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 2vjb_1_B DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.645 174.600 0.074 0.000 1.055 4 S CA 0.000 58.228 58.200 0.046 0.000 1.107 4 S CB 0.000 63.226 63.200 0.043 0.000 0.593 5 E N 3.100 123.353 120.200 0.088 0.000 2.077 5 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 5 E C 1.330 178.070 176.600 0.233 0.000 0.989 5 E CA 1.428 57.915 56.400 0.145 0.000 0.800 5 E CB -0.072 29.710 29.700 0.137 0.000 0.746 5 E HN 0.726 nan 8.360 nan 0.000 0.452 6 L N 0.650 121.960 121.223 0.144 0.000 2.465 6 L HA -0.009 4.331 4.340 -0.000 0.000 0.224 6 L C 0.681 177.684 176.870 0.222 0.000 1.145 6 L CA -0.119 54.781 54.840 0.100 0.000 0.834 6 L CB 0.017 42.050 42.059 -0.042 0.000 0.944 6 L HN 0.092 nan 8.230 nan 0.000 0.451 7 L N 0.934 122.274 121.223 0.195 0.000 2.277 7 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 7 L C -0.612 176.337 176.870 0.131 0.000 1.028 7 L CA -0.200 54.746 54.840 0.177 0.000 0.835 7 L CB 1.226 43.346 42.059 0.101 0.000 1.215 7 L HN -0.313 nan 8.230 nan 0.000 0.425 8 V N 4.362 124.364 119.914 0.146 0.000 2.604 8 V HA 0.513 4.633 4.120 -0.000 0.000 0.305 8 V C -0.681 175.368 176.094 -0.075 0.000 1.043 8 V CA -0.816 61.429 62.300 -0.091 0.000 0.888 8 V CB 2.163 33.699 31.823 -0.479 0.000 0.995 8 V HN 0.868 nan 8.190 nan 0.000 0.429 9 N N 1.651 120.226 118.700 -0.209 0.000 2.437 9 N HA 0.566 5.306 4.740 -0.000 0.000 0.259 9 N C -0.226 175.008 175.510 -0.459 0.000 0.983 9 N CA -0.553 52.355 53.050 -0.237 0.000 0.937 9 N CB 1.617 39.957 38.487 -0.245 0.000 1.122 9 N HN 0.742 nan 8.380 nan 0.000 0.499 10 T N -1.002 113.387 114.554 -0.275 0.000 2.910 10 T HA 0.372 4.722 4.350 -0.000 0.000 0.279 10 T C 0.894 175.404 174.700 -0.315 0.000 0.989 10 T CA -0.647 61.291 62.100 -0.270 0.000 0.968 10 T CB 1.042 69.995 68.868 0.141 0.000 1.135 10 T HN 0.229 nan 8.240 nan 0.000 0.562 11 K N 0.197 120.480 120.400 -0.195 0.000 2.360 11 K HA 0.122 4.442 4.320 -0.000 0.000 0.201 11 K C 2.098 178.581 176.600 -0.194 0.000 1.046 11 K CA 0.935 57.129 56.287 -0.156 0.000 0.945 11 K CB -0.268 32.197 32.500 -0.058 0.000 0.750 11 K HN 0.526 nan 8.250 nan 0.000 0.464 12 S N -0.992 114.558 115.700 -0.250 0.000 2.511 12 S HA 0.345 4.815 4.470 -0.000 0.000 0.214 12 S C 0.404 174.294 174.600 -1.183 0.000 0.997 12 S CA 0.238 58.158 58.200 -0.467 0.000 0.908 12 S CB 0.952 64.045 63.200 -0.179 0.000 0.803 12 S HN 0.463 nan 8.310 nan 0.000 0.504 13 G N 1.145 109.341 108.800 -1.006 0.000 2.369 13 G HA2 0.131 4.091 3.960 -0.000 0.000 0.307 13 G HA3 0.131 4.091 3.960 -0.000 0.000 0.307 13 G C -1.757 172.934 174.900 -0.347 0.000 1.327 13 G CA -1.161 43.294 45.100 -1.075 0.000 0.963 13 G HN 0.086 nan 8.290 nan 0.000 0.590 14 K N -0.805 119.619 120.400 0.040 0.000 2.202 14 K HA 0.628 4.947 4.320 -0.000 0.000 0.264 14 K C -0.444 176.543 176.600 0.644 0.000 1.010 14 K CA -0.471 55.984 56.287 0.280 0.000 0.940 14 K CB 1.792 34.414 32.500 0.204 0.000 0.983 14 K HN 0.351 nan 8.250 nan 0.000 0.475 15 V N 2.644 122.862 119.914 0.507 0.000 2.760 15 V HA 0.293 4.412 4.120 -0.000 0.000 0.309 15 V C -1.171 175.206 176.094 0.471 0.000 1.077 15 V CA -0.917 61.734 62.300 0.585 0.000 0.910 15 V CB 1.900 34.125 31.823 0.671 0.000 1.008 15 V HN 0.704 nan 8.190 nan 0.000 0.424 16 M N 4.047 123.879 119.600 0.386 0.000 2.078 16 M HA 0.749 5.228 4.480 -0.000 0.000 0.320 16 M C 0.190 176.542 176.300 0.087 0.000 0.969 16 M CA -0.020 55.414 55.300 0.224 0.000 0.929 16 M CB 0.940 33.620 32.600 0.133 0.000 1.504 16 M HN 0.741 nan 8.290 nan 0.000 0.419 17 G N 1.682 110.378 108.800 -0.175 0.000 2.509 17 G HA2 0.596 4.556 3.960 -0.000 0.000 0.269 17 G HA3 0.596 4.556 3.960 -0.000 0.000 0.269 17 G C -0.974 173.694 174.900 -0.386 0.000 1.416 17 G CA -0.300 44.396 45.100 -0.673 0.000 1.052 17 G HN 0.680 nan 8.290 nan 0.000 0.542 18 T N -1.726 112.584 114.554 -0.406 0.000 2.916 18 T HA 0.515 4.865 4.350 -0.000 0.000 0.305 18 T C -0.734 173.865 174.700 -0.168 0.000 1.119 18 T CA -0.708 61.262 62.100 -0.217 0.000 1.008 18 T CB 1.605 70.374 68.868 -0.165 0.000 1.129 18 T HN 0.579 nan 8.240 nan 0.000 0.480 19 R N 2.834 123.282 120.500 -0.086 0.000 2.216 19 R HA 0.600 4.940 4.340 -0.000 0.000 0.332 19 R C -0.386 175.931 176.300 0.028 0.000 1.056 19 R CA -0.439 55.651 56.100 -0.017 0.000 0.901 19 R CB 0.223 30.509 30.300 -0.022 0.000 1.039 19 R HN 0.533 nan 8.270 nan 0.000 0.456 20 V N 3.054 123.008 119.914 0.066 0.000 2.513 20 V HA 0.716 4.835 4.120 -0.000 0.000 0.299 20 V C -2.375 173.759 176.094 0.067 0.000 1.035 20 V CA -2.685 59.650 62.300 0.059 0.000 0.889 20 V CB 1.548 33.394 31.823 0.039 0.000 0.988 20 V HN 0.768 nan 8.190 nan 0.000 0.440 21 P HA 0.331 nan 4.420 nan 0.000 0.275 21 P C -0.804 176.335 177.300 -0.267 0.000 1.228 21 P CA -0.036 62.936 63.100 -0.213 0.000 0.786 21 P CB 1.898 33.506 31.700 -0.154 0.000 0.927 22 V N 5.750 125.424 119.914 -0.399 0.000 2.663 22 V HA 0.147 4.266 4.120 -0.000 0.000 0.286 22 V C -0.175 175.605 176.094 -0.524 0.000 1.085 22 V CA -0.715 61.322 62.300 -0.439 0.000 0.916 22 V CB 0.230 31.761 31.823 -0.486 0.000 1.039 22 V HN 0.507 nan 8.190 nan 0.000 0.453 23 L N 5.886 126.931 121.223 -0.297 0.000 3.746 23 L HA -0.220 4.120 4.340 -0.000 0.000 0.542 23 L C 1.062 177.788 176.870 -0.239 0.000 1.268 23 L CA 0.885 55.587 54.840 -0.229 0.000 0.818 23 L CB -1.859 40.058 42.059 -0.237 0.000 1.472 23 L HN 1.072 nan 8.230 nan 0.000 0.843 24 S N -2.480 113.098 115.700 -0.203 0.000 3.261 24 S HA -0.228 4.241 4.470 -0.000 0.000 0.287 24 S C 0.450 174.945 174.600 -0.176 0.000 1.281 24 S CA 1.560 59.671 58.200 -0.149 0.000 1.053 24 S CB -0.594 62.569 63.200 -0.063 0.000 1.251 24 S HN 0.878 nan 8.310 nan 0.000 0.659 25 S N -0.965 114.537 115.700 -0.330 0.000 2.998 25 S HA 0.845 5.315 4.470 -0.000 0.000 0.323 25 S C -1.335 172.941 174.600 -0.541 0.000 1.141 25 S CA -0.621 57.442 58.200 -0.228 0.000 0.873 25 S CB 1.088 64.292 63.200 0.006 0.000 1.315 25 S HN 0.453 nan 8.310 nan 0.000 0.637 26 H N -0.411 118.675 119.070 0.028 0.000 2.980 26 H HA 0.754 5.310 4.556 -0.000 0.000 0.367 26 H C -0.691 174.713 175.328 0.127 0.000 1.206 26 H CA -0.390 55.679 56.048 0.035 0.000 1.126 26 H CB 1.408 31.191 29.762 0.036 0.000 1.838 26 H HN 0.732 nan 8.280 nan 0.000 0.552 27 I N -2.238 118.477 120.570 0.241 0.000 3.102 27 I HA 0.671 4.841 4.170 -0.000 0.000 0.310 27 I C -1.028 175.210 176.117 0.202 0.000 1.246 27 I CA -0.999 60.451 61.300 0.251 0.000 0.979 27 I CB 2.593 40.769 38.000 0.293 0.000 1.267 27 I HN 0.382 nan 8.210 nan 0.000 0.451 28 S N 1.872 117.701 115.700 0.216 0.000 2.554 28 S HA 0.829 5.299 4.470 -0.000 0.000 0.278 28 S C -0.214 174.455 174.600 0.116 0.000 1.242 28 S CA -0.485 57.793 58.200 0.131 0.000 1.051 28 S CB 1.456 64.800 63.200 0.239 0.000 0.986 28 S HN 0.884 nan 8.310 nan 0.000 0.502 29 A N 2.234 124.960 122.820 -0.158 0.000 2.398 29 A HA 0.769 5.089 4.320 -0.000 0.000 0.301 29 A C -1.429 175.879 177.584 -0.460 0.000 1.041 29 A CA -0.645 51.234 52.037 -0.262 0.000 0.711 29 A CB 0.579 19.407 19.000 -0.287 0.000 1.240 29 A HN 0.626 nan 8.150 nan 0.000 0.420 30 F N 2.575 122.385 119.950 -0.233 0.000 2.366 30 F HA 0.513 5.040 4.527 -0.000 0.000 0.366 30 F C -0.185 175.476 175.800 -0.231 0.000 1.096 30 F CA -0.462 57.475 58.000 -0.104 0.000 1.060 30 F CB 1.334 40.365 39.000 0.052 0.000 1.282 30 F HN 0.354 nan 8.300 nan 0.000 0.450 31 L N 2.283 123.456 121.223 -0.082 0.000 2.317 31 L HA 0.703 5.043 4.340 -0.000 0.000 0.281 31 L C 0.917 177.814 176.870 0.045 0.000 1.024 31 L CA -0.965 53.827 54.840 -0.081 0.000 0.810 31 L CB 1.649 43.592 42.059 -0.193 0.000 1.240 31 L HN 0.832 nan 8.230 nan 0.000 0.427 32 G N 3.146 111.994 108.800 0.080 0.000 2.225 32 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.264 32 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.264 32 G C -0.105 174.870 174.900 0.125 0.000 1.060 32 G CA -0.328 44.823 45.100 0.085 0.000 0.833 32 G HN 0.479 nan 8.290 nan 0.000 0.498 33 I N 2.187 122.743 120.570 -0.024 0.000 2.416 33 I HA 0.242 4.412 4.170 -0.000 0.000 0.288 33 I C -1.373 174.528 176.117 -0.360 0.000 1.051 33 I CA -2.128 58.978 61.300 -0.323 0.000 1.375 33 I CB 1.199 39.016 38.000 -0.305 0.000 1.407 33 I HN -0.004 nan 8.210 nan 0.000 0.516 34 P HA 0.077 nan 4.420 nan 0.000 0.280 34 P C -0.358 176.602 177.300 -0.566 0.000 1.244 34 P CA -0.069 62.530 63.100 -0.836 0.000 0.784 34 P CB 0.751 31.868 31.700 -0.972 0.000 0.913 35 F N 0.902 120.545 119.950 -0.512 0.000 2.746 35 F HA 0.739 5.266 4.527 -0.000 0.000 0.320 35 F C -0.062 175.663 175.800 -0.125 0.000 1.097 35 F CA -0.886 56.907 58.000 -0.345 0.000 1.195 35 F CB 0.085 38.826 39.000 -0.430 0.000 1.056 35 F HN 0.378 nan 8.300 nan 0.000 0.562 36 A N -0.047 122.419 122.820 -0.589 0.000 2.602 36 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 36 A C -0.993 176.393 177.584 -0.330 0.000 1.114 36 A CA -0.805 51.035 52.037 -0.328 0.000 0.683 36 A CB 0.986 19.774 19.000 -0.354 0.000 1.281 36 A HN 0.054 nan 8.150 nan 0.000 0.416 37 E N 0.756 120.858 120.200 -0.165 0.000 2.366 37 E HA 0.326 4.676 4.350 -0.000 0.000 0.266 37 E C -2.393 174.111 176.600 -0.160 0.000 1.051 37 E CA -1.555 54.772 56.400 -0.122 0.000 0.884 37 E CB 0.222 29.897 29.700 -0.042 0.000 1.006 37 E HN 0.226 nan 8.360 nan 0.000 0.417 38 P HA 0.019 nan 4.420 nan 0.000 0.261 38 P C -2.169 175.076 177.300 -0.090 0.000 1.203 38 P CA -0.736 62.295 63.100 -0.115 0.000 0.767 38 P CB -0.032 31.636 31.700 -0.053 0.000 0.785 39 P HA -0.013 nan 4.420 nan 0.000 0.225 39 P C -0.155 177.088 177.300 -0.094 0.000 1.768 39 P CA 0.155 63.206 63.100 -0.083 0.000 0.943 39 P CB -0.155 31.499 31.700 -0.078 0.000 1.936 40 V N -2.884 116.982 119.914 -0.080 0.000 2.966 40 V HA 0.857 4.977 4.120 -0.000 0.000 0.317 40 V C 1.109 177.159 176.094 -0.072 0.000 1.070 40 V CA 0.191 62.441 62.300 -0.083 0.000 1.008 40 V CB 0.641 32.425 31.823 -0.065 0.000 1.070 40 V HN 0.522 nan 8.190 nan 0.000 0.457 41 G N 3.374 112.129 108.800 -0.076 0.000 2.602 41 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.310 41 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.310 41 G C 0.525 175.384 174.900 -0.068 0.000 1.183 41 G CA 1.324 46.386 45.100 -0.063 0.000 0.979 41 G HN 1.938 nan 8.290 nan 0.000 0.545 42 N N 0.584 119.261 118.700 -0.040 0.000 2.521 42 N HA 0.201 4.941 4.740 -0.000 0.000 0.188 42 N C 1.847 177.347 175.510 -0.015 0.000 1.146 42 N CA 1.548 54.586 53.050 -0.020 0.000 0.893 42 N CB 0.035 38.523 38.487 0.003 0.000 0.975 42 N HN 0.472 nan 8.380 nan 0.000 0.451 43 M N -0.170 119.407 119.600 -0.039 0.000 2.510 43 M HA 0.093 4.572 4.480 -0.000 0.000 0.256 43 M C 0.777 177.037 176.300 -0.067 0.000 1.132 43 M CA 0.020 55.299 55.300 -0.035 0.000 1.105 43 M CB -0.290 32.286 32.600 -0.039 0.000 1.375 43 M HN 0.242 nan 8.290 nan 0.000 0.477 44 R N 0.731 121.141 120.500 -0.149 0.000 2.522 44 R HA -0.038 4.302 4.340 -0.000 0.000 0.284 44 R C -0.335 175.790 176.300 -0.292 0.000 1.032 44 R CA 0.600 56.492 56.100 -0.346 0.000 1.049 44 R CB 0.184 30.130 30.300 -0.590 0.000 0.956 44 R HN 0.197 nan 8.270 nan 0.000 0.422 45 F N -0.810 119.139 119.950 -0.002 0.000 2.502 45 F HA -0.280 4.247 4.527 -0.000 0.000 0.480 45 F C 0.663 176.444 175.800 -0.032 0.000 0.543 45 F CA 1.198 59.172 58.000 -0.043 0.000 1.350 45 F CB -1.489 37.475 39.000 -0.060 0.000 1.999 45 F HN 0.640 nan 8.300 nan 0.000 0.267 46 R N 1.642 122.214 120.500 0.120 0.000 2.531 46 R HA 0.489 4.829 4.340 -0.000 0.000 0.273 46 R C 0.574 176.903 176.300 0.048 0.000 1.070 46 R CA -0.606 55.540 56.100 0.076 0.000 1.112 46 R CB 0.702 31.034 30.300 0.053 0.000 1.049 46 R HN 0.083 nan 8.270 nan 0.000 0.508 47 R N 2.724 123.253 120.500 0.049 0.000 2.698 47 R HA 0.044 4.384 4.340 -0.000 0.000 0.266 47 R C -1.873 174.454 176.300 0.045 0.000 1.026 47 R CA -0.854 55.276 56.100 0.049 0.000 1.102 47 R CB -0.054 30.280 30.300 0.058 0.000 0.978 47 R HN 0.526 nan 8.270 nan 0.000 0.436 48 P HA 0.089 nan 4.420 nan 0.000 0.274 48 P C -0.939 176.396 177.300 0.058 0.000 1.237 48 P CA -0.085 63.048 63.100 0.055 0.000 0.793 48 P CB 0.906 32.667 31.700 0.103 0.000 0.977 49 E N 1.538 121.761 120.200 0.039 0.000 2.248 49 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 49 E C -2.569 174.063 176.600 0.054 0.000 0.877 49 E CA -2.887 53.541 56.400 0.046 0.000 0.759 49 E CB 1.014 30.731 29.700 0.028 0.000 1.182 49 E HN 0.232 nan 8.360 nan 0.000 0.418 50 P HA -0.023 nan 4.420 nan 0.000 0.264 50 P C -1.134 176.220 177.300 0.090 0.000 1.183 50 P CA -0.118 63.051 63.100 0.115 0.000 0.763 50 P CB 0.374 32.145 31.700 0.119 0.000 0.807 51 K N 4.357 124.818 120.400 0.102 0.000 2.416 51 K HA 0.020 4.340 4.320 -0.000 0.000 0.283 51 K C 0.099 176.793 176.600 0.157 0.000 1.037 51 K CA 0.163 56.506 56.287 0.092 0.000 0.995 51 K CB -0.027 32.524 32.500 0.085 0.000 0.938 51 K HN 0.330 nan 8.250 nan 0.000 0.475 52 K N 4.698 125.184 120.400 0.144 0.000 2.185 52 K HA 0.315 4.635 4.320 -0.000 0.000 0.271 52 K C -2.259 174.452 176.600 0.185 0.000 1.013 52 K CA -1.946 54.421 56.287 0.133 0.000 0.943 52 K CB 0.129 32.691 32.500 0.104 0.000 0.998 52 K HN 0.347 nan 8.250 nan 0.000 0.468 53 P HA -0.127 nan 4.420 nan 0.000 0.264 53 P C -1.228 176.148 177.300 0.127 0.000 1.173 53 P CA 0.291 63.365 63.100 -0.043 0.000 0.761 53 P CB 0.102 31.744 31.700 -0.097 0.000 0.794 54 W N 1.151 122.528 121.300 0.128 0.000 2.736 54 W HA 0.740 5.400 4.660 -0.000 0.000 0.355 54 W C -0.959 175.638 176.519 0.130 0.000 1.102 54 W CA -0.788 56.653 57.345 0.159 0.000 1.164 54 W CB 0.257 29.885 29.460 0.280 0.000 1.422 54 W HN 0.114 nan 8.180 nan 0.000 0.572 55 S N 0.813 116.739 115.700 0.377 0.000 2.690 55 S HA 0.784 5.254 4.470 -0.000 0.000 0.291 55 S C 0.396 175.203 174.600 0.345 0.000 1.138 55 S CA 0.347 58.687 58.200 0.234 0.000 1.013 55 S CB 0.926 64.215 63.200 0.147 0.000 1.053 55 S HN 1.500 nan 8.310 nan 0.000 0.539 56 G N 0.084 109.019 108.800 0.225 0.000 2.750 56 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.228 56 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.228 56 G C -0.824 174.276 174.900 0.334 0.000 1.367 56 G CA -0.464 44.767 45.100 0.218 0.000 0.871 56 G HN 0.952 nan 8.290 nan 0.000 0.560 57 V N 0.945 121.011 119.914 0.253 0.000 2.394 57 V HA 0.456 4.576 4.120 -0.000 0.000 0.282 57 V C 0.471 176.729 176.094 0.273 0.000 1.031 57 V CA -0.491 61.991 62.300 0.304 0.000 0.881 57 V CB 1.661 33.595 31.823 0.185 0.000 0.982 57 V HN 0.683 nan 8.190 nan 0.000 0.451 58 W N 5.505 126.926 121.300 0.202 0.000 2.311 58 W HA 0.218 4.878 4.660 -0.000 0.000 0.310 58 W C 0.232 176.753 176.519 0.003 0.000 1.274 58 W CA -0.497 56.813 57.345 -0.058 0.000 1.215 58 W CB 0.812 30.074 29.460 -0.330 0.000 1.227 58 W HN 0.612 nan 8.180 nan 0.000 0.523 59 N N 4.630 123.209 118.700 -0.201 0.000 2.399 59 N HA 0.197 4.936 4.740 -0.000 0.000 0.259 59 N C -0.578 175.015 175.510 0.139 0.000 1.160 59 N CA 0.232 53.253 53.050 -0.048 0.000 0.946 59 N CB 0.899 39.282 38.487 -0.174 0.000 1.156 59 N HN 0.382 nan 8.380 nan 0.000 0.489 60 A N 2.819 125.778 122.820 0.231 0.000 3.219 60 A HA 0.224 4.544 4.320 -0.000 0.000 0.314 60 A C 0.834 178.426 177.584 0.014 0.000 1.081 60 A CA -0.480 51.689 52.037 0.219 0.000 0.995 60 A CB -0.434 18.754 19.000 0.314 0.000 1.067 60 A HN 0.614 nan 8.150 nan 0.000 0.533 61 S N -1.059 114.618 115.700 -0.038 0.000 2.559 61 S HA 0.219 4.689 4.470 -0.000 0.000 0.226 61 S C 0.639 175.155 174.600 -0.141 0.000 1.000 61 S CA 0.514 58.646 58.200 -0.113 0.000 0.948 61 S CB -0.240 62.899 63.200 -0.101 0.000 0.870 61 S HN 0.866 nan 8.310 nan 0.000 0.497 62 T N -1.052 113.437 114.554 -0.110 0.000 2.906 62 T HA 0.652 5.002 4.350 -0.000 0.000 0.295 62 T C -0.903 173.761 174.700 -0.060 0.000 1.075 62 T CA -0.723 61.301 62.100 -0.125 0.000 1.005 62 T CB 0.736 69.557 68.868 -0.077 0.000 1.136 62 T HN 0.047 nan 8.240 nan 0.000 0.498 63 Y N 2.690 122.966 120.300 -0.039 0.000 2.578 63 Y HA 0.352 4.902 4.550 -0.000 0.000 0.339 63 Y C -1.361 174.479 175.900 -0.100 0.000 1.231 63 Y CA -1.422 56.654 58.100 -0.040 0.000 1.461 63 Y CB 0.107 38.563 38.460 -0.007 0.000 1.323 63 Y HN 0.555 nan 8.280 nan 0.000 0.590 64 P HA 0.134 nan 4.420 nan 0.000 0.297 64 P C -0.682 176.528 177.300 -0.150 0.000 1.307 64 P CA -0.535 62.430 63.100 -0.225 0.000 0.773 64 P CB 0.994 32.425 31.700 -0.449 0.000 1.265 65 N N -0.038 118.537 118.700 -0.208 0.000 2.354 65 N HA 0.137 4.877 4.740 -0.000 0.000 0.246 65 N C -0.003 175.466 175.510 -0.070 0.000 1.285 65 N CA 0.117 53.100 53.050 -0.112 0.000 0.925 65 N CB -0.169 38.261 38.487 -0.096 0.000 1.174 65 N HN 0.410 nan 8.380 nan 0.000 0.478 66 N N -0.917 117.740 118.700 -0.071 0.000 2.466 66 N HA 0.330 5.069 4.740 -0.000 0.000 0.294 66 N C -0.482 174.985 175.510 -0.071 0.000 1.129 66 N CA -0.701 52.304 53.050 -0.074 0.000 0.931 66 N CB 1.177 39.598 38.487 -0.110 0.000 1.193 66 N HN 0.397 nan 8.380 nan 0.000 0.500 67 c N 1.115 119.675 118.600 -0.066 0.000 2.700 67 c HA 0.058 4.628 4.570 -0.000 0.000 0.397 67 c C 0.584 174.597 174.090 -0.128 0.000 1.301 67 c CA -0.602 55.672 56.329 -0.093 0.000 2.219 67 c CB -0.033 42.447 42.510 -0.051 0.000 2.699 67 c HN 0.531 nan 8.230 nan 0.000 0.669 68 Q N 2.384 122.037 119.800 -0.245 0.000 2.300 68 Q HA 0.245 4.585 4.340 -0.000 0.000 0.280 68 Q C -0.066 175.925 176.000 -0.014 0.000 1.033 68 Q CA 0.885 56.542 55.803 -0.243 0.000 0.903 68 Q CB 0.463 28.799 28.738 -0.669 0.000 1.195 68 Q HN 0.879 nan 8.270 nan 0.000 0.386 69 Q N 1.203 121.062 119.800 0.098 0.000 2.687 69 Q HA 0.313 4.653 4.340 -0.000 0.000 0.295 69 Q C -1.311 174.869 176.000 0.299 0.000 0.920 69 Q CA -1.032 54.913 55.803 0.236 0.000 0.766 69 Q CB 0.771 29.594 28.738 0.143 0.000 1.467 69 Q HN 0.472 nan 8.270 nan 0.000 0.415 70 Y N 1.065 121.565 120.300 0.333 0.000 2.511 70 Y HA 0.390 4.940 4.550 -0.000 0.000 0.332 70 Y C -1.054 175.025 175.900 0.297 0.000 1.177 70 Y CA 0.162 58.494 58.100 0.387 0.000 1.422 70 Y CB 0.915 39.759 38.460 0.640 0.000 1.271 70 Y HN 0.433 nan 8.280 nan 0.000 0.550 71 V N 6.549 126.206 119.914 -0.427 0.000 2.459 71 V HA 0.141 4.261 4.120 -0.000 0.000 0.295 71 V C -0.638 175.129 176.094 -0.545 0.000 1.029 71 V CA -1.023 61.090 62.300 -0.310 0.000 0.874 71 V CB 1.557 33.290 31.823 -0.151 0.000 0.985 71 V HN 0.787 nan 8.190 nan 0.000 0.438 72 D N 3.418 123.718 120.400 -0.166 0.000 2.339 72 D HA 0.185 4.825 4.640 -0.000 0.000 0.256 72 D C 0.399 176.725 176.300 0.044 0.000 1.214 72 D CA 0.189 54.199 54.000 0.017 0.000 0.877 72 D CB 0.922 41.890 40.800 0.280 0.000 1.111 72 D HN 0.668 nan 8.370 nan 0.000 0.478 73 E N 2.484 122.689 120.200 0.008 0.000 2.887 73 E HA 0.017 4.367 4.350 -0.000 0.000 0.206 73 E C 0.951 177.532 176.600 -0.031 0.000 