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 2exi_1_B DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPGPSICRVG DDYYIAVSTF EWFPGVRIYH SKDLKNWRLV DATA SEQUENCE ARPLNRLSQL NMIGNPDSGG VWAPHLSYSD GKFWLIYTDV KVVEGQWKDG DATA SEQUENCE HNYLVTCDTI DGAWSDPIYL NSSGFDPSLF HDEDGRKYLV NMYWDHRVDH DATA SEQUENCE HPFYGIVLQE YSVEQKKLVG EPKIIFKGTD LRITEGPHLY KINGYYYLLT DATA SEQUENCE AEGGTRYNHA ATIARSTSLY GPYEVHPDNP LLTSWPYPRN PLQKAGHASI DATA SEQUENCE VHTHTDEWFL VHLTGRPLPR EGQPLLEHRG YCPLGRETAI QRLEWKDGWP DATA SEQUENCE YVVGGNGPSL EIDGPSVEEV SWEKDYDEKD DFDGDTLNHH FQTLRIPLGE DATA SEQUENCE DIATLKARPG HLRLYGRESL TSRFTQAFVA RRWQHFHFVA ETKVSFRPTT DATA SEQUENCE FQQSAGLVNY YNTQNWTTLQ ITWHEEKGRI LELMTCDHLV VDQPLRGREI DATA SEQUENCE VVPDDIEYVY LRVTVQATTY KYSYSFDGMN WIDLPVTFES YKLSDDYIKS DATA SEQUENCE RAAFTGAFVG MHCRDGSGQN NYADFDYFLY KEL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.604 176.600 0.006 0.000 0.988 3 K CA 0.000 56.293 56.287 0.009 0.000 0.838 3 K CB 0.000 32.508 32.500 0.013 0.000 1.064 4 I N 3.024 123.607 120.570 0.023 0.000 2.362 4 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 4 I C -0.945 175.197 176.117 0.042 0.000 0.994 4 I CA -1.030 60.285 61.300 0.026 0.000 1.158 4 I CB 1.735 39.748 38.000 0.022 0.000 1.315 4 I HN 0.049 nan 8.210 nan 0.000 0.451 5 K N 6.116 126.541 120.400 0.042 0.000 2.213 5 K HA 0.354 4.674 4.320 -0.000 0.000 0.270 5 K C -0.581 176.043 176.600 0.039 0.000 1.002 5 K CA -0.372 55.942 56.287 0.045 0.000 0.868 5 K CB 0.765 33.292 32.500 0.046 0.000 1.093 5 K HN 0.392 nan 8.250 nan 0.000 0.454 6 N N 4.205 122.930 118.700 0.041 0.000 2.515 6 N HA 0.386 5.125 4.740 -0.000 0.000 0.279 6 N C -2.482 173.047 175.510 0.032 0.000 1.164 6 N CA -1.629 51.434 53.050 0.021 0.000 0.982 6 N CB 0.985 39.493 38.487 0.036 0.000 1.170 6 N HN 0.472 nan 8.380 nan 0.000 0.474 7 P HA 0.226 nan 4.420 nan 0.000 0.278 7 P C 0.907 178.135 177.300 -0.119 0.000 1.238 7 P CA -0.351 62.702 63.100 -0.077 0.000 0.794 7 P CB 0.642 32.291 31.700 -0.086 0.000 0.955 8 I N -0.410 120.048 120.570 -0.187 0.000 2.617 8 I HA 0.072 4.242 4.170 -0.000 0.000 0.256 8 I C 0.155 176.037 176.117 -0.392 0.000 1.167 8 I CA 1.047 62.225 61.300 -0.204 0.000 1.469 8 I CB -0.318 37.563 38.000 -0.198 0.000 1.098 8 I HN 0.071 nan 8.210 nan 0.000 0.436 9 L N 1.612 122.508 121.223 -0.544 0.000 2.343 9 L HA 0.498 4.838 4.340 -0.000 0.000 0.278 9 L C -0.486 176.036 176.870 -0.579 0.000 0.996 9 L CA -0.265 54.072 54.840 -0.838 0.000 0.831 9 L CB 1.778 43.055 42.059 -1.303 0.000 1.232 9 L HN -0.041 nan 8.230 nan 0.000 0.413 10 T N 1.869 116.151 114.554 -0.454 0.000 2.859 10 T HA 0.711 5.061 4.350 -0.000 0.000 0.281 10 T C 0.313 174.976 174.700 -0.062 0.000 1.005 10 T CA 0.628 62.598 62.100 -0.217 0.000 1.025 10 T CB 1.772 70.482 68.868 -0.263 0.000 0.977 10 T HN 0.969 nan 8.240 nan 0.000 0.458 11 G N 2.570 111.324 108.800 -0.076 0.000 2.750 11 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.228 11 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.228 11 G C -0.254 174.673 174.900 0.046 0.000 1.367 11 G CA -0.417 44.650 45.100 -0.054 0.000 0.871 11 G HN 0.901 nan 8.290 nan 0.000 0.560 12 F N 2.294 122.097 119.950 -0.245 0.000 2.408 12 F HA 0.355 4.882 4.527 -0.000 0.000 0.361 12 F C 0.775 176.311 175.800 -0.440 0.000 1.108 12 F CA 0.529 58.379 58.000 -0.249 0.000 0.982 12 F CB -0.805 38.046 39.000 -0.248 0.000 0.980 12 F HN 0.527 nan 8.300 nan 0.000 0.557 13 H N 5.119 124.066 119.070 -0.205 0.000 2.695 13 H HA 0.309 4.865 4.556 -0.000 0.000 0.222 13 H C -2.617 172.617 175.328 -0.156 0.000 1.412 13 H CA -1.324 54.543 56.048 -0.303 0.000 1.347 13 H CB 0.428 30.005 29.762 -0.308 0.000 1.858 13 H HN 0.334 nan 8.280 nan 0.000 0.519 14 P HA 0.249 nan 4.420 nan 0.000 0.281 14 P C 0.678 177.984 177.300 0.011 0.000 1.281 14 P CA -0.322 62.820 63.100 0.071 0.000 0.811 14 P CB 0.934 32.753 31.700 0.200 0.000 1.154 15 G N 0.086 108.852 108.800 -0.055 0.000 2.386 15 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.295 15 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.295 15 G C -2.281 172.659 174.900 0.067 0.000 0.979 15 G CA -0.528 44.483 45.100 -0.149 0.000 1.193 15 G HN 0.449 nan 8.290 nan 0.000 0.508 16 P HA 0.368 nan 4.420 nan 0.000 0.276 16 P C -0.160 177.253 177.300 0.189 0.000 1.235 16 P CA 0.139 63.293 63.100 0.090 0.000 0.772 16 P CB 1.886 33.588 31.700 0.003 0.000 0.871 17 S N 4.083 119.881 115.700 0.163 0.000 2.566 17 S HA 0.449 4.919 4.470 -0.000 0.000 0.324 17 S C -0.401 174.295 174.600 0.160 0.000 1.081 17 S CA -0.913 57.395 58.200 0.180 0.000 1.105 17 S CB -0.154 63.159 63.200 0.189 0.000 0.981 17 S HN 0.425 nan 8.310 nan 0.000 0.464 18 I N 4.903 125.589 120.570 0.192 0.000 2.396 18 I HA 0.575 4.745 4.170 -0.000 0.000 0.292 18 I C -0.643 