000 -0.132 0.000 1.315 365 I HN 0.615 nan 8.210 nan 0.000 0.446 366 D N 5.626 125.504 120.400 -0.870 0.000 2.662 366 D HA -0.171 4.469 4.640 -0.000 0.000 0.237 366 D C 1.452 177.076 176.300 -1.126 0.000 1.154 366 D CA 0.160 53.094 54.000 -1.777 0.000 0.861 366 D CB 0.555 40.662 40.800 -1.155 0.000 1.146 366 D HN 0.833 nan 8.370 nan 0.000 0.518 367 W N 4.526 125.216 121.300 -1.017 0.000 2.480 367 W HA -0.132 4.528 4.660 -0.000 0.000 0.257 367 W C 1.203 177.286 176.519 -0.725 0.000 1.235 367 W CA -0.426 56.533 57.345 -0.643 0.000 1.218 367 W CB -0.544 28.787 29.460 -0.215 0.000 1.131 367 W HN 0.375 nan 8.180 nan 0.000 0.606 368 R N 0.554 120.669 120.500 -0.643 0.000 2.152 368 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 368 R C 2.443 178.485 176.300 -0.430 0.000 1.117 368 R CA 1.196 57.021 56.100 -0.458 0.000 0.981 368 R CB -0.207 29.747 30.300 -0.577 0.000 0.870 368 R HN -0.001 nan 8.270 nan 0.000 0.451 369 R N -0.457 119.714 120.500 -0.548 0.000 2.092 369 R HA -0.034 4.306 4.340 -0.000 0.000 0.231 369 R C 2.172 178.283 176.300 -0.315 0.000 1.119 369 R CA 1.448 57.216 56.100 -0.553 0.000 0.970 369 R CB -0.814 28.874 30.300 -1.020 0.000 0.864 369 R HN 0.343 nan 8.270 nan 0.000 0.440 370 G N 0.875 109.285 108.800 -0.651 0.000 2.394 370 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.215 370 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.215 370 G C 1.379 175.599 174.900 -1.134 0.000 1.165 370 G CA 0.501 45.018 45.100 -0.972 0.000 0.784 370 G HN 0.433 nan 8.290 nan 0.000 0.535 371 E N 0.185 119.488 120.200 -1.495 0.000 2.085 371 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 371 E C 2.317 178.818 176.600 -0.165 0.000 0.994 371 E CA 1.521 57.376 56.400 -0.908 0.000 0.801 371 E CB -0.252 29.216 29.700 -0.386 0.000 0.743 371 E HN 0.618 nan 8.360 nan 0.000 0.453 372 Q N -0.549 119.190 119.800 -0.102 0.000 2.079 372 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 372 Q C 2.046 178.183 176.000 0.228 0.000 0.974 372 Q CA 1.569 57.408 55.803 0.060 0.000 0.840 372 Q CB -0.280 28.475 28.738 0.029 0.000 0.898 372 Q HN 0.386 nan 8.270 nan 0.000 0.430 373 F N 0.026 120.127 119.950 0.252 0.000 2.171 373 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 373 F C 1.541 177.687 175.800 0.578 0.000 1.090 373 F CA 1.052 59.337 58.000 0.476 0.000 1.293 373 F CB -0.187 39.209 39.000 0.660 0.000 1.013 373 F HN 0.119 nan 8.300 nan 0.000 0.486 374 F N -0.201 119.938 119.950 0.315 0.000 2.102 374 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 374 F C 2.372 178.212 175.800 0.066 0.000 1.105 374 F CA 1.173 59.315 58.000 0.236 0.000 1.239 374 F CB -0.945 38.311 39.000 0.427 0.000 0.991 374 F HN -0.055 nan 8.300 nan 0.000 0.474 375 M N -0.383 119.366 119.600 0.247 0.000 2.213 375 M HA -0.202 4.278 4.480 -0.000 0.000 0.263 375 M C 1.813 178.094 176.300 -0.031 0.000 1.062 375 M CA 1.438 56.791 55.300 0.088 0.000 1.105 375 M CB -1.328 31.316 32.600 0.073 0.000 1.385 375 M HN 0.273 nan 8.290 nan 0.000 0.417 376 Q N -1.521 118.226 119.800 -0.088 0.000 2.472 376 Q HA -0.078 4.262 4.340 -0.000 0.000 0.208 376 Q C 0.967 176.558 176.000 -0.681 0.000 0.958 376 Q CA 0.644 56.261 55.803 -0.310 0.000 0.932 376 Q CB 0.238 28.799 28.738 -0.294 0.000 1.007 376 Q HN 0.636 nan 8.270 nan 0.000 0.508 377 H N -1.662 117.248 119.070 -0.267 0.000 3.794 377 H HA 0.211 4.767 4.556 -0.000 0.000 0.258 377 H C -0.048 175.117 175.328 -0.273 0.000 1.120 377 H CA -0.118 55.748 56.048 -0.303 0.000 1.166 377 H CB 0.990 30.494 29.762 -0.431 0.000 1.517 377 H HN 0.068 nan 8.280 nan 0.000 0.615 378 L N 1.917 123.059 121.223 -0.135 0.000 2.360 378 L HA 0.043 4.383 4.340 -0.000 0.000 0.276 378 L C 1.704 178.509 176.870 -0.109 0.000 1.121 378 L CA -0.074 54.681 54.840 -0.143 0.000 0.845 378 L CB 1.980 43.959 42.059 -0.133 0.000 1.143 378 L HN -0.015 nan 8.230 nan 0.000 0.452 379 V N 2.625 122.490 