0.983 73 E CA -0.289 56.117 56.400 0.010 0.000 1.141 73 E CB 0.664 30.350 29.700 -0.024 0.000 1.061 73 E HN 0.441 nan 8.360 nan 0.000 0.468 74 Q N -0.444 119.304 119.800 -0.086 0.000 2.084 74 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 74 Q C -0.056 175.588 176.000 -0.592 0.000 0.978 74 Q CA 1.170 56.704 55.803 -0.447 0.000 0.844 74 Q CB 0.199 28.463 28.738 -0.789 0.000 0.898 74 Q HN 0.220 nan 8.270 nan 0.000 0.426 75 F N 0.596 120.602 119.950 0.095 0.000 2.453 75 F HA 0.367 4.894 4.527 -0.000 0.000 0.358 75 F C -2.111 173.754 175.800 0.107 0.000 1.129 75 F CA -3.025 55.007 58.000 0.053 0.000 1.200 75 F CB 1.022 40.034 39.000 0.020 0.000 1.431 75 F HN -0.179 nan 8.300 nan 0.000 0.503 76 P HA 0.207 nan 4.420 nan 0.000 0.263 76 P C 0.987 178.369 177.300 0.137 0.000 1.195 76 P CA 0.998 64.174 63.100 0.127 0.000 0.762 76 P CB 0.874 32.614 31.700 0.068 0.000 0.799 77 G N 2.828 111.695 108.800 0.113 0.000 2.253 77 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.251 77 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.251 77 G C 0.069 175.035 174.900 0.110 0.000 0.998 77 G CA -0.441 44.708 45.100 0.081 0.000 0.621 77 G HN 0.527 nan 8.290 nan 0.000 0.524 78 F N 3.569 123.512 119.950 -0.012 0.000 2.502 78 F HA 0.481 5.008 4.527 -0.000 0.000 0.371 78 F C 1.765 177.505 175.800 -0.100 0.000 1.083 78 F CA -0.038 57.905 58.000 -0.094 0.000 1.174 78 F CB 0.925 39.852 39.000 -0.121 0.000 1.096 78 F HN 0.266 nan 8.300 nan 0.000 0.545 79 S N 3.321 118.662 115.700 -0.599 0.000 2.400 79 S HA -0.140 4.330 4.470 -0.000 0.000 0.232 79 S C 2.269 176.451 174.600 -0.697 0.000 1.025 79 S CA 0.955 58.828 58.200 -0.545 0.000 0.993 79 S CB -1.210 61.717 63.200 -0.456 0.000 0.808 79 S HN 0.795 nan 8.310 nan 0.000 0.478 80 G N 1.791 109.683 108.800 -1.514 0.000 2.469 80 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 80 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 80 G C 1.748 176.767 174.900 0.198 0.000 1.136 80 G CA 1.451 45.936 45.100 -1.024 0.000 0.759 80 G HN 0.815 nan 8.290 nan 0.000 0.562 81 S N -0.077 115.803 115.700 0.300 0.000 2.468 81 S HA 0.110 4.580 4.470 -0.000 0.000 0.226 81 S C 1.841 176.695 174.600 0.424 0.000 1.051 81 S CA 0.757 59.427 58.200 0.784 0.000 0.943 81 S CB -0.117 63.678 63.200 0.991 0.000 0.810 81 S HN 0.491 nan 8.310 nan 0.000 0.509 82 E N 2.273 122.571 120.200 0.162 0.000 2.268 82 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 82 E C 1.987 178.517 176.600 -0.117 0.000 0.995 82 E CA 1.210 57.635 56.400 0.041 0.000 0.836 82 E CB -0.548 29.151 29.700 -0.002 0.000 0.763 82 E HN 0.831 nan 8.360 nan 0.000 0.491 83 M N -1.792 117.632 119.600 -0.294 0.000 2.632 83 M HA -0.051 4.429 4.480 -0.000 0.000 0.256 83 M C 0.845 176.698 176.300 -0.744 0.000 1.080 83 M CA 1.343 56.293 55.300 -0.583 0.000 1.084 83 M CB -0.372 31.749 32.600 -0.798 0.000 1.439 83 M HN 0.045 nan 8.290 nan 0.000 0.509 84 W N 0.640 121.875 121.300 -0.110 0.000 3.103 84 W HA 0.319 4.979 4.660 -0.000 0.000 0.325 84 W C 0.219 176.654 176.519 -0.141 0.000 1.170 84 W CA -0.953 56.298 57.345 -0.157 0.000 1.712 84 W CB 0.050 29.451 29.460 -0.098 0.000 1.068 84 W HN 0.091 nan 8.180 nan 0.000 0.592 85 N N 1.390 120.115 118.700 0.043 0.000 2.463 85 N HA 0.221 4.961 4.740 -0.000 0.000 0.270 85 N C -2.523 172.940 175.510 -0.079 0.000 1.205 85 N CA -1.707 51.344 53.050 0.001 0.000 0.974 85 N CB -0.134 38.360 38.487 0.011 0.000 1.197 85 N HN -0.375 nan 8.380 nan 0.000 0.504 86 P HA 0.058 nan 4.420 nan 0.000 0.264 86 P C 0.213 177.451 177.300 -0.103 0.000 1.193 86 P CA 0.023 63.057 63.100 -0.109 0.000 0.763 86 P CB 0.275 31.922 31.700 -0.089 0.000 0.810 87 N N 2.623 121.250 118.700 -0.122 0.000 2.214 87 N HA 0.081 4.821 4.740 -0.000 0.000 0.214 87 N C 0.156 175.623 175.510 -0.071 0.000 1.132 87 N CA 0.039 53.029 53.050 -0.100 0.000 0.856 87 N CB 0.369 38.783 38.487 -0.121 0.000 1.020 87 N HN 0.187 nan 8.380 nan 0.000 0.509 88 R N 0.210 120.665 120.500 -0.075 0.000 2.817 88 R HA 0.260 4.600 4.340 -0.000 0.000 0.268 88 R C -0.703 175.561 176.300 -0.060 0.000 1.027 88 R CA -0.664 55.402 56.100 -0.056 0.000 0.928 88 R CB 1.343 31.610 30.300 -0.055 0.000 1.228 88 R HN 0.282 nan 8.270 nan 0.000 0.469 89 E N 1.745 121.912 120.200 -0.054 0.000 2.414 89 E HA 0.038 4.387 4.350 -0.000 0.000 0.263 89 E C -0.446 176.115 176.600 -0.065 0.000 1.000 89 E CA 0.147 56.514 56.400 -0.055 0.000 0.914 89 E CB 0.626 30.294 29.700 -0.052 0.000 0.948 89 E HN 0.262 nan 8.360 nan 0.000 0.444 90 M N 2.762 122.323 119.600 -0.065 0.000 2.274 90 M HA 0.224 4.703 4.480 -0.000 0.000 0.344 90 M C -0.080 176.166 176.300 -0.090 0.000 1.161 90 M CA 0.006 55.258 55.300 -0.079 0.000 1.126 90 M CB 1.598 34.153 32.600 -0.075 0.000 1.522 90 M HN 0.444 nan 8.290 nan 0.000 0.461 91 S N 0.458 116.091 115.700 -0.111 0.000 2.552 91 S HA 0.219 4.689 4.470 -0.000 0.000 0.272 91 S C -0.068 174.437 174.600 -0.158 0.000 1.150 91 S CA -0.707 57.423 58.200 -0.117 0.000 0.849 91 S CB 1.513 64.671 63.200 -0.070 0.000 1.113 91 S HN 0.839 nan 8.310 nan 0.000 0.458 92 E N 0.737 120.822 120.200 -0.191 0.000 2.274 92 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 92 E C -0.352 176.177 176.600 -0.118 0.000 0.996 92 E CA 0.595 56.858 56.400 -0.228 0.000 0.840 92 E CB 0.102 29.657 29.700 -0.242 0.000 0.772 92 E HN 0.561 nan 8.360 nan 0.000 0.491 93 D N -0.065 120.304 120.400 -0.052 0.000 2.517 93 D HA -0.003 4.637 4.640 -0.000 0.000 0.220 93 D C 0.081 176.479 176.300 0.163 0.000 1.158 93 D CA -0.263 53.755 54.000 0.031 0.000 0.992 93 D CB -0.064 40.773 40.800 0.062 0.000 1.058 93 D HN 0.116 nan 8.370 nan 0.000 0.516 94 c N 2.109 120.782 118.600 0.121 0.000 3.657 94 c HA 0.375 4.945 4.570 -0.000 0.000 0.291 94 c C 0.770 174.991 174.090 0.219 0.000 1.572 94 c CA -0.700 55.765 56.329 0.227 0.000 1.818 94 c CB -1.324 41.228 42.510 0.070 0.000 2.903 94 c HN 0.425 nan 8.230 nan 0.000 0.632 95 L N 2.603 123.714 121.223 -0.186 0.000 2.382 95 L HA 0.331 4.671 4.340 -0.000 0.000 0.259 95 L C -0.773 175.471 176.870 -1.044 0.000 1.291 95 L CA 0.633 55.120 54.840 -0.589 0.000 1.176 95 L CB -0.851 40.686 42.059 -0.871 0.000 1.373 95 L HN 0.388 nan 8.230 nan 0.000 0.426 96 Y N 1.737 121.927 120.300 -0.183 0.000 2.634 96 Y HA 0.706 5.256 4.550 -0.000 0.000 0.340 96 Y C -0.094 175.925 175.900 0.198 0.000 1.058 96 Y CA -1.370 56.685 58.100 -0.076 0.000 1.081 96 Y CB 1.783 40.196 38.460 -0.078 0.000 1.295 96 Y HN 0.150 nan 8.280 nan 0.000 0.487 97 L N -0.270 121.091 121.223 0.230 0.000 2.376 97 L HA 0.752 5.092 4.340 -0.000 0.000 0.258 97 L C -1.292 175.590 176.870 0.021 0.000 1.013 97 L CA -1.154 53.754 54.840 0.114 0.000 0.822 97 L CB 1.812 43.838 42.059 -0.056 0.000 1.388 97 L HN 0.450 nan 8.230 nan 0.000 0.413 98 N N 1.671 120.399 118.700 0.047 0.000 2.319 98 N HA 0.767 5.507 4.740 -0.000 0.000 0.305 98 N C -1.221 174.177 175.510 -0.188 0.000 1.103 98 N CA -0.287 52.698 53.050 -0.108 0.000 0.815 98 N CB 2.714 41.147 38.487 -0.091 0.000 1.288 98 N HN 0.652 nan 8.380 nan 0.000 0.493 99 I N 0.172 120.525 120.570 -0.361 0.000 2.619 99 I HA 0.389 4.559 4.170 -0.000 0.000 0.292 99 I C -0.937 175.055 176.117 -0.209 0.000 1.100 99 I CA -0.719 60.478 61.300 -0.173 0.000 1.043 99 I CB 2.456 40.307 38.000 -0.247 0.000 1.239 99 I HN 0.236 nan 8.210 nan 0.000 0.420 100 W N 5.510 126.944 121.300 0.224 0.000 2.471 100 W HA 0.596 5.256 4.660 -0.000 0.000 0.318 100 W C -1.115 175.547 176.519 0.238 0.000 1.034 100 W CA -0.667 56.818 57.345 0.234 0.000 1.224 100 W CB 2.181 31.750 29.460 0.182 0.000 1.335 100 W HN 0.069 nan 8.180 nan 0.000 0.452 101 V N 5.098 125.282 119.914 0.450 0.000 2.487 101 V HA 0.297 4.417 4.120 -0.000 0.000 0.298 101 V C -1.995 174.291 176.094 0.320 0.000 1.028 101 V CA -2.307 60.219 62.300 0.376 0.000 0.860 101 V CB 2.111 34.198 31.823 0.440 0.000 0.991 101 V HN 0.238 nan 8.190 nan 0.000 0.427 102 P HA 0.110 nan 4.420 nan 0.000 0.268 102 P C -0.647 176.767 177.300 0.190 0.000 1.208 102 P CA 0.255 63.473 63.100 0.196 0.000 0.777 102 P CB 0.541 32.314 31.700 0.121 0.000 0.875 103 S N 1.737 117.544 115.700 0.179 0.000 2.647 103 S HA 0.521 4.991 4.470 -0.000 0.000 0.300 103 S C -2.512 172.163 174.600 0.125 0.000 1.129 103 S CA -1.533 56.762 58.200 0.159 0.000 1.029 103 S CB 0.174 63.480 63.200 0.176 0.000 1.007 103 S HN 0.254 nan 8.310 nan 0.000 0.484 104 P HA 0.138 nan 4.420 nan 0.000 0.269 104 P C -0.463 176.898 177.300 0.100 0.000 1.209 104 P CA -0.501 62.654 63.100 0.091 0.000 0.776 104 P CB 0.380 32.120 31.700 0.067 0.000 0.876 105 R N 2.891 123.458 120.500 0.113 0.000 2.486 105 R HA 0.087 4.427 4.340 -0.000 0.000 0.303 105 R C -1.882 174.471 176.300 0.089 0.000 0.958 105 R CA -0.857 55.316 56.100 0.122 0.000 1.077 105 R CB -0.507 29.869 30.300 0.126 0.000 0.921 105 R HN 0.365 nan 8.270 nan 0.000 0.406 106 P HA 0.045 nan 4.420 nan 0.000 0.271 106 P C -0.169 177.161 177.300 0.050 0.000 1.244 106 P CA -0.272 62.864 63.100 0.062 0.000 0.793 106 P CB 0.711 32.449 31.700 0.064 0.000 0.984 107 K N -0.397 120.022 120.400 0.031 0.000 2.078 107 K HA 0.102 4.422 4.320 -0.000 0.000 0.203 107 K C 0.520 177.123 176.600 0.005 0.000 1.043 107 K CA 1.005 57.302 56.287 0.017 0.000 0.960 107 K CB 0.046 32.552 32.500 0.009 0.000 0.761 107 K HN 0.285 nan 8.250 nan 0.000 0.448 108 S N 0.839 116.540 115.700 0.002 0.000 2.680 108 S HA 0.111 4.581 4.470 -0.000 0.000 0.140 108 S C -0.827 173.769 174.600 -0.006 0.000 1.357 108 S CA -0.510 57.682 58.200 -0.013 0.000 1.201 108 S CB 0.662 63.844 63.200 -0.029 0.000 1.547 108 S HN 0.155 nan 8.310 nan 0.000 0.411 109 T N 1.702 116.263 114.554 0.011 0.000 2.884 109 T HA 0.550 4.900 4.350 -0.000 0.000 0.277 109 T C 0.290 174.996 174.700 0.010 0.000 0.976 109 T CA 0.008 62.115 62.100 0.012 0.000 0.956 109 T CB 0.894 69.780 68.868 0.030 0.000 1.113 109 T HN 0.478 nan 8.240 nan 0.000 0.554 110 T N 1.869 116.426 114.554 0.004 0.000 2.930 110 T HA 0.408 4.758 4.350 -0.000 0.000 0.306 110 T C -0.433 174.283 174.700 0.027 0.000 1.045 110 T CA -0.406 61.693 62.100 -0.002 0.000 1.134 110 T CB 0.528 69.381 68.868 -0.025 0.000 0.961 110 T HN 0.393 nan 8.240 nan 0.000 0.545 111 V N 4.125 124.059 119.914 0.033 0.000 2.540 111 V HA 0.501 4.621 4.120 -0.000 0.000 0.302 111 V C -0.206 175.939 176.094 0.085 0.000 1.035 111 V CA -0.789 61.555 62.300 0.073 0.000 0.873 111 V CB 1.702 33.571 31.823 0.078 0.000 0.992 111 V HN 0.843 nan 8.190 nan 0.000 0.428 112 M N 4.526 124.205 119.600 0.132 0.000 2.253 112 M HA 0.572 5.052 4.480 -0.000 0.000 0.314 112 M C -1.206 175.333 176.300 0.398 0.000 1.019 112 M CA -0.623 54.783 55.300 0.175 0.000 0.932 112 M CB 2.235 34.830 32.600 -0.008 0.000 1.606 112 M HN 0.368 nan 8.290 nan 0.000 0.430 113 V N 3.102 123.283 119.914 0.445 0.000 2.370 113 V HA 0.346 4.466 4.120 -0.000 0.000 0.283 113 V C -0.873 175.485 176.094 0.441 0.000 1.023 113 V CA -0.599 61.932 62.300 0.385 0.000 0.857 113 V CB 1.572 33.496 31.823 0.168 0.000 0.985 113 V HN 0.853 nan 8.190 nan 0.000 0.443 114 W N 6.971 128.320 121.300 0.082 0.000 2.338 114 W HA 0.600 5.260 4.660 -0.000 0.000 0.307 114 W C -1.228 175.152 176.519 -0.233 0.000 1.167 114 W CA -0.789 56.361 57.345 -0.325 0.000 1.208 114 W CB 1.261 30.587 29.460 -0.224 0.000 1.228 114 W HN 0.457 nan 8.180 nan 0.000 0.499 115 I N 9.661 129.518 120.570 -1.187 0.000 2.428 115 I HA 0.038 4.207 4.170 -0.000 0.000 0.279 115 I C -0.111 175.245 176.117 -1.269 0.000 1.040 115 I CA -1.071 59.644 61.300 -0.975 0.000 1.171 115 I CB 0.199 37.820 38.000 -0.631 0.000 1.312 115 I HN 0.286 nan 8.210 nan 0.000 0.470 116 Y N 4.352 124.138 120.300 -0.855 0.000 2.709 116 Y HA 0.496 5.046 4.550 -0.000 0.000 0.348 116 Y C 0.782 176.541 175.900 -0.236 0.000 1.267 116 Y CA -0.661 57.130 58.100 -0.516 0.000 1.486 116 Y CB -0.201 38.240 38.460 -0.033 0.000 1.356 116 Y HN 0.482 nan 8.280 nan 0.000 0.639 117 G N -0.874 107.992 108.800 0.110 0.000 2.828 117 G HA2 0.522 4.482 3.960 -0.000 0.000 0.244 117 G HA3 0.522 4.482 3.960 -0.000 0.000 0.244 117 G C 0.225 175.096 174.900 -0.047 0.000 1.365 117 G CA -0.959 44.122 45.100 -0.031 0.000 1.041 117 G HN 1.722 nan 8.290 nan 0.000 0.560 118 G N -2.723 105.912 108.800 -0.274 0.000 2.223 118 G HA2 0.411 4.371 3.960 -0.000 0.000 0.200 118 G HA3 0.411 4.371 3.960 -0.000 0.000 0.200 118 G C 1.059 175.532 174.900 -0.712 0.000 1.061 118 G CA 0.732 45.553 45.100 -0.465 0.000 0.790 118 G HN 2.322 nan 8.290 nan 0.000 0.498 119 G N -0.519 107.887 108.800 -0.657 0.000 2.180 119 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.263 119 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.263 119 G C 0.917 175.691 174.900 -0.209 0.000 0.989 119 G CA 0.891 45.476 45.100 -0.858 0.000 0.692 119 G HN 1.804 nan 8.290 nan 0.000 0.526 120 F N -3.343 116.581 119.950 -0.042 0.000 2.840 120 F HA -0.280 4.247 4.527 -0.000 0.000 0.310 120 F C 1.327 177.267 175.800 0.233 0.000 0.688 120 F CA 2.000 60.076 58.000 0.128 0.000 1.286 120 F CB -2.090 36.855 39.000 -0.092 0.000 1.612 120 F HN 0.957 nan 8.300 nan 0.000 0.335 121 Y N -1.188 119.200 120.300 0.146 0.000 2.563 121 Y HA 0.668 5.218 4.550 -0.000 0.000 0.250 121 Y C 0.483 176.483 175.900 0.166 0.000 1.126 121 Y CA 0.272 58.468 58.100 0.160 0.000 1.231 121 Y CB 0.092 38.561 38.460 0.014 0.000 1.288 121 Y HN 0.119 nan 8.280 nan 0.000 0.537 122 S N -0.756 114.707 115.700 -0.395 0.000 2.661 122 S HA 0.862 5.332 4.470 -0.000 0.000 0.268 122 S C -0.274 174.131 174.600 -0.325 0.000 1.162 122 S CA -0.501 57.499 58.200 -0.334 0.000 0.817 122 S CB 1.353 64.261 63.200 -0.486 0.000 1.141 122 S HN 1.377 nan 8.310 nan 0.000 0.477 123 G N -0.284 108.294 108.800 -0.369 0.000 2.402 123 G HA2 0.433 4.393 3.960 -0.000 0.000 0.666 123 G HA3 0.433 4.393 3.960 -0.000 0.000 0.666 123 G C -1.025 173.222 174.900 -1.088 0.000 1.402 123 G CA -0.297 44.415 45.100 -0.646 0.000 0.920 123 G HN 1.400 nan 8.290 nan 0.000 0.651 124 S N -0.954 114.102 115.700 -1.074 0.000 2.564 124 S HA 0.721 5.191 4.470 -0.000 0.000 0.274 124 S C 0.954 175.413 174.600 -0.236 0.000 1.124 124 S CA 0.072 57.857 58.200 -0.692 0.000 0.869 124 S CB 1.836 64.846 63.200 -0.316 0.000 1.105 124 S HN 1.933 nan 8.310 nan 0.000 0.472 125 S N -0.339 115.443 115.700 0.136 0.000 2.558 125 S HA -0.028 4.442 4.470 -0.000 0.000 0.217 125 S C 1.269 175.974 174.600 0.174 0.000 0.975 125 S CA 0.721 59.182 58.200 0.436 0.000 0.912 125 S CB -0.565 62.899 63.200 0.440 0.000 0.776 125 S HN 0.834 nan 8.310 nan 0.000 0.526 126 T N 0.080 114.540 114.554 -0.157 0.000 3.105 126 T HA 0.425 4.775 4.350 -0.000 0.000 0.253 126 T C 0.515 174.942 174.700 -0.456 0.000 1.047 126 T CA -0.562 61.146 62.100 -0.652 0.000 0.944 126 T CB -0.547 67.798 68.868 -0.871 0.000 1.016 126 T HN 0.295 nan 8.240 nan 0.000 0.544 127 L N 1.776 122.813 121.223 -0.311 0.000 2.492 127 L HA 0.152 4.492 4.340 -0.000 0.000 0.280 127 L C 1.390 178.036 176.870 -0.373 0.000 1.240 127 L CA -0.401 54.173 54.840 -0.442 0.000 0.831 127 L CB 0.342 41.927 42.059 -0.789 0.000 1.100 127 L HN 0.098 nan 8.230 nan 0.000 0.505 128 D N 0.673 120.863 120.400 -0.351 0.000 2.178 128 D HA -0.123 4.517 4.640 -0.000 0.000 0.202 128 D C 1.925 178.035 176.300 -0.316 0.000 0.974 128 D CA 0.897 54.758 54.000 -0.232 0.000 0.841 128 D CB 0.171 40.848 40.800 -0.205 0.000 0.953 128 D HN 0.373 nan 8.370 nan 0.000 0.478 129 V N 0.490 120.075 119.914 -0.548 0.000 3.141 129 V HA -0.198 3.922 4.120 -0.000 0.000 0.265 129 V C 0.780 176.476 176.094 -0.663 0.000 1.126 129 V CA 1.149 63.098 62.300 -0.584 0.000 1.141 129 V CB -0.528 30.852 31.823 -0.739 0.000 0.743 129 V HN 0.128 nan 8.190 nan 0.000 0.492 130 Y N -0.639 119.249 120.300 -0.687 0.000 2.485 130 Y HA 0.391 4.941 4.550 -0.000 0.000 0.260 130 Y C 1.072 176.649 175.900 -0.538 0.000 1.173 130 Y CA -1.401 56.073 58.100 -1.042 0.000 1.252 130 Y CB -1.026 37.087 38.460 -0.579 0.000 1.123 130 Y HN 0.216 nan 8.280 nan 0.000 0.524 131 N N 1.599 120.199 118.700 -0.166 0.000 2.417 131 N HA -0.051 4.689 4.740 -0.000 0.000 0.272 131 N C 1.301 176.608 175.510 -0.339 0.000 1.304 131 N CA 0.720 53.700 53.050 -0.117 0.000 0.906 131 N CB 1.016 39.520 38.487 0.029 0.000 1.135 131 N HN 0.483 nan 8.380 nan 0.000 0.483 132 G N 3.286 111.377 108.800 -1.182 0.000 2.920 132 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.208 132 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.208 132 G C 1.436 175.715 174.900 -1.035 0.000 1.159 132 G CA 0.277 44.694 45.100 -1.139 0.000 0.784 132 G HN 0.748 nan 8.290 nan 0.000 0.535 133 K N -0.345 119.380 120.400 -1.124 0.000 2.103 133 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 133 K C 1.760 178.157 176.600 -0.338 0.000 1.048 133 K CA 1.173 57.118 56.287 -0.570 0.000 0.930 133 K CB -0.559 31.675 32.500 -0.445 0.000 0.716 133 K HN 0.382 nan 8.250 nan 0.000 0.444 134 Y N 1.004 121.220 120.300 -0.140 0.000 2.163 134 Y HA -0.153 4.397 4.550 -0.000 0.000 0.288 134 Y C 2.422 178.317 175.900 -0.008 0.000 1.136 134 Y CA 0.683 58.746 58.100 -0.061 0.000 1.147 134 Y CB -0.346 38.055 38.460 -0.099 0.000 0.987 134 Y HN 0.031 nan 8.280 nan 0.000 0.509 135 L N 0.373 121.635 121.223 0.065 0.000 2.027 135 L HA -0.063 4.277 4.340 -0.000 0.000 0.206 135 L C 2.375 179.264 176.870 0.033 0.000 1.074 135 L CA 1.900 56.733 54.840 -0.011 0.000 0.745 135 L CB -1.169 40.786 42.059 -0.173 0.000 0.898 135 L HN 0.140 nan 8.230 nan 0.000 0.433 136 A N -1.348 121.500 122.820 0.046 0.000 1.902 136 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 136 A C 2.319 179.989 177.584 0.143 0.000 1.181 136 A CA 1.964 54.074 52.037 0.123 0.000 0.623 136 A CB -1.184 17.948 19.000 0.221 0.000 0.818 136 A HN 0.658 nan 8.150 nan 0.000 0.443 137 Y N 0.923 121.247 120.300 0.040 0.000 2.184 137 Y HA -0.128 4.422 4.550 -0.000 0.000 0.290 137 Y C 2.578 178.505 175.900 0.044 0.000 1.129 137 Y CA 2.270 60.398 58.100 0.047 0.000 1.144 137 Y CB -0.549 37.924 38.460 0.021 0.000 0.995 137 Y HN 0.278 nan 8.280 nan 0.000 0.513 138 T N 0.297 114.943 114.554 0.154 0.000 2.821 138 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 138 T C 1.203 175.890 174.700 -0.021 0.000 1.046 138 T CA 1.572 63.702 62.100 0.050 0.000 1.139 138 T CB -0.075 68.874 68.868 0.136 0.000 0.871 138 T HN 0.303 nan 8.240 nan 0.000 0.454 139 E N 0.665 120.872 120.200 0.012 0.000 2.481 139 E HA 0.117 4.467 4.350 -0.000 0.000 0.198 139 E C 0.028 176.631 176.600 0.006 0.000 1.027 139 E CA -0.004 56.414 56.400 0.030 0.000 0.900 139 E CB 0.096 29.823 29.700 0.047 0.000 0.993 139 E HN 0.576 nan 8.360 nan 0.000 0.482 140 E N 0.244 120.429 120.200 -0.025 0.000 2.252 140 E HA -0.174 4.176 4.350 -0.000 0.000 0.218 140 E C -0.036 176.582 176.600 0.029 0.000 1.253 140 E CA 0.510 56.902 56.400 -0.014 0.000 0.705 140 E CB -1.856 27.823 