175.661 176.117 0.312 0.000 0.999 18 I CA -0.505 60.952 61.300 0.261 0.000 1.310 18 I CB 0.915 39.080 38.000 0.275 0.000 1.404 18 I HN 0.808 nan 8.210 nan 0.000 0.496 19 C N 8.304 127.838 119.300 0.390 0.000 2.481 19 C HA 0.497 4.957 4.460 -0.000 0.000 0.324 19 C C -0.351 174.883 174.990 0.406 0.000 1.170 19 C CA -0.661 58.599 59.018 0.404 0.000 1.361 19 C CB 1.137 29.141 27.740 0.440 0.000 1.977 19 C HN 0.936 nan 8.230 nan 0.000 0.459 20 R N 4.370 125.017 120.500 0.245 0.000 2.312 20 R HA 0.724 5.063 4.340 -0.000 0.000 0.311 20 R C -1.425 174.857 176.300 -0.030 0.000 1.004 20 R CA -0.268 55.801 56.100 -0.051 0.000 0.902 20 R CB 1.224 31.452 30.300 -0.120 0.000 1.073 20 R HN 0.666 nan 8.270 nan 0.000 0.457 21 V N 5.454 125.286 119.914 -0.137 0.000 2.380 21 V HA 0.368 4.488 4.120 -0.000 0.000 0.272 21 V C 0.866 176.807 176.094 -0.254 0.000 1.011 21 V CA 0.186 62.348 62.300 -0.230 0.000 0.826 21 V CB 0.548 32.153 31.823 -0.363 0.000 1.040 21 V HN 1.194 nan 8.190 nan 0.000 0.441 22 G N 5.019 113.679 108.800 -0.234 0.000 2.595 22 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.297 22 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.297 22 G C 0.444 175.150 174.900 -0.323 0.000 1.181 22 G CA 0.653 45.619 45.100 -0.223 0.000 0.963 22 G HN 0.923 nan 8.290 nan 0.000 0.541 23 D N 1.223 121.400 120.400 -0.372 0.000 2.440 23 D HA 0.289 4.929 4.640 -0.000 0.000 0.216 23 D C -0.336 175.829 176.300 -0.226 0.000 1.150 23 D CA 0.140 53.879 54.000 -0.435 0.000 0.832 23 D CB 0.138 40.519 40.800 -0.699 0.000 0.992 23 D HN 0.306 nan 8.370 nan 0.000 0.502 24 D N 0.626 120.839 120.400 -0.311 0.000 2.232 24 D HA 0.236 4.876 4.640 -0.000 0.000 0.242 24 D C -0.727 175.227 176.300 -0.575 0.000 1.093 24 D CA -0.215 53.646 54.000 -0.231 0.000 0.845 24 D CB 0.972 41.756 40.800 -0.027 0.000 1.124 24 D HN 0.115 nan 8.370 nan 0.000 0.467 25 Y N 1.299 121.337 120.300 -0.435 0.000 2.409 25 Y HA 0.420 4.969 4.550 -0.000 0.000 0.343 25 Y C -0.518 175.213 175.900 -0.283 0.000 0.973 25 Y CA -0.927 57.032 58.100 -0.236 0.000 1.064 25 Y CB 1.452 39.846 38.460 -0.110 0.000 1.207 25 Y HN 0.245 nan 8.280 nan 0.000 0.452 26 Y N 2.840 123.438 120.300 0.496 0.000 2.477 26 Y HA 0.657 5.206 4.550 -0.000 0.000 0.347 26 Y C -0.639 175.488 175.900 0.379 0.000 0.981 26 Y CA -1.064 57.308 58.100 0.453 0.000 1.033 26 Y CB 1.853 40.488 38.460 0.292 0.000 1.245 26 Y HN 0.367 nan 8.280 nan 0.000 0.455 27 I N 2.760 123.586 120.570 0.426 0.000 2.418 27 I HA 0.655 4.824 4.170 -0.000 0.000 0.287 27 I C -0.551 175.665 176.117 0.165 0.000 1.008 27 I CA -0.822 60.570 61.300 0.153 0.000 1.104 27 I CB 1.621 39.486 38.000 -0.225 0.000 1.264 27 I HN 0.734 nan 8.210 nan 0.000 0.438 28 A N 6.689 129.582 122.820 0.121 0.000 2.305 28 A HA 0.843 5.163 4.320 -0.000 0.000 0.322 28 A C -0.455 177.160 177.584 0.051 0.000 1.187 28 A CA -0.475 51.603 52.037 0.067 0.000 0.825 28 A CB 1.235 20.251 19.000 0.026 0.000 1.164 28 A HN 0.590 nan 8.150 nan 0.000 0.498 29 V N 0.191 120.119 119.914 0.023 0.000 3.040 29 V HA 0.857 4.977 4.120 -0.000 0.000 0.312 29 V C 0.109 176.154 176.094 -0.083 0.000 1.115 29 V CA -0.393 61.898 62.300 -0.014 0.000 0.998 29 V CB 1.364 33.182 31.823 -0.008 0.000 1.042 29 V HN 1.164 nan 8.190 nan 0.000 0.433 30 S N 1.013 116.654 115.700 -0.098 0.000 2.592 30 S HA 0.489 4.959 4.470 -0.000 0.000 0.271 30 S C 0.758 175.286 174.600 -0.119 0.000 1.326 30 S CA 0.228 58.343 58.200 -0.141 0.000 1.024 30 S CB 1.050 64.092 63.200 -0.264 0.000 0.921 30 S HN 1.499 nan 8.310 nan 0.000 0.527 31 T N -2.492 112.069 114.554 0.011 0.000 3.016 31 T HA 0.326 4.676 4.350 -0.000 0.000 0.271 31 T C 0.527 175.635 174.700 0.681 0.000 0.968 31 T CA -0.259 62.015 62.100 0.290 0.000 0.891 31 T CB -0.825 68.107 68.868 0.108 0.000 1.149 31 T HN 0.511 nan 8.240 nan 0.000 0.524 32 F N 2.782 122.961 119.950 0.383 0.000 2.756 32 F HA -0.355 4.172 4.527 -0.000 0.000 0.240 32 F C 1.904 177.848 175.800 0.241 0.000 1.487 32 F CA 2.073 60.281 58.000 0.346 0.000 1.859 32 F CB -1.079 38.114 39.000 0.321 0.000 1.319 32 F HN 0.340 nan 8.300 nan 0.000 0.230 33 E N 0.582 120.984 120.200 0.337 0.000 2.481 33 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 33 E C -0.029 176.524 176.600 -0.078 0.000 1.047 33 E CA 0.557 56.980 56.400 0.039 0.000 0.867 33 E CB -0.392 29.225 29.700 -0.139 0.000 0.858 33 E HN 0.503 nan 8.360 nan 0.000 0.513 34 W N 1.045 122.421 121.300 0.126 0.000 2.272 34 W HA 0.381 5.041 4.660 -0.000 0.000 0.318 34 W C -0.199 176.383 176.519 0.106 0.000 1.255 34 W CA -0.723 56.659 57.345 0.063 0.000 1.200 34 W CB 0.417 29.917 29.460 0.066 0.000 1.170 34 W HN -0.116 nan 8.180 nan 0.000 0.549 35 F N 6.195 126.246 119.950 0.169 0.000 2.480 35 F HA 0.538 5.065 4.527 -0.000 0.000 0.329 35 F C -1.770 174.065 