119.914 -0.082 0.000 2.759 379 V HA -0.177 3.943 4.120 -0.000 0.000 0.256 379 V C 1.317 177.405 176.094 -0.011 0.000 1.080 379 V CA 2.155 64.428 62.300 -0.045 0.000 1.101 379 V CB -0.298 31.537 31.823 0.018 0.000 0.698 379 V HN 1.056 nan 8.190 nan 0.000 0.477 380 D N -0.586 119.800 120.400 -0.023 0.000 2.402 380 D HA 0.186 4.826 4.640 -0.000 0.000 0.216 380 D C 1.087 177.335 176.300 -0.086 0.000 1.128 380 D CA 0.262 54.224 54.000 -0.063 0.000 0.833 380 D CB -0.517 40.279 40.800 -0.008 0.000 0.971 380 D HN 0.334 nan 8.370 nan 0.000 0.503 381 G N 0.818 109.581 108.800 -0.063 0.000 2.113 381 G HA2 0.151 4.111 3.960 -0.000 0.000 0.263 381 G HA3 0.151 4.111 3.960 -0.000 0.000 0.263 381 G C -0.661 174.201 174.900 -0.063 0.000 0.954 381 G CA 0.173 45.252 45.100 -0.035 0.000 0.996 381 G HN 0.341 nan 8.290 nan 0.000 0.381 382 D N 1.829 122.208 120.400 -0.035 0.000 2.788 382 D HA 0.252 4.892 4.640 -0.000 0.000 0.247 382 D C 1.129 177.428 176.300 -0.002 0.000 1.236 382 D CA -0.861 53.112 54.000 -0.045 0.000 0.898 382 D CB 1.303 42.065 40.800 -0.064 0.000 1.401 382 D HN 0.102 nan 8.370 nan 0.000 0.549 383 L N 4.771 126.001 121.223 0.012 0.000 1.978 383 L HA -0.093 4.247 4.340 -0.000 0.000 0.218 383 L C 2.026 178.911 176.870 0.024 0.000 1.075 383 L CA 2.806 57.668 54.840 0.036 0.000 0.767 383 L CB -0.912 41.178 42.059 0.051 0.000 0.890 383 L HN 0.641 nan 8.230 nan 0.000 0.434 384 A N -0.844 121.992 122.820 0.027 0.000 1.883 384 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 384 A C 2.404 179.953 177.584 -0.059 0.000 1.186 384 A CA 2.383 54.436 52.037 0.027 0.000 0.624 384 A CB -1.258 17.790 19.000 0.079 0.000 0.822 384 A HN 0.640 nan 8.150 nan 0.000 0.444 385 A N -0.356 122.423 122.820 -0.069 0.000 1.898 385 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 385 A C 1.979 179.425 177.584 -0.231 0.000 1.183 385 A CA 1.875 53.804 52.037 -0.179 0.000 0.622 385 A CB -0.646 18.299 19.000 -0.091 0.000 0.824 385 A HN 0.593 nan 8.150 nan 0.000 0.444 386 N N 0.559 119.215 118.700 -0.073 0.000 2.106 386 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 386 N C 1.735 177.273 175.510 0.046 0.000 1.029 386 N CA 1.745 54.828 53.050 0.055 0.000 0.848 386 N CB -0.391 38.205 38.487 0.182 0.000 1.007 386 N HN 0.536 nan 8.380 nan 0.000 0.423 387 N N -0.221 118.470 118.700 -0.015 0.000 2.166 387 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 387 N C 1.724 177.084 175.510 -0.250 0.000 1.019 387 N CA 1.374 54.391 53.050 -0.055 0.000 0.856 387 N CB -0.415 38.086 38.487 0.022 0.000 0.993 387 N HN 0.374 nan 8.380 nan 0.000 0.426 388 G N 0.021 108.592 108.800 -0.382 0.000 2.418 388 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 388 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 388 G C 1.537 176.070 174.900 -0.613 0.000 1.158 388 G CA 1.035 45.726 45.100 -0.680 0.000 0.771 388 G HN 0.458 nan 8.290 nan 0.000 0.545 389 G N -0.143 108.294 108.800 -0.605 0.000 2.418 389 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 389 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 389 G C 1.591 176.131 174.900 -0.600 0.000 1.158 389 G CA 0.760 45.495 45.100 -0.609 0.000 0.771 389 G HN 0.510 nan 8.290 nan 0.000 0.545 390 W N 0.570 121.526 121.300 -0.574 0.000 2.476 390 W HA 0.135 4.795 4.660 -0.000 0.000 0.281 390 W C 2.936 178.600 176.519 -1.425 0.000 1.230 390 W CA 0.538 57.335 57.345 -0.913 0.000 1.287 390 W CB 0.146 29.024 29.460 -0.969 0.000 1.108 390 W HN 0.136 nan 8.180 nan 0.000 0.567 391 Q N -0.950 118.276 119.800 -0.957 0.000 2.167 391 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 391 Q C 1.879 177.613 176.000 -0.443 0.000 0.970 391 Q CA 1.538 56.928 55.803 -0.688 0.000 0.855 391 Q CB -0.987 27.598 28.738 -0.255 0.000 0.911 391 Q HN 0.563 nan 8.270 nan 0.000 0.438 392 W N 2.076 123.064 121.300 -0.520 0.000 2.363 392 W HA -0.195 4.464 4.660 -0.000 0.000 0.296 