29.700 -0.035 0.000 1.172 140 E HN 0.147 nan 8.360 nan 0.000 0.369 141 V N -3.842 116.105 119.914 0.054 0.000 3.046 141 V HA 0.676 4.796 4.120 -0.000 0.000 0.316 141 V C 0.324 176.491 176.094 0.121 0.000 1.104 141 V CA -1.077 61.263 62.300 0.067 0.000 1.006 141 V CB 2.325 34.173 31.823 0.042 0.000 1.058 141 V HN -0.044 nan 8.190 nan 0.000 0.440 142 V N 3.341 123.332 119.914 0.129 0.000 2.368 142 V HA 0.375 4.495 4.120 -0.000 0.000 0.266 142 V C -0.144 176.075 176.094 0.208 0.000 1.045 142 V CA -0.120 62.287 62.300 0.178 0.000 0.899 142 V CB 0.787 32.699 31.823 0.147 0.000 1.006 142 V HN 0.744 nan 8.190 nan 0.000 0.470 143 L N 7.496 128.900 121.223 0.301 0.000 2.282 143 L HA 0.638 4.978 4.340 -0.000 0.000 0.288 143 L C -0.332 176.835 176.870 0.495 0.000 1.033 143 L CA 0.226 55.292 54.840 0.377 0.000 0.807 143 L CB 1.661 43.929 42.059 0.349 0.000 1.209 143 L HN 0.396 nan 8.230 nan 0.000 0.423 144 V N 3.813 123.985 119.914 0.431 0.000 2.555 144 V HA 0.548 4.668 4.120 -0.000 0.000 0.302 144 V C -0.151 176.214 176.094 0.451 0.000 1.038 144 V CA -0.551 61.973 62.300 0.372 0.000 0.887 144 V CB 1.793 33.746 31.823 0.216 0.000 0.991 144 V HN 0.807 nan 8.190 nan 0.000 0.434 145 S N 4.931 120.911 115.700 0.465 0.000 2.474 145 S HA 0.731 5.201 4.470 -0.000 0.000 0.321 145 S C -0.630 174.142 174.600 0.286 0.000 1.080 145 S CA -0.624 57.871 58.200 0.492 0.000 1.106 145 S CB 0.428 64.055 63.200 0.712 0.000 0.984 145 S HN 0.603 nan 8.310 nan 0.000 0.464 146 L N 3.362 124.688 121.223 0.172 0.000 2.347 146 L HA 1.004 5.344 4.340 -0.000 0.000 0.268 146 L C -0.023 176.939 176.870 0.154 0.000 1.019 146 L CA -0.627 54.265 54.840 0.086 0.000 0.806 146 L CB 1.013 43.010 42.059 -0.103 0.000 1.339 146 L HN 0.560 nan 8.230 nan 0.000 0.463 147 S N -1.259 114.592 115.700 0.252 0.000 2.651 147 S HA 0.910 5.380 4.470 -0.000 0.000 0.279 147 S C -1.306 173.535 174.600 0.402 0.000 1.148 147 S CA -0.491 57.901 58.200 0.319 0.000 0.837 147 S CB 1.557 65.012 63.200 0.425 0.000 1.138 147 S HN 1.308 nan 8.310 nan 0.000 0.478 148 Y N -1.861 118.556 120.300 0.195 0.000 2.565 148 Y HA 0.649 5.199 4.550 -0.000 0.000 0.330 148 Y C -0.847 175.191 175.900 0.229 0.000 1.150 148 Y CA -1.369 56.841 58.100 0.183 0.000 1.055 148 Y CB 0.632 39.156 38.460 0.106 0.000 1.337 148 Y HN 0.783 nan 8.280 nan 0.000 0.457 149 R N 2.067 122.687 120.500 0.199 0.000 2.522 149 R HA 0.470 4.810 4.340 -0.000 0.000 0.284 149 R C -0.092 176.337 176.300 0.216 0.000 1.032 149 R CA 0.037 56.211 56.100 0.123 0.000 1.049 149 R CB 0.639 30.983 30.300 0.074 0.000 0.956 149 R HN 0.690 nan 8.270 nan 0.000 0.422 150 V N 0.041 120.111 119.914 0.259 0.000 3.166 150 V HA 0.894 5.014 4.120 -0.000 0.000 0.317 150 V C 0.792 177.190 176.094 0.507 0.000 1.136 150 V CA -0.052 62.522 62.300 0.457 0.000 1.035 150 V CB 1.267 33.254 31.823 0.273 0.000 1.110 150 V HN 0.979 nan 8.190 nan 0.000 0.450 151 G N 0.917 110.072 108.800 0.592 0.000 2.552 151 G HA2 0.001 3.961 3.960 -0.000 0.000 0.265 151 G HA3 0.001 3.961 3.960 -0.000 0.000 0.265 151 G C 0.998 176.079 174.900 0.303 0.000 1.234 151 G CA 0.993 46.388 45.100 0.492 0.000 0.944 151 G HN 2.182 nan 8.290 nan 0.000 0.568 152 A N -1.306 121.395 122.820 -0.199 0.000 1.933 152 A HA 0.270 4.590 4.320 -0.000 0.000 0.218 152 A C 2.249 179.682 177.584 -0.251 0.000 1.175 152 A CA 2.497 54.064 52.037 -0.785 0.000 0.628 152 A CB -0.503 17.827 19.000 -1.117 0.000 0.814 152 A HN 0.955 nan 8.150 nan 0.000 0.444 153 F N 0.157 120.145 119.950 0.063 0.000 2.202 153 F HA -0.061 4.466 4.527 -0.000 0.000 0.301 153 F C 2.399 178.190 175.800 -0.015 0.000 1.082 153 F CA 1.261 59.265 58.000 0.006 0.000 1.313 153 F CB -0.602 38.362 39.000 -0.060 0.000 1.024 153 F HN 0.297 nan 8.300 nan 0.000 0.495 154 G N -2.808 106.048 108.800 0.093 0.000 3.044 154 G HA2 0.120 4.080 3.960 -0.000 0.000 0.223 154 G HA3 0.120 4.080 3.960 -0.000 0.000 0.223 154 G C 0.576 174.945 174.900 -0.885 0.000 1.123 154 G CA 0.060 44.966 45.100 -0.323 0.000 0.765 154 G HN 0.325 nan 8.290 nan 0.000 0.546 155 F N -0.563 119.461 119.950 0.122 0.000 2.936 155 F HA 0.396 4.923 4.527 -0.000 0.000 0.334 155 F C 0.206 176.034 175.800 0.048 0.000 1.170 155 F CA -1.058 56.994 58.000 0.087 0.000 1.104 155 F CB 0.362 39.438 39.000 0.127 0.000 1.216 155 F HN -0.080 nan 8.300 nan 0.000 0.518 156 L N 2.381 123.580 121.223 -0.039 0.000 2.559 156 L HA 0.491 4.831 4.340 -0.000 0.000 0.274 156 L C 0.122 176.955 176.870 -0.062 0.000 1.205 156 L CA 0.230 54.939 54.840 -0.217 0.000 0.907 156 L CB 0.234 41.901 42.059 -0.653 0.000 1.153 156 L HN 0.173 nan 8.230 nan 0.000 0.490 157 A N 6.846 129.679 122.820 0.022 0.000 2.353 157 A HA 0.678 4.998 4.320 -0.000 0.000 0.299 157 A C -0.952 176.648 177.584 0.027 0.000 1.089 157 A CA -0.493 51.569 52.037 0.040 0.000 0.736 157 A CB 0.771 19.826 19.000 0.092 0.000 1.195 157 A HN 0.698 nan 8.150 nan 0.000 0.447 158 L N 3.516 124.750 121.223 0.019 0.000 2.495 158 L HA 0.241 4.580 4.340 -0.000 0.000 0.248 158 L C -0.140 176.773 176.870 0.072 0.000 1.229 158 L CA -0.802 54.052 54.840 0.024 0.000 0.942 158 L CB 0.573 42.614 42.059 -0.031 0.000 1.242 158 L HN 0.898 nan 8.230 nan 0.000 0.484 159 H N 1.751 120.823 119.070 0.003 0.000 3.167 159 H HA 0.209 4.765 4.556 -0.000 0.000 0.306 159 H C 1.103 176.438 175.328 0.010 0.000 0.965 159 H CA 1.798 57.855 56.048 0.014 0.000 1.408 159 H CB 0.728 30.501 29.762 0.019 0.000 1.406 159 H HN 0.722 nan 8.280 nan 0.000 0.576 160 G N 2.548 111.138 108.800 -0.349 0.000 2.491 160 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.203 160 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.203 160 G C 0.516 175.343 174.900 -0.123 0.000 1.052 160 G CA 0.132 45.085 45.100 -0.246 0.000 0.675 160 G HN 0.885 nan 8.290 nan 0.000 0.504 161 S N 0.293 115.953 115.700 -0.067 0.000 2.603 161 S HA 0.547 5.017 4.470 -0.000 0.000 0.268 161 S C 0.951 175.540 174.600 -0.017 0.000 1.317 161 S CA 0.501 58.684 58.200 -0.030 0.000 1.012 161 S CB 1.215 64.406 63.200 -0.015 0.000 0.926 161 S HN 0.306 nan 8.310 nan 0.000 0.539 162 Q N 1.216 121.016 119.800 0.001 0.000 2.217 162 Q HA 0.226 4.566 4.340 -0.000 0.000 0.217 162 Q C 0.585 176.606 176.000 0.034 0.000 0.844 162 Q CA -0.031 55.781 55.803 0.015 0.000 0.957 162 Q CB 0.577 29.322 28.738 0.012 0.000 1.127 162 Q HN 0.685 nan 8.270 nan 0.000 0.503 163 E N 0.363 120.586 120.200 0.039 0.000 2.307 163 E HA 0.160 4.510 4.350 -0.000 0.000 0.195 163 E C 0.217 176.872 176.600 0.092 0.000 0.975 163 E CA 0.379 56.819 56.400 0.067 0.000 0.878 163 E CB 0.837 30.579 29.700 0.070 0.000 0.845 163 E HN 0.103 nan 8.360 nan 0.000 0.488 164 A N 2.039 124.888 122.820 0.048 0.000 3.370 164 A HA 0.286 4.606 4.320 -0.000 0.000 0.295 164 A C -2.031 175.561 177.584 0.013 0.000 1.030 164 A CA -0.862 51.188 52.037 0.022 0.000 0.883 164 A CB 0.590 19.516 19.000 -0.122 0.000 1.191 164 A HN -0.119 nan 8.150 nan 0.000 0.507 165 P HA 0.115 nan 4.420 nan 0.000 0.223 165 P C 0.893 178.250 177.300 0.096 0.000 1.151 165 P CA 1.826 64.968 63.100 0.070 0.000 0.787 165 P CB 0.202 31.945 31.700 0.071 0.000 0.788 166 G N 0.468 109.307 108.800 0.065 0.000 2.662 166 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.686 166 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.686 166 G C -0.142 174.789 174.900 0.053 0.000 1.271 166 G CA -0.299 44.847 45.100 0.077 0.000 0.816 166 G HN 0.123 nan 8.290 nan 0.000 0.608 167 N N -2.280 116.467 118.700 0.078 0.000 2.778 167 N HA -0.286 4.454 4.740 -0.000 0.000 0.249 167 N C 1.916 177.335 175.510 -0.152 0.000 1.069 167 N CA 2.372 55.413 53.050 -0.014 0.000 0.831 167 N CB -1.645 36.743 38.487 -0.165 0.000 1.142 167 N HN 1.860 nan 8.380 nan 0.000 0.573 168 V N -2.956 116.850 119.914 -0.181 0.000 2.720 168 V HA 0.002 4.121 4.120 -0.000 0.000 0.256 168 V C 2.321 178.298 176.094 -0.195 0.000 1.082 168 V CA 2.204 64.425 62.300 -0.133 0.000 1.101 168 V CB -0.861 30.919 31.823 -0.073 0.000 0.693 168 V HN 0.284 nan 8.190 nan 0.000 0.479 169 G N 0.343 108.820 108.800 -0.538 0.000 2.408 169 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 169 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 169 G C 1.536 176.441 174.900 0.007 0.000 1.150 169 G CA 0.939 45.839 45.100 -0.333 0.000 0.776 169 G HN 0.519 nan 8.290 nan 0.000 0.542 170 L N -0.117 121.088 121.223 -0.030 0.000 2.156 170 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 170 L C 2.761 179.684 176.870 0.088 0.000 1.095 170 L CA 0.332 55.120 54.840 -0.087 0.000 0.770 170 L CB -0.206 41.500 42.059 -0.589 0.000 0.914 170 L HN 0.181 nan 8.230 nan 0.000 0.439 171 L N -0.741 120.529 121.223 0.078 0.000 2.156 171 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 171 L C 2.096 179.065 176.870 0.164 0.000 1.095 171 L CA 0.727 55.675 54.840 0.179 0.000 0.770 171 L CB -0.525 41.616 42.059 0.136 0.000 0.914 171 L HN 0.256 nan 8.230 nan 0.000 0.439 172 D N -0.041 120.452 120.400 0.155 0.000 2.117 172 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 172 D C 2.270 178.664 176.300 0.157 0.000 0.987 172 D CA 1.151 55.304 54.000 0.255 0.000 0.829 172 D CB -0.095 40.889 40.800 0.307 0.000 0.961 172 D HN 0.409 nan 8.370 nan 0.000 0.460 173 Q N 0.187 120.036 119.800 0.083 0.000 2.050 173 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 173 Q C 2.305 178.244 176.000 -0.102 0.000 0.980 173 Q CA 0.966 56.738 55.803 -0.052 0.000 0.840 173 Q CB -0.060 28.681 28.738 0.006 0.000 0.898 173 Q HN 0.191 nan 8.270 nan 0.000 0.424 174 R N 0.686 121.222 120.500 0.061 0.000 2.083 174 R HA -0.195 4.145 4.340 -0.000 0.000 0.237 174 R C 2.239 178.528 176.300 -0.017 0.000 1.137 174 R CA 1.801 57.917 56.100 0.026 0.000 0.951 174 R CB -0.220 30.185 30.300 0.175 0.000 0.851 174 R HN 0.241 nan 8.270 nan 0.000 0.434 175 M N 0.057 119.676 119.600 0.031 0.000 2.149 175 M HA -0.123 4.356 4.480 -0.000 0.000 0.261 175 M C 2.034 178.289 176.300 -0.075 0.000 1.064 175 M CA 2.040 57.382 55.300 0.070 0.000 1.102 175 M CB -0.010 32.730 32.600 0.233 0.000 1.369 175 M HN 0.331 nan 8.290 nan 0.000 0.408 176 A N 0.012 122.545 122.820 -0.478 0.000 1.930 176 A HA -0.071 4.248 4.320 -0.000 0.000 0.217 176 A C 2.013 179.484 177.584 -0.189 0.000 1.175 176 A CA 1.306 52.889 52.037 -0.756 0.000 0.627 176 A CB -0.909 17.403 19.000 -1.148 0.000 0.815 176 A HN 0.565 nan 8.150 nan 0.000 0.443 177 L N -0.991 120.144 121.223 -0.148 0.000 2.093 177 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 177 L C 2.824 179.732 176.870 0.063 0.000 1.085 177 L CA 1.670 56.487 54.840 -0.038 0.000 0.755 177 L CB -0.485 41.515 42.059 -0.100 0.000 0.904 177 L HN 0.474 nan 8.230 nan 0.000 0.435 178 Q N -0.298 119.531 119.800 0.048 0.000 2.124 178 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 178 Q C 1.982 178.080 176.000 0.163 0.000 0.977 178 Q CA 1.831 57.678 55.803 0.072 0.000 0.850 178 Q CB -0.437 28.332 28.738 0.052 0.000 0.901 178 Q HN 0.497 nan 8.270 nan 0.000 0.429 179 W N -0.853 120.458 121.300 0.018 0.000 2.381 179 W HA -0.122 4.538 4.660 -0.000 0.000 0.301 179 W C 1.715 178.272 176.519 0.063 0.000 1.205 179 W CA 1.559 58.941 57.345 0.061 0.000 1.285 179 W CB -0.074 29.420 29.460 0.056 0.000 1.133 179 W HN -0.006 nan 8.180 nan 0.000 0.521 180 V N 0.191 120.314 119.914 0.347 0.000 2.427 180 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 180 V C 2.521 178.629 176.094 0.024 0.000 1.051 180 V CA 2.283 64.706 62.300 0.205 0.000 1.048 180 V CB -1.292 30.651 31.823 0.201 0.000 0.666 180 V HN 0.358 nan 8.190 nan 0.000 0.456 181 H N 0.404 119.454 119.070 -0.034 0.000 2.421 181 H HA -0.150 4.405 4.556 -0.000 0.000 0.298 181 H C 1.646 176.887 175.328 -0.146 0.000 1.087 181 H CA 1.902 57.908 56.048 -0.071 0.000 1.330 181 H CB 0.156 29.896 29.762 -0.036 0.000 1.388 181 H HN 0.437 nan 8.280 nan 0.000 0.526 182 D N -0.613 119.736 120.400 -0.083 0.000 2.355 182 D HA -0.000 4.640 4.640 -0.000 0.000 0.206 182 D C 1.124 177.218 176.300 -0.343 0.000 1.010 182 D CA 0.266 54.157 54.000 -0.181 0.000 0.875 182 D CB 0.183 40.932 40.800 -0.084 0.000 0.966 182 D HN 0.428 nan 8.370 nan 0.000 0.512 183 N N -0.095 118.309 118.700 -0.493 0.000 2.168 183 N HA 0.037 4.777 4.740 -0.000 0.000 0.216 183 N C 1.415 176.777 175.510 -0.247 0.000 1.259 183 N CA -0.150 52.641 53.050 -0.432 0.000 0.902 183 N CB 1.194 39.138 38.487 -0.906 0.000 1.079 183 N HN -0.004 nan 8.380 nan 0.000 0.507 184 I N 3.181 123.616 120.570 -0.225 0.000 2.454 184 I HA -0.242 3.928 4.170 -0.000 0.000 0.254 184 I C 2.560 178.660 176.117 -0.029 0.000 1.156 184 I CA 1.393 62.700 61.300 0.011 0.000 1.433 184 I CB -0.223 37.774 38.000 -0.005 0.000 1.082 184 I HN 0.193 nan 8.210 nan 0.000 0.432 185 Q N -0.827 118.776 119.800 -0.329 0.000 2.234 185 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 185 Q C 1.776 177.595 176.000 -0.302 0.000 0.980 185 Q CA 1.648 57.232 55.803 -0.365 0.000 0.869 185 Q CB -0.859 27.549 28.738 -0.549 0.000 0.912 185 Q HN 0.408 nan 8.270 nan 0.000 0.436 186 F N -0.332 119.569 119.950 -0.082 0.000 2.699 186 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 186 F C 0.707 176.256 175.800 -0.418 0.000 1.154 186 F CA 0.180 58.028 58.000 -0.254 0.000 1.457 186 F CB -0.073 38.703 39.000 -0.372 0.000 1.106 186 F HN 0.006 nan 8.300 nan 0.000 0.585 187 F N -0.723 119.229 119.950 0.004 0.000 2.654 187 F HA 0.450 4.977 4.527 -0.000 0.000 0.303 187 F C 1.633 177.436 175.800 0.005 0.000 1.099 187 F CA 0.037 58.015 58.000 -0.036 0.000 1.270 187 F CB 0.180 39.120 39.000 -0.100 0.000 1.024 187 F HN -0.001 nan 8.300 nan 0.000 0.548 188 G N 0.452 109.320 108.800 0.113 0.000 2.141 188 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.242 188 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.242 188 G C 0.434 175.372 174.900 0.063 0.000 0.982 188 G CA -0.178 44.968 45.100 0.078 0.000 0.662 188 G HN 0.754 nan 8.290 nan 0.000 0.527 189 G N -0.738 108.096 108.800 0.057 0.000 2.453 189 G HA2 0.554 4.514 3.960 -0.000 0.000 0.323 189 G HA3 0.554 4.514 3.960 -0.000 0.000 0.323 189 G C -1.067 173.818 174.900 -0.024 0.000 1.198 189 G CA 0.075 45.194 45.100 0.032 0.000 0.959 189 G HN 0.305 nan 8.290 nan 0.000 0.482 190 D N 1.330 121.713 120.400 -0.029 0.000 2.339 190 D HA 0.280 4.919 4.640 -0.000 0.000 0.241 190 D C -0.939 175.321 176.300 -0.068 0.000 1.183 190 D CA -2.260 51.703 54.000 -0.061 0.000 0.859 190 D CB 1.820 42.590 40.800 -0.050 0.000 1.067 190 D HN 0.065 nan 8.370 nan 0.000 0.484 191 P HA -0.109 nan 4.420 nan 0.000 0.230 191 P C 0.381 177.632 177.300 -0.082 0.000 1.158 191 P CA 0.719 63.742 63.100 -0.129 0.000 0.769 191 P CB 0.286 31.810 31.700 -0.293 0.000 0.807 192 K N -0.631 119.721 120.400 -0.081 0.000 2.444 192 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 192 K C 0.164 176.744 176.600 -0.034 0.000 1.024 192 K CA 0.595 56.850 56.287 -0.053 0.000 1.077 192 K CB 0.102 32.565 32.500 -0.062 0.000 0.833 192 K HN 0.041 nan 8.250 nan 0.000 0.517 193 T N 0.979 115.517 114.554 -0.027 0.000 3.542 193 T HA 0.140 4.490 4.350 -0.000 0.000 0.276 193 T C -1.101 173.601 174.700 0.004 0.000 1.412 193 T CA -0.402 61.683 62.100 -0.024 0.000 1.664 193 T CB 0.838 69.681 68.868 -0.043 0.000 0.863 193 T HN -0.103 nan 8.240 nan 0.000 0.661 194 V N 1.904 121.847 119.914 0.047 0.000 2.459 194 V HA 0.692 4.812 4.120 -0.000 0.000 0.295 194 V C -0.495 175.680 176.094 0.134 0.000 1.029 194 V CA -0.004 62.351 62.300 0.092 0.000 0.874 194 V CB 1.682 33.581 31.823 0.127 0.000 0.985 194 V HN 0.562 nan 8.190 nan 0.000 0.438 195 T N 8.551 123.167 114.554 0.105 0.000 2.771 195 T HA 0.532 4.882 4.350 -0.000 0.000 0.281 195 T C -0.142 174.657 174.700 0.165 0.000 0.982 195 T CA -0.132 62.039 62.100 0.119 0.000 0.978 195 T CB 0.735 69.616 68.868 0.022 0.000 0.930 195 T HN 0.775 nan 8.240 nan 0.000 0.447 196 I N 1.938 122.583 120.570 0.125 0.000 2.353 196 I HA 0.835 5.005 4.170 -0.000 0.000 0.293 196 I C -0.894 175.380 176.117 0.262 0.000 0.992 196 I CA -0.958 60.401 61.300 0.098 0.000 1.268 196 I CB 0.739 38.569 38.000 -0.285 0.000 1.387 196 I HN 0.458 nan 8.210 nan 0.000 0.478 197 F N 3.428 123.395 119.950 0.028 0.000 2.591 197 F HA 1.004 5.531 4.527 -0.000 0.000 0.309 197 F C -0.432 175.336 175.800 -0.054 0.000 1.098 197 F CA -1.492 56.564 58.000 0.092 0.000 0.937 197 F CB 1.338 40.512 39.000 0.291 0.000 1.250 197 F HN 0.793 nan 8.300 nan 0.000 0.447 198 G N 1.301 110.002 108.800 -0.166 0.000 2.677 198 G HA2 0.490 4.450 3.960 -0.000 0.000 0.291 198 G HA3 0.490 4.450 3.960 -0.000 0.000 0.291 198 G C -2.458 172.303 174.900 -0.232 0.000 1.435 198 G CA -0.798 43.885 45.100 -0.694 0.000 0.826 198 G HN 0.846 nan 8.290 nan 0.000 0.491 199 E N 0.471 120.515 120.200 -0.260 0.000 2.207 199 E HA 0.623 4.973 4.350 -0.000 0.000 0.270 199 E C 0.809 177.376 176.600 -0.054 0.000 0.927 199 E CA 0.261 56.674 56.400 0.023 0.000 0.799 199 E CB 2.007 31.835 29.700 0.214 0.000 1.172 199 E HN 0.690 nan 8.360 nan 0.000 0.404 200 S N 2.565 118.286 115.700 0.035 0.000 4.139 200 S HA -0.396 4.074 4.470 -0.000 0.000 0.603 200 S C 1.439 176.137 174.600 0.164 0.000 1.897 200 S CA 2.131 60.427 58.200 0.160 0.000 4.241 200 S CB -1.590 61.651 63.200 0.069 0.000 0.221 200 S HN 0.902 nan 8.310 nan 0.000 0.488 201 A N 1.013 123.811 122.820 -0.035 0.000 2.070 201 A HA 0.215 4.535 4.320 -0.000 0.000 0.220 201 A C 2.349 179.694 177.584 -0.399 0.000 1.159 201 A CA 2.206 54.017 52.037 -0.377 0.000 0.656 201 A CB -1.372 17.019 19.000 -1.016 0.000 0.800 201 A HN 1.420 nan 8.150 nan 0.000 0.453 202 G N -0.563 108.068 108.800 -0.282 0.000 2.403 202 G HA2 0.097 4.057 3.960 -0.000 0.000 0.216 202 G HA3 0.097 4.057 3.960 -0.000 0.000 0.216 202 G C 1.458 176.202 174.900 -0.260 0.000 1.154 202 G CA 1.074 45.963 45.100 -0.352 0.000 0.784 202 G HN 0.630 nan 8.290 nan 0.000 0.538 203 G N 0.955 109.662 108.800 -0.154 0.000 2.403 203 G HA2 0.121 4.081 3.960 -0.000 0.000 0.216 203 G HA3 0.121 4.081 3.960 -0.000 0.000 0.216 203 G C 1.987 176.809 174.900 -0.130 0.000 1.154 203 G CA 1.383 46.422 45.100 -0.101 0.000 0.784 203 G HN 0.582 nan 8.290 nan 0.000 0.538 204 A N 0.871 123.641 122.820 -0.083 0.000 1.898 204 A HA 0.057 4.377 4.320 -0.000 0.000 0.216 204 A C 2.691 180.241 177.584 -0.058 0.000 1.181 204 A CA 2.113 54.084 52.037 -0.111 0.000 0.620 204 A CB -0.576 18.401 19.000 -0.040 0.000 0.819 204 A HN 0.289 nan 8.150 nan 0.000 0.442 205 S N -0.208 115.485 115.700 -0.012 0.000 2.353 205 S HA -0.168 4.302 4.470 -0.000 0.000 0.222 205 S C 1.913 176.464 174.600 -0.082 0.000 1.035 205 S CA 1.572 59.745 58.200 -0.044 0.000 1.025 205 S CB -0.640 62.489 63.200 -0.118 0.000 0.902 205 S HN 0.348 nan 8.310 nan 0.000 0.440 206 V N 1.695 121.561 119.914 -0.079 0.000 2.324 206 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 206 V C 