175.800 0.060 0.000 1.091 35 F CA -2.964 55.073 58.000 0.062 0.000 0.972 35 F CB 1.228 40.224 39.000 -0.006 0.000 1.150 35 F HN 0.089 nan 8.300 nan 0.000 0.467 36 P HA 0.210 nan 4.420 nan 0.000 0.274 36 P C -0.633 176.274 177.300 -0.656 0.000 1.256 36 P CA -0.286 62.031 63.100 -1.306 0.000 0.795 36 P CB 0.644 31.822 31.700 -0.870 0.000 1.038 37 G N -0.332 108.058 108.800 -0.683 0.000 2.390 37 G HA2 0.466 4.426 3.960 -0.000 0.000 0.270 37 G HA3 0.466 4.426 3.960 -0.000 0.000 0.270 37 G C -0.595 174.061 174.900 -0.405 0.000 1.211 37 G CA -0.409 44.447 45.100 -0.408 0.000 0.842 37 G HN 0.452 nan 8.290 nan 0.000 0.519 38 V N 1.246 120.985 119.914 -0.291 0.000 3.478 38 V HA -0.181 3.939 4.120 -0.000 0.000 0.498 38 V C -0.432 175.500 176.094 -0.270 0.000 0.682 38 V CA 0.146 62.282 62.300 -0.273 0.000 2.047 38 V CB -0.772 30.845 31.823 -0.343 0.000 2.481 38 V HN 1.085 nan 8.190 nan 0.000 0.507 39 R N 4.706 125.086 120.500 -0.200 0.000 2.387 39 R HA 0.751 5.091 4.340 -0.000 0.000 0.314 39 R C -0.653 175.558 176.300 -0.149 0.000 0.958 39 R CA -0.618 55.351 56.100 -0.219 0.000 0.846 39 R CB 1.552 31.768 30.300 -0.140 0.000 1.147 39 R HN 0.715 nan 8.270 nan 0.000 0.447 40 I N 3.551 123.984 120.570 -0.229 0.000 2.362 40 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 40 I C -0.635 175.409 176.117 -0.122 0.000 0.994 40 I CA -0.946 60.309 61.300 -0.075 0.000 1.158 40 I CB 0.895 38.853 38.000 -0.069 0.000 1.315 40 I HN 0.356 nan 8.210 nan 0.000 0.451 41 Y N 4.517 124.883 120.300 0.109 0.000 2.387 41 Y HA 0.405 4.955 4.550 -0.000 0.000 0.336 41 Y C 0.246 176.413 175.900 0.445 0.000 1.067 41 Y CA -0.444 57.779 58.100 0.204 0.000 1.114 41 Y CB 1.165 39.717 38.460 0.154 0.000 1.208 41 Y HN 0.482 nan 8.280 nan 0.000 0.458 42 H N 1.113 120.385 119.070 0.337 0.000 2.529 42 H HA 0.677 5.233 4.556 -0.000 0.000 0.348 42 H C -1.317 173.952 175.328 -0.099 0.000 1.152 42 H CA -0.338 55.757 56.048 0.077 0.000 1.202 42 H CB 2.144 31.833 29.762 -0.123 0.000 1.562 42 H HN 0.665 nan 8.280 nan 0.000 0.515 43 S N 2.315 117.375 115.700 -1.066 0.000 2.550 43 S HA 0.286 4.756 4.470 -0.000 0.000 0.270 43 S C -0.122 174.034 174.600 -0.740 0.000 1.145 43 S CA -0.749 56.854 58.200 -0.995 0.000 0.852 43 S CB 1.573 63.604 63.200 -1.948 0.000 1.119 43 S HN 0.718 nan 8.310 nan 0.000 0.465 44 K N 1.294 121.479 120.400 -0.357 0.000 2.370 44 K HA 0.189 4.509 4.320 -0.000 0.000 0.194 44 K C 0.173 176.647 176.600 -0.210 0.000 1.070 44 K CA 0.772 56.964 56.287 -0.159 0.000 0.998 44 K CB 0.143 32.593 32.500 -0.083 0.000 0.911 44 K HN 0.787 nan 8.250 nan 0.000 0.533 45 D N -0.757 119.408 120.400 -0.391 0.000 2.520 45 D HA 0.098 4.737 4.640 -0.000 0.000 0.223 45 D C 0.891 176.892 176.300 -0.498 0.000 1.186 45 D CA -0.236 53.536 54.000 -0.380 0.000 0.821 45 D CB 0.062 40.682 40.800 -0.300 0.000 1.072 45 D HN 0.004 nan 8.370 nan 0.000 0.518 46 L N -1.171 119.643 121.223 -0.681 0.000 5.174 46 L HA -0.349 3.991 4.340 -0.000 0.000 0.420 46 L C 1.685 178.445 176.870 -0.182 0.000 0.973 46 L CA 1.613 56.149 54.840 -0.507 0.000 1.381 46 L CB -1.210 40.533 42.059 -0.527 0.000 1.819 46 L HN 0.235 nan 8.230 nan 0.000 0.645 47 K N 0.600 120.820 120.400 -0.300 0.000 2.108 47 K HA 0.085 4.405 4.320 -0.000 0.000 0.204 47 K C 0.698 177.258 176.600 -0.068 0.000 1.036 47 K CA 0.566 56.796 56.287 -0.095 0.000 0.965 47 K CB 0.327 32.756 32.500 -0.119 0.000 0.804 47 K HN 0.265 nan 8.250 nan 0.000 0.454 48 N N 0.450 118.999 118.700 -0.251 0.000 2.426 48 N HA 0.110 4.850 4.740 -0.000 0.000 0.275 48 N C -1.487 173.998 175.510 -0.042 0.000 1.019 48 N CA -0.067 52.958 53.050 -0.041 0.000 0.941 48 N CB 0.869 39.281 38.487 -0.125 0.000 1.123 48 N HN 0.135 nan 8.380 nan 0.000 0.486 49 W N 1.354 122.830 121.300 0.293 0.000 2.839 49 W HA 0.400 5.060 4.660 -0.000 0.000 0.334 49 W C 0.164 176.772 176.519 0.148 0.000 1.064 49 W CA -0.966 56.480 57.345 0.168 0.000 1.236 49 W CB 1.542 30.998 29.460 -0.007 0.000 1.405 49 W HN 0.376 nan 8.180 nan 0.000 0.478 50 R N 2.016 122.615 120.500 0.164 0.000 2.686 50 R HA 0.785 5.125 4.340 -0.000 0.000 0.283 50 R C -1.481 174.825 176.300 0.011 0.000 0.978 50 R CA -1.159 54.964 56.100 0.037 0.000 0.897 50 R CB 1.566 31.616 30.300 -0.417 0.000 1.192 50 R HN 0.488 nan 8.270 nan 0.000 0.457 51 L N 3.789 124.898 121.223 -0.189 0.000 2.462 51 L HA 0.089 4.429 4.340 -0.000 0.000 0.272 51 L C 0.505 177.158 176.870 -0.363 0.000 1.166 51 L CA 0.463 54.916 54.840 -0.645 0.000 0.880 51 L CB 1.558 43.031 42.059 -0.978 0.000 1.142 51 L HN 0.803 nan 8.230 nan 0.000 0.473 52 V N 1.875 121.618 119.914 -0.286 0.000 3.539 52 V HA 0.738 4.858 4.120 -0.000 0.000 0.262 52 V C 0.465 176.471 176.094 -0.146 0.000 1.381 52 V CA 0.456 62.661 62.300 -0.158 0.000 1.060 52 V CB -0.267 31.506 31.823 -0.084 