392 W C 2.191 178.418 176.519 -0.487 0.000 1.212 392 W CA 1.998 59.096 57.345 -0.410 0.000 1.260 392 W CB -0.189 29.028 29.460 -0.405 0.000 1.131 392 W HN 0.127 nan 8.180 nan 0.000 0.530 393 S N 0.066 115.416 115.700 -0.583 0.000 2.584 393 S HA 0.083 4.553 4.470 -0.000 0.000 0.240 393 S C 1.245 175.367 174.600 -0.796 0.000 0.975 393 S CA 0.916 58.609 58.200 -0.846 0.000 0.949 393 S CB -0.365 62.548 63.200 -0.479 0.000 0.761 393 S HN 0.426 nan 8.310 nan 0.000 0.536 394 A N -0.466 121.895 122.820 -0.765 0.000 2.701 394 A HA 0.660 4.980 4.320 -0.000 0.000 0.241 394 A C 0.885 177.953 177.584 -0.860 0.000 1.231 394 A CA 0.241 51.773 52.037 -0.843 0.000 1.003 394 A CB -0.233 18.236 19.000 -0.885 0.000 1.281 394 A HN 0.643 nan 8.150 nan 0.000 0.600 395 S N 0.270 115.604 115.700 -0.611 0.000 3.581 395 S HA -0.196 4.273 4.470 -0.000 0.000 0.354 395 S C 1.160 175.600 174.600 -0.267 0.000 1.059 395 S CA 1.101 59.106 58.200 -0.325 0.000 1.060 395 S CB -1.783 61.312 63.200 -0.175 0.000 0.908 395 S HN 1.565 nan 8.310 nan 0.000 0.475 396 S N -1.037 114.416 115.700 -0.411 0.000 2.575 396 S HA 0.472 4.942 4.470 -0.000 0.000 0.215 396 S C 1.090 175.806 174.600 0.192 0.000 0.966 396 S CA 0.310 58.387 58.200 -0.205 0.000 0.911 396 S CB 0.727 63.815 63.200 -0.187 0.000 0.780 396 S HN 0.837 nan 8.310 nan 0.000 0.514 397 G N 1.374 110.252 108.800 0.129 0.000 3.392 397 G HA2 0.521 4.481 3.960 -0.000 0.000 0.185 397 G HA3 0.521 4.481 3.960 -0.000 0.000 0.185 397 G C -0.196 174.799 174.900 0.159 0.000 1.206 397 G CA -0.729 44.477 45.100 0.177 0.000 0.776 397 G HN 0.186 nan 8.290 nan 0.000 0.697 398 M N 0.856 120.531 119.600 0.125 0.000 2.207 398 M HA 0.203 4.683 4.480 -0.000 0.000 0.311 398 M C 0.259 176.769 176.300 0.350 0.000 1.127 398 M CA 0.195 55.632 55.300 0.228 0.000 1.181 398 M CB 0.191 32.929 32.600 0.231 0.000 1.409 398 M HN 0.638 nan 8.290 nan 0.000 0.461 399 D N 1.393 122.036 120.400 0.405 0.000 2.755 399 D HA -0.112 4.528 4.640 -0.000 0.000 0.227 399 D C -2.143 174.306 176.300 0.248 0.000 1.211 399 D CA 0.173 54.377 54.000 0.341 0.000 0.663 399 D CB -0.471 40.566 40.800 0.396 0.000 0.983 399 D HN 0.281 nan 8.370 nan 0.000 0.407 400 P HA 0.130 nan 4.420 nan 0.000 0.271 400 P C -0.303 177.067 177.300 0.118 0.000 1.218 400 P CA 0.033 63.218 63.100 0.141 0.000 0.780 400 P CB 0.920 32.723 31.700 0.171 0.000 0.901 401 K N 2.054 122.491 120.400 0.062 0.000 2.400 401 K HA 0.555 4.875 4.320 -0.000 0.000 0.246 401 K C -2.472 174.154 176.600 0.042 0.000 0.995 401 K CA -2.181 54.138 56.287 0.053 0.000 0.840 401 K CB 0.150 32.665 32.500 0.025 0.000 1.293 401 K HN 0.253 nan 8.250 nan 0.000 0.445 402 P HA 0.017 nan 4.420 nan 0.000 0.267 402 P C -0.276 177.022 177.300 -0.003 0.000 1.200 402 P CA -0.548 62.586 63.100 0.055 0.000 0.772 402 P CB 0.305 32.040 31.700 0.058 0.000 0.855 403 L N 3.171 124.380 121.223 -0.023 0.000 2.615 403 L HA 0.040 4.380 4.340 -0.000 0.000 0.284 403 L C 0.441 177.248 176.870 -0.104 0.000 1.237 403 L CA 1.262 56.015 54.840 -0.145 0.000 0.905 403 L CB -0.383 41.489 42.059 -0.310 0.000 1.149 403 L HN 0.396 nan 8.230 nan 0.000 0.499 404 R N 3.828 124.236 120.500 -0.152 0.000 2.594 404 R HA 0.657 4.997 4.340 -0.000 0.000 0.265 404 R C -2.087 174.133 176.300 -0.133 0.000 1.070 404 R CA -0.661 55.387 56.100 -0.087 0.000 0.909 404 R CB 1.541 31.824 30.300 -0.028 0.000 1.243 404 R HN 0.450 nan 8.270 nan 0.000 0.455 405 I N 3.933 124.491 120.570 -0.020 0.000 2.439 405 I HA 0.447 4.617 4.170 -0.000 0.000 0.285 405 I C -0.358 175.907 176.117 0.246 0.000 1.021 405 I CA -1.009 60.288 61.300 -0.004 0.000 1.091 405 I CB 1.083 39.049 38.000 -0.056 0.000 1.242 405 I HN 0.480 nan 8.210 nan 0.000 0.439 406 F N 4.017 123.953 119.950 -0.022 0.000 2.529 406 F HA 0.240 4.767 4.527 -0.000 0.000 0.365 406 F C 1.121 176.961 175.800 0.068 0.000 1.102 406 F CA -0.155 57.871 58.000 0.043 0.000 1.271 