2.582 178.640 176.094 -0.059 0.000 1.060 206 V CA 2.023 64.281 62.300 -0.071 0.000 1.042 206 V CB -1.493 30.261 31.823 -0.116 0.000 0.650 206 V HN 0.622 nan 8.190 nan 0.000 0.450 207 G N -1.196 107.520 108.800 -0.140 0.000 2.443 207 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 207 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 207 G C 1.562 176.471 174.900 0.015 0.000 1.131 207 G CA 0.751 45.740 45.100 -0.185 0.000 0.775 207 G HN 0.465 nan 8.290 nan 0.000 0.547 208 M N -0.338 119.285 119.600 0.038 0.000 2.288 208 M HA 0.075 4.555 4.480 -0.000 0.000 0.266 208 M C 2.206 178.603 176.300 0.163 0.000 1.072 208 M CA 0.709 56.144 55.300 0.224 0.000 1.132 208 M CB -0.160 32.588 32.600 0.248 0.000 1.386 208 M HN 0.160 nan 8.290 nan 0.000 0.432 209 H N 0.051 119.230 119.070 0.182 0.000 2.428 209 H HA 0.063 4.619 4.556 -0.000 0.000 0.296 209 H C 2.089 177.604 175.328 0.312 0.000 1.062 209 H CA 1.227 57.372 56.048 0.162 0.000 1.350 209 H CB -0.088 29.664 29.762 -0.016 0.000 1.403 209 H HN 0.396 nan 8.280 nan 0.000 0.533 210 I N 0.548 121.387 120.570 0.448 0.000 2.394 210 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 210 I C 2.078 178.441 176.117 0.409 0.000 1.136 210 I CA 0.887 62.502 61.300 0.524 0.000 1.425 210 I CB -0.034 38.221 38.000 0.425 0.000 1.079 210 I HN 0.137 nan 8.210 nan 0.000 0.425 211 L N -0.741 120.685 121.223 0.337 0.000 2.202 211 L HA 0.019 4.359 4.340 -0.000 0.000 0.205 211 L C 1.478 178.453 176.870 0.175 0.000 1.083 211 L CA 0.152 55.188 54.840 0.327 0.000 0.790 211 L CB -0.186 42.105 42.059 0.387 0.000 0.942 211 L HN 0.052 nan 8.230 nan 0.000 0.452 212 S N 0.320 116.023 115.700 0.005 0.000 2.455 212 S HA 0.135 4.605 4.470 -0.000 0.000 0.278 212 S C -1.531 172.947 174.600 -0.204 0.000 1.216 212 S CA -1.358 56.651 58.200 -0.319 0.000 1.055 212 S CB 0.948 63.521 63.200 -1.046 0.000 0.939 212 S HN -0.085 nan 8.310 nan 0.000 0.494 213 P HA -0.042 nan 4.420 nan 0.000 0.218 213 P C 1.273 178.489 177.300 -0.141 0.000 1.146 213 P CA 0.977 64.008 63.100 -0.114 0.000 0.813 213 P CB -0.024 31.617 31.700 -0.097 0.000 0.778 214 G N -1.781 106.881 108.800 -0.230 0.000 2.813 214 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.209 214 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.209 214 G C 1.299 176.121 174.900 -0.130 0.000 1.150 214 G CA 0.344 45.329 45.100 -0.193 0.000 0.785 214 G HN 0.216 nan 8.290 nan 0.000 0.535 215 S N -0.360 115.290 115.700 -0.082 0.000 2.514 215 S HA 0.124 4.594 4.470 -0.000 0.000 0.223 215 S C 2.158 176.855 174.600 0.162 0.000 1.046 215 S CA -0.444 57.818 58.200 0.103 0.000 0.914 215 S CB 0.210 63.614 63.200 0.340 0.000 0.807 215 S HN 0.308 nan 8.310 nan 0.000 0.497 216 R N 2.087 122.617 120.500 0.050 0.000 2.134 216 R HA -0.152 4.188 4.340 -0.000 0.000 0.248 216 R C 0.718 176.825 176.300 -0.322 0.000 1.143 216 R CA 1.815 57.829 56.100 -0.144 0.000 0.957 216 R CB -0.513 29.732 30.300 -0.091 0.000 0.867 216 R HN 0.353 nan 8.270 nan 0.000 0.441 217 D N 0.290 120.583 120.400 -0.180 0.000 2.349 217 D HA -0.005 4.635 4.640 -0.000 0.000 0.224 217 D C 1.219 177.439 176.300 -0.133 0.000 1.029 217 D CA 0.602 54.500 54.000 -0.170 0.000 0.879 217 D CB 0.214 40.936 40.800 -0.130 0.000 0.906 217 D HN 0.289 nan 8.370 nan 0.000 0.528 218 L N -0.059 121.123 121.223 -0.069 0.000 2.607 218 L HA 0.171 4.511 4.340 -0.000 0.000 0.228 218 L C -0.087 176.929 176.870 0.244 0.000 1.123 218 L CA -0.048 54.830 54.840 0.063 0.000 0.890 218 L CB -0.132 41.969 42.059 0.069 0.000 1.103 218 L HN -0.077 nan 8.230 nan 0.000 0.468 219 F N -4.352 115.605 119.950 0.011 0.000 2.713 219 F HA 0.546 5.072 4.527 -0.000 0.000 0.311 219 F C 0.308 176.124 175.800 0.028 0.000 1.141 219 F CA -1.331 56.682 58.000 0.022 0.000 0.939 219 F CB 1.112 40.121 39.000 0.015 0.000 1.325 219 F HN -0.387 nan 8.300 nan 0.000 0.453 220 R N 0.865 121.431 120.500 0.110 0.000 2.074 220 R HA 0.469 4.808 4.340 -0.000 0.000 0.218 220 R C 0.018 176.363 176.300 0.075 0.000 1.137 220 R CA 1.140 57.240 56.100 0.000 0.000 0.998 220 R CB 0.226 30.524 30.300 -0.004 0.000 0.895 220 R HN 0.806 nan 8.270 nan 0.000 0.442 221 R N -1.489 119.141 120.500 0.217 0.000 2.905 221 R HA 0.770 5.110 4.340 -0.000 0.000 0.260 221 R C -1.447 175.089 176.300 0.392 0.000 1.086 221 R CA -0.736 55.506 56.100 0.237 0.000 0.978 221 R CB 2.125 32.388 30.300 -0.061 0.000 1.215 221 R HN 0.202 nan 8.270 nan 0.000 0.480 222 A N 1.110 124.155 122.820 0.374 0.000 2.520 222 A HA 0.635 4.955 4.320 -0.000 0.000 0.298 222 A C -1.196 176.497 177.584 0.181 0.000 1.051 222 A CA -0.615 51.571 52.037 0.248 0.000 0.690 222 A CB 1.209 20.319 19.000 0.184 0.000 1.281 222 A HN 0.559 nan 8.150 nan 0.000 0.402 223 I N 2.152 122.791 120.570 0.115 0.000 2.436 223 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 223 I C -1.381 174.786 176.117 0.083 0.000 1.010 223 I CA -0.652 60.648 61.300 -0.002 0.000 1.098 223 I CB 1.774 39.735 38.000 -0.065 0.000 1.266 223 I HN 0.446 nan 8.210 nan 0.000 0.434 224 L N 6.814 128.054 121.223 0.029 0.000 2.325 224 L HA 0.440 4.780 4.340 -0.000 0.000 0.281 224 L C -0.444 176.500 176.870 0.124 0.000 1.004 224 L CA -0.274 54.585 54.840 0.030 0.000 0.823 224 L CB 1.448 43.448 42.059 -0.098 0.000 1.236 224 L HN 0.493 nan 8.230 nan 0.000 0.415 225 Q N 1.880 121.807 119.800 0.211 0.000 2.348 225 Q HA 0.471 4.811 4.340 -0.000 0.000 0.265 225 Q C -0.033 176.081 176.000 0.190 0.000 0.998 225 Q CA -0.626 55.367 55.803 0.316 0.000 0.831 225 Q CB 1.562 30.588 28.738 0.481 0.000 1.251 225 Q HN 0.634 nan 8.270 nan 0.000 0.456 226 S N 1.173 116.969 115.700 0.159 0.000 3.559 226 S HA -0.153 4.316 4.470 -0.000 0.000 0.369 226 S C 0.004 174.745 174.600 0.235 0.000 0.987 226 S CA 0.617 58.929 58.200 0.186 0.000 1.187 226 S CB -1.121 62.194 63.200 0.191 0.000 0.914 226 S HN 0.995 nan 8.310 nan 0.000 0.480 227 G N -0.302 108.576 108.800 0.130 0.000 2.498 227 G HA2 0.566 4.526 3.960 -0.000 0.000 0.301 227 G HA3 0.566 4.526 3.960 -0.000 0.000 0.301 227 G C -0.965 173.871 174.900 -0.108 0.000 1.577 227 G CA 0.112 45.287 45.100 0.125 0.000 0.868 227 G HN 1.124 nan 8.290 nan 0.000 0.599 228 S N 1.517 117.072 115.700 -0.242 0.000 2.579 228 S HA 0.811 5.281 4.470 -0.000 0.000 0.272 228 S C -2.022 172.293 174.600 -0.475 0.000 1.141 228 S CA -1.059 56.852 58.200 -0.482 0.000 0.843 228 S CB 3.030 65.917 63.200 -0.522 0.000 1.122 228 S HN 0.431 nan 8.310 nan 0.000 0.468 229 P HA -0.145 nan 4.420 nan 0.000 0.218 229 P C 0.641 177.732 177.300 -0.348 0.000 1.148 229 P CA 1.402 64.298 63.100 -0.340 0.000 0.822 229 P CB -0.313 31.255 31.700 -0.219 0.000 0.784 230 N N -0.764 117.758 118.700 -0.296 0.000 2.370 230 N HA -0.019 4.721 4.740 -0.000 0.000 0.198 230 N C 0.073 175.351 175.510 -0.386 0.000 1.156 230 N CA -0.164 52.733 53.050 -0.256 0.000 0.839 230 N CB -1.284 37.168 38.487 -0.058 0.000 0.989 230 N HN 0.040 nan 8.380 nan 0.000 0.468 231 C N 2.882 121.831 119.300 -0.585 0.000 2.634 231 C HA 0.079 4.539 4.460 -0.000 0.000 0.417 231 C C -0.165 174.332 174.990 -0.823 0.000 1.334 231 C CA -0.892 57.624 59.018 -0.835 0.000 1.829 231 C CB 1.020 27.877 27.740 -1.471 0.000 2.665 231 C HN 0.370 nan 8.230 nan 0.000 0.614 232 P HA -0.106 nan 4.420 nan 0.000 0.228 232 P C 1.049 178.132 177.300 -0.361 0.000 1.151 232 P CA 1.751 64.552 63.100 -0.499 0.000 0.770 232 P CB -0.041 31.339 31.700 -0.533 0.000 0.786 233 W N -1.887 119.262 121.300 -0.253 0.000 3.058 233 W HA 0.568 5.228 4.660 -0.000 0.000 0.306 233 W C 1.138 177.678 176.519 0.036 0.000 1.188 233 W CA 0.318 57.585 57.345 -0.130 0.000 1.651 233 W CB -0.881 28.508 29.460 -0.119 0.000 1.051 233 W HN -0.142 nan 8.180 nan 0.000 0.592 234 A N 1.614 124.135 122.820 -0.500 0.000 2.206 234 A HA 0.185 4.504 4.320 -0.000 0.000 0.211 234 A C 0.970 178.390 177.584 -0.275 0.000 1.158 234 A CA 1.244 53.114 52.037 -0.277 0.000 0.761 234 A CB -0.607 18.000 19.000 -0.656 0.000 0.801 234 A HN 0.258 nan 8.150 nan 0.000 0.473 235 S N -2.044 113.490 115.700 -0.276 0.000 2.587 235 S HA 0.602 5.072 4.470 -0.000 0.000 0.269 235 S C -0.876 173.589 174.600 -0.224 0.000 1.154 235 S CA -0.096 57.926 58.200 -0.298 0.000 0.824 235 S CB 1.147 64.112 63.200 -0.391 0.000 1.118 235 S HN 1.422 nan 8.310 nan 0.000 0.462 236 V N -0.902 118.893 119.914 -0.197 0.000 3.159 236 V HA 0.946 5.066 4.120 -0.000 0.000 0.308 236 V C 0.138 176.148 176.094 -0.140 0.000 1.190 236 V CA -0.369 61.839 62.300 -0.153 0.000 1.037 236 V CB 1.164 32.913 31.823 -0.124 0.000 1.060 236 V HN 1.616 nan 8.190 nan 0.000 0.437 237 S N 0.924 116.553 115.700 -0.118 0.000 2.608 237 S HA 0.356 4.826 4.470 -0.000 0.000 0.261 237 S C 1.350 175.895 174.600 -0.092 0.000 1.314 237 S CA 0.018 58.154 58.200 -0.107 0.000 0.992 237 S CB 1.213 64.361 63.200 -0.086 0.000 0.935 237 S HN 2.096 nan 8.310 nan 0.000 0.564 238 V N -1.106 118.744 119.914 -0.107 0.000 2.407 238 V HA -0.035 4.085 4.120 -0.000 0.000 0.248 238 V C 2.646 178.718 176.094 -0.036 0.000 1.055 238 V CA 1.714 63.958 62.300 -0.094 0.000 1.049 238 V CB -2.136 29.568 31.823 -0.198 0.000 0.662 238 V HN 1.005 nan 8.190 nan 0.000 0.455 239 A N 0.713 123.510 122.820 -0.039 0.000 1.877 239 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 239 A C 2.228 179.792 177.584 -0.034 0.000 1.186 239 A CA 2.130 54.153 52.037 -0.023 0.000 0.620 239 A CB -0.714 18.272 19.000 -0.024 0.000 0.822 239 A HN 0.629 nan 8.150 nan 0.000 0.443 240 E N 0.132 120.301 120.200 -0.052 0.000 2.106 240 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 240 E C 1.932 178.494 176.600 -0.064 0.000 0.984 240 E CA 1.511 57.869 56.400 -0.070 0.000 0.806 240 E CB -0.802 28.845 29.700 -0.088 0.000 0.750 240 E HN 0.404 nan 8.360 nan 0.000 0.458 241 G N 0.536 109.312 108.800 -0.041 0.000 2.408 241 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 241 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 241 G C 1.751 176.663 174.900 0.020 0.000 1.150 241 G CA 0.776 45.875 45.100 -0.001 0.000 0.776 241 G HN 0.314 nan 8.290 nan 0.000 0.542 242 R N 0.163 120.668 120.500 0.008 0.000 2.066 242 R HA 0.052 4.392 4.340 -0.000 0.000 0.232 242 R C 2.565 178.863 176.300 -0.003 0.000 1.131 242 R CA 1.140 57.246 56.100 0.010 0.000 0.955 242 R CB -0.375 29.933 30.300 0.014 0.000 0.851 242 R HN 0.261 nan 8.270 nan 0.000 0.432 243 R N 0.441 120.928 120.500 -0.020 0.000 2.096 243 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 243 R C 2.346 178.625 176.300 -0.035 0.000 1.139 243 R CA 2.069 58.149 56.100 -0.034 0.000 0.952 243 R CB -0.129 30.137 30.300 -0.056 0.000 0.854 243 R HN 0.288 nan 8.270 nan 0.000 0.436 244 R N -0.396 120.075 120.500 -0.048 0.000 2.096 244 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 244 R C 2.332 178.680 176.300 0.079 0.000 1.127 244 R CA 1.285 57.351 56.100 -0.055 0.000 0.968 244 R CB -0.334 29.856 30.300 -0.183 0.000 0.861 244 R HN 0.256 nan 8.270 nan 0.000 0.440 245 A N 0.782 123.668 122.820 0.109 0.000 1.877 245 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 245 A C 2.368 179.960 177.584 0.012 0.000 1.186 245 A CA 1.438 53.523 52.037 0.080 0.000 0.620 245 A CB -0.572 18.426 19.000 -0.003 0.000 0.822 245 A HN 0.116 nan 8.150 nan 0.000 0.443 246 V N -0.027 119.888 119.914 0.001 0.000 2.427 246 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 246 V C 2.580 178.676 176.094 0.002 0.000 1.051 246 V CA 2.354 64.649 62.300 -0.007 0.000 1.048 246 V CB -0.674 31.144 31.823 -0.009 0.000 0.666 246 V HN 0.692 nan 8.190 nan 0.000 0.456 247 E N 0.293 120.496 120.200 0.004 0.000 2.110 247 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 247 E C 1.912 178.527 176.600 0.025 0.000 0.988 247 E CA 1.170 57.572 56.400 0.003 0.000 0.804 247 E CB -0.398 29.289 29.700 -0.021 0.000 0.745 247 E HN 0.451 nan 8.360 nan 0.000 0.458 248 L N -0.351 120.905 121.223 0.055 0.000 2.083 248 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 248 L C 2.111 179.000 176.870 0.032 0.000 1.083 248 L CA 2.299 57.183 54.840 0.073 0.000 0.752 248 L CB -0.952 41.177 42.059 0.117 0.000 0.899 248 L HN 0.220 nan 8.230 nan 0.000 0.433 249 G N -0.962 107.845 108.800 0.011 0.000 2.402 249 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 249 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 249 G C 1.807 176.718 174.900 0.018 0.000 1.162 249 G CA 0.669 45.774 45.100 0.008 0.000 0.777 249 G HN 0.393 nan 8.290 nan 0.000 0.539 250 R N 0.396 120.906 120.500 0.016 0.000 2.096 250 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 250 R C 2.007 178.322 176.300 0.024 0.000 1.127 250 R CA 1.163 57.274 56.100 0.017 0.000 0.968 250 R CB -0.267 30.040 30.300 0.012 0.000 0.861 250 R HN 0.256 nan 8.270 nan 0.000 0.440 251 N N 0.317 119.035 118.700 0.030 0.000 2.550 251 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 251 N C 0.577 176.112 175.510 0.043 0.000 1.110 251 N CA 0.799 53.872 53.050 0.038 0.000 0.912 251 N CB 0.286 38.801 38.487 0.048 0.000 0.968 251 N HN 0.295 nan 8.380 nan 0.000 0.448 252 L N -0.026 121.220 121.223 0.039 0.000 3.229 252 L HA 0.239 4.579 4.340 -0.000 0.000 0.286 252 L C -0.340 176.553 176.870 0.038 0.000 1.239 252 L CA -0.231 54.635 54.840 0.042 0.000 1.035 252 L CB 0.174 42.260 42.059 0.044 0.000 1.408 252 L HN -0.106 nan 8.230 nan 0.000 0.593 253 N N -0.036 118.683 118.700 0.033 0.000 2.727 253 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 253 N C -0.347 175.183 175.510 0.033 0.000 1.040 253 N CA 0.522 53.591 53.050 0.031 0.000 0.712 253 N CB -1.688 36.817 38.487 0.031 0.000 0.912 253 N HN 0.271 nan 8.380 nan 0.000 0.545 254 c N 0.834 119.453 118.600 0.031 0.000 2.364 254 c HA 0.287 4.856 4.570 -0.000 0.000 0.356 254 c C 1.285 175.393 174.090 0.029 0.000 1.201 254 c CA -0.989 55.361 56.329 0.036 0.000 2.227 254 c CB 1.214 43.744 42.510 0.033 0.000 2.387 254 c HN 0.415 nan 8.230 nan 0.000 0.546 255 N N 2.241 120.961 118.700 0.034 0.000 2.416 255 N HA 0.088 4.827 4.740 -0.000 0.000 0.265 255 N C 0.007 175.528 175.510 0.018 0.000 1.195 255 N CA 0.239 53.303 53.050 0.024 0.000 0.943 255 N CB 0.373 38.873 38.487 0.023 0.000 1.115 255 N HN 0.610 nan 8.380 nan 0.000 0.481 256 L N 3.025 124.255 121.223 0.012 0.000 2.728 256 L HA 0.190 4.530 4.340 -0.000 0.000 0.235 256 L C 1.128 178.000 176.870 0.004 0.000 1.197 256 L CA -0.253 54.591 54.840 0.006 0.000 0.992 256 L CB -0.224 41.838 42.059 0.005 0.000 1.263 256 L HN 0.389 nan 8.230 nan 0.000 0.484 257 N N 0.365 119.067 118.700 0.004 0.000 2.494 257 N HA -0.024 4.716 4.740 -0.000 0.000 0.182 257 N C 0.539 176.049 175.510 0.000 0.000 1.076 257 N CA 0.550 53.601 53.050 0.001 0.000 0.908 257 N CB 0.439 38.926 38.487 -0.000 0.000 0.967 257 N HN 0.473 nan 8.380 nan 0.000 0.449 258 S N -1.538 114.163 115.700 0.001 0.000 2.611 258 S HA 0.240 4.710 4.470 -0.000 0.000 0.270 258 S C -0.323 174.278 174.600 0.002 0.000 1.131 258 S CA -0.840 57.361 58.200 0.000 0.000 0.826 258 S CB 1.233 64.433 63.200 -0.000 0.000 1.095 258 S HN -0.238 nan 8.310 nan 0.000 0.461 259 D N 1.138 121.537 120.400 -0.002 0.000 2.144 259 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 259 D C 1.479 177.785 176.300 0.010 0.000 0.984 259 D CA 1.797 55.793 54.000 -0.006 0.000 0.834 259 D CB -0.206 40.587 40.800 -0.011 0.000 0.955 259 D HN 0.699 nan 8.370 nan 0.000 0.465 260 E N 1.056 121.268 120.200 0.020 0.000 2.051 260 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 260 E C 2.054 178.697 176.600 0.072 0.000 0.991 260 E CA 0.955 57.381 56.400 0.043 0.000 0.799 260 E CB -0.184 29.532 29.700 0.027 0.000 0.748 260 E HN 0.449 nan 8.360 nan 0.000 0.449 261 E N 0.182 120.408 120.200 0.043 0.000 2.046 261 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 261 E C 2.066 178.719 176.600 0.088 0.000 0.982 261 E CA 0.714 57.145 56.400 0.052 0.000 0.800 261 E CB -0.166 29.542 29.700 0.013 0.000 0.756 261 E HN 0.099 nan 8.360 nan 0.000 0.449 262 L N 1.517 122.768 121.223 0.046 0.000 1.989 262 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 262 L C 2.097 178.986 176.870 0.032 0.000 1.071 262 L CA 1.682 56.537 54.840 0.026 0.000 0.749 262 L CB -0.390 41.661 42.059 -0.013 0.000 0.890 262 L HN 0.101 nan 8.230 nan 0.000 0.431 263 I N -0.829 119.759 120.570 0.029 0.000 2.286 263 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 263 I C 2.605 178.802 176.117 0.134 0.000 1.115 263 I CA 1.419 62.748 61.300 0.048 0.000 1.392 263 I CB -0.702 37.328 38.000 0.049 0.000 1.065 263 I HN 0.499 nan 8.210 nan 0.000 0.418 264 H N 0.450 119.556 119.070 0.059 0.000 2.389 264 H HA -0.220 4.336 4.556 -0.000 0.000 0.299 264 H C 2.402 177.769 175.328 0.065 0.000 1.081 264 H CA 2.011 58.096 56.048 0.062 0.000 1.345 264 H CB -0.179 29.607 29.762 0.040 0.000 1.393 264 H HN 0.454 nan 8.280 nan 0.000 0.520 265 c N 0.794 119.510 118.600 0.193 0.000 2.429 265 c HA -0.067 4.503 4.570 -0.000 0.000 0.277 265 c C 3.022 177.152 174.090 0.067 0.000 1.262 265 c CA 0.709 57.119 56.329 0.135 0.000 1.733 265 c CB -1.367 41.211 42.510 0.114 0.000 2.010 265 c HN 0.558 nan 8.230 nan 0.000 0.483 266 L N 0.123 121.400 121.223 0.089 0.000 2.291 266 L HA -0.024 4.316 4.340 -0.000 0.000 0.214 266 L C 2.831 179.813 176.870 0.186 0.000 1.120 266 L CA 1.092 56.020 54.840 0.147 0.000 0.799 266 L CB -0.589 41.564 42.059 0.158 0.000 0.925 266 L HN 0.355 nan 8.230 nan 0.000 0.446 267 R N -0.445 120.119 120.500 0.107 0.000 2.240 267 R HA -0.042 4.297 4.340 -0.000 0.000 0.203 267 R C 1.712 177.968 176.300 -0.072 0.000 1.011 267 R CA 0.393 56.488 56.100 -0.010 0.000 1.007 267 R CB 0.099 30.367 30.300 -0.053 0.000 0.911 267 R HN 0.308 nan 8.270 nan 0.000 0.468 268 E N 0.780 120.930 120.200 -0.083 0.000 2.299 268 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 268 E C 0.187 176.785 176.600 -0.004 0.000 0.998 268 E CA 0.590 56.952 56.400 -0.064 0.000 0.851 268 E CB 0.244 29.910 29.700 -0.056 0.000 0.795 268 E HN 0.073 nan 8.360 nan 0.000 0.492 269 K N 1.717 122.132 120.400 0.024 0.000 2.258 269 K HA 0.161 4.481 4.320 -0.000 0.000 0.264 269 K C 0.473 177.110 176.600 0.061 0.000 1.007 269 K CA -0.029 56.288 56.287 0.049 0.000 0.941 269 K CB 0.800 33.339 32.500 0.066 0.000 0.966 269 K HN -0.095 nan 8.250 nan 0.000 0.480 270 K N 2.277 122.718 120.400 0.068 0.000 2.237 270 K HA 0.058 4.378 4.320 -0.000 0.000 0.270 270 K C -1.611 175.072 176.600 0.138 0.000 1.015 270 K CA -1.618 54.714 56.287 0.076 0.000 0.949 270 K CB 0.371 32.907 32.500 0.060 0.000 0.976 270 K HN 0.175 nan 8.250 nan 0.000 0.472 271 P HA -0.255 nan 4.420 nan 0.000 0.215 271 P C 1.089 178.588 177.300 0.331 0.000 1.163 271 P CA 1.353 64.645 63.100 0.320 0.000 0.894 271 P CB 0.247 31.965 31.700 0.030 0.000 0.791 272 Q N -0.119 119.792 119.800 0.185 0.000 2.291 272 Q HA -0.185 4.155 4.340 -0.000 0.000 0.206 272 Q C 1.875 