0.000 0.842 52 V HN 0.882 nan 8.190 nan 0.000 0.445 53 A N 0.561 123.260 122.820 -0.201 0.000 2.520 53 A HA 0.872 5.192 4.320 -0.000 0.000 0.298 53 A C -0.636 176.797 177.584 -0.251 0.000 1.051 53 A CA -0.801 51.136 52.037 -0.165 0.000 0.690 53 A CB 1.531 20.483 19.000 -0.079 0.000 1.281 53 A HN 0.303 nan 8.150 nan 0.000 0.402 54 R N 2.465 122.824 120.500 -0.234 0.000 2.585 54 R HA 0.305 4.644 4.340 -0.000 0.000 0.278 54 R C -2.310 173.783 176.300 -0.344 0.000 1.663 54 R CA -1.477 54.443 56.100 -0.301 0.000 1.592 54 R CB 1.290 31.431 30.300 -0.265 0.000 1.200 54 R HN 0.437 nan 8.270 nan 0.000 0.611 55 P HA -0.125 nan 4.420 nan 0.000 0.218 55 P C 0.010 176.997 177.300 -0.522 0.000 1.149 55 P CA 1.004 63.681 63.100 -0.705 0.000 0.817 55 P CB 0.342 31.112 31.700 -1.550 0.000 0.785 56 L N 0.801 121.692 121.223 -0.552 0.000 2.397 56 L HA 0.251 4.591 4.340 -0.000 0.000 0.263 56 L C 0.554 177.123 176.870 -0.500 0.000 1.136 56 L CA -0.240 54.303 54.840 -0.495 0.000 1.019 56 L CB -0.389 41.294 42.059 -0.626 0.000 1.352 56 L HN 0.031 nan 8.230 nan 0.000 0.420 57 N N 0.489 119.018 118.700 -0.284 0.000 2.159 57 N HA 0.103 4.843 4.740 -0.000 0.000 0.217 57 N C 0.182 175.799 175.510 0.179 0.000 1.223 57 N CA -0.435 52.508 53.050 -0.180 0.000 0.896 57 N CB 0.606 39.016 38.487 -0.127 0.000 1.064 57 N HN 0.308 nan 8.380 nan 0.000 0.518 58 R N 0.114 120.693 120.500 0.131 0.000 2.637 58 R HA 0.414 4.754 4.340 -0.000 0.000 0.291 58 R C 0.477 176.864 176.300 0.144 0.000 0.963 58 R CA -0.748 55.437 56.100 0.141 0.000 0.901 58 R CB 1.881 32.223 30.300 0.070 0.000 1.160 58 R HN -0.000 nan 8.270 nan 0.000 0.457 59 L N 1.107 122.387 121.223 0.096 0.000 2.187 59 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 59 L C 2.274 179.159 176.870 0.026 0.000 1.100 59 L CA 1.622 56.487 54.840 0.042 0.000 0.765 59 L CB -0.326 41.721 42.059 -0.020 0.000 0.904 59 L HN 0.752 nan 8.230 nan 0.000 0.437 60 S N -1.044 114.672 115.700 0.027 0.000 2.419 60 S HA -0.226 4.244 4.470 -0.000 0.000 0.233 60 S C 1.815 176.419 174.600 0.007 0.000 1.016 60 S CA 0.964 59.173 58.200 0.016 0.000 0.974 60 S CB -0.199 63.016 63.200 0.026 0.000 0.786 60 S HN 0.532 nan 8.310 nan 0.000 0.492 61 Q N -0.295 119.519 119.800 0.022 0.000 2.134 61 Q HA 0.398 4.738 4.340 -0.000 0.000 0.195 61 Q C -0.341 175.657 176.000 -0.004 0.000 0.958 61 Q CA 0.525 56.337 55.803 0.017 0.000 0.840 61 Q CB 0.180 28.906 28.738 -0.019 0.000 0.918 61 Q HN 0.454 nan 8.270 nan 0.000 0.467 62 L N 1.258 122.501 121.223 0.034 0.000 2.555 62 L HA 0.398 4.738 4.340 -0.000 0.000 0.264 62 L C -1.904 175.040 176.870 0.123 0.000 0.972 62 L CA -0.354 54.534 54.840 0.079 0.000 0.876 62 L CB 1.861 43.961 42.059 0.069 0.000 1.216 62 L HN -0.089 nan 8.230 nan 0.000 0.415 63 N N 5.498 124.231 118.700 0.055 0.000 2.569 63 N HA 0.443 5.183 4.740 -0.000 0.000 0.254 63 N C -0.447 175.074 175.510 0.019 0.000 1.004 63 N CA -0.220 52.838 53.050 0.014 0.000 0.904 63 N CB 1.105 39.590 38.487 -0.002 0.000 1.165 63 N HN 0.709 nan 8.380 nan 0.000 0.513 64 M N 2.993 122.590 119.600 -0.005 0.000 2.496 64 M HA 0.297 4.777 4.480 -0.000 0.000 0.330 64 M C 0.513 176.758 176.300 -0.091 0.000 1.133 64 M CA -0.388 54.905 55.300 -0.012 0.000 0.964 64 M CB 0.686 33.308 32.600 0.037 0.000 1.401 64 M HN 0.392 nan 8.290 nan 0.000 0.520 65 I N 1.357 121.865 120.570 -0.102 0.000 2.683 65 I HA 0.015 4.185 4.170 -0.000 0.000 0.286 65 I C 1.272 177.236 176.117 -0.254 0.000 1.175 65 I CA 1.357 62.568 61.300 -0.150 0.000 1.429 65 I CB 0.653 38.627 38.000 -0.043 0.000 1.371 65 I HN 0.713 nan 8.210 nan 0.000 0.569 66 G N 4.539 112.950 108.800 -0.649 0.000 2.189 66 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.267 66 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.267 66 G C 0.314 174.967 174.900 -0.411 0.000 0.975 66 G CA 0.235 44.782 45.100 -0.922 0.000 0.644 66 G HN 0.666 nan 8.290 nan 0.000 0.537 67 N N 2.138 120.689 118.700 -0.249 0.000 2.353 67 N HA 0.343 5.083 4.740 -0.000 0.000 0.248 67 N C -1.590 173.857 175.510 -0.105 0.000 1.240 67 N CA -0.325 52.656 53.050 -0.115 0.000 0.862 67 N CB 0.777 39.239 38.487 -0.043 0.000 1.086 67 N HN 0.292 nan 8.380 nan 0.000 0.453 68 P HA 0.074 nan 4.420 nan 0.000 0.274 68 P C -0.841 176.467 177.300 0.014 0.000 1.237 68 P CA -0.300 62.794 63.100 -0.009 0.000 0.793 68 P CB 0.577 32.298 31.700 0.036 0.000 0.977 69 D N 0.564 120.959 120.400 -0.008 0.000 2.533 69 D HA -0.021 4.619 4.640 -0.000 0.000 0.236 69 D C 0.742 177.070 176.300 0.047 0.000 1.137 69 D CA 0.976 54.966 54.000 -0.017 0.000 0.867 69 D CB -0.272 40.504 40.800 -0.039 0.000 1.170 69 D HN 0.308 nan 8.370 nan 0.000 0.474 70 S N -0.184 115.560 115.700 0.073 0.000 3.490 70 S HA -0.129 4.341 4.470 -0.000 0.000 0.301 70 S C 0.780 175.762 174.600 0.637 0.000 