406 F CB 0.330 39.368 39.000 0.062 0.000 1.120 406 F HN 0.540 nan 8.300 nan 0.000 0.579 407 N N 5.624 124.407 118.700 0.138 0.000 2.485 407 N HA 0.211 4.951 4.740 -0.000 0.000 0.243 407 N C -2.067 173.423 175.510 -0.032 0.000 0.987 407 N CA -1.947 51.053 53.050 -0.084 0.000 0.940 407 N CB 1.533 40.020 38.487 0.001 0.000 1.122 407 N HN 0.120 nan 8.380 nan 0.000 0.509 408 P HA -0.201 nan 4.420 nan 0.000 0.218 408 P C 0.896 178.267 177.300 0.118 0.000 1.154 408 P CA 1.820 65.008 63.100 0.146 0.000 0.872 408 P CB 0.286 32.160 31.700 0.289 0.000 0.790 409 A N -0.971 121.894 122.820 0.074 0.000 1.902 409 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 409 A C 2.338 179.936 177.584 0.024 0.000 1.181 409 A CA 2.234 54.304 52.037 0.055 0.000 0.623 409 A CB -1.470 17.555 19.000 0.043 0.000 0.818 409 A HN 0.158 nan 8.150 nan 0.000 0.443 410 S N -0.115 115.585 115.700 -0.001 0.000 2.368 410 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 410 S C 2.128 176.689 174.600 -0.064 0.000 1.030 410 S CA 1.371 59.546 58.200 -0.042 0.000 0.999 410 S CB -0.325 62.842 63.200 -0.056 0.000 0.844 410 S HN 0.597 nan 8.310 nan 0.000 0.459 411 Q N 1.128 120.926 119.800 -0.002 0.000 2.050 411 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 411 Q C 2.624 178.712 176.000 0.145 0.000 0.980 411 Q CA 1.487 57.356 55.803 0.110 0.000 0.840 411 Q CB -0.742 28.112 28.738 0.194 0.000 0.898 411 Q HN 0.576 nan 8.270 nan 0.000 0.424 412 A N 1.691 124.579 122.820 0.113 0.000 1.883 412 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 412 A C 2.150 179.765 177.584 0.051 0.000 1.186 412 A CA 2.006 54.108 52.037 0.108 0.000 0.624 412 A CB -0.532 18.528 19.000 0.100 0.000 0.822 412 A HN 0.321 nan 8.150 nan 0.000 0.444 413 K N -0.342 120.057 120.400 -0.001 0.000 2.097 413 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 413 K C 2.182 178.720 176.600 -0.103 0.000 1.049 413 K CA 1.743 58.006 56.287 -0.040 0.000 0.933 413 K CB -0.172 32.300 32.500 -0.047 0.000 0.717 413 K HN 0.444 nan 8.250 nan 0.000 0.442 414 K N -0.572 119.700 120.400 -0.213 0.000 2.031 414 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 414 K C 1.235 177.543 176.600 -0.487 0.000 1.049 414 K CA 1.354 57.356 56.287 -0.474 0.000 0.939 414 K CB 0.052 32.045 32.500 -0.845 0.000 0.717 414 K HN 0.107 nan 8.250 nan 0.000 0.438 415 F N -0.562 119.446 119.950 0.098 0.000 2.678 415 F HA 0.178 4.705 4.527 -0.000 0.000 0.305 415 F C 0.168 176.089 175.800 0.201 0.000 1.090 415 F CA -0.239 57.884 58.000 0.205 0.000 1.272 415 F CB 0.667 39.685 39.000 0.029 0.000 1.060 415 F HN -0.045 nan 8.300 nan 0.000 0.576 416 D N -0.424 120.093 120.400 0.195 0.000 3.100 416 D HA 0.375 5.015 4.640 -0.000 0.000 0.350 416 D C 1.349 177.678 176.300 0.049 0.000 1.310 416 D CA 0.239 54.313 54.000 0.124 0.000 0.741 416 D CB 0.168 41.056 40.800 0.146 0.000 1.248 416 D HN 0.020 nan 8.370 nan 0.000 0.527 417 A N -0.387 122.430 122.820 -0.005 0.000 1.958 417 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 417 A C 1.967 179.533 177.584 -0.031 0.000 1.178 417 A CA 2.349 54.364 52.037 -0.038 0.000 0.642 417 A CB -0.704 18.248 19.000 -0.080 0.000 0.816 417 A HN 0.453 nan 8.150 nan 0.000 0.453 418 T N -4.418 110.115 114.554 -0.035 0.000 3.122 418 T HA 0.505 4.855 4.350 -0.000 0.000 0.250 418 T C 0.940 175.632 174.700 -0.013 0.000 1.067 418 T CA 0.946 63.027 62.100 -0.033 0.000 0.966 418 T CB 0.012 68.850 68.868 -0.050 0.000 1.002 418 T HN 1.786 nan 8.240 nan 0.000 0.542 419 A N 0.714 123.544 122.820 0.017 0.000 2.816 419 A HA -0.267 4.053 4.320 -0.000 0.000 0.270 419 A C 1.642 179.250 177.584 0.041 0.000 1.413 419 A CA 1.505 53.566 52.037 0.039 0.000 0.866 419 A CB -2.773 16.229 19.000 0.003 0.000 1.032 419 A HN 0.564 nan 8.150 nan 0.000 0.642 420 T N -1.798 112.783 114.554 0.045 0.000 2.720 420 T HA -0.181 4.168 4.350 -0.000 0.000 0.268 420 T C 1.492 176.238 