177.976 176.000 0.168 0.000 0.976 272 Q CA 1.567 57.473 55.803 0.172 0.000 0.875 272 Q CB -0.791 28.014 28.738 0.112 0.000 0.927 272 Q HN 0.371 nan 8.270 nan 0.000 0.450 273 E N -0.970 119.318 120.200 0.146 0.000 2.107 273 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 273 E C 1.623 178.295 176.600 0.120 0.000 0.982 273 E CA 0.890 57.362 56.400 0.119 0.000 0.809 273 E CB 0.035 29.792 29.700 0.094 0.000 0.756 273 E HN 0.270 nan 8.360 nan 0.000 0.459 274 L N 0.699 121.995 121.223 0.122 0.000 2.044 274 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 274 L C 2.276 179.207 176.870 0.102 0.000 1.075 274 L CA 1.303 56.174 54.840 0.052 0.000 0.747 274 L CB -0.433 41.559 42.059 -0.112 0.000 0.903 274 L HN 0.118 nan 8.230 nan 0.000 0.435 275 I N -0.411 120.276 120.570 0.194 0.000 2.264 275 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 275 I C 1.977 178.264 176.117 0.284 0.000 1.111 275 I CA 1.195 62.658 61.300 0.271 0.000 1.382 275 I CB -0.559 37.653 38.000 0.354 0.000 1.060 275 I HN 0.296 nan 8.210 nan 0.000 0.418 276 D N 0.571 121.114 120.400 0.239 0.000 2.221 276 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 276 D C 1.938 178.373 176.300 0.224 0.000 0.982 276 D CA 1.639 55.780 54.000 0.235 0.000 0.857 276 D CB 0.072 40.974 40.800 0.170 0.000 0.934 276 D HN 0.418 nan 8.370 nan 0.000 0.475 277 V N -2.515 117.506 119.914 0.178 0.000 3.528 277 V HA 0.188 4.308 4.120 -0.000 0.000 0.294 277 V C 1.799 177.970 176.094 0.129 0.000 1.404 277 V CA -0.024 62.367 62.300 0.151 0.000 1.065 277 V CB 0.381 32.270 31.823 0.109 0.000 0.904 277 V HN -0.075 nan 8.190 nan 0.000 0.435 278 E N 1.085 121.348 120.200 0.105 0.000 2.086 278 E HA -0.290 4.060 4.350 -0.000 0.000 0.205 278 E C 1.516 177.972 176.600 -0.240 0.000 1.027 278 E CA 2.906 59.280 56.400 -0.043 0.000 0.830 278 E CB -0.239 29.333 29.700 -0.214 0.000 0.751 278 E HN 0.828 nan 8.360 nan 0.000 0.456 279 W N 0.669 121.952 121.300 -0.028 0.000 2.825 279 W HA 0.035 4.695 4.660 -0.000 0.000 0.243 279 W C 1.719 178.192 176.519 -0.076 0.000 1.293 279 W CA 0.014 57.301 57.345 -0.098 0.000 1.403 279 W CB -0.105 29.270 29.460 -0.143 0.000 1.134 279 W HN 0.100 nan 8.180 nan 0.000 0.666 280 N N 0.270 119.041 118.700 0.118 0.000 2.459 280 N HA -0.107 4.633 4.740 -0.000 0.000 0.181 280 N C 1.836 177.343 175.510 -0.004 0.000 1.046 280 N CA 1.536 54.625 53.050 0.066 0.000 0.904 280 N CB -0.630 37.898 38.487 0.068 0.000 0.964 280 N HN 0.254 nan 8.380 nan 0.000 0.444 281 V N -1.649 118.229 119.914 -0.060 0.000 3.573 281 V HA 0.179 4.299 4.120 -0.000 0.000 0.270 281 V C 0.853 176.837 176.094 -0.183 0.000 1.221 281 V CA 0.078 62.305 62.300 -0.123 0.000 1.163 281 V CB -0.810 30.915 31.823 -0.163 0.000 0.847 281 V HN 0.013 nan 8.190 nan 0.000 0.468 282 L N 1.163 122.292 121.223 -0.156 0.000 2.456 282 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 282 L C -0.591 176.138 176.870 -0.234 0.000 1.189 282 L CA -1.047 53.687 54.840 -0.176 0.000 0.846 282 L CB 0.475 42.490 42.059 -0.073 0.000 1.111 282 L HN 0.120 nan 8.230 nan 0.000 0.475 283 P HA -0.111 nan 4.420 nan 0.000 0.215 283 P C -0.633 176.159 177.300 -0.846 0.000 1.157 283 P CA 1.446 64.066 63.100 -0.800 0.000 0.868 283 P CB 0.235 31.174 31.700 -1.269 0.000 0.788 284 F N -2.970 116.978 119.950 -0.002 0.000 2.675 284 F HA 0.378 4.905 4.527 -0.000 0.000 0.324 284 F C 0.074 175.880 175.800 0.009 0.000 1.106 284 F CA -1.596 56.408 58.000 0.006 0.000 0.970 284 F CB -0.004 39.003 39.000 0.013 0.000 1.385 284 F HN -0.449 nan 8.300 nan 0.000 0.489 285 D N 1.208 121.746 120.400 0.230 0.000 2.424 285 D HA 0.441 5.081 4.640 -0.000 0.000 0.244 285 D C -0.202 176.181 176.300 0.138 0.000 1.134 285 D CA 0.567 54.643 54.000 0.127 0.000 0.881 285 D CB 0.997 41.849 40.800 0.085 0.000 1.191 285 D HN 0.712 nan 8.370 nan 0.000 0.445 286 S N 0.305 116.061 115.700 0.094 0.000 2.636 286 S HA 0.676 5.146 4.470 -0.000 0.000 0.266 286 S C -0.808 173.819 174.600 0.044 0.000 1.147 286 S CA -1.081 57.169 58.200 0.084 0.000 0.815 286 S CB 0.681 63.960 63.200 0.133 0.000 1.119 286 S HN 0.467 nan 8.310 nan 0.000 0.470 287 I N -2.782 117.812 120.570 0.039 0.000 2.730 287 I HA 0.826 4.996 4.170 -0.000 0.000 0.298 287 I C -0.419 175.711 176.117 0.021 0.000 1.089 287 I CA -1.023 60.299 61.300 0.037 0.000 1.041 287 I CB 1.518 39.556 38.000 0.064 0.000 1.235 287 I HN 0.831 nan 8.210 nan 0.000 0.423 288 F N 2.525 122.306 119.950 -0.281 0.000 3.058 288 F HA -0.167 4.360 4.527 -0.000 0.000 0.295 288 F C -0.417 174.822 175.800 -0.936 0.000 0.875 288 F CA 0.538 58.097 58.000 -0.736 0.000 1.150 288 F CB -0.598 37.943 39.000 -0.765 0.000 1.175 288 F HN 0.650 nan 8.300 nan 0.000 0.599 289 R N 0.583 120.655 120.500 -0.713 0.000 2.575 289 R HA 0.620 4.960 4.340 -0.000 0.000 0.293 289 R C -1.013 174.899 176.300 -0.647 0.000 0.983 289 R CA -0.514 55.235 56.100 -0.585 0.000 0.887 289 R CB 1.297 31.508 30.300 -0.148 0.000 1.184 289 R HN -0.014 nan 8.270 nan 0.000 0.445 290 F N -0.529 119.484 119.950 0.106 0.000 2.532 290 F HA 0.368 4.895 4.527 -0.000 0.000 0.321 290 F C 1.599 177.279 175.800 -0.199 0.000 1.089 290 F CA -0.886 57.087 58.000 -0.044 0.000 0.926 290 F CB 1.721 40.797 39.000 0.126 0.000 1.168 290 F HN 0.353 nan 8.300 nan 0.000 0.459 291 S N 0.845 116.369 115.700 -0.295 0.000 2.351 291 S HA -0.079 4.391 4.470 -0.000 0.000 0.220 291 S C 0.097 174.232 174.600 -0.775 0.000 1.035 291 S CA 1.333 59.151 58.200 -0.637 0.000 1.031 291 S CB -0.268 62.368 63.200 -0.940 0.000 0.928 291 S HN 0.351 nan 8.310 nan 0.000 0.433 292 F N 1.552 121.502 119.950 -0.000 0.000 2.382 292 F HA 0.553 5.080 4.527 -0.000 0.000 0.361 292 F C 0.051 175.866 175.800 0.025 0.000 1.109 292 F CA -1.038 57.000 58.000 0.063 0.000 1.031 292 F CB 1.094 40.172 39.000 0.131 0.000 1.234 292 F HN -0.074 nan 8.300 nan 0.000 0.445 293 V N 0.855 120.748 119.914 -0.036 0.000 3.158 293 V HA 0.776 4.896 4.120 -0.000 0.000 0.311 293 V C -2.859 172.896 176.094 -0.565 0.000 1.181 293 V CA -3.318 58.655 62.300 -0.545 0.000 1.054 293 V CB 1.983 33.641 31.823 -0.276 0.000 1.085 293 V HN 0.265 nan 8.190 nan 0.000 0.446 294 P HA 0.250 nan 4.420 nan 0.000 0.269 294 P C -0.684 176.500 177.300 -0.193 0.000 1.211 294 P CA 0.325 63.187 63.100 -0.396 0.000 0.781 294 P CB 0.366 31.780 31.700 -0.476 0.000 0.877 295 V N -0.266 119.628 119.914 -0.034 0.000 2.735 295 V HA 0.440 4.560 4.120 -0.000 0.000 0.310 295 V C -0.174 175.925 176.094 0.008 0.000 1.061 295 V CA -0.878 61.394 62.300 -0.047 0.000 0.913 295 V CB 1.990 33.810 31.823 -0.005 0.000 1.005 295 V HN 0.204 nan 8.190 nan 0.000 0.428 296 I N 4.729 125.238 120.570 -0.102 0.000 2.278 296 I HA 0.177 4.347 4.170 -0.000 0.000 0.300 296 I C 0.969 177.071 176.117 -0.026 0.000 1.174 296 I CA 0.246 61.508 61.300 -0.064 0.000 1.347 296 I CB -0.225 37.677 38.000 -0.163 0.000 1.473 296 I HN 0.976 nan 8.210 nan 0.000 0.595 297 D N 3.122 123.572 120.400 0.084 0.000 2.349 297 D HA 0.020 4.659 4.640 -0.000 0.000 0.215 297 D C 1.447 177.768 176.300 0.035 0.000 1.016 297 D CA 0.721 54.696 54.000 -0.042 0.000 0.870 297 D CB 0.326 41.197 40.800 0.118 0.000 0.917 297 D HN 0.627 nan 8.370 nan 0.000 0.524 298 G N 0.583 109.455 108.800 0.120 0.000 2.184 298 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.264 298 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.264 298 G C 0.633 175.616 174.900 0.139 0.000 0.975 298 G CA 0.804 45.977 45.100 0.121 0.000 0.642 298 G HN 0.560 nan 8.290 nan 0.000 0.536 299 E N -1.375 118.926 120.200 0.169 0.000 2.625 299 E HA 0.372 4.722 4.350 -0.000 0.000 0.185 299 E C 1.880 178.534 176.600 0.090 0.000 1.085 299 E CA -0.058 56.420 56.400 0.130 0.000 1.137 299 E CB -0.140 29.655 29.700 0.158 0.000 1.687 299 E HN 0.272 nan 8.360 nan 0.000 0.512 300 F N 0.650 120.565 119.950 -0.059 0.000 2.161 300 F HA 0.008 4.535 4.527 -0.000 0.000 0.300 300 F C 0.132 175.680 175.800 -0.420 0.000 1.089 300 F CA 1.152 58.993 58.000 -0.264 0.000 1.282 300 F CB 0.207 38.987 39.000 -0.367 0.000 1.010 300 F HN -0.023 nan 8.300 nan 0.000 0.485 301 F N 0.897 121.002 119.950 0.259 0.000 2.325 301 F HA 0.356 4.883 4.527 -0.000 0.000 0.369 301 F C -1.552 174.293 175.800 0.075 0.000 1.095 301 F CA -2.857 55.234 58.000 0.152 0.000 1.082 301 F CB 0.593 39.678 39.000 0.142 0.000 1.289 301 F HN -0.239 nan 8.300 nan 0.000 0.462 302 P HA -0.155 nan 4.420 nan 0.000 0.217 302 P C 0.464 177.830 177.300 0.110 0.000 1.162 302 P CA 2.068 65.234 63.100 0.110 0.000 0.901 302 P CB 0.171 31.913 31.700 0.071 0.000 0.793 303 T N -6.778 107.849 114.554 0.122 0.000 2.647 303 T HA 0.449 4.799 4.350 -0.000 0.000 0.295 303 T C -0.455 174.286 174.700 0.068 0.000 1.126 303 T CA -0.646 61.501 62.100 0.079 0.000 1.040 303 T CB 0.707 69.607 68.868 0.054 0.000 1.472 303 T HN -0.005 nan 8.240 nan 0.000 0.500 304 S N 0.351 116.066 115.700 0.025 0.000 2.558 304 S HA 0.103 4.573 4.470 -0.000 0.000 0.291 304 S C 1.577 176.179 174.600 0.004 0.000 1.306 304 S CA -0.623 57.569 58.200 -0.013 0.000 1.056 304 S CB -0.461 62.730 63.200 -0.014 0.000 0.836 304 S HN 0.668 nan 8.310 nan 0.000 0.504 305 L N 0.778 121.968 121.223 -0.055 0.000 2.043 305 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 305 L C 2.917 179.823 176.870 0.060 0.000 1.075 305 L CA 2.058 56.887 54.840 -0.017 0.000 0.752 305 L CB -0.826 41.162 42.059 -0.117 0.000 0.891 305 L HN 0.791 nan 8.230 nan 0.000 0.432 306 E N 0.788 121.016 120.200 0.047 0.000 2.031 306 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 306 E C 2.294 178.956 176.600 0.104 0.000 0.994 306 E CA 1.856 58.316 56.400 0.100 0.000 0.800 306 E CB -0.166 29.580 29.700 0.077 0.000 0.752 306 E HN 0.464 nan 8.360 nan 0.000 0.447 307 S N -0.490 115.254 115.700 0.073 0.000 2.419 307 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 307 S C 2.099 176.747 174.600 0.080 0.000 1.016 307 S CA 1.371 59.612 58.200 0.069 0.000 0.974 307 S CB -0.366 62.861 63.200 0.046 0.000 0.786 307 S HN 0.283 nan 8.310 nan 0.000 0.492 308 M N 0.664 120.327 119.600 0.105 0.000 2.254 308 M HA 0.121 4.601 4.480 -0.000 0.000 0.265 308 M C 2.050 178.484 176.300 0.224 0.000 1.066 308 M CA 1.174 56.559 55.300 0.141 0.000 1.123 308 M CB -0.471 32.244 32.600 0.191 0.000 1.388 308 M HN 0.323 nan 8.290 nan 0.000 0.425 309 L N -0.238 121.120 121.223 0.225 0.000 2.109 309 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 309 L C 1.983 179.019 176.870 0.276 0.000 1.086 309 L CA 0.665 55.671 54.840 0.275 0.000 0.760 309 L CB -0.728 41.406 42.059 0.126 0.000 0.910 309 L HN 0.319 nan 8.230 nan 0.000 0.437 310 N N -0.191 118.620 118.700 0.184 0.000 2.309 310 N HA -0.120 4.620 4.740 -0.000 0.000 0.182 310 N C 1.884 177.501 175.510 0.178 0.000 1.018 310 N CA 1.555 54.719 53.050 0.191 0.000 0.876 310 N CB -0.085 38.480 38.487 0.131 0.000 0.972 310 N HN 0.338 nan 8.380 nan 0.000 0.434 311 S N -1.340 114.373 115.700 0.022 0.000 2.556 311 S HA 0.290 4.760 4.470 -0.000 0.000 0.216 311 S C 1.320 175.539 174.600 -0.634 0.000 0.970 311 S CA 0.326 58.443 58.200 -0.139 0.000 0.912 311 S CB 0.288 63.432 63.200 -0.094 0.000 0.790 311 S HN 0.338 nan 8.310 nan 0.000 0.504 312 G N 2.103 110.319 108.800 -0.973 0.000 2.153 312 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.252 312 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.252 312 G C 0.001 174.051 174.900 -1.417 0.000 0.994 312 G CA 0.103 43.995 45.100 -2.014 0.000 0.698 312 G HN 0.611 nan 8.290 nan 0.000 0.521 313 N N 0.668 118.995 118.700 -0.621 0.000 2.819 313 N HA 0.498 5.238 4.740 -0.000 0.000 0.284 313 N C -0.119 175.355 175.510 -0.061 0.000 1.196 313 N CA 0.084 52.949 53.050 -0.310 0.000 1.114 313 N CB -0.954 37.476 38.487 -0.095 0.000 1.437 313 N HN 0.788 nan 8.380 nan 0.000 0.518 314 F N -1.137 118.762 119.950 -0.086 0.000 2.842 314 F HA 0.364 4.891 4.527 -0.000 0.000 0.319 314 F C -0.430 175.389 175.800 0.032 0.000 1.159 314 F CA -1.425 56.593 58.000 0.029 0.000 0.902 314 F CB 0.537 39.619 39.000 0.137 0.000 1.311 314 F HN -0.133 nan 8.300 nan 0.000 0.453 315 K N 1.411 122.057 120.400 0.409 0.000 2.484 315 K HA 0.202 4.522 4.320 -0.000 0.000 0.280 315 K C -1.048 175.799 176.600 0.412 0.000 1.013 315 K CA -0.066 56.376 56.287 0.258 0.000 1.029 315 K CB 0.490 33.095 32.500 0.175 0.000 0.902 315 K HN 0.653 nan 8.250 nan 0.000 0.481 316 K N 2.764 123.265 120.400 0.169 0.000 2.299 316 K HA 0.184 4.504 4.320 -0.000 0.000 0.268 316 K C -0.369 176.342 176.600 0.185 0.000 1.075 316 K CA -0.243 56.139 56.287 0.159 0.000 0.936 316 K CB 1.787 34.282 32.500 -0.009 0.000 1.228 316 K HN 0.600 nan 8.250 nan 0.000 0.454 317 T N 1.161 115.917 114.554 0.337 0.000 2.587 317 T HA 0.326 4.676 4.350 -0.000 0.000 0.282 317 T C -1.349 173.557 174.700 0.343 0.000 1.018 317 T CA -0.648 61.604 62.100 0.253 0.000 1.120 317 T CB 0.696 69.680 68.868 0.193 0.000 1.538 317 T HN 0.361 nan 8.240 nan 0.000 0.480 318 Q N 1.133 121.102 119.800 0.282 0.000 2.230 318 Q HA 0.731 5.071 4.340 -0.000 0.000 0.253 318 Q C -0.460 175.826 176.000 0.478 0.000 0.919 318 Q CA -0.444 55.581 55.803 0.371 0.000 0.908 318 Q CB 1.399 30.332 28.738 0.324 0.000 1.245 318 Q HN 0.652 nan 8.270 nan 0.000 0.437 319 I N -1.242 119.554 120.570 0.377 0.000 2.730 319 I HA 0.704 4.874 4.170 -0.000 0.000 0.298 319 I C -1.437 174.601 176.117 -0.131 0.000 1.089 319 I CA -1.397 59.995 61.300 0.152 0.000 1.041 319 I CB 1.887 39.824 38.000 -0.104 0.000 1.235 319 I HN 0.549 nan 8.210 nan 0.000 0.423 320 L N 6.854 127.791 121.223 -0.476 0.000 2.404 320 L HA 0.725 5.065 4.340 -0.000 0.000 0.272 320 L C -1.277 175.409 176.870 -0.307 0.000 0.980 320 L CA -0.485 53.966 54.840 -0.648 0.000 0.836 320 L CB 1.482 42.620 42.059 -1.534 0.000 1.238 320 L HN 0.828 nan 8.230 nan 0.000 0.408 321 L N 2.439 123.598 121.223 -0.107 0.000 2.403 321 L HA 1.144 5.484 4.340 -0.000 0.000 0.253 321 L C -0.567 176.096 176.870 -0.344 0.000 1.045 321 L CA -0.465 54.323 54.840 -0.087 0.000 0.845 321 L CB 2.080 44.082 42.059 -0.095 0.000 1.447 321 L HN 0.621 nan 8.230 nan 0.000 0.411 322 G N -0.269 108.109 108.800 -0.703 0.000 2.428 322 G HA2 0.570 4.530 3.960 -0.000 0.000 0.304 322 G HA3 0.570 4.530 3.960 -0.000 0.000 0.304 322 G C -1.515 173.011 174.900 -0.623 0.000 1.303 322 G CA 0.022 44.352 45.100 -1.283 0.000 0.825 322 G HN 1.438 nan 8.290 nan 0.000 0.484 323 V N -2.723 117.007 119.914 -0.306 0.000 3.181 323 V HA 0.862 4.982 4.120 -0.000 0.000 0.308 323 V C -1.150 175.052 176.094 0.179 0.000 1.214 323 V CA -1.435 60.906 62.300 0.067 0.000 1.053 323 V CB 1.845 33.736 31.823 0.113 0.000 1.069 323 V HN 0.692 nan 8.190 nan 0.000 0.441 324 N N 0.784 119.594 118.700 0.185 0.000 2.466 324 N HA 0.437 5.176 4.740 -0.000 0.000 0.294 324 N C 0.567 176.061 175.510 -0.027 0.000 1.129 324 N CA -0.417 52.717 53.050 0.140 0.000 0.931 324 N CB 1.811 40.456 38.487 0.263 0.000 1.193 324 N HN 0.952 nan 8.380 nan 0.000 0.500 325 K N 0.111 120.382 120.400 -0.216 0.000 2.103 325 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 325 K C -0.610 176.081 176.600 0.152 0.000 1.048 325 K CA 1.345 57.584 56.287 -0.079 0.000 0.930 325 K CB 0.206 32.656 32.500 -0.084 0.000 0.716 325 K HN 0.502 nan 8.250 nan 0.000 0.444 326 D N 1.126 121.609 120.400 0.139 0.000 2.795 326 D HA 0.031 4.671 4.640 -0.000 0.000 0.335 326 D C 0.107 176.528 176.300 0.201 0.000 1.262 326 D CA -0.104 53.996 54.000 0.167 0.000 0.885 326 D CB 1.262 42.137 40.800 0.124 0.000 1.047 326 D HN 0.161 nan 8.370 nan 0.000 0.500 327 E N 0.490 120.834 120.200 0.241 0.000 2.118 327 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 327 E C 1.946 178.746 176.600 0.334 0.000 0.992 327 E CA 0.754 57.345 56.400 0.318 0.000 0.804 327 E CB 0.089 29.962 29.700 0.288 0.000 0.741 327 E HN 0.424 nan 8.360 nan 0.000 0.458 328 G N 0.935 109.897 108.800 0.270 0.000 2.777 328 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.211 328 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.211 328 G C 1.672 176.735 174.900 0.271 0.000 1.149 328 G CA 0.719 46.004 45.100 0.308 0.000 0.785 328 G HN 0.348 nan 8.290 nan 0.000 0.536 329 S N 0.591 116.406 115.700 0.192 0.000 2.383 329 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 329 S C 2.072 176.675 174.600 0.005 0.000 1.030 329 S CA 1.139 59.408 58.200 0.115 0.000 1.002 329 S CB -0.574 62.617 63.200 -0.016 0.000 0.829 329 S HN 0.298 nan 8.310 nan 0.000 0.467 330 F N 1.948 121.771 119.950 -0.212 0.000 2.126 330 F HA 0.012 4.539 4.527 -0.000 0.000 0.299 330 F C 1.575 177.151 175.800 -0.374 0.000 1.096 330 F CA 1.299 59.038 58.000 -0.434 0.000 1.255 330 F CB -0.356 38.230 39.000 -0.690 0.000 0.997 330 F HN 0.181 nan 8.300 nan 0.000 0.479 331 F N -0.278 119.651 119.950 -0.035 0.000 2.456 331 F HA 0.003 4.530 4.527 -0.000 0.000 0.298 331 F C 1.978 177.698 175.800 -0.132 0.000 1.104 331 F CA 0.555 58.477 58.000 -0.129 0.000 1.435 331 F CB -0.685 38.188 39.000 -0.211 0.000 1.078 331 F HN -0.059 nan 8.300 nan 0.000 0.546 332 L N -0.685 120.504 121.223 -0.056 0.000 2.131 332 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 332 L C 2.421 179.100 176.870 -0.318 0.000 1.087 332 L CA 0.496 55.090 54.840 -0.410 0.000 0.767 332 L CB -0.525 40.948 42.059 -0.976 0.000 0.917 332 L HN 0.167 nan 8.230 nan 0.000 0.441 333 L N -1.022 120.165 121.223 -0.060 0.000 2.079 333 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 333 L C 2.218 179.076 176.870 -0.020 0.000 1.081 333 L CA 1.991 56.910 54.840 0.133 0.000 0.752 333 L CB -0.568 41.572 42.059 0.135 0.000 0.896 333 L HN 0.125 nan 8.230 nan 0.000 0.433 334 Y N -0.849 119.349 120.300 -0.170 0.000 2.420 334 Y HA 0.234 4.784 4.550 -0.000 0.000 0.292 334 Y C 2.213 178.045 175.900 -0.113 0.000 1.119 334 Y CA 0.942 58.939 58.100 -0.171 0.000 1.229 334 Y CB -0.082 38.201 38.460 -0.296 0.000 1.026 334 Y HN 0.253 nan 8.280 nan 0.000 0.554 335 G N -1.479 107.353 108.800 0.053 0.000 4.008 335 G HA2 0.499 4.459 3.960 -0.000 0.000 0.278 335 G HA3 0.499 4.459 3.960 -0.000 0.000 0.278 335 G C -0.429 174.498 174.900 0.045 0.000 1.021 335 G CA 0.320 45.436 45.100 0.028 0.000 0.833 335 G HN 0.240 nan 8.290 nan 0.000 0.454 336 A N 1.630 124.500 122.820 0.083 0.000 2.331 336 A HA 0.839 5.159 4.320 -0.000 0.000 0.320 336 A C -2.604 175.165 177.584 0.309 0.000 1.138 336 A CA -1.598 50.549 52.037 0.184 0.000 0.790 336 A CB 1.700 20.804 19.000 0.173 0.000 1.206 336 A HN 0.051 nan 8.150 nan 0.000 0.470 337 P HA 0.227 nan 4.420 nan 0.000 0.266 337 P C 0.939 178.246 177.300 0.012 0.000 1.195 337 P CA 1.624 64.777 63.100 0.088 0.000 0.768 337 P CB 1.011 32.733 31.700 0.038 0.000 0.838 338 G N 1.571 110.320 108.800 -0.086 0.000 2.234 338 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.235 338 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.235 