1.233 70 S CA 0.748 59.065 58.200 0.194 0.000 0.914 70 S CB -1.140 62.024 63.200 -0.060 0.000 1.047 70 S HN 0.774 nan 8.310 nan 0.000 0.602 71 G N -0.258 108.846 108.800 0.507 0.000 2.543 71 G HA2 0.740 4.700 3.960 -0.000 0.000 0.267 71 G HA3 0.740 4.700 3.960 -0.000 0.000 0.267 71 G C 0.862 176.074 174.900 0.519 0.000 1.406 71 G CA 0.305 45.727 45.100 0.536 0.000 1.048 71 G HN 1.480 nan 8.290 nan 0.000 0.548 72 G N -1.885 107.066 108.800 0.252 0.000 2.523 72 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.271 72 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.271 72 G C 0.021 175.031 174.900 0.183 0.000 1.146 72 G CA 0.203 45.418 45.100 0.192 0.000 0.961 72 G HN 1.504 nan 8.290 nan 0.000 0.549 73 V N 1.701 121.699 119.914 0.140 0.000 2.370 73 V HA 0.432 4.552 4.120 -0.000 0.000 0.257 73 V C 0.565 176.523 176.094 -0.226 0.000 1.064 73 V CA -0.060 62.264 62.300 0.040 0.000 0.975 73 V CB -0.091 31.727 31.823 -0.009 0.000 1.067 73 V HN 0.465 nan 8.190 nan 0.000 0.485 74 W N 2.220 123.229 121.300 -0.486 0.000 1.940 74 W HA 0.628 5.288 4.660 -0.000 0.000 0.516 74 W C 0.945 177.257 176.519 -0.346 0.000 2.058 74 W CA -0.980 55.952 57.345 -0.688 0.000 2.332 74 W CB 0.094 29.352 29.460 -0.335 0.000 1.870 74 W HN 0.516 nan 8.180 nan 0.000 0.766 75 A N 4.104 126.963 122.820 0.066 0.000 2.573 75 A HA 0.156 4.476 4.320 -0.000 0.000 0.250 75 A C -1.974 175.739 177.584 0.216 0.000 1.049 75 A CA -0.394 51.711 52.037 0.114 0.000 0.767 75 A CB -1.402 17.708 19.000 0.184 0.000 0.965 75 A HN 0.183 nan 8.150 nan 0.000 0.514 76 P HA 0.360 nan 4.420 nan 0.000 0.281 76 P C -1.004 176.498 177.300 0.336 0.000 1.264 76 P CA -0.194 63.043 63.100 0.229 0.000 0.824 76 P CB 1.092 32.859 31.700 0.111 0.000 1.092 77 H N 0.550 119.766 119.070 0.242 0.000 2.658 77 H HA 0.573 5.129 4.556 -0.000 0.000 0.337 77 H C -1.533 173.954 175.328 0.265 0.000 1.009 77 H CA -0.757 55.453 56.048 0.270 0.000 1.231 77 H CB 0.697 30.638 29.762 0.299 0.000 1.508 77 H HN 0.171 nan 8.280 nan 0.000 0.517 78 L N 5.090 126.180 121.223 -0.221 0.000 2.305 78 L HA 0.638 4.977 4.340 -0.000 0.000 0.284 78 L C -0.893 175.942 176.870 -0.060 0.000 1.013 78 L CA -0.054 54.777 54.840 -0.015 0.000 0.819 78 L CB 1.148 43.273 42.059 0.110 0.000 1.227 78 L HN 0.803 nan 8.230 nan 0.000 0.417 79 S N 3.464 119.306 115.700 0.236 0.000 2.661 79 S HA 0.681 5.151 4.470 -0.000 0.000 0.285 79 S C -1.307 173.608 174.600 0.526 0.000 1.138 79 S CA -0.705 57.708 58.200 0.356 0.000 0.855 79 S CB 1.503 64.967 63.200 0.440 0.000 1.136 79 S HN 0.560 nan 8.310 nan 0.000 0.484 80 Y N 0.369 120.778 120.300 0.182 0.000 2.406 80 Y HA 0.716 5.266 4.550 -0.000 0.000 0.340 80 Y C -0.542 175.277 175.900 -0.135 0.000 0.975 80 Y CA 0.017 58.121 58.100 0.006 0.000 1.056 80 Y CB 1.964 40.282 38.460 -0.237 0.000 1.210 80 Y HN 1.063 nan 8.280 nan 0.000 0.448 81 S N 3.866 119.281 115.700 -0.475 0.000 2.558 81 S HA 0.328 4.798 4.470 -0.000 0.000 0.277 81 S C -1.856 172.635 174.600 -0.182 0.000 1.143 81 S CA -0.581 57.374 58.200 -0.409 0.000 0.865 81 S CB 0.744 63.430 63.200 -0.855 0.000 1.102 81 S HN 0.826 nan 8.310 nan 0.000 0.454 82 D N 2.208 122.515 120.400 -0.156 0.000 2.689 82 D HA -0.147 4.493 4.640 -0.000 0.000 0.237 82 D C 0.953 177.155 176.300 -0.162 0.000 1.148 82 D CA 2.179 56.141 54.000 -0.063 0.000 0.656 82 D CB -1.619 39.236 40.800 0.092 0.000 1.050 82 D HN 1.632 nan 8.370 nan 0.000 0.426 83 G N -0.268 108.349 108.800 -0.304 0.000 2.189 83 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.267 83 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.267 83 G C 0.299 174.921 174.900 -0.464 0.000 0.975 83 G CA 1.312 46.247 45.100 -0.274 0.000 0.644 83 G HN 0.848 nan 8.290 nan 0.000 0.537 84 K N -1.370 118.544 120.400 -0.811 0.000 2.495 84 K HA 0.778 5.098 4.320 -0.000 0.000 0.268 84 K C -1.017 175.066 176.600 -0.861 0.000 1.008 84 K CA -1.385 54.468 56.287 -0.723 0.000 0.882 84 K CB 1.216 33.356 32.500 -0.599 0.000 1.443 84 K HN -0.041 nan 8.250 nan 0.000 0.447 85 F N 0.897 120.622 119.950 -0.376 0.000 2.394 85 F HA 0.377 4.904 4.527 -0.000 0.000 0.340 85 F C -0.706 175.028 175.800 -0.109 0.000 1.105 85 F CA 0.070 58.037 58.000 -0.055 0.000 1.124 85 F CB 0.847 39.821 39.000 -0.044 0.000 1.145 85 F HN 0.383 nan 8.300 nan 0.000 0.505 86 W N 5.782 127.310 121.300 0.381 0.000 2.471 86 W HA 0.603 5.263 4.660 -0.000 0.000 0.318 86 W C -1.312 175.448 176.519 0.402 0.000 1.034 86 W CA -0.818 56.746 57.345 0.365 0.000 1.224 86 W CB 1.233 30.872 29.460 0.299 0.000 1.335 86 W HN 0.151 nan 8.180 nan 0.000 0.452 87 L N 5.977 127.549 121.223 0.583 0.000 2.319 87 L HA 0.593 4.933 4.340 -0.000 0.000 0.281 87 L C -0.954 176.134 176.870 0.363 0.000 1.005 87 L CA -0.776 54.275 54.840 0.353 0.000 0.828 87 L CB 0.405 42.471 42.059 