174.700 0.077 0.000 1.037 420 T CA 1.983 64.103 62.100 0.032 0.000 1.144 420 T CB -0.286 68.598 68.868 0.027 0.000 0.864 420 T HN 0.792 nan 8.240 nan 0.000 0.444 421 Y N 1.569 121.894 120.300 0.041 0.000 2.200 421 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 421 Y C 2.388 178.377 175.900 0.147 0.000 1.137 421 Y CA 0.714 58.886 58.100 0.120 0.000 1.163 421 Y CB -0.550 37.998 38.460 0.147 0.000 0.988 421 Y HN 0.040 nan 8.280 nan 0.000 0.518 422 I N 0.501 121.187 120.570 0.194 0.000 2.099 422 I HA -0.316 3.853 4.170 -0.000 0.000 0.239 422 I C 2.358 178.444 176.117 -0.052 0.000 1.066 422 I CA 1.824 63.170 61.300 0.078 0.000 1.324 422 I CB -1.244 36.797 38.000 0.069 0.000 1.037 422 I HN 0.308 nan 8.210 nan 0.000 0.401 423 K N 0.003 120.361 120.400 -0.070 0.000 2.103 423 K HA -0.251 4.069 4.320 -0.000 0.000 0.207 423 K C 2.399 178.893 176.600 -0.177 0.000 1.048 423 K CA 1.844 58.062 56.287 -0.115 0.000 0.930 423 K CB -0.378 32.060 32.500 -0.102 0.000 0.716 423 K HN 0.386 nan 8.250 nan 0.000 0.444 424 R N 0.086 120.436 120.500 -0.249 0.000 2.083 424 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 424 R C 1.335 177.250 176.300 -0.642 0.000 1.137 424 R CA 1.914 57.730 56.100 -0.473 0.000 0.951 424 R CB -0.143 29.802 30.300 -0.590 0.000 0.851 424 R HN 0.296 nan 8.270 nan 0.000 0.434 425 W N -0.205 120.924 121.300 -0.286 0.000 3.278 425 W HA 0.265 4.925 4.660 -0.000 0.000 0.308 425 W C -0.020 176.405 176.519 -0.157 0.000 1.253 425 W CA -0.317 56.885 57.345 -0.238 0.000 1.759 425 W CB 0.593 29.847 29.460 -0.343 0.000 1.093 425 W HN -0.029 nan 8.180 nan 0.000 0.648 426 L N 2.459 123.670 121.223 -0.019 0.000 2.678 426 L HA 0.228 4.568 4.340 -0.000 0.000 0.250 426 L C -1.326 175.495 176.870 -0.081 0.000 1.455 426 L CA -1.260 53.555 54.840 -0.043 0.000 0.823 426 L CB 0.935 42.931 42.059 -0.105 0.000 1.107 426 L HN -0.272 nan 8.230 nan 0.000 0.514 427 P HA -0.222 nan 4.420 nan 0.000 0.219 427 P C 0.952 178.239 177.300 -0.021 0.000 1.146 427 P CA 1.267 64.326 63.100 -0.069 0.000 0.808 427 P CB 0.234 31.885 31.700 -0.082 0.000 0.779 428 E N -0.164 120.034 120.200 -0.002 0.000 2.516 428 E HA -0.071 4.279 4.350 -0.000 0.000 0.199 428 E C 0.729 177.397 176.600 0.113 0.000 1.069 428 E CA 0.490 56.917 56.400 0.045 0.000 0.876 428 E CB -0.446 29.287 29.700 0.054 0.000 0.843 428 E HN 0.250 nan 8.360 nan 0.000 0.530 429 L N 0.734 121.967 121.223 0.017 0.000 3.229 429 L HA 0.235 4.575 4.340 -0.000 0.000 0.286 429 L C 1.671 178.457 176.870 -0.140 0.000 1.239 429 L CA -0.125 54.655 54.840 -0.099 0.000 1.035 429 L CB 0.448 42.332 42.059 -0.291 0.000 1.408 429 L HN -0.053 nan 8.230 nan 0.000 0.593 430 R N 0.341 120.841 120.500 -0.000 0.000 2.148 430 R HA -0.121 4.218 4.340 -0.000 0.000 0.227 430 R C 1.953 178.229 176.300 -0.039 0.000 1.103 430 R CA 1.434 57.510 56.100 -0.040 0.000 0.983 430 R CB -0.057 30.231 30.300 -0.021 0.000 0.874 430 R HN 0.620 nan 8.270 nan 0.000 0.451 431 H N -1.172 117.858 119.070 -0.066 0.000 2.495 431 H HA 0.069 4.625 4.556 -0.000 0.000 0.287 431 H C 0.680 175.991 175.328 -0.028 0.000 1.033 431 H CA 0.080 56.098 56.048 -0.050 0.000 1.307 431 H CB -0.796 28.953 29.762 -0.022 0.000 1.401 431 H HN -0.154 nan 8.280 nan 0.000 0.555 432 V N 2.380 121.920 119.914 -0.623 0.000 3.096 432 V HA -0.026 4.094 4.120 -0.000 0.000 0.306 432 V C 0.126 176.141 176.094 -0.133 0.000 1.088 432 V CA -0.117 61.971 62.300 -0.352 0.000 1.129 432 V CB 0.575 32.164 31.823 -0.390 0.000 1.014 432 V HN 0.399 nan 8.190 nan 0.000 0.486 433 H N 4.149 123.136 119.070 -0.139 0.000 2.548 433 H HA 0.245 4.800 4.556 -0.000 0.000 0.331 433 H C -1.649 173.631 175.328 -0.081 0.000 1.093 433 H CA -1.660 54.336 56.048 -0.087 0.000 1.367 433 H CB 0.766 30.493 29.762 -0.059 0.000 1.455 433 H HN 0.364 nan 8.280 nan 0.000 0.519 434 P HA -0.281 nan 4.420 nan 0.000 0.218 434 P C 1.515 178.823 177.300 0.013 