338 G C -0.150 174.475 174.900 -0.458 0.000 0.997 338 G CA -0.430 44.495 45.100 -0.290 0.000 0.623 338 G HN 0.433 nan 8.290 nan 0.000 0.514 339 F N 1.714 121.581 119.950 -0.138 0.000 2.396 339 F HA 0.720 5.247 4.527 -0.000 0.000 0.343 339 F C 0.763 176.522 175.800 -0.068 0.000 1.104 339 F CA 0.207 58.087 58.000 -0.201 0.000 1.161 339 F CB 2.034 40.972 39.000 -0.103 0.000 1.146 339 F HN 0.161 nan 8.300 nan 0.000 0.522 340 S N 2.096 117.867 115.700 0.119 0.000 2.537 340 S HA 0.257 4.727 4.470 -0.000 0.000 0.270 340 S C 0.358 175.170 174.600 0.352 0.000 1.142 340 S CA -0.874 57.435 58.200 0.181 0.000 0.870 340 S CB 1.677 64.907 63.200 0.050 0.000 1.112 340 S HN 0.767 nan 8.310 nan 0.000 0.466 341 K N 1.380 121.931 120.400 0.252 0.000 2.155 341 K HA 0.041 4.361 4.320 -0.000 0.000 0.203 341 K C -0.156 176.498 176.600 0.089 0.000 1.052 341 K CA 1.359 57.734 56.287 0.147 0.000 0.948 341 K CB -0.009 32.293 32.500 -0.330 0.000 0.728 341 K HN 0.638 nan 8.250 nan 0.000 0.448 342 D N 0.837 121.260 120.400 0.039 0.000 2.894 342 D HA 0.056 4.696 4.640 -0.000 0.000 0.248 342 D C -0.455 175.872 176.300 0.045 0.000 1.291 342 D CA 0.100 54.106 54.000 0.011 0.000 0.840 342 D CB 0.899 41.674 40.800 -0.042 0.000 1.044 342 D HN 0.031 nan 8.370 nan 0.000 0.484 343 S N -0.361 115.401 115.700 0.102 0.000 2.643 343 S HA 0.133 4.603 4.470 -0.000 0.000 0.270 343 S C 0.187 174.822 174.600 0.058 0.000 1.166 343 S CA -0.576 57.648 58.200 0.041 0.000 0.815 343 S CB 2.023 65.202 63.200 -0.034 0.000 1.139 343 S HN -0.017 nan 8.310 nan 0.000 0.472 344 E N 0.704 120.886 120.200 -0.029 0.000 2.481 344 E HA 0.150 4.500 4.350 -0.000 0.000 0.195 344 E C -0.256 176.147 176.600 -0.328 0.000 1.047 344 E CA 0.608 56.980 56.400 -0.047 0.000 0.867 344 E CB -0.057 29.629 29.700 -0.023 0.000 0.858 344 E HN 0.663 nan 8.360 nan 0.000 0.513 345 S N 0.973 116.411 115.700 -0.436 0.000 3.631 345 S HA -0.162 4.308 4.470 -0.000 0.000 0.366 345 S C -0.546 173.719 174.600 -0.558 0.000 0.993 345 S CA 0.652 58.450 58.200 -0.670 0.000 1.167 345 S CB -1.083 61.325 63.200 -1.320 0.000 0.909 345 S HN 0.293 nan 8.310 nan 0.000 0.478 346 K N 1.073 121.267 120.400 -0.343 0.000 2.383 346 K HA 0.228 4.548 4.320 -0.000 0.000 0.286 346 K C 0.319 176.739 176.600 -0.300 0.000 1.051 346 K CA -0.117 56.015 56.287 -0.258 0.000 0.974 346 K CB 0.377 32.781 32.500 -0.161 0.000 0.968 346 K HN 0.220 nan 8.250 nan 0.000 0.475 347 I N 3.015 123.408 120.570 -0.295 0.000 2.331 347 I HA 0.026 4.196 4.170 -0.000 0.000 0.292 347 I C 1.142 177.177 176.117 -0.136 0.000 0.998 347 I CA -0.214 60.925 61.300 -0.269 0.000 1.267 347 I CB 0.881 38.720 38.000 -0.269 0.000 1.386 347 I HN 0.654 nan 8.210 nan 0.000 0.476 348 S N 6.288 121.924 115.700 -0.107 0.000 2.617 348 S HA 0.244 4.714 4.470 -0.000 0.000 0.259 348 S C 1.184 175.780 174.600 -0.006 0.000 1.301 348 S CA -0.359 57.805 58.200 -0.060 0.000 0.984 348 S CB 1.405 64.576 63.200 -0.048 0.000 0.954 348 S HN 0.597 nan 8.310 nan 0.000 0.572 349 R N 0.666 121.164 120.500 -0.003 0.000 2.081 349 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 349 R C 2.296 178.666 176.300 0.117 0.000 1.131 349 R CA 2.074 58.199 56.100 0.041 0.000 0.960 349 R CB -0.992 29.320 30.300 0.020 0.000 0.856 349 R HN 0.930 nan 8.270 nan 0.000 0.436 350 E N -0.122 120.118 120.200 0.067 0.000 2.038 350 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 350 E C 0.959 177.599 176.600 0.066 0.000 1.000 350 E CA 1.753 58.190 56.400 0.062 0.000 0.803 350 E CB -0.073 29.645 29.700 0.030 0.000 0.750 350 E HN 0.343 nan 8.360 nan 0.000 0.448 351 D N -0.310 120.118 120.400 0.047 0.000 2.219 351 D HA -0.131 4.509 4.640 -0.000 0.000 0.205 351 D C 1.595 177.942 176.300 0.079 0.000 0.970 351 D CA 0.474 54.495 54.000 0.035 0.000 0.851 351 D CB -0.295 40.487 40.800 -0.030 0.000 0.943 351 D HN 0.205 nan 8.370 nan 0.000 0.488 352 F N 1.456 121.394 119.950 -0.021 0.000 2.102 352 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 352 F C 2.203 178.016 175.800 0.021 0.000 1.105 352 F CA 1.232 59.233 58.000 0.002 0.000 1.239 352 F CB -0.140 38.842 39.000 -0.031 0.000 0.991 352 F HN -0.203 nan 8.300 nan 0.000 0.474 353 M N -0.071 119.592 119.600 0.105 0.000 2.082 353 M HA -0.239 4.241 4.480 -0.000 0.000 0.258 353 M C 2.381 178.644 176.300 -0.063 0.000 1.071 353 M CA 1.928 57.240 55.300 0.021 0.000 1.103 353 M CB -1.697 30.959 32.600 0.094 0.000 1.307 353 M HN 0.129 nan 8.290 nan 0.000 0.409 354 S N 0.667 116.355 115.700 -0.019 0.000 2.374 354 S HA -0.119 4.351 4.470 -0.000 0.000 0.227 354 S C 2.058 176.630 174.600 -0.046 0.000 1.037 354 S CA 1.502 59.691 58.200 -0.019 0.000 1.024 354 S CB -0.961 62.245 63.200 0.010 0.000 0.861 354 S HN 0.704 nan 8.310 nan 0.000 0.456 355 G N 1.832 110.594 108.800 -0.064 0.000 2.459 355 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 355 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 355 G C 1.682 176.490 174.900 -0.153 0.000 1.183 355 G CA 1.407 46.466 45.100 -0.069 0.000 0.776 355 G HN 0.568 nan 8.290 nan 0.000 0.552 356 V N 0.034 119.774 119.914 -0.290 0.000 2.343 356 V HA -0.104 4.016 4.120 -0.000 0.000 0.247 356 V C 2.536 178.543 176.094 -0.145 0.000 1.051 356 V CA 2.638 64.785 62.300 -0.254 0.000 1.036 356 V CB -0.736 30.891 31.823 -0.327 0.000 0.654 356 V HN 0.330 nan 8.190 nan 0.000 0.451 357 K N 0.507 120.834 120.400 -0.120 0.000 2.063 357 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 357 K C 1.843 178.391 176.600 -0.087 0.000 1.048 357 K CA 2.085 58.313 56.287 -0.099 0.000 0.928 357 K CB -0.740 31.718 32.500 -0.070 0.000 0.713 357 K HN 0.457 nan 8.250 nan 0.000 0.442 358 L N 0.530 121.718 121.223 -0.057 0.000 2.093 358 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 358 L C 2.165 179.029 176.870 -0.010 0.000 1.085 358 L CA 1.594 56.422 54.840 -0.020 0.000 0.755 358 L CB -0.663 41.395 42.059 -0.001 0.000 0.904 358 L HN 0.159 nan 8.230 nan 0.000 0.435 359 S N -1.561 114.117 115.700 -0.036 0.000 2.406 359 S HA 0.030 4.500 4.470 -0.000 0.000 0.228 359 S C 0.934 175.533 174.600 -0.003 0.000 1.020 359 S CA 0.520 58.711 58.200 -0.015 0.000 0.965 359 S CB 0.152 63.320 63.200 -0.053 0.000 0.798 359 S HN 0.143 nan 8.310 nan 0.000 0.488 360 V N 3.528 123.392 119.914 -0.083 0.000 2.233 360 V HA 0.212 4.332 4.120 -0.000 0.000 0.261 360 V C -1.709 174.251 176.094 -0.223 0.000 1.076 360 V CA -1.370 60.814 62.300 -0.192 0.000 1.001 360 V CB 0.695 32.346 31.823 -0.287 0.000 1.206 360 V HN 0.224 nan 8.190 nan 0.000 0.468 361 P HA -0.167 nan 4.420 nan 0.000 0.222 361 P C 0.952 177.922 177.300 -0.550 0.000 1.147 361 P CA 1.415 64.381 63.100 -0.224 0.000 0.790 361 P CB 0.076 31.815 31.700 0.065 0.000 0.780 362 H N -1.251 117.635 119.070 -0.307 0.000 2.526 362 H HA 0.529 5.085 4.556 -0.000 0.000 0.274 362 H C 0.398 175.608 175.328 -0.196 0.000 0.999 362 H CA -0.450 55.447 56.048 -0.251 0.000 1.157 362 H CB -0.504 29.256 29.762 -0.003 0.000 1.407 362 H HN -0.029 nan 8.280 nan 0.000 0.568 363 A N 2.119 124.643 122.820 -0.493 0.000 2.304 363 A HA 0.331 4.651 4.320 -0.000 0.000 0.301 363 A C 0.259 177.704 177.584 -0.232 0.000 1.132 363 A CA -0.623 51.200 52.037 -0.357 0.000 0.819 363 A CB 0.564 19.350 19.000 -0.357 0.000 1.094 363 A HN 0.620 nan 8.150 nan 0.000 0.492 364 N N 0.674 119.276 118.700 -0.163 0.000 2.413 364 N HA 0.134 4.874 4.740 -0.000 0.000 0.266 364 N C 0.259 175.711 175.510 -0.096 0.000 1.238 364 N CA -0.093 52.888 53.050 -0.114 0.000 0.972 364 N CB 0.191 38.628 38.487 -0.083 0.000 1.210 364 N HN 0.595 nan 8.380 nan 0.000 0.547 365 D N -0.907 119.454 120.400 -0.066 0.000 2.133 365 D HA -0.179 4.460 4.640 -0.000 0.000 0.195 365 D C 1.593 177.876 176.300 -0.029 0.000 0.997 365 D CA 1.053 55.028 54.000 -0.042 0.000 0.840 365 D CB -0.076 40.709 40.800 -0.025 0.000 0.947 365 D HN 0.479 nan 8.370 nan 0.000 0.452 366 L N -0.070 121.133 121.223 -0.034 0.000 2.046 366 L HA 0.039 4.378 4.340 -0.000 0.000 0.208 366 L C 2.265 179.120 176.870 -0.025 0.000 1.077 366 L CA 2.228 57.056 54.840 -0.020 0.000 0.747 366 L CB -0.989 41.050 42.059 -0.034 0.000 0.896 366 L HN 0.156 nan 8.230 nan 0.000 0.432 367 G N -0.793 107.964 108.800 -0.072 0.000 2.432 367 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 367 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 367 G C 1.588 176.463 174.900 -0.042 0.000 1.135 367 G CA 0.984 46.026 45.100 -0.097 0.000 0.767 367 G HN 0.423 nan 8.290 nan 0.000 0.550 368 L N 0.385 121.583 121.223 -0.042 0.000 2.027 368 L HA -0.035 4.305 4.340 -0.000 0.000 0.206 368 L C 2.494 179.396 176.870 0.052 0.000 1.074 368 L CA 1.137 55.968 54.840 -0.015 0.000 0.745 368 L CB -0.370 41.669 42.059 -0.035 0.000 0.898 368 L HN 0.088 nan 8.230 nan 0.000 0.433 369 D N 0.340 120.778 120.400 0.064 0.000 2.144 369 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 369 D C 2.199 178.589 176.300 0.149 0.000 0.984 369 D CA 1.448 55.514 54.000 0.111 0.000 0.834 369 D CB -0.050 40.804 40.800 0.091 0.000 0.955 369 D HN 0.313 nan 8.370 nan 0.000 0.465 370 A N 0.680 123.595 122.820 0.158 0.000 1.877 370 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 370 A C 2.555 180.295 177.584 0.260 0.000 1.186 370 A CA 1.335 53.529 52.037 0.263 0.000 0.620 370 A CB -0.775 18.418 19.000 0.322 0.000 0.822 370 A HN 0.149 nan 8.150 nan 0.000 0.443 371 V N -0.338 119.725 119.914 0.248 0.000 2.295 371 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 371 V C 2.751 178.952 176.094 0.179 0.000 1.049 371 V CA 2.478 64.889 62.300 0.185 0.000 1.024 371 V CB -1.344 30.578 31.823 0.165 0.000 0.648 371 V HN 0.605 nan 8.190 nan 0.000 0.447 372 T N 0.628 115.293 114.554 0.186 0.000 2.684 372 T HA -0.227 4.122 4.350 -0.000 0.000 0.267 372 T C 1.901 176.740 174.700 0.231 0.000 1.036 372 T CA 2.036 64.299 62.100 0.272 0.000 1.148 372 T CB -0.407 68.625 68.868 0.275 0.000 0.863 372 T HN 0.297 nan 8.240 nan 0.000 0.436 373 L N 1.117 122.460 121.223 0.200 0.000 2.083 373 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 373 L C 2.427 179.303 176.870 0.010 0.000 1.083 373 L CA 1.768 56.722 54.840 0.190 0.000 0.752 373 L CB -0.767 41.407 42.059 0.193 0.000 0.899 373 L HN 0.140 nan 8.230 nan 0.000 0.433 374 Q N -1.402 118.319 119.800 -0.132 0.000 2.224 374 Q HA -0.151 4.189 4.340 -0.000 0.000 0.203 374 Q C 0.675 176.396 176.000 -0.466 0.000 0.970 374 Q CA 1.643 57.177 55.803 -0.448 0.000 0.865 374 Q CB -0.101 27.998 28.738 -1.066 0.000 0.922 374 Q HN 0.684 nan 8.270 nan 0.000 0.445 375 Y N -1.060 119.173 120.300 -0.113 0.000 2.696 375 Y HA 0.368 4.918 4.550 -0.000 0.000 0.260 375 Y C -0.483 175.367 175.900 -0.084 0.000 1.165 375 Y CA -0.395 57.694 58.100 -0.019 0.000 1.189 375 Y CB 1.102 39.646 38.460 0.141 0.000 1.180 375 Y HN -0.201 nan 8.280 nan 0.000 0.538 376 T N 0.468 114.941 114.554 -0.134 0.000 2.812 376 T HA 0.109 4.458 4.350 -0.000 0.000 0.282 376 T C -1.079 173.313 174.700 -0.512 0.000 0.990 376 T CA -0.691 61.120 62.100 -0.483 0.000 0.960 376 T CB 1.235 69.606 68.868 -0.827 0.000 0.948 376 T HN 0.003 nan 8.240 nan 0.000 0.438 377 D N 2.030 122.164 120.400 -0.444 0.000 2.441 377 D HA 0.127 4.767 4.640 -0.000 0.000 0.221 377 D C 0.187 176.317 176.300 -0.284 0.000 1.156 377 D CA -0.763 53.078 54.000 -0.264 0.000 0.896 377 D CB 0.334 41.033 40.800 -0.167 0.000 1.028 377 D HN 0.620 nan 8.370 nan 0.000 0.509 378 W N 2.892 124.157 121.300 -0.057 0.000 2.721 378 W HA -0.015 4.645 4.660 -0.000 0.000 0.245 378 W C 1.887 178.380 176.519 -0.043 0.000 1.276 378 W CA -0.016 57.299 57.345 -0.050 0.000 1.342 378 W CB -0.013 29.423 29.460 -0.039 0.000 1.135 378 W HN 0.394 nan 8.180 nan 0.000 0.654 379 M N -0.671 119.007 119.600 0.130 0.000 2.561 379 M HA 0.032 4.512 4.480 -0.000 0.000 0.238 379 M C -0.015 176.307 176.300 0.036 0.000 1.131 379 M CA 1.085 56.434 55.300 0.081 0.000 1.046 379 M CB 0.220 32.846 32.600 0.044 0.000 1.532 379 M HN -0.215 nan 8.290 nan 0.000 0.497 380 D N -0.056 120.343 120.400 -0.002 0.000 3.888 380 D HA -0.024 4.616 4.640 -0.000 0.000 0.271 380 D C 0.348 176.576 176.300 -0.121 0.000 1.399 380 D CA 0.063 54.036 54.000 -0.044 0.000 0.775 380 D CB 0.258 41.028 40.800 -0.050 0.000 1.356 380 D HN 0.208 nan 8.370 nan 0.000 0.753 381 D N -0.767 119.557 120.400 -0.126 0.000 2.264 381 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 381 D C 0.636 176.805 176.300 -0.218 0.000 0.966 381 D CA 0.340 54.174 54.000 -0.277 0.000 0.864 381 D CB 0.161 40.806 40.800 -0.259 0.000 0.933 381 D HN 0.181 nan 8.370 nan 0.000 0.499 382 N N 0.748 119.380 118.700 -0.112 0.000 2.268 382 N HA -0.039 4.701 4.740 -0.000 0.000 0.204 382 N C 0.002 175.452 175.510 -0.099 0.000 1.124 382 N CA -0.140 52.855 53.050 -0.092 0.000 0.838 382 N CB -0.023 38.439 38.487 -0.041 0.000 0.994 382 N HN 0.169 nan 8.380 nan 0.000 0.489 383 N N 1.080 119.708 118.700 -0.121 0.000 2.406 383 N HA 0.020 4.760 4.740 -0.000 0.000 0.265 383 N C 1.314 176.756 175.510 -0.114 0.000 1.203 383 N CA 0.031 53.021 53.050 -0.101 0.000 0.945 383 N CB 0.837 39.267 38.487 -0.096 0.000 1.165 383 N HN 0.163 nan 8.380 nan 0.000 0.485 384 G N 4.266 113.008 108.800 -0.097 0.000 2.469 384 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 384 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 384 G C 1.543 176.383 174.900 -0.099 0.000 1.136 384 G CA 0.597 45.632 45.100 -0.108 0.000 0.759 384 G HN 0.696 nan 8.290 nan 0.000 0.562 385 I N -0.019 120.511 120.570 -0.067 0.000 2.286 385 I HA -0.076 4.094 4.170 -0.000 0.000 0.245 385 I C 2.732 178.842 176.117 -0.011 0.000 1.104 385 I CA 1.000 62.281 61.300 -0.030 0.000 1.397 385 I CB -0.136 37.861 38.000 -0.006 0.000 1.072 385 I HN 0.113 nan 8.210 nan 0.000 0.417 386 K N 0.629 121.004 120.400 -0.042 0.000 2.211 386 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 386 K C 1.756 178.318 176.600 -0.064 0.000 1.050 386 K CA 0.975 57.235 56.287 -0.045 0.000 0.945 386 K CB -0.138 32.305 32.500 -0.094 0.000 0.732 386 K HN 0.310 nan 8.250 nan 0.000 0.451 387 N N 0.878 119.506 118.700 -0.119 0.000 2.270 387 N HA -0.132 4.608 4.740 -0.000 0.000 0.181 387 N C 1.715 177.316 175.510 0.152 0.000 1.016 387 N CA 0.822 53.799 53.050 -0.122 0.000 0.870 387 N CB -0.055 38.327 38.487 -0.175 0.000 0.979 387 N HN 0.222 nan 8.380 nan 0.000 0.431 388 R N 1.142 121.686 120.500 0.074 0.000 2.057 388 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 388 R C 0.802 177.267 176.300 0.274 0.000 1.136 388 R CA 1.392 57.575 56.100 0.139 0.000 0.952 388 R CB 0.021 30.316 30.300 -0.010 0.000 0.848 388 R HN 0.033 nan 8.270 nan 0.000 0.430 389 D N -0.370 120.155 120.400 0.209 0.000 2.178 389 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 389 D C 1.717 178.162 176.300 0.242 0.000 0.974 389 D CA 1.374 55.512 54.000 0.230 0.000 0.841 389 D CB -0.478 40.428 40.800 0.177 0.000 0.953 389 D HN 0.506 nan 8.370 nan 0.000 0.478 390 G N 0.868 109.817 108.800 0.249 0.000 2.421 390 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 390 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 390 G C 1.598 176.656 174.900 0.263 0.000 1.171 390 G CA 0.319 45.611 45.100 0.320 0.000 0.775 390 G HN 0.175 nan 8.290 nan 0.000 0.543 391 L N 1.053 122.470 121.223 0.323 0.000 2.046 391 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 391 L C 2.386 179.323 176.870 0.111 0.000 1.077 391 L CA 2.227 57.169 54.840 0.169 0.000 0.747 391 L CB -0.691 41.553 42.059 0.308 0.000 0.896 391 L HN 0.326 nan 8.230 nan 0.000 0.432 392 D N -0.986 119.535 120.400 0.203 0.000 2.104 392 D HA -0.229 4.411 4.640 -0.000 0.000 0.194 392 D C 1.746 178.129 176.300 0.138 0.000 0.994 392 D CA 1.553 55.667 54.000 0.190 0.000 0.830 392 D CB 0.002 40.966 40.800 0.274 0.000 0.959 392 D HN 0.307 nan 8.370 nan 0.000 0.452 393 D N -0.240 120.250 120.400 0.151 0.000 2.117 393 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 393 D C 2.345 178.647 176.300 0.004 0.000 0.987 393 D CA 0.605 54.702 54.000 0.161 0.000 0.829 393 D CB -0.216 40.773 40.800 0.316 0.000 0.961 393 D HN 0.380 nan 8.370 nan 0.000 0.460 394 I N 0.694 121.117 120.570 -0.245 0.000 2.099 394 I HA -0.262 3.908 4.170 -0.000 0.000 0.239 394 I C 2.506 178.495 176.117 -0.213 0.000 1.066 394 I CA 0.843 61.922 61.300 -0.368 0.000 1.324 394 I CB -0.351 37.419 38.000 -0.384 0.000 1.037 394 I HN -0.102 nan 8.210 nan 0.000 0.401 395 V N 1.068 120.912 119.914 -0.117 0.000 2.392 395 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 395 V C 2.522 178.536 176.094 -0.133 0.000 1.059 395 V CA 2.196 64.443 62.300 -0.089 0.000 1.051 395 V CB -1.392 30.450 31.823 0.031 0.000 0.658 395 V HN 0.607 nan 8.190 nan 0.000 0.455 396 G N -0.641 108.134 108.800 -0.041 0.000 2.403 396 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 396 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 396 G C 1.228 176.066 174.900 -0.104 0.000 1.154 396 G CA 0.796 45.888 45.100 -0.013 0.000 0.784 396 G HN 0.493 nan 8.290 nan 0.000 0.538 397 D N -0.155 120.166 120.400 -0.132 0.000 2.097 397 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 397 D C 2.086 178.015 176.300 -0.620 0.000 0.984 397 D CA 1.148 55.020 54.000 -0.214 0.000 0.826 397 D CB -0.406 40.418 40.800 0.039 0.000 0.973 397 D HN 0.382 nan 8.370 nan 0.000 0.460 398 H N 0.943 119.332 119.070 -1.135 0.000 2.357 398 H HA 0.041 4.597 4.556 -0.000 0.000 0.301 398 H C 1.517 176.468 175.328 -0.629 0.000 1.082 398 H CA 1.613 56.910 56.048 -1.252 0.000 1.342 398 H CB 0.077 29.023 29.762 -1.360 0.000 1.389 398 H HN 0.004 nan 8.280 nan 0.000 0.511 399 N N -0.750 117.541 118.700 -0.682 0.000 2.368 399 N HA -0.015 4.725 4.740 -0.000 0.000 0.176 399 N C 1.244 176.518 175.510 -0.393 0.000 1.021 399 N CA 1.141 53.747 53.050 -0.739 0.000 0.888 399 N CB 0.950 38.568 38.487 -1.448 0.000 0.995 399 N HN 0.261 nan 8.380 nan 0.000 0.437 400 V N 0.670 120.421 119.914 -0.272 0.000 3.449 400 V HA 0.146 4.266 4.120 -0.000 0.000 0.208 400 V C 2.119 178.190 176.094 -0.038 0.000 1.269 400 V CA -0.077 62.191 62.300 -0.053 0.000 1.301 400 V CB -0.016 31.859 31.823 0.086 0.000 1.306 400 V HN -0.061 nan 8.190 nan 0.000 0.531 401 I N 0.678 121.241 120.570 -0.012 0.000 2.091 401 I HA -0.329 3.841 4.170 -0.000 0.000 0.239 401 I C 2.566 178.690 176.117 0.011 0.000 1.061 401 I CA 2.075 63.389 61.300 0.025 0.000 1.317 401 I CB -0.491 37.558 38.000 0.081 0.000 1.031 401 I HN 0.401 nan 8.210 nan 0.000 0.401 402 c N 0.504 119.100 118.600 -0.007 0.000 2.440 402 c HA -0.030 4.540 4.570 -0.000 0.000 0.278 402 c C 0.216 174.335 174.090 0.049 0.000 1.295 402 c CA 0.619 56.985 56.329 0.062 0.000 1.738 402 c CB -1.776 40.815 42.510 0.135 0.000 1.987 402 c HN 0.374 nan 8.230 nan 0.000 0.492 403 P HA -0.075 nan 4.420 nan 0.000 0.219 403 P C 1.703 179.025 177.300 0.037 0.000 1.150 403 P