0.011 0.000 1.227 87 L HN 0.204 nan 8.230 nan 0.000 0.415 88 I N 6.187 126.965 120.570 0.348 0.000 2.385 88 I HA 0.422 4.592 4.170 -0.000 0.000 0.294 88 I C -0.293 176.020 176.117 0.326 0.000 0.988 88 I CA -0.465 61.005 61.300 0.283 0.000 1.265 88 I CB 0.702 38.850 38.000 0.247 0.000 1.388 88 I HN 0.739 nan 8.210 nan 0.000 0.480 89 Y N 2.302 122.689 120.300 0.145 0.000 2.655 89 Y HA 0.755 5.305 4.550 -0.000 0.000 0.336 89 Y C -0.358 175.645 175.900 0.171 0.000 1.154 89 Y CA -1.203 56.974 58.100 0.129 0.000 1.055 89 Y CB 1.164 39.663 38.460 0.066 0.000 1.295 89 Y HN 0.600 nan 8.280 nan 0.000 0.465 90 T N -1.008 113.711 114.554 0.275 0.000 2.940 90 T HA 0.487 4.837 4.350 -0.000 0.000 0.288 90 T C -1.428 173.443 174.700 0.286 0.000 1.033 90 T CA -0.586 61.606 62.100 0.154 0.000 1.033 90 T CB 1.767 70.637 68.868 0.004 0.000 1.079 90 T HN 0.733 nan 8.240 nan 0.000 0.496 91 D N 1.697 122.238 120.400 0.234 0.000 2.420 91 D HA 0.348 4.988 4.640 -0.000 0.000 0.255 91 D C -0.738 175.531 176.300 -0.052 0.000 1.185 91 D CA -0.528 53.577 54.000 0.175 0.000 0.904 91 D CB 0.954 41.944 40.800 0.315 0.000 1.102 91 D HN 0.445 nan 8.370 nan 0.000 0.534 92 V N 5.482 125.264 119.914 -0.220 0.000 2.455 92 V HA 0.157 4.277 4.120 -0.000 0.000 0.273 92 V C 1.427 177.405 176.094 -0.194 0.000 1.045 92 V CA -0.119 61.930 62.300 -0.419 0.000 0.976 92 V CB 1.397 32.610 31.823 -1.017 0.000 0.993 92 V HN 0.401 nan 8.190 nan 0.000 0.475 93 K N 3.346 123.622 120.400 -0.206 0.000 2.308 93 K HA 0.255 4.574 4.320 -0.000 0.000 0.197 93 K C -0.023 176.534 176.600 -0.071 0.000 1.049 93 K CA 0.590 56.816 56.287 -0.102 0.000 0.991 93 K CB 0.930 33.373 32.500 -0.095 0.000 0.836 93 K HN 0.458 nan 8.250 nan 0.000 0.500 94 V N 1.867 121.715 119.914 -0.110 0.000 2.531 94 V HA 0.171 4.291 4.120 -0.000 0.000 0.301 94 V C 0.482 176.559 176.094 -0.028 0.000 1.034 94 V CA -0.603 61.673 62.300 -0.041 0.000 0.865 94 V CB 2.019 33.825 31.823 -0.028 0.000 0.995 94 V HN 0.012 nan 8.190 nan 0.000 0.424 95 V N 0.726 120.687 119.914 0.079 0.000 3.398 95 V HA 0.544 4.664 4.120 -0.000 0.000 0.298 95 V C 0.212 176.413 176.094 0.179 0.000 1.496 95 V CA 0.184 62.596 62.300 0.187 0.000 1.044 95 V CB 0.127 32.140 31.823 0.317 0.000 0.880 95 V HN 0.787 nan 8.190 nan 0.000 0.443 96 E N 0.399 120.684 120.200 0.141 0.000 2.340 96 E HA 0.687 5.037 4.350 -0.000 0.000 0.273 96 E C 0.107 176.816 176.600 0.182 0.000 0.891 96 E CA -0.202 56.289 56.400 0.151 0.000 0.757 96 E CB 2.282 32.050 29.700 0.114 0.000 1.231 96 E HN 0.599 nan 8.360 nan 0.000 0.439 97 G N 1.163 110.081 108.800 0.198 0.000 2.500 97 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.209 97 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.209 97 G C 0.254 175.293 174.900 0.233 0.000 1.283 97 G CA -0.570 44.663 45.100 0.221 0.000 0.960 97 G HN 0.420 nan 8.290 nan 0.000 0.528 98 Q N -0.841 119.043 119.800 0.140 0.000 2.297 98 Q HA 0.041 4.380 4.340 -0.000 0.000 0.204 98 Q C 0.766 176.784 176.000 0.031 0.000 0.962 98 Q CA 1.116 56.853 55.803 -0.109 0.000 0.879 98 Q CB 0.204 28.546 28.738 -0.661 0.000 0.947 98 Q HN 0.522 nan 8.270 nan 0.000 0.462 99 W N 0.296 121.799 121.300 0.339 0.000 2.578 99 W HA 0.357 5.017 4.660 -0.000 0.000 0.353 99 W C 0.524 176.907 176.519 -0.226 0.000 1.088 99 W CA -0.794 56.661 57.345 0.184 0.000 1.235 99 W CB 1.025 30.514 29.460 0.048 0.000 1.362 99 W HN -0.229 nan 8.180 nan 0.000 0.592 100 K N 1.395 121.491 120.400 -0.506 0.000 3.278 100 K HA 0.118 4.438 4.320 -0.000 0.000 0.200 100 K C -0.862 175.430 176.600 -0.513 0.000 1.107 100 K CA -0.125 55.736 56.287 -0.709 0.000 0.923 100 K CB -0.424 31.234 32.500 -1.403 0.000 0.787 100 K HN 0.121 nan 8.250 nan 0.000 0.481 101 D N 0.906 121.132 120.400 -0.291 0.000 2.520 101 D HA 0.274 4.914 4.640 -0.000 0.000 0.243 101 D C 0.408 176.449 176.300 -0.432 0.000 1.160 101 D CA 0.925 54.747 54.000 -0.297 0.000 0.877 101 D CB 1.042 41.721 40.800 -0.203 0.000 1.150 101 D HN 0.480 nan 8.370 nan 0.000 0.494 102 G N 1.563 110.023 108.800 -0.566 0.000 2.632 102 G HA2 0.397 4.357 3.960 -0.000 0.000 0.292 102 G HA3 0.397 4.357 3.960 -0.000 0.000 0.292 102 G C -1.633 172.862 174.900 -0.675 0.000 1.465 102 G CA -0.802 43.905 45.100 -0.655 0.000 0.824 102 G HN 0.414 nan 8.290 nan 0.000 0.509 103 H N 0.790 119.789 119.070 -0.120 0.000 2.572 103 H HA 0.465 5.020 4.556 -0.000 0.000 0.359 103 H C -0.570 174.489 175.328 -0.449 0.000 1.134 103 H CA -0.838 55.075 56.048 -0.224 0.000 1.187 103 H CB 2.076 31.759 29.762 -0.132 0.000 1.597 103 H HN 0.359 nan 8.280 nan 0.000 0.524 104 N N 2.133 120.547 118.700 -0.477 0.000 2.456 104 N HA 0.247 4.987 4.740 -0.000 0.000 0.288 104 N C -0.830 174.207 175.510 -0.787 0.000 1.059 104 N CA -0.209 52.544 53.050 -0.495 0.000 0.946 104 N CB 1.361 39.660 