0.000 1.154 434 P CA 1.666 64.760 63.100 -0.010 0.000 0.872 434 P CB 0.383 32.070 31.700 -0.021 0.000 0.790 435 K N 0.172 120.596 120.400 0.040 0.000 2.034 435 K HA -0.212 4.107 4.320 -0.000 0.000 0.214 435 K C 1.627 178.234 176.600 0.012 0.000 1.051 435 K CA 2.165 58.468 56.287 0.026 0.000 0.931 435 K CB -1.080 31.440 32.500 0.034 0.000 0.715 435 K HN 0.092 nan 8.250 nan 0.000 0.446 436 D N -0.142 120.266 120.400 0.014 0.000 2.194 436 D HA -0.068 4.572 4.640 -0.000 0.000 0.204 436 D C 1.961 178.252 176.300 -0.016 0.000 0.964 436 D CA 0.896 54.892 54.000 -0.007 0.000 0.846 436 D CB 0.005 40.796 40.800 -0.015 0.000 0.962 436 D HN 0.244 nan 8.370 nan 0.000 0.490 437 L N 0.668 121.876 121.223 -0.025 0.000 2.201 437 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 437 L C 2.622 179.491 176.870 -0.000 0.000 1.105 437 L CA 0.404 55.221 54.840 -0.037 0.000 0.775 437 L CB -0.221 41.803 42.059 -0.057 0.000 0.913 437 L HN -0.019 nan 8.230 nan 0.000 0.440 438 I N -0.944 119.631 120.570 0.009 0.000 2.400 438 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 438 I C 2.739 178.870 176.117 0.024 0.000 1.109 438 I CA 1.223 62.538 61.300 0.026 0.000 1.425 438 I CB -0.638 37.372 38.000 0.017 0.000 1.094 438 I HN 0.515 nan 8.210 nan 0.000 0.425 439 S N 0.299 116.005 115.700 0.009 0.000 2.453 439 S HA 0.111 4.581 4.470 -0.000 0.000 0.231 439 S C 1.969 176.560 174.600 -0.015 0.000 1.005 439 S CA 0.834 59.038 58.200 0.007 0.000 0.949 439 S CB -0.272 62.929 63.200 0.003 0.000 0.774 439 S HN 1.295 nan 8.310 nan 0.000 0.510 440 G N 1.008 109.792 108.800 -0.028 0.000 2.162 440 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 440 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 440 G C -0.293 174.561 174.900 -0.077 0.000 0.976 440 G CA 0.273 45.325 45.100 -0.080 0.000 0.655 440 G HN 0.649 nan 8.290 nan 0.000 0.533 441 E N 0.370 120.549 120.200 -0.035 0.000 2.028 441 E HA 0.484 4.834 4.350 -0.000 0.000 0.266 441 E C -0.168 176.430 176.600 -0.004 0.000 0.962 441 E CA -0.473 55.916 56.400 -0.019 0.000 0.784 441 E CB 1.231 30.925 29.700 -0.009 0.000 1.114 441 E HN 0.266 nan 8.360 nan 0.000 0.414 442 I N 1.536 122.115 120.570 0.015 0.000 2.433 442 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 442 I C 0.733 176.872 176.117 0.038 0.000 1.001 442 I CA -1.187 60.129 61.300 0.026 0.000 1.119 442 I CB 1.249 39.282 38.000 0.055 0.000 1.289 442 I HN 0.534 nan 8.210 nan 0.000 0.438 443 T N 3.369 117.941 114.554 0.028 0.000 2.902 443 T HA 0.150 4.500 4.350 -0.000 0.000 0.301 443 T C -1.552 173.181 174.700 0.054 0.000 1.012 443 T CA -0.875 61.245 62.100 0.033 0.000 1.151 443 T CB 0.551 69.433 68.868 0.024 0.000 0.946 443 T HN 0.454 nan 8.240 nan 0.000 0.542 444 P HA -0.247 nan 4.420 nan 0.000 0.216 444 P C 1.881 179.222 177.300 0.069 0.000 1.167 444 P CA 1.042 64.177 63.100 0.057 0.000 0.933 444 P CB -0.195 31.530 31.700 0.041 0.000 0.793 445 I N -0.461 120.143 120.570 0.058 0.000 2.118 445 I HA -0.263 3.907 4.170 -0.000 0.000 0.241 445 I C 2.273 178.446 176.117 0.093 0.000 1.070 445 I CA 2.175 63.511 61.300 0.060 0.000 1.327 445 I CB -1.412 36.615 38.000 0.045 0.000 1.034 445 I HN 0.103 nan 8.210 nan 0.000 0.405 446 E N -0.515 119.754 120.200 0.115 0.000 2.347 446 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 446 E C 2.364 179.123 176.600 0.265 0.000 1.008 446 E CA 0.609 57.132 56.400 0.205 0.000 0.852 446 E CB -0.227 29.553 29.700 0.133 0.000 0.783 446 E HN 0.586 nan 8.360 nan 0.000 0.505 447 R N -0.088 120.515 120.500 0.172 0.000 2.240 447 R HA -0.048 4.292 4.340 -0.000 0.000 0.203 447 R C 0.558 176.983 176.300 0.208 0.000 1.011 447 R CA 0.288 56.504 56.100 0.193 0.000 1.007 447 R CB 0.110 30.511 30.300 0.168 0.000 0.911 447 R HN -0.034 nan 8.270 nan 0.000 0.468 448 R N -2.133 118.460 120.500 0.155 0.000 3.793 448 R HA -0.247 4.092 4.340 -0.000 0.000 0.464 448 R C 1.305 