CA 1.017 64.087 63.100 -0.051 0.000 0.814 403 P CB -0.149 31.427 31.700 -0.207 0.000 0.787 404 L N -1.866 119.361 121.223 0.006 0.000 2.109 404 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 404 L C 2.031 178.947 176.870 0.076 0.000 1.086 404 L CA 1.418 56.276 54.840 0.030 0.000 0.760 404 L CB -0.440 41.605 42.059 -0.023 0.000 0.910 404 L HN -0.102 nan 8.230 nan 0.000 0.437 405 M N -1.129 118.508 119.600 0.061 0.000 2.175 405 M HA -0.205 4.275 4.480 -0.000 0.000 0.264 405 M C 2.205 178.573 176.300 0.113 0.000 1.063 405 M CA 1.537 56.869 55.300 0.053 0.000 1.119 405 M CB -1.527 31.120 32.600 0.079 0.000 1.377 405 M HN 0.379 nan 8.290 nan 0.000 0.415 406 H N -0.141 118.973 119.070 0.073 0.000 2.321 406 H HA -0.182 4.374 4.556 -0.000 0.000 0.300 406 H C 1.840 177.223 175.328 0.091 0.000 1.087 406 H CA 2.143 58.242 56.048 0.085 0.000 1.319 406 H CB -0.356 29.451 29.762 0.076 0.000 1.379 406 H HN 0.230 nan 8.280 nan 0.000 0.501 407 F N 0.099 120.042 119.950 -0.012 0.000 2.069 407 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 407 F C 2.616 178.363 175.800 -0.088 0.000 1.113 407 F CA 1.649 59.600 58.000 -0.082 0.000 1.214 407 F CB -1.022 37.922 39.000 -0.092 0.000 0.978 407 F HN 0.137 nan 8.300 nan 0.000 0.474 408 V N 1.123 120.991 119.914 -0.077 0.000 2.392 408 V HA -0.315 3.805 4.120 -0.000 0.000 0.249 408 V C 2.161 178.170 176.094 -0.142 0.000 1.059 408 V CA 2.643 64.804 62.300 -0.233 0.000 1.051 408 V CB -0.649 30.930 31.823 -0.407 0.000 0.658 408 V HN 0.466 nan 8.190 nan 0.000 0.455 409 N N -0.322 118.352 118.700 -0.044 0.000 2.270 409 N HA -0.079 4.660 4.740 -0.000 0.000 0.181 409 N C 1.786 177.289 175.510 -0.012 0.000 1.016 409 N CA 0.996 54.101 53.050 0.091 0.000 0.870 409 N CB -0.158 38.390 38.487 0.101 0.000 0.979 409 N HN 0.462 nan 8.380 nan 0.000 0.431 410 K N 0.414 120.727 120.400 -0.145 0.000 2.044 410 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 410 K C 1.929 178.517 176.600 -0.019 0.000 1.049 410 K CA 0.537 56.759 56.287 -0.109 0.000 0.945 410 K CB -0.786 31.590 32.500 -0.208 0.000 0.724 410 K HN 0.232 nan 8.250 nan 0.000 0.440 411 Y N 2.551 122.635 120.300 -0.360 0.000 2.181 411 Y HA -0.232 4.318 4.550 -0.000 0.000 0.288 411 Y C 2.168 178.081 175.900 0.022 0.000 1.146 411 Y CA 1.977 59.871 58.100 -0.345 0.000 1.164 411 Y CB -0.448 37.505 38.460 -0.845 0.000 0.982 411 Y HN 0.032 nan 8.280 nan 0.000 0.515 412 T N 0.914 115.525 114.554 0.095 0.000 2.897 412 T HA -0.168 4.182 4.350 -0.000 0.000 0.271 412 T C 1.664 176.354 174.700 -0.017 0.000 1.084 412 T CA 1.365 63.535 62.100 0.117 0.000 1.123 412 T CB -0.140 68.890 68.868 0.271 0.000 0.865 412 T HN 0.229 nan 8.240 nan 0.000 0.496 413 K N 0.164 120.513 120.400 -0.086 0.000 2.362 413 K HA 0.067 4.387 4.320 -0.000 0.000 0.200 413 K C 1.069 177.331 176.600 -0.565 0.000 1.046 413 K CA 0.967 57.059 56.287 -0.326 0.000 0.952 413 K CB -0.134 32.105 32.500 -0.435 0.000 0.753 413 K HN 0.465 nan 8.250 nan 0.000 0.466 414 F N -0.585 119.298 119.950 -0.111 0.000 2.819 414 F HA 0.233 4.760 4.527 -0.000 0.000 0.325 414 F C 1.553 177.222 175.800 -0.218 0.000 1.041 414 F CA -0.394 57.500 58.000 -0.176 0.000 1.184 414 F CB -0.305 38.531 39.000 -0.273 0.000 1.019 414 F HN -0.127 nan 8.300 nan 0.000 0.590 415 G N 0.199 108.902 108.800 -0.161 0.000 2.744 415 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.257 415 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.257 415 G C 0.430 175.357 174.900 0.045 0.000 1.244 415 G CA -0.165 44.841 45.100 -0.156 0.000 0.916 415 G HN 0.334 nan 8.290 nan 0.000 0.564 416 N N -0.458 118.327 118.700 0.141 0.000 2.282 416 N HA 0.292 5.032 4.740 -0.000 0.000 0.240 416 N C 0.226 175.815 175.510 0.132 0.000 1.182 416 N CA 0.415 53.530 53.050 0.108 0.000 0.874 416 N CB 0.380 38.924 38.487 0.095 0.000 1.126 416 N HN 0.885 nan 8.380 nan 0.000 0.516 417 G N 0.576 109.473 108.800 0.163 0.000 2.088 417 G HA2 0.043 4.003 3.960 -0.000 0.000 0.222 417 G HA3 0.043 4.003 3.960 -0.000 0.000 0.222 417 G C -1.330 173.648 174.900 0.130 0.000 1.690 417 G CA -0.675 44.498 45.100 0.121 0.000 0.923 417 G HN 0.013 nan 8.290 nan 0.000 0.730 418 T N 1.736 116.244 114.554 -0.076 0.000 2.848 418 T HA 0.665 5.015 4.350 -0.000 0.000 0.285 418 T C -1.261 173.219 174.700 -0.367 0.000 0.995 418 T CA -0.353 61.712 62.100 -0.058 0.000 0.970 418 T CB 1.252 70.189 68.868 0.116 0.000 0.976 418 T HN 0.417 nan 8.240 nan 0.000 0.441 419 Y N 2.166 122.403 120.300 -0.105 0.000 2.338 419 Y HA 0.661 5.211 4.550 -0.000 0.000 0.333 419 Y C -0.455 175.495 175.900 0.082 0.000 0.968 419 Y CA -1.211 56.789 58.100 -0.166 0.000 1.123 419 Y CB 1.502 39.413 38.460 -0.914 0.000 1.165 419 Y HN 0.446 nan 8.280 nan 0.000 0.452 420 L N 5.899 127.437 121.223 0.525 0.000 2.329 420 L HA 0.632 4.972 4.340 -0.000 0.000 0.279 420 L C -1.269 176.006 176.870 0.675 0.000 1.014 420 L CA -1.052 54.022 54.840 0.390 0.000 0.814 420 L CB 0.732 42.858 42.059 0.112 0.000 1.257 420 L HN 0.525 nan 8.230 nan 0.000 0.424 421 Y N 3.358 123.941 120.300 0.473 0.000 2.570 421 Y HA 0.736 5.286 4.550 -0.000 0.000 0.345 421 Y C -1.756 174.383 175.900 0.398 0.000 1.014 421 Y CA -2.100 56.239 58.100 0.399 0.000 1.063 421 Y CB 1.360 40.033 38.460 0.355 0.000 1.272 421 Y HN 0.543 nan 8.280 nan 0.000 0.477 422 F N 4.689 124.943 119.950 0.508 0.000 2.646 422 F HA 0.429 4.955 4.527 -0.000 0.000 0.364 422 F C -1.834 174.246 175.800 0.466 0.000 1.137 422 F CA -1.920 56.302 58.000 0.369 0.000 1.085 422 F CB 0.467 39.650 39.000 0.305 0.000 1.331 422 F HN 0.561 nan 8.300 nan 0.000 0.472 423 F N 7.541 127.547 119.950 0.094 0.000 2.466 423 F HA 0.266 4.793 4.527 -0.000 0.000 0.363 423 F C 0.353 175.984 175.800 -0.281 0.000 1.109 423 F CA -0.139 57.852 58.000 -0.015 0.000 1.161 423 F CB 0.436 39.504 39.000 0.114 0.000 1.117 423 F HN 0.528 nan 8.300 nan 0.000 0.539 424 N N 3.614 121.912 118.700 -0.669 0.000 2.571 424 N HA 0.084 4.824 4.740 -0.000 0.000 0.298 424 N C -1.292 173.973 175.510 -0.407 0.000 1.671 424 N CA -0.518 52.247 53.050 -0.474 0.000 0.900 424 N CB -0.550 37.790 38.487 -0.246 0.000 1.365 424 N HN 0.613 nan 8.380 nan 0.000 0.493 425 H N 0.355 118.905 119.070 -0.866 0.000 2.476 425 H HA 0.543 5.099 4.556 -0.000 0.000 0.328 425 H C -0.555 174.625 175.328 -0.247 0.000 1.073 425 H CA -0.687 55.031 56.048 -0.550 0.000 1.229 425 H CB 1.152 30.489 29.762 -0.708 0.000 1.432 425 H HN 0.144 nan 8.280 nan 0.000 0.477 426 R N 4.114 124.218 120.500 -0.661 0.000 2.196 426 R HA 0.523 4.863 4.340 -0.000 0.000 0.340 426 R C -0.766 175.198 176.300 -0.559 0.000 1.043 426 R CA -0.291 55.567 56.100 -0.403 0.000 0.883 426 R CB 0.112 30.283 30.300 -0.216 0.000 1.078 426 R HN 0.743 nan 8.270 nan 0.000 0.462 427 A N 3.486 126.225 122.820 -0.135 0.000 2.546 427 A HA 0.084 4.404 4.320 -0.000 0.000 0.243 427 A C 1.235 178.850 177.584 0.053 0.000 1.063 427 A CA 0.492 52.626 52.037 0.162 0.000 0.757 427 A CB 0.072 19.344 19.000 0.453 0.000 0.991 427 A HN 1.066 nan 8.150 nan 0.000 0.503 428 S N 1.677 117.441 115.700 0.106 0.000 2.442 428 S HA -0.186 4.284 4.470 -0.000 0.000 0.236 428 S C 0.837 175.418 174.600 -0.031 0.000 1.007 428 S CA 1.275 59.497 58.200 0.037 0.000 0.965 428 S CB -0.461 62.785 63.200 0.077 0.000 0.773 428 S HN 0.959 nan 8.310 nan 0.000 0.504 429 N N 0.416 119.061 118.700 -0.091 0.000 2.328 429 N HA 0.296 5.035 4.740 -0.000 0.000 0.247 429 N C -0.509 174.938 175.510 -0.106 0.000 1.165 429 N CA -0.557 52.400 53.050 -0.155 0.000 0.873 429 N CB -0.441 37.848 38.487 -0.330 0.000 1.125 429 N HN 0.300 nan 8.380 nan 0.000 0.513 430 L N 1.207 122.411 121.223 -0.031 0.000 2.453 430 L HA 0.067 4.407 4.340 -0.000 0.000 0.272 430 L C 1.355 178.209 176.870 -0.026 0.000 1.182 430 L CA 0.033 54.877 54.840 0.007 0.000 0.858 430 L CB 1.154 43.226 42.059 0.021 0.000 1.120 430 L HN 0.227 nan 8.230 nan 0.000 0.474 431 V N 0.499 120.372 119.914 -0.069 0.000 3.354 431 V HA 0.118 4.238 4.120 -0.000 0.000 0.258 431 V C 0.540 176.609 176.094 -0.041 0.000 1.159 431 V CA -0.370 61.849 62.300 -0.136 0.000 1.125 431 V CB -1.179 30.410 31.823 -0.389 0.000 0.774 431 V HN 0.638 nan 8.190 nan 0.000 0.464 432 W N 1.835 123.154 121.300 0.032 0.000 2.215 432 W HA 0.532 5.192 4.660 -0.000 0.000 0.342 432 W C -1.810 174.633 176.519 -0.126 0.000 1.237 432 W CA -2.165 55.173 57.345 -0.011 0.000 1.283 432 W CB -0.157 29.224 29.460 -0.132 0.000 1.131 432 W HN -0.033 nan 8.180 nan 0.000 0.606 433 P HA -0.074 nan 4.420 nan 0.000 0.269 433 P C 0.294 177.521 177.300 -0.122 0.000 1.209 433 P CA 0.262 63.350 63.100 -0.019 0.000 0.776 433 P CB 1.202 32.929 31.700 0.045 0.000 0.876 434 E N 3.101 123.304 120.200 0.006 0.000 2.130 434 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 434 E C 1.708 178.336 176.600 0.047 0.000 0.998 434 E CA 1.818 58.234 56.400 0.026 0.000 0.806 434 E CB -0.648 29.101 29.700 0.081 0.000 0.738 434 E HN 0.651 nan 8.360 nan 0.000 0.459 435 W N -0.305 121.042 121.300 0.078 0.000 2.392 435 W HA -0.143 4.517 4.660 -0.000 0.000 0.279 435 W C 1.392 177.973 176.519 0.103 0.000 1.225 435 W CA 0.641 58.040 57.345 0.091 0.000 1.233 435 W CB -0.850 28.671 29.460 0.103 0.000 1.122 435 W HN 0.083 nan 8.180 nan 0.000 0.561 436 M N 1.354 120.520 119.600 -0.724 0.000 2.460 436 M HA 0.082 4.562 4.480 -0.000 0.000 0.263 436 M C 1.801 177.962 176.300 -0.231 0.000 1.071 436 M CA 1.765 56.635 55.300 -0.717 0.000 1.096 436 M CB -0.827 31.197 32.600 -0.960 0.000 1.408 436 M HN 0.189 nan 8.290 nan 0.000 0.463 437 G N 0.398 109.123 108.800 -0.124 0.000 2.574 437 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.286 437 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.286 437 G C -0.164 174.706 174.900 -0.050 0.000 1.212 437 G CA -0.197 44.880 45.100 -0.038 0.000 0.979 437 G HN 0.217 nan 8.290 nan 0.000 0.557 438 V N 2.103 122.018 119.914 0.003 0.000 2.276 438 V HA 0.352 4.472 4.120 -0.000 0.000 0.249 438 V C 1.161 177.314 176.094 0.098 0.000 1.160 438 V CA -0.011 62.321 62.300 0.052 0.000 1.042 438 V CB -0.209 31.638 31.823 0.041 0.000 1.224 438 V HN 0.518 nan 8.190 nan 0.000 0.496 439 I N 3.005 123.601 120.570 0.044 0.000 2.752 439 I HA 0.052 4.222 4.170 -0.000 0.000 0.287 439 I C 0.974 177.231 176.117 0.233 0.000 1.188 439 I CA -0.281 61.046 61.300 0.045 0.000 1.427 439 I CB 0.111 37.956 38.000 -0.259 0.000 1.365 439 I HN 0.581 nan 8.210 nan 0.000 0.585 440 H N 4.867 123.982 119.070 0.076 0.000 3.157 440 H HA 0.168 4.724 4.556 -0.000 0.000 0.299 440 H C 1.003 176.301 175.328 -0.050 0.000 0.961 440 H CA 1.070 57.148 56.048 0.050 0.000 1.428 440 H CB 0.108 29.902 29.762 0.054 0.000 1.459 440 H HN 0.773 nan 8.280 nan 0.000 0.566 441 G N 3.738 112.341 108.800 -0.328 0.000 2.195 441 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.246 441 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.246 441 G C 0.539 175.365 174.900 -0.123 0.000 0.984 441 G CA 0.356 45.243 45.100 -0.356 0.000 0.633 441 G HN 0.627 nan 8.290 nan 0.000 0.525 442 Y N 1.650 121.989 120.300 0.066 0.000 2.470 442 Y HA 0.241 4.790 4.550 -0.000 0.000 0.302 442 Y C 2.267 178.253 175.900 0.143 0.000 1.194 442 Y CA 0.954 59.177 58.100 0.205 0.000 1.271 442 Y CB 0.360 38.978 38.460 0.262 0.000 1.092 442 Y HN 0.538 nan 8.280 nan 0.000 0.513 443 E N -0.355 119.795 120.200 -0.084 0.000 2.415 443 E HA -0.025 4.325 4.350 -0.000 0.000 0.197 443 E C 1.601 178.103 176.600 -0.163 0.000 1.007 443 E CA 0.496 56.558 56.400 -0.563 0.000 0.890 443 E CB -0.424 28.540 29.700 -1.226 0.000 0.891 443 E HN 0.517 nan 8.360 nan 0.000 0.496 444 I N 2.675 123.243 120.570 -0.004 0.000 2.208 444 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 444 I C 2.606 178.764 176.117 0.067 0.000 1.097 444 I CA 2.069 63.421 61.300 0.087 0.000 1.363 444 I CB -0.440 37.657 38.000 0.161 0.000 1.051 444 I HN 0.207 nan 8.210 nan 0.000 0.413 445 E N 0.957 121.165 120.200 0.013 0.000 2.160 445 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 445 E C 2.046 178.498 176.600 -0.247 0.000 0.991 445 E CA 1.466 57.792 56.400 -0.122 0.000 0.810 445 E CB -0.541 29.089 29.700 -0.116 0.000 0.742 445 E HN 0.414 nan 8.360 nan 0.000 0.466 446 F N 1.225 121.070 119.950 -0.175 0.000 2.259 446 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 446 F C 2.374 178.002 175.800 -0.288 0.000 1.088 446 F CA 0.575 58.438 58.000 -0.228 0.000 1.358 446 F CB -0.248 38.660 39.000 -0.153 0.000 1.040 446 F HN -0.131 nan 8.300 nan 0.000 0.505 447 V N -1.035 118.793 119.914 -0.144 0.000 2.427 447 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 447 V C 1.568 177.482 176.094 -0.299 0.000 1.051 447 V CA 1.608 63.693 62.300 -0.359 0.000 1.048 447 V CB -0.605 31.036 31.823 -0.304 0.000 0.666 447 V HN 0.194 nan 8.190 nan 0.000 0.456 448 F N 0.354 120.148 119.950 -0.260 0.000 2.692 448 F HA 0.432 4.959 4.527 -0.000 0.000 0.303 448 F C 1.766 177.443 175.800 -0.206 0.000 1.114 448 F CA 0.503 58.375 58.000 -0.214 0.000 1.361 448 F CB -0.257 38.601 39.000 -0.237 0.000 1.063 448 F HN 0.240 nan 8.300 nan 0.000 0.550 449 G N 0.035 108.738 108.800 -0.162 0.000 2.155 449 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 449 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 449 G C 1.247 175.825 174.900 -0.536 0.000 0.983 449 G CA 0.432 45.361 45.100 -0.285 0.000 0.676 449 G HN 0.276 nan 8.290 nan 0.000 0.528 450 L N 0.146 121.030 121.223 -0.564 0.000 2.089 450 L HA -0.097 4.243 4.340 -0.000 0.000 0.213 450 L C 0.259 176.663 176.870 -0.777 0.000 1.079 450 L CA 2.748 57.188 54.840 -0.665 0.000 0.758 450 L CB -1.978 39.792 42.059 -0.482 0.000 0.891 450 L HN 0.229 nan 8.230 nan 0.000 0.433 451 P HA -0.103 nan 4.420 nan 0.000 0.231 451 P C 1.635 178.664 177.300 -0.452 0.000 1.158 451 P CA 0.651 63.136 63.100 -1.025 0.000 0.763 451 P CB 0.101 31.137 31.700 -1.106 0.000 0.805 452 L N -1.624 119.340 121.223 -0.432 0.000 2.418 452 L HA 0.018 4.358 4.340 -0.000 0.000 0.218 452 L C 1.037 177.770 176.870 -0.227 0.000 1.125 452 L CA 0.729 55.404 54.840 -0.274 0.000 0.835 452 L CB -0.522 41.397 42.059 -0.234 0.000 0.953 452 L HN -0.114 nan 8.230 nan 0.000 0.454 453 V N -0.442 119.296 119.914 -0.294 0.000 2.348 453 V HA 0.193 4.313 4.120 -0.000 0.000 0.270 453 V C 1.488 177.532 176.094 -0.083 0.000 1.037 453 V CA -0.590 61.603 62.300 -0.178 0.000 0.872 453 V CB 0.836 32.528 31.823 -0.218 0.000 1.002 453 V HN 0.177 nan 8.190 nan 0.000 0.464 454 K N 4.343 124.712 120.400 -0.051 0.000 2.077 454 K HA -0.186 4.134 4.320 -0.000 0.000 0.213 454 K C 1.898 178.486 176.600 -0.021 0.000 1.051 454 K CA 2.276 58.548 56.287 -0.025 0.000 0.929 454 K CB -0.177 32.309 32.500 -0.023 0.000 0.715 454 K HN 1.004 nan 8.250 nan 0.000 0.451 455 E N 0.971 121.153 120.200 -0.029 0.000 2.396 455 E HA -0.170 4.180 4.350 -0.000 0.000 0.200 455 E C 1.801 178.375 176.600 -0.043 0.000 1.023 455 E CA 0.745 57.124 56.400 -0.034 0.000 0.857 455 E CB -0.434 29.245 29.700 -0.035 0.000 0.775 455 E HN 0.360 nan 8.360 nan 0.000 0.525 456 L N 0.328 121.536 121.223 -0.024 0.000 2.554 456 L HA 0.072 4.412 4.340 -0.000 0.000 0.226 456 L C 0.172 176.977 176.870 -0.108 0.000 1.137 456 L CA 0.281 55.105 54.840 -0.027 0.000 0.863 456 L CB -0.802 41.321 42.059 0.106 0.000 0.985 456 L HN 0.139 nan 8.230 nan 0.000 0.451 457 N N -1.789 116.877 118.700 -0.057 0.000 2.741 457 N HA -0.238 4.501 4.740 -0.000 0.000 0.250 457 N C -0.492 174.955 175.510 -0.105 0.000 1.115 457 N CA 0.137 53.136 53.050 -0.084 0.000 0.724 457 N CB -1.066 37.349 38.487 -0.121 0.000 1.090 457 N HN 0.260 nan 8.380 nan 0.000 0.558 458 Y N 1.049 121.312 120.300 -0.062 0.000 2.314 458 Y HA 0.137 4.687 4.550 -0.000 0.000 0.334 458 Y C 1.799 177.695 175.900 -0.006 0.000 1.266 458 Y CA 0.196 58.276 58.100 -0.034 0.000 1.391 458 Y CB 0.502 38.904 38.460 -0.098 0.000 1.306 458 Y HN 0.009 nan 8.280 nan 0.000 0.558 459 T N -1.684 112.993 114.554 0.204 0.000 2.788 459 T HA 0.383 4.733 4.350 -0.000 0.000 0.287 459 T C 1.203 175.967 174.700 0.106 0.000 1.007 459 T CA -0.330 61.846 62.100 0.128 0.000 1.005 459 T CB 1.126 70.075 68.868 0.134 0.000 1.012 459 T HN 0.757 nan 8.240 nan 0.000 0.530 460 A N 0.985 123.843 122.820 0.064 0.000 1.972 460 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 460 A C 2.289 179.895 177.584 0.037 0.000 1.169 460 A CA 1.267 53.327 52.037 0.039 0.000 0.635 460 A CB -0.698 18.317 19.000 0.025 0.000 0.810 460 A HN 0.928 nan 8.150 nan 0.000 0.446 461 E N 0.507 120.737 120.200 0.051 0.000 2.274 461 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 461 E C 1.363 177.989 176.600 0.044 0.000 0.996 461 E CA 1.129 57.548 56.400 0.032 0.000 0.840 461 E CB -0.491 29.224 29.700 0.025 0.000 0.772 461 E HN 0.797 nan 8.360 nan 0.000 0.491 462 E N 1.023 121.297 120.200 0.123 0.000 2.216 462 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 462 E C 2.011 178.678 176.600 0.112 0.000 0.988 462 E CA 0.492 57.043 56.400 0.252 0.000 0.834 462 E CB 0.076 30.051 29.700 0.457 0.000 0.772 462 E HN 0.343 nan 8.360 nan 0.000 0.479 463 E N 0.818 121.026 120.200 0.013 0.000 2.072 463 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 463 E C 2.015 178.587 176.600 -0.045 0.000 0.985 463 E CA 0.902 57.258 56.400 -0.073 0.000 0.801 463 E CB 0.004 29.671 29.700 -0.057 0.000 0.750 463 E HN 0.197 nan 8.360 nan 0.000 0.452 464 A N 1.094 123.905 122.820 -0.016 0.000 1.930 464 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 464 A C 2.105 179.676 177.584 -0.022 0.000 1.175 464 A CA 1.098 53.119 52.037 -0.027 0.000 0.627 464 A CB -0.561 18.425 19.000 -0.022 0.000 0.815 464 A HN 0.372 nan 8.150 nan 0.000 0.443 465 L N -0.183 121.050 121.223 0.017 0.000 2.017 465 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 465 L C 2.543 179.464 176.870 0.086 0.000 1.073 465 L CA 2.644 57.505 54.840 0.034 0.000 0.745 465 L CB -0.924 41.146 42.059 0.018 0.000 0.894 465 L HN 0.327 nan 8.230 nan 0.000 0.432 466 S N -0.682 115.104 115.700 0.144 0.000 2.359 466 S HA -0.225 4.244 4.470 -0.000 0.000 0.224 466 S C 2.188 176.751 174.600 -0.061 0.000 1.035 466 S CA 1.501 59.725 58.200 0.039 0.000 1.018 466 S CB -0.240 62.850 63.200 -0.183 0.000 0.876 466 S HN 0.549 nan 8.310 nan 0.000 0.448 467 R N 0.739 121.198 120.500 -0.068 0.000 2.081 467 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 467 R C 2.652 178.902 176.300 -0.082 0.000 1.131 467 R CA 1.739 57.795 56.100 -0.072 0.000 0.960 467 R CB -0.339 29.917 30.300 -0.074 0.000 0.856 467 R HN 0.603 nan 8.270 nan 0.000 0.436 468 R N 0.321 120.746 120.500 -0.125 0.000 2.148 468 R HA 0.004 4.344 4.340 -0.000 0.000 0.223 468 R C 1.951 178.054 176.300 -0.328 0.000 1.088 468 R CA 1.109 57.049 56.100 -0.268 0.000 0.985 468 R CB -0.377 29.733 30.300 -0.317 0.000 0.880 468 R HN 0.206 nan 8.270 nan 0.000 0.451 