38.487 -0.314 0.000 1.150 104 N HN 0.457 nan 8.380 nan 0.000 0.479 105 Y N 0.125 120.165 120.300 -0.434 0.000 2.545 105 Y HA 0.507 5.057 4.550 -0.000 0.000 0.348 105 Y C -0.294 175.378 175.900 -0.381 0.000 1.002 105 Y CA -1.229 56.596 58.100 -0.457 0.000 1.039 105 Y CB 1.765 39.821 38.460 -0.674 0.000 1.271 105 Y HN 0.298 nan 8.280 nan 0.000 0.467 106 L N 4.019 125.259 121.223 0.028 0.000 2.341 106 L HA 0.911 5.250 4.340 -0.000 0.000 0.278 106 L C -1.137 175.878 176.870 0.242 0.000 1.005 106 L CA -0.787 54.127 54.840 0.122 0.000 0.818 106 L CB 1.462 43.542 42.059 0.035 0.000 1.259 106 L HN 0.478 nan 8.230 nan 0.000 0.418 107 V N 1.171 121.292 119.914 0.344 0.000 2.914 107 V HA 0.969 5.089 4.120 -0.000 0.000 0.314 107 V C -0.235 176.110 176.094 0.417 0.000 1.084 107 V CA 0.160 62.680 62.300 0.366 0.000 0.963 107 V CB 1.537 33.607 31.823 0.411 0.000 1.025 107 V HN 0.991 nan 8.190 nan 0.000 0.432 108 T N -0.382 114.331 114.554 0.266 0.000 2.916 108 T HA 0.812 5.162 4.350 -0.000 0.000 0.292 108 T C -0.729 173.833 174.700 -0.230 0.000 1.064 108 T CA -0.639 61.450 62.100 -0.019 0.000 1.011 108 T CB 1.620 70.243 68.868 -0.410 0.000 1.152 108 T HN 1.621 nan 8.240 nan 0.000 0.510 109 C N 1.146 120.073 119.300 -0.622 0.000 3.181 109 C HA 0.455 4.915 4.460 -0.000 0.000 0.362 109 C C 0.434 175.123 174.990 -0.502 0.000 1.125 109 C CA -0.505 58.040 59.018 -0.789 0.000 1.265 109 C CB 0.988 27.683 27.740 -1.742 0.000 1.632 109 C HN 1.033 nan 8.230 nan 0.000 0.525 110 D N 1.206 121.404 120.400 -0.338 0.000 2.219 110 D HA 0.055 4.694 4.640 -0.000 0.000 0.205 110 D C 0.927 177.206 176.300 -0.035 0.000 0.970 110 D CA 1.536 55.425 54.000 -0.185 0.000 0.851 110 D CB 0.275 40.985 40.800 -0.150 0.000 0.943 110 D HN 0.657 nan 8.370 nan 0.000 0.488 111 T N -0.959 113.530 114.554 -0.108 0.000 2.924 111 T HA 0.291 4.641 4.350 -0.000 0.000 0.291 111 T C 0.930 175.487 174.700 -0.239 0.000 1.045 111 T CA -0.795 61.297 62.100 -0.013 0.000 1.015 111 T CB 1.513 70.338 68.868 -0.072 0.000 1.103 111 T HN -0.270 nan 8.240 nan 0.000 0.496 112 I N 2.069 122.448 120.570 -0.320 0.000 2.286 112 I HA -0.038 4.132 4.170 -0.000 0.000 0.248 112 I C 1.038 177.064 176.117 -0.151 0.000 1.115 112 I CA 1.765 62.687 61.300 -0.631 0.000 1.392 112 I CB 0.014 37.502 38.000 -0.852 0.000 1.065 112 I HN 0.782 nan 8.210 nan 0.000 0.418 113 D N -0.949 119.382 120.400 -0.116 0.000 2.643 113 D HA 0.285 4.925 4.640 -0.000 0.000 0.244 113 D C 0.601 176.885 176.300 -0.026 0.000 1.257 113 D CA -0.122 53.870 54.000 -0.014 0.000 0.831 113 D CB -0.595 40.178 40.800 -0.046 0.000 1.043 113 D HN 0.222 nan 8.370 nan 0.000 0.488 114 G N -0.421 108.305 108.800 -0.123 0.000 2.557 114 G HA2 0.543 4.503 3.960 -0.000 0.000 0.302 114 G HA3 0.543 4.503 3.960 -0.000 0.000 0.302 114 G C -0.404 174.462 174.900 -0.056 0.000 1.311 114 G CA -0.932 44.087 45.100 -0.134 0.000 1.030 114 G HN 0.294 nan 8.290 nan 0.000 0.509 115 A N -0.448 122.345 122.820 -0.045 0.000 2.444 115 A HA 0.427 4.747 4.320 -0.000 0.000 0.287 115 A C -0.426 177.161 177.584 0.005 0.000 1.195 115 A CA -0.379 51.676 52.037 0.031 0.000 0.858 115 A CB -0.563 18.443 19.000 0.009 0.000 1.117 115 A HN 0.436 nan 8.150 nan 0.000 0.521 116 W N 2.360 123.624 121.300 -0.059 0.000 2.137 116 W HA 0.344 5.004 4.660 -0.000 0.000 0.344 116 W C 1.315 177.816 176.519 -0.030 0.000 1.286 116 W CA 0.614 57.928 57.345 -0.052 0.000 1.240 116 W CB 0.501 29.924 29.460 -0.062 0.000 1.141 116 W HN 0.853 nan 8.180 nan 0.000 0.579 117 S N 0.747 116.558 115.700 0.185 0.000 2.612 117 S HA 0.048 4.518 4.470 -0.000 0.000 0.253 117 S C -0.200 174.487 174.600 0.146 0.000 1.346 117 S CA -0.611 57.659 58.200 0.116 0.000 0.976 117 S CB 0.423 63.670 63.200 0.077 0.000 0.949 117 S HN 0.400 nan 8.310 nan 0.000 0.584 118 D N 2.070 122.536 120.400 0.110 0.000 2.313 118 D HA 0.435 5.075 4.640 -0.000 0.000 0.247 118 D C -2.163 174.224 176.300 0.145 0.000 1.094 118 D CA -1.282 52.785 54.000 0.110 0.000 0.925 118 D CB 0.459 41.307 40.800 0.080 0.000 1.188 118 D HN 0.393 nan 8.370 nan 0.000 0.430 119 P HA 0.112 nan 4.420 nan 0.000 0.271 119 P C -0.479 176.957 177.300 0.226 0.000 1.216 119 P CA -0.309 62.913 63.100 0.203 0.000 0.771 119 P CB 0.681 32.458 31.700 0.129 0.000 0.864 120 I N 4.119 124.833 120.570 0.239 0.000 2.301 120 I HA 0.122 4.292 4.170 -0.000 0.000 0.292 120 I C 0.590 176.866 176.117 0.265 0.000 1.046 120 I CA -1.140 60.310 61.300 0.250 0.000 1.282 120 I CB -0.606 37.547 38.000 0.255 0.000 1.409 120 I HN 0.420 nan 8.210 nan 0.000 0.484 121 Y N 7.118 127.523 120.300 0.175 0.000 2.610 121 Y HA 0.062 4.612 4.550 -0.000 0.000 0.332 121 Y C 0.372 176.270 175.900 -0.003 0.000 1.201 121 Y CA 0.642 58.767 58.100 0.041 0.000 1.465 121 Y CB 0.828 39.299 38.460 0.018 0.000 1.283 121 Y HN 