177.668 176.300 0.106 0.000 0.241 448 R CA 1.972 58.135 56.100 0.105 0.000 1.464 448 R CB -1.829 28.523 30.300 0.086 0.000 0.954 448 R HN 0.407 nan 8.270 nan 0.000 0.583 449 G N -1.623 107.244 108.800 0.112 0.000 2.777 449 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.211 449 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.211 449 G C -0.192 174.786 174.900 0.131 0.000 1.149 449 G CA 0.300 45.459 45.100 0.098 0.000 0.785 449 G HN 0.418 nan 8.290 nan 0.000 0.536 450 Y N 3.767 124.095 120.300 0.046 0.000 2.721 450 Y HA 0.194 4.744 4.550 -0.000 0.000 0.329 450 Y C -1.609 174.314 175.900 0.038 0.000 1.211 450 Y CA -2.628 55.498 58.100 0.042 0.000 1.512 450 Y CB 0.554 39.041 38.460 0.045 0.000 1.249 450 Y HN 0.038 nan 8.280 nan 0.000 0.549 451 P HA 0.136 nan 4.420 nan 0.000 0.270 451 P C -1.055 176.033 177.300 -0.354 0.000 1.223 451 P CA -0.179 62.722 63.100 -0.331 0.000 0.785 451 P CB 0.798 32.327 31.700 -0.285 0.000 0.923 452 A N 2.727 125.464 122.820 -0.137 0.000 2.271 452 A HA 0.531 4.851 4.320 -0.000 0.000 0.288 452 A C -2.197 175.359 177.584 -0.045 0.000 1.094 452 A CA -1.783 50.216 52.037 -0.065 0.000 0.828 452 A CB -1.285 17.711 19.000 -0.007 0.000 1.091 452 A HN 0.392 nan 8.150 nan 0.000 0.493 453 P HA 0.002 nan 4.420 nan 0.000 0.262 453 P C 1.104 178.527 177.300 0.206 0.000 1.182 453 P CA 0.325 63.472 63.100 0.078 0.000 0.761 453 P CB 0.159 31.820 31.700 -0.066 0.000 0.795 454 I N 1.390 122.154 120.570 0.324 0.000 3.111 454 I HA 0.073 4.243 4.170 -0.000 0.000 0.272 454 I C 0.720 176.993 176.117 0.259 0.000 1.268 454 I CA 0.418 61.868 61.300 0.250 0.000 1.467 454 I CB -1.441 36.705 38.000 0.243 0.000 1.087 454 I HN 0.253 nan 8.210 nan 0.000 0.467 455 V N -2.358 117.776 119.914 0.366 0.000 3.147 455 V HA 0.552 4.672 4.120 -0.000 0.000 0.306 455 V C -0.640 175.664 176.094 0.350 0.000 1.209 455 V CA -0.958 61.511 62.300 0.283 0.000 1.023 455 V CB 1.648 33.589 31.823 0.196 0.000 1.059 455 V HN 0.395 nan 8.190 nan 0.000 0.435 456 N N 0.921 119.765 118.700 0.240 0.000 2.437 456 N HA 0.172 4.911 4.740 -0.000 0.000 0.243 456 N C 0.781 176.442 175.510 0.253 0.000 1.041 456 N CA 0.032 53.225 53.050 0.238 0.000 0.940 456 N CB 0.949 39.524 38.487 0.146 0.000 1.133 456 N HN 1.069 nan 8.380 nan 0.000 0.506 457 H N 4.535 123.774 119.070 0.283 0.000 2.321 457 H HA -0.201 4.355 4.556 -0.000 0.000 0.295 457 H C 1.422 176.833 175.328 0.137 0.000 1.102 457 H CA 2.612 58.794 56.048 0.222 0.000 1.266 457 H CB 0.062 30.008 29.762 0.308 0.000 1.363 457 H HN 0.669 nan 8.280 nan 0.000 0.492 458 N N -0.309 118.405 118.700 0.024 0.000 2.104 458 N HA -0.116 4.624 4.740 -0.000 0.000 0.190 458 N C 1.989 177.469 175.510 -0.049 0.000 1.024 458 N CA 1.498 54.518 53.050 -0.051 0.000 0.853 458 N CB -0.268 38.252 38.487 0.056 0.000 1.008 458 N HN 0.453 nan 8.380 nan 0.000 0.424 459 L N -0.222 121.006 121.223 0.009 0.000 2.109 459 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 459 L C 2.368 179.243 176.870 0.009 0.000 1.086 459 L CA 0.681 55.532 54.840 0.019 0.000 0.760 459 L CB -0.278 41.809 42.059 0.046 0.000 0.910 459 L HN 0.136 nan 8.230 nan 0.000 0.437 460 R N 0.021 120.517 120.500 -0.007 0.000 2.075 460 R HA -0.183 4.157 4.340 -0.000 0.000 0.232 460 R C 2.062 178.361 176.300 -0.002 0.000 1.126 460 R CA 1.245 57.347 56.100 0.004 0.000 0.963 460 R CB -0.788 29.497 30.300 -0.024 0.000 0.858 460 R HN 0.465 nan 8.270 nan 0.000 0.435 461 Q N 1.259 120.975 119.800 -0.140 0.000 2.061 461 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 461 Q C 1.719 177.734 176.000 0.026 0.000 0.984 461 Q CA 1.842 57.572 55.803 -0.121 0.000 0.846 461 Q CB 0.092 28.654 28.738 -0.293 0.000 0.902 461 Q HN 0.277 nan 8.270 nan 0.000 0.421 462 K N 0.011 120.418 120.400 0.012 0.000 2.057 462 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 462 K C 2.239 178.882 176.600 0.072 0.000 1.050 462 K CA 