469 I N 1.164 121.663 120.570 -0.118 0.000 2.286 469 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 469 I C 2.529 178.612 176.117 -0.057 0.000 1.104 469 I CA 1.240 62.516 61.300 -0.041 0.000 1.397 469 I CB -0.131 37.728 38.000 -0.234 0.000 1.072 469 I HN 0.145 nan 8.210 nan 0.000 0.417 470 M N -0.511 119.022 119.600 -0.111 0.000 2.159 470 M HA -0.255 4.225 4.480 -0.000 0.000 0.263 470 M C 2.372 178.739 176.300 0.112 0.000 1.063 470 M CA 1.713 56.978 55.300 -0.059 0.000 1.110 470 M CB -0.616 31.942 32.600 -0.070 0.000 1.374 470 M HN 0.267 nan 8.290 nan 0.000 0.411 471 H N -0.498 118.569 119.070 -0.004 0.000 2.395 471 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 471 H C 1.530 176.966 175.328 0.180 0.000 1.070 471 H CA 1.841 57.904 56.048 0.025 0.000 1.356 471 H CB 0.029 29.746 29.762 -0.075 0.000 1.401 471 H HN 0.263 nan 8.280 nan 0.000 0.524 472 Y N -0.734 119.724 120.300 0.265 0.000 2.114 472 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 472 Y C 2.574 178.650 175.900 0.293 0.000 1.143 472 Y CA 1.115 59.403 58.100 0.313 0.000 1.135 472 Y CB -1.102 37.739 38.460 0.636 0.000 0.980 472 Y HN 0.353 nan 8.280 nan 0.000 0.499 473 W N -0.334 121.065 121.300 0.165 0.000 2.333 473 W HA -0.286 4.374 4.660 -0.000 0.000 0.316 473 W C 2.614 179.129 176.519 -0.007 0.000 1.215 473 W CA 1.374 58.743 57.345 0.041 0.000 1.278 473 W CB -0.603 28.826 29.460 -0.051 0.000 1.154 473 W HN 0.086 nan 8.180 nan 0.000 0.486 474 A N 0.078 123.002 122.820 0.172 0.000 1.873 474 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 474 A C 1.808 179.360 177.584 -0.054 0.000 1.186 474 A CA 2.384 54.431 52.037 0.016 0.000 0.616 474 A CB -1.318 17.681 19.000 -0.000 0.000 0.823 474 A HN 0.227 nan 8.150 nan 0.000 0.442 475 T N -0.566 113.910 114.554 -0.130 0.000 2.759 475 T HA -0.158 4.191 4.350 -0.000 0.000 0.269 475 T C 1.588 176.222 174.700 -0.111 0.000 1.042 475 T CA 1.635 63.627 62.100 -0.180 0.000 1.140 475 T CB -0.408 68.284 68.868 -0.294 0.000 0.864 475 T HN 0.500 nan 8.240 nan 0.000 0.455 476 F N 2.328 122.162 119.950 -0.193 0.000 2.113 476 F HA 0.055 4.582 4.527 -0.000 0.000 0.297 476 F C 2.447 178.141 175.800 -0.177 0.000 1.103 476 F CA 0.898 58.750 58.000 -0.247 0.000 1.248 476 F CB -0.775 38.012 39.000 -0.355 0.000 0.999 476 F HN 0.138 nan 8.300 nan 0.000 0.475 477 A N 0.643 123.323 122.820 -0.233 0.000 1.908 477 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 477 A C 2.256 179.680 177.584 -0.266 0.000 1.181 477 A CA 2.086 53.962 52.037 -0.269 0.000 0.627 477 A CB -0.708 18.222 19.000 -0.117 0.000 0.818 477 A HN 0.519 nan 8.150 nan 0.000 0.445 478 K N -1.336 118.944 120.400 -0.199 0.000 2.167 478 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 478 K C 1.781 178.277 176.600 -0.173 0.000 1.052 478 K CA 1.660 57.856 56.287 -0.152 0.000 0.956 478 K CB -0.089 32.349 32.500 -0.104 0.000 0.735 478 K HN 0.720 nan 8.250 nan 0.000 0.451 479 T N -4.800 109.618 114.554 -0.226 0.000 2.969 479 T HA 0.242 4.592 4.350 -0.000 0.000 0.258 479 T C 1.239 175.793 174.700 -0.244 0.000 0.962 479 T CA 0.430 62.416 62.100 -0.190 0.000 0.903 479 T CB 1.059 69.851 68.868 -0.126 0.000 1.177 479 T HN 0.264 nan 8.240 nan 0.000 0.511 480 G N 1.575 110.094 108.800 -0.468 0.000 2.157 480 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.248 480 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.248 480 G C -0.194 174.629 174.900 -0.128 0.000 0.979 480 G CA 0.034 44.831 45.100 -0.505 0.000 0.650 480 G HN 0.841 nan 8.290 nan 0.000 0.529 481 N N -0.128 118.486 118.700 -0.143 0.000 2.500 481 N HA 0.424 5.164 4.740 -0.000 0.000 0.291 481 N C -1.743 173.631 175.510 -0.226 0.000 1.092 481 N CA -1.510 51.433 53.050 -0.178 0.000 0.890 481 N CB 2.479 40.937 38.487 -0.048 0.000 1.466 481 N HN -0.047 nan 8.380 nan 0.000 0.507 482 P HA -0.019 nan 4.420 nan 0.000 0.234 482 P C -0.567 176.754 177.300 0.035 0.000 1.167 482 P CA 0.507 63.478 63.100 -0.215 0.000 0.763 482 P CB 0.319 31.674 31.700 -0.574 0.000 0.835 483 N N 1.239 119.926 118.700 -0.023 0.000 2.456 483 N HA 0.153 4.893 4.740 -0.000 0.000 0.288 483 N C -0.038 175.505 175.510 0.055 0.000 1.059 483 N CA -0.305 52.813 53.050 0.114 0.000 0.946 483 N CB 1.263 39.825 38.487 0.126 0.000 1.150 483 N HN 0.123 nan 8.380 nan 0.000 0.479 484 E N 2.679 122.929 120.200 0.084 0.000 2.223 484 E HA 0.167 4.517 4.350 -0.000 0.000 0.282 484 E C -1.922 174.633 176.600 -0.074 0.000 1.046 484 E CA -1.533 54.873 56.400 0.010 0.000 0.857 484 E CB 0.702 30.448 29.700 0.076 0.000 1.055 484 E HN 0.332 nan 8.360 nan 0.000 0.409 485 P HA -0.148 nan 4.420 nan 0.000 0.267 485 P C -0.312 176.666 177.300 -0.536 0.000 1.195 485 P CA 0.334 63.279 63.100 -0.257 0.000 0.773 485 P CB 0.160 31.715 31.700 -0.242 0.000 0.837 486 H N -1.187 117.922 119.070 0.065 0.000 2.580 486 H HA -0.182 4.374 4.556 -0.000 0.000 0.316 486 H C -0.307 175.058 175.328 0.062 0.000 1.073 486 H CA 0.499 56.582 56.048 0.058 0.000 1.135 486 H CB -2.771 27.018 29.762 0.046 0.000 1.437 486 H HN 0.438 nan 8.280 nan 0.000 0.404 487 S N -2.314 113.435 115.700 0.082 0.000 2.693 487 S HA 0.392 4.861 4.470 -0.000 0.000 0.276 487 S C 1.191 175.859 174.600 0.112 0.000 1.192 487 S CA -0.371 57.893 58.200 0.107 0.000 0.994 487 S CB 2.114 65.360 63.200 0.077 0.000 1.012 487 S HN 0.326 nan 8.310 nan 0.000 0.550 488 Q N 0.557 120.416 119.800 0.098 0.000 2.062 488 Q HA 0.181 4.521 4.340 -0.000 0.000 0.196 488 Q C -0.044 176.009 176.000 0.087 0.000 0.967 488 Q CA 1.104 56.958 55.803 0.084 0.000 0.832 488 Q CB -0.637 28.140 28.738 0.066 0.000 0.899 488 Q HN 0.815 nan 8.270 nan 0.000 0.442 489 E N 1.071 121.326 120.200 0.091 0.000 2.565 489 E HA -0.027 4.323 4.350 -0.000 0.000 0.268 489 E C -0.341 176.338 176.600 0.132 0.000 1.000 489 E CA 0.401 56.864 56.400 0.106 0.000 0.964 489 E CB 0.204 29.977 29.700 0.122 0.000 0.955 489 E HN 0.247 nan 8.360 nan 0.000 0.459 490 S N 2.820 118.597 115.700 0.128 0.000 2.558 490 S HA 0.041 4.511 4.470 -0.000 0.000 0.291 490 S C -0.003 174.709 174.600 0.187 0.000 1.306 490 S CA -0.534 57.744 58.200 0.130 0.000 1.056 490 S CB 0.560 63.820 63.200 0.101 0.000 0.836 490 S HN 0.209 nan 8.310 nan 0.000 0.504 491 K N 1.749 122.254 120.400 0.176 0.000 2.205 491 K HA 0.151 4.471 4.320 -0.000 0.000 0.279 491 K C -0.402 176.369 176.600 0.286 0.000 1.027 491 K CA -0.389 56.035 56.287 0.229 0.000 0.932 491 K CB 0.686 33.299 32.500 0.188 0.000 1.032 491 K HN 0.856 nan 8.250 nan 0.000 0.466 492 W N 7.243 128.605 121.300 0.103 0.000 2.481 492 W HA 0.171 4.830 4.660 -0.000 0.000 0.320 492 W C -2.284 174.361 176.519 0.210 0.000 1.209 492 W CA -2.569 54.832 57.345 0.093 0.000 1.400 492 W CB -0.064 29.360 29.460 -0.061 0.000 1.361 492 W HN 0.376 nan 8.180 nan 0.000 0.456 493 P HA 0.105 nan 4.420 nan 0.000 0.274 493 P C -0.171 177.312 177.300 0.306 0.000 1.231 493 P CA -0.190 63.126 63.100 0.359 0.000 0.790 493 P CB 1.648 33.479 31.700 0.218 0.000 0.951 494 L N 2.116 123.369 121.223 0.050 0.000 2.461 494 L HA 0.151 4.491 4.340 -0.000 0.000 0.272 494 L C 0.884 177.734 176.870 -0.035 0.000 1.197 494 L CA -0.446 54.234 54.840 -0.267 0.000 0.836 494 L CB -0.166 41.751 42.059 -0.237 0.000 1.105 494 L HN 0.356 nan 8.230 nan 0.000 0.477 495 F N 2.475 122.317 119.950 -0.180 0.000 2.420 495 F HA 0.341 4.868 4.527 -0.000 0.000 0.352 495 F C 0.403 176.177 175.800 -0.043 0.000 1.108 495 F CA -0.512 57.477 58.000 -0.019 0.000 1.162 495 F CB 0.905 39.924 39.000 0.031 0.000 1.118 495 F HN 0.457 nan 8.300 nan 0.000 0.510 496 T N 1.178 115.406 114.554 -0.542 0.000 2.912 496 T HA 0.179 4.529 4.350 -0.000 0.000 0.288 496 T C 0.880 175.254 174.700 -0.543 0.000 1.030 496 T CA -0.129 61.747 62.100 -0.373 0.000 1.020 496 T CB 1.506 70.245 68.868 -0.216 0.000 1.056 496 T HN 0.674 nan 8.240 nan 0.000 0.480 497 T N 0.151 114.544 114.554 -0.269 0.000 2.778 497 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 497 T C 1.569 176.155 174.700 -0.190 0.000 1.050 497 T CA 1.973 63.960 62.100 -0.189 0.000 1.137 497 T CB -0.487 68.324 68.868 -0.094 0.000 0.860 497 T HN 0.739 nan 8.240 nan 0.000 0.468 498 K N -0.238 120.054 120.400 -0.180 0.000 2.029 498 K HA 0.012 4.332 4.320 -0.000 0.000 0.205 498 K C 2.236 178.752 176.600 -0.140 0.000 1.042 498 K CA 1.371 57.581 56.287 -0.129 0.000 0.949 498 K CB -0.020 32.423 32.500 -0.096 0.000 0.740 498 K HN 0.367 nan 8.250 nan 0.000 0.442 499 E N 0.457 120.553 120.200 -0.174 0.000 2.318 499 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 499 E C -0.475 176.015 176.600 -0.184 0.000 0.998 499 E CA 0.049 56.366 56.400 -0.139 0.000 0.859 499 E CB 0.383 30.023 29.700 -0.101 0.000 0.812 499 E HN 0.243 nan 8.360 nan 0.000 0.492 500 Q N 0.971 120.502 119.800 -0.450 0.000 2.431 500 Q HA -0.230 4.110 4.340 -0.000 0.000 0.344 500 Q C -0.882 175.099 176.000 -0.032 0.000 1.384 500 Q CA 0.550 55.945 55.803 -0.680 0.000 0.984 500 Q CB -1.361 27.254 28.738 -0.205 0.000 1.204 500 Q HN 0.207 nan 8.270 nan 0.000 0.392 501 K N 0.716 121.125 120.400 0.016 0.000 2.154 501 K HA 0.670 4.989 4.320 -0.000 0.000 0.264 501 K C -0.049 176.875 176.600 0.541 0.000 1.008 501 K CA -0.187 56.231 56.287 0.218 0.000 0.937 501 K CB 0.641 33.202 32.500 0.102 0.000 1.002 501 K HN 0.256 nan 8.250 nan 0.000 0.469 502 F N -0.324 119.811 119.950 0.307 0.000 2.713 502 F HA 0.570 5.097 4.527 -0.000 0.000 0.311 502 F C -1.306 174.605 175.800 0.185 0.000 1.141 502 F CA -1.477 56.721 58.000 0.330 0.000 0.939 502 F CB 0.758 39.956 39.000 0.330 0.000 1.325 502 F HN 0.436 nan 8.300 nan 0.000 0.453 503 I N -0.415 120.292 120.570 0.229 0.000 2.846 503 I HA 0.650 4.820 4.170 -0.000 0.000 0.307 503 I C -1.118 175.152 176.117 0.255 0.000 1.053 503 I CA -0.819 60.455 61.300 -0.043 0.000 1.050 503 I CB 2.023 39.790 38.000 -0.390 0.000 1.239 503 I HN 0.467 nan 8.210 nan 0.000 0.439 504 D N 3.518 124.043 120.400 0.208 0.000 2.283 504 D HA 0.455 5.095 4.640 -0.000 0.000 0.248 504 D C -0.895 175.481 176.300 0.127 0.000 1.072 504 D CA 0.053 54.260 54.000 0.346 0.000 0.929 504 D CB 2.173 43.180 40.800 0.345 0.000 1.182 504 D HN 0.262 nan 8.370 nan 0.000 0.433 505 L N 2.961 124.248 121.223 0.107 0.000 2.353 505 L HA 0.287 4.627 4.340 -0.000 0.000 0.270 505 L C -0.606 176.164 176.870 -0.166 0.000 1.003 505 L CA -0.366 54.486 54.840 0.021 0.000 0.862 505 L CB 0.138 42.290 42.059 0.155 0.000 1.221 505 L HN 0.486 nan 8.230 nan 0.000 0.430 506 N N -0.370 118.244 118.700 -0.143 0.000 3.449 506 N HA 0.335 5.074 4.740 -0.000 0.000 0.312 506 N C 0.484 175.872 175.510 -0.203 0.000 1.582 506 N CA -0.075 52.826 53.050 -0.249 0.000 0.850 506 N CB 0.271 38.668 38.487 -0.150 0.000 1.822 506 N HN 0.086 nan 8.380 nan 0.000 0.577 507 T N -3.247 111.163 114.554 -0.239 0.000 3.055 507 T HA 0.120 4.470 4.350 -0.000 0.000 0.265 507 T C 0.186 174.851 174.700 -0.058 0.000 1.111 507 T CA 0.624 62.630 62.100 -0.156 0.000 1.118 507 T CB -0.419 68.358 68.868 -0.153 0.000 0.909 507 T HN 0.498 nan 8.240 nan 0.000 0.501 508 E N 2.092 122.273 120.200 -0.033 0.000 2.342 508 E HA 0.336 4.686 4.350 -0.000 0.000 0.257 508 E C -2.415 174.185 176.600 0.001 0.000 1.150 508 E CA -2.260 54.139 56.400 -0.002 0.000 0.926 508 E CB 0.115 29.825 29.700 0.016 0.000 1.074 508 E HN 0.181 nan 8.360 nan 0.000 0.449 509 P HA -0.091 nan 4.420 nan 0.000 0.270 509 P C -0.474 176.830 177.300 0.006 0.000 1.227 509 P CA 0.208 63.316 63.100 0.012 0.000 0.788 509 P CB 0.411 32.119 31.700 0.013 0.000 0.926 510 M N 1.884 121.490 119.600 0.011 0.000 2.245 510 M HA 0.062 4.542 4.480 -0.000 0.000 0.344 510 M C -0.352 175.911 176.300 -0.063 0.000 1.170 510 M CA 0.974 56.266 55.300 -0.014 0.000 1.135 510 M CB 0.051 32.659 32.600 0.013 0.000 1.574 510 M HN 0.168 nan 8.290 nan 0.000 0.452 511 K N 3.676 123.997 120.400 -0.132 0.000 2.378 511 K HA 0.558 4.878 4.320 -0.000 0.000 0.252 511 K C -1.634 174.699 176.600 -0.444 0.000 0.931 511 K CA -0.879 55.248 56.287 -0.267 0.000 0.794 511 K CB 2.552 34.877 32.500 -0.292 0.000 1.181 511 K HN 0.474 nan 8.250 nan 0.000 0.425 512 V N 4.130 123.774 119.914 -0.450 0.000 2.398 512 V HA 0.302 4.422 4.120 -0.000 0.000 0.286 512 V C -0.133 175.588 176.094 -0.621 0.000 1.026 512 V CA -0.632 61.410 62.300 -0.431 0.000 0.868 512 V CB 1.020 32.729 31.823 -0.190 0.000 0.982 512 V HN 0.701 nan 8.190 nan 0.000 0.443 513 H N 3.136 121.873 119.070 -0.555 0.000 2.858 513 H HA 0.695 5.251 4.556 -0.000 0.000 0.318 513 H C -0.880 174.157 175.328 -0.484 0.000 1.419 513 H CA -0.840 54.821 56.048 -0.645 0.000 1.373 513 H CB 1.977 31.050 29.762 -1.148 0.000 1.915 513 H HN 0.572 nan 8.280 nan 0.000 0.704 514 Q N 0.366 120.153 119.800 -0.023 0.000 2.340 514 Q HA 0.335 4.675 4.340 -0.000 0.000 0.276 514 Q C -0.695 175.498 176.000 0.321 0.000 1.048 514 Q CA -0.831 55.072 55.803 0.167 0.000 0.832 514 Q CB 2.960 31.743 28.738 0.075 0.000 1.373 514 Q HN 0.507 nan 8.270 nan 0.000 0.409 515 R N 0.895 121.617 120.500 0.370 0.000 3.152 515 R HA -0.195 4.144 4.340 -0.000 0.000 0.252 515 R C -0.485 175.974 176.300 0.266 0.000 0.930 515 R CA -0.115 56.157 56.100 0.286 0.000 0.642 515 R CB -1.622 28.780 30.300 0.170 0.000 1.205 515 R HN 0.539 nan 8.270 nan 0.000 0.452 516 L N 2.336 123.695 121.223 0.227 0.000 2.737 516 L HA -0.053 4.287 4.340 -0.000 0.000 0.275 516 L C 0.870 177.705 176.870 -0.058 0.000 1.179 516 L CA 0.853 55.600 54.840 -0.155 0.000 0.970 516 L CB -0.276 41.340 42.059 -0.738 0.000 1.268 516 L HN 0.440 nan 8.230 nan 0.000 0.485 517 R N 2.054 122.530 120.500 -0.040 0.000 3.301 517 R HA -0.203 4.137 4.340 -0.000 0.000 0.249 517 R C 1.251 177.607 176.300 0.093 0.000 0.964 517 R CA 0.611 56.728 56.100 0.029 0.000 0.653 517 R CB -2.146 28.181 30.300 0.045 0.000 1.043 517 R HN 0.770 nan 8.270 nan 0.000 0.454 518 V N -2.930 117.041 119.914 0.095 0.000 2.287 518 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 518 V C 2.308 178.472 176.094 0.117 0.000 1.053 518 V CA 2.140 64.509 62.300 0.116 0.000 1.027 518 V CB -0.487 31.398 31.823 0.104 0.000 0.646 518 V HN 0.332 nan 8.190 nan 0.000 0.447 519 Q N -0.045 119.804 119.800 0.083 0.000 1.985 519 Q HA -0.204 4.136 4.340 -0.000 0.000 0.207 519 Q C 2.210 178.267 176.000 0.096 0.000 0.996 519 Q CA 2.511 58.349 55.803 0.057 0.000 0.851 519 Q CB -0.474 28.267 28.738 0.006 0.000 0.921 519 Q HN 0.556 nan 8.270 nan 0.000 0.418 520 M N -0.937 118.738 119.600 0.126 0.000 2.117 520 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 520 M C 2.450 179.028 176.300 0.464 0.000 1.065 520 M CA 1.091 56.539 55.300 0.247 0.000 1.114 520 M CB -1.378 31.437 32.600 0.359 0.000 1.361 520 M HN 0.354 nan 8.290 nan 0.000 0.408 521 c N -0.325 118.504 118.600 0.381 0.000 2.432 521 c HA -0.050 4.519 4.570 -0.000 0.000 0.280 521 c C 2.961 177.242 174.090 0.318 0.000 1.353 521 c CA 0.300 56.864 56.329 0.392 0.000 1.766 521 c CB -0.966 41.703 42.510 0.266 0.000 1.924 521 c HN 0.338 nan 8.230 nan 0.000 0.509 522 V N 0.465 120.525 119.914 0.244 0.000 2.427 522 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 522 V C 2.041 178.264 176.094 0.215 0.000 1.051 522 V CA 2.178 64.595 62.300 0.194 0.000 1.048 522 V CB -0.794 31.113 31.823 0.139 0.000 0.666 522 V HN 0.561 nan 8.190 nan 0.000 0.456 523 F N 0.044 120.030 119.950 0.060 0.000 2.075 523 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 523 F C 2.014 177.797 175.800 -0.028 0.000 1.113 523 F CA 1.802 59.787 58.000 -0.025 0.000 1.218 523 F CB -0.439 38.417 39.000 -0.239 0.000 0.984 523 F HN 0.164 nan 8.300 nan 0.000 0.472 524 W N 0.632 122.057 121.300 0.208 0.000 2.388 524 W HA -0.117 4.543 4.660 -0.000 0.000 0.294 524 W C 2.177 178.687 176.519 -0.015 0.000 1.212 524 W CA 0.957 58.342 57.345 0.067 0.000 1.271 524 W CB -0.561 29.045 29.460 0.243 0.000 1.126 524 W HN -0.020 nan 8.180 nan 0.000 0.535 525 N N -0.627 118.214 118.700 0.235 0.000 2.395 525 N HA -0.028 4.712 4.740 -0.000 0.000 0.175 525 N C 1.412 176.949 175.510 0.045 0.000 1.029 525 N CA 0.963 54.070 53.050 0.095 0.000 0.897 525 N CB -0.086 38.486 38.487 0.141 0.000 0.991 525 N HN 0.392 nan 8.380 nan 0.000 0.441 526 Q N -1.104 118.737 119.800 0.069 0.000 2.606 526 Q HA 0.184 4.524 4.340 -0.000 0.000 0.215 526 Q C 1.265 177.286 176.000 0.036 0.000 0.908 526 Q CA -0.085 55.757 55.803 0.064 0.000 0.908 526 Q CB 0.059 28.864 28.738 0.112 0.000 1.120 526 Q HN 0.101 nan 8.270 nan 0.000 0.628 527 F N 1.773 121.641 119.950 -0.137 0.000 2.060 527 F HA -0.159 4.368 4.527 -0.000 0.000 0.295 527 F C 1.980 177.592 175.800 -0.313 0.000 1.120 527 F CA 0.931 58.812 58.000 -0.198 0.000 1.205 527 F CB -0.351 38.545 39.000 -0.173 0.000 0.986 527 F HN 0.035 nan 8.300 nan 0.000 0.470 528 L N 1.154 121.952 121.223 -0.709 0.000 2.013 528 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 528 L C -0.804 175.783 176.870 -0.471 0.000 1.073 528 L CA 2.266 56.637 54.840 -0.781 0.000 0.753 528 L CB -1.962 39.590 42.059 -0.844 0.000 0.890 528 L HN 0.010 nan 8.230 nan 0.000 0.432 529 P HA -0.199 nan 4.420 nan 0.000 0.216 529 P C 1.384 178.569 177.300 -0.192 0.000 1.153 529 P CA 1.743 64.742 63.100 -0.168 0.000 0.858 529 P CB -0.056 31.584 31.700 -0.101 0.000 0.789 530 K N -0.835 119.423 120.400 -0.236 0.000 2.148 530 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 530 K C 2.090 178.529 176.600 -0.268 0.000 1.050 530 K CA 0.891 57.055 56.287 -0.204 0.000 0.942 530 K CB -0.727 31.678 32.500 -0.159 0.000 0.724 530 K HN 0.175 nan 8.250 nan 0.000 0.446 531 L N 1.126 122.076 121.223 -0.454 0.000 2.027 531 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 531 L C 2.018 178.736 176.870 -0.253 0.000 1.074 531 L CA 1.172 55.754 54.840 -0.429 0.000 0.745 531 L CB -0.104 41.551 42.059 -0.673 0.000 0.898 531 L HN 0.131 nan 8.230 nan 0.000 0.433 532 L N 0.023 121.105 121.223 -0.235 0.000 2.201 532 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 532 L C 2.184 178.994 176.870 -0.101 0.000 1.105 532 L CA 1.276 56.027 54.840 -0.148 0.000 0.775 532 L CB -0.757 41.230 42.059 -0.120 0.000 0.913 532 L HN 0.437 nan 8.230 nan 0.000 0.440 533 N N 0.524 119.161 118.700 -0.105 0.000 2.080 533 N HA -0.065 4.675 4.740 -0.000 0.000 0.189 533 N C 0.977 176.450 175.510 -0.061 0.000 1.036 533 N CA 0.907 53.915 53.050 -0.071 0.000 0.846 533 N CB 0.004 38.450 38.487 -0.069 0.000 1.015 533 N HN 0.282 nan 8.380 nan 0.000 0.423 534 A N -0.899 121.876 122.820 -0.074 0.000 2.521 534 A HA 0.375 4.695 4.320 -0.000 0.000 0.237 534 A C 0.571 178.126 177.584 -0.048 0.000 1.087 534 A CA 0.755 52.758 52.037 -0.056 0.000 0.777 534 A CB -0.108 18.856 19.000 -0.061 0.000 1.035 534 A HN 0.403 nan 8.150 nan 0.000 0.510 535 T N 0.000 114.534 114.554 -0.034 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 535 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658