1.463 57.776 56.287 0.043 0.000 0.935 462 K CB -0.182 32.332 32.500 0.024 0.000 0.715 462 K HN 0.334 nan 8.250 nan 0.000 0.439 463 Q N 0.346 120.189 119.800 0.072 0.000 2.061 463 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 463 Q C 2.015 178.081 176.000 0.109 0.000 0.984 463 Q CA 1.617 57.461 55.803 0.067 0.000 0.846 463 Q CB -0.143 28.635 28.738 0.066 0.000 0.902 463 Q HN 0.245 nan 8.270 nan 0.000 0.421 464 F N 1.153 121.144 119.950 0.069 0.000 2.102 464 F HA -0.172 4.354 4.527 -0.000 0.000 0.298 464 F C 2.027 177.936 175.800 0.182 0.000 1.105 464 F CA 1.714 59.814 58.000 0.167 0.000 1.239 464 F CB -0.022 39.058 39.000 0.133 0.000 0.991 464 F HN -0.024 nan 8.300 nan 0.000 0.474 465 K N 0.054 120.677 120.400 0.372 0.000 2.063 465 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 465 K C 2.297 179.000 176.600 0.171 0.000 1.048 465 K CA 1.266 57.721 56.287 0.280 0.000 0.928 465 K CB -0.624 31.984 32.500 0.181 0.000 0.713 465 K HN 0.352 nan 8.250 nan 0.000 0.442 466 A N 1.689 124.559 122.820 0.082 0.000 1.865 466 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 466 A C 2.185 179.725 177.584 -0.074 0.000 1.191 466 A CA 1.427 53.465 52.037 0.003 0.000 0.623 466 A CB -0.804 18.185 19.000 -0.018 0.000 0.826 466 A HN 0.164 nan 8.150 nan 0.000 0.444 467 L N -2.267 118.865 121.223 -0.151 0.000 2.012 467 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 467 L C 2.608 179.284 176.870 -0.324 0.000 1.073 467 L CA 2.012 56.639 54.840 -0.356 0.000 0.748 467 L CB -0.801 40.876 42.059 -0.636 0.000 0.891 467 L HN 0.577 nan 8.230 nan 0.000 0.431 468 Y N 1.536 121.686 120.300 -0.251 0.000 2.053 468 Y HA -0.333 4.217 4.550 -0.000 0.000 0.277 468 Y C 2.648 178.455 175.900 -0.155 0.000 1.159 468 Y CA 1.976 59.995 58.100 -0.134 0.000 1.125 468 Y CB -0.413 38.071 38.460 0.039 0.000 0.969 468 Y HN 0.218 nan 8.280 nan 0.000 0.492 469 N N 0.253 118.932 118.700 -0.036 0.000 2.104 469 N HA -0.202 4.538 4.740 -0.000 0.000 0.190 469 N C 1.795 177.192 175.510 -0.189 0.000 1.024 469 N CA 1.800 54.779 53.050 -0.118 0.000 0.853 469 N CB -0.468 38.023 38.487 0.006 0.000 1.008 469 N HN 0.615 nan 8.380 nan 0.000 0.424 470 Q N 0.186 119.876 119.800 -0.183 0.000 2.084 470 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 470 Q C 2.074 177.926 176.000 -0.246 0.000 0.978 470 Q CA 0.930 56.618 55.803 -0.193 0.000 0.844 470 Q CB -0.161 28.461 28.738 -0.194 0.000 0.898 470 Q HN 0.205 nan 8.270 nan 0.000 0.426 471 L N 1.245 122.269 121.223 -0.331 0.000 2.056 471 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 471 L C 2.216 178.872 176.870 -0.357 0.000 1.078 471 L CA 1.833 56.456 54.840 -0.362 0.000 0.749 471 L CB -0.425 41.357 42.059 -0.461 0.000 0.901 471 L HN 0.021 nan 8.230 nan 0.000 0.433 472 K N -0.709 119.421 120.400 -0.449 0.000 2.074 472 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 472 K C 1.943 178.392 176.600 -0.251 0.000 1.048 472 K CA 1.574 57.610 56.287 -0.417 0.000 0.926 472 K CB -0.228 31.962 32.500 -0.516 0.000 0.713 472 K HN 0.475 nan 8.250 nan 0.000 0.444 473 A N 0.912 123.606 122.820 -0.209 0.000 1.855 473 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 473 A C 2.347 179.848 177.584 -0.138 0.000 1.191 473 A CA 1.677 53.627 52.037 -0.145 0.000 0.613 473 A CB -0.935 17.993 19.000 -0.120 0.000 0.829 473 A HN 0.462 nan 8.150 nan 0.000 0.442 474 A N -0.450 122.276 122.820 -0.157 0.000 1.958 474 A HA -0.005 4.315 4.320 -0.000 0.000 0.221 474 A C 1.509 179.014 177.584 -0.131 0.000 1.178 474 A CA 1.637 53.589 52.037 -0.142 0.000 0.642 474 A CB -1.029 17.872 19.000 -0.164 0.000 0.816 474 A HN 0.402 nan 8.150 nan 0.000 0.453 475 I N 0.000 120.480 120.570 -0.150 0.000 2.984 475 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 475 I CA 0.000 61.222 61.300 -0.130 0.000 1.566 475 I CB 0.000 37.908 38.000 -0.153 0.000 1.214 475 I HN 0.000 nan 8.210 nan 0.000 0.494