0.548 nan 8.280 nan 0.000 0.563 122 L N 3.508 124.202 121.223 -0.881 0.000 2.670 122 L HA 0.255 4.595 4.340 -0.000 0.000 0.177 122 L C -0.208 176.218 176.870 -0.741 0.000 1.181 122 L CA 0.092 54.585 54.840 -0.579 0.000 0.856 122 L CB -0.101 41.737 42.059 -0.369 0.000 1.205 122 L HN 0.751 nan 8.230 nan 0.000 0.506 123 N N -2.972 115.218 118.700 -0.850 0.000 3.106 123 N HA 0.165 4.904 4.740 -0.000 0.000 0.253 123 N C -0.700 174.618 175.510 -0.320 0.000 1.506 123 N CA -0.524 52.235 53.050 -0.486 0.000 0.876 123 N CB 1.449 39.824 38.487 -0.188 0.000 1.452 123 N HN -0.208 nan 8.380 nan 0.000 0.542 124 S N -1.095 114.573 115.700 -0.053 0.000 2.780 124 S HA 0.083 4.553 4.470 -0.000 0.000 0.248 124 S C 0.779 175.319 174.600 -0.100 0.000 1.036 124 S CA 0.116 58.328 58.200 0.021 0.000 1.061 124 S CB -0.308 63.052 63.200 0.266 0.000 1.037 124 S HN 0.704 nan 8.310 nan 0.000 0.584 125 S N 1.414 117.030 115.700 -0.141 0.000 2.603 125 S HA 0.434 4.904 4.470 -0.000 0.000 0.229 125 S C 0.900 175.307 174.600 -0.321 0.000 0.972 125 S CA 0.387 58.420 58.200 -0.278 0.000 0.935 125 S CB -0.020 63.015 63.200 -0.275 0.000 0.769 125 S HN 0.640 nan 8.310 nan 0.000 0.536 126 G N 0.544 109.201 108.800 -0.239 0.000 2.352 126 G HA2 0.356 4.316 3.960 -0.000 0.000 0.305 126 G HA3 0.356 4.316 3.960 -0.000 0.000 0.305 126 G C -0.658 174.091 174.900 -0.252 0.000 1.537 126 G CA -0.709 44.211 45.100 -0.300 0.000 0.959 126 G HN 0.430 nan 8.290 nan 0.000 0.668 127 F N -0.329 119.544 119.950 -0.129 0.000 2.284 127 F HA 0.732 5.258 4.527 -0.000 0.000 0.297 127 F C 0.720 176.564 175.800 0.074 0.000 1.215 127 F CA -0.137 57.813 58.000 -0.083 0.000 1.120 127 F CB 0.295 39.196 39.000 -0.165 0.000 1.426 127 F HN 0.465 nan 8.300 nan 0.000 0.514 128 D N -0.839 119.822 120.400 0.436 0.000 2.716 128 D HA -0.113 4.527 4.640 -0.000 0.000 0.239 128 D C -2.532 173.852 176.300 0.140 0.000 1.125 128 D CA 0.415 54.619 54.000 0.339 0.000 0.681 128 D CB -1.699 39.329 40.800 0.380 0.000 1.070 128 D HN 0.404 nan 8.370 nan 0.000 0.432 129 P HA 0.217 nan 4.420 nan 0.000 0.271 129 P C -0.305 177.035 177.300 0.066 0.000 1.216 129 P CA 0.071 63.198 63.100 0.045 0.000 0.776 129 P CB 1.586 33.298 31.700 0.020 0.000 0.881 130 S N 2.304 117.976 115.700 -0.046 0.000 2.572 130 S HA 0.448 4.918 4.470 -0.000 0.000 0.274 130 S C -1.349 173.127 174.600 -0.206 0.000 1.150 130 S CA -0.668 57.372 58.200 -0.267 0.000 0.944 130 S CB 0.509 63.518 63.200 -0.318 0.000 1.071 130 S HN 0.320 nan 8.310 nan 0.000 0.479 131 L N 5.590 126.750 121.223 -0.106 0.000 2.264 131 L HA 0.708 5.048 4.340 -0.000 0.000 0.289 131 L C -1.040 175.789 176.870 -0.069 0.000 1.044 131 L CA -0.313 54.490 54.840 -0.062 0.000 0.807 131 L CB 0.718 42.738 42.059 -0.064 0.000 1.192 131 L HN 0.660 nan 8.230 nan 0.000 0.425 132 F N 4.927 124.720 119.950 -0.262 0.000 2.436 132 F HA 0.486 5.013 4.527 -0.000 0.000 0.340 132 F C -0.535 175.114 175.800 -0.252 0.000 1.113 132 F CA -0.377 57.529 58.000 -0.155 0.000 1.022 132 F CB 0.753 39.740 39.000 -0.021 0.000 1.128 132 F HN 0.496 nan 8.300 nan 0.000 0.466 133 H N 4.778 123.402 119.070 -0.743 0.000 2.673 133 H HA 0.176 4.732 4.556 -0.000 0.000 0.293 133 H C -0.703 174.103 175.328 -0.870 0.000 1.065 133 H CA -0.739 54.920 56.048 -0.648 0.000 1.236 133 H CB 0.888 30.424 29.762 -0.377 0.000 1.389 133 H HN 0.578 nan 8.280 nan 0.000 0.481 134 D N 2.033 122.047 120.400 -0.643 0.000 2.362 134 D HA -0.027 4.613 4.640 -0.000 0.000 0.242 134 D C 1.260 177.542 176.300 -0.030 0.000 1.132 134 D CA -0.115 53.740 54.000 -0.242 0.000 0.907 134 D CB 1.225 42.195 40.800 0.283 0.000 1.195 134 D HN 0.503 nan 8.370 nan 0.000 0.429 135 E N 1.302 121.545 120.200 0.073 0.000 2.118 135 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 135 E C 0.660 177.296 176.600 0.060 0.000 0.992 135 E CA 1.102 57.542 56.400 0.067 0.000 0.804 135 E CB -0.196 29.554 29.700 0.084 0.000 0.741 135 E HN 0.562 nan 8.360 nan 0.000 0.458 136 D N -0.419 120.034 120.400 0.089 0.000 2.344 136 D HA 0.148 4.787 4.640 -0.000 0.000 0.242 136 D C 1.060 177.388 176.300 0.047 0.000 1.159 136 D CA 0.549 54.594 54.000 0.075 0.000 0.859 136 D CB -0.052 40.811 40.800 0.105 0.000 0.925 136 D HN 0.197 nan 8.370 nan 0.000 0.510 137 G N 0.084 108.895 108.800 0.019 0.000 2.155 137 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.257 137 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.257 137 G C 0.295 175.163 174.900 -0.054 0.000 0.983 137 G CA -0.067 45.024 45.100 -0.015 0.000 0.676 137 G HN 0.450 nan 8.290 nan 0.000 0.528 138 R N -0.020 120.441 120.500 -0.065 0.000 2.536 138 R HA 0.598 4.938 4.340 -0.000 0.000 0.279 138 R C -0.027 176.038 176.300 -0.392 0.000 1.001 138 R CA -0.412 55.559 56.100 -0.215 0.000 1.027 138 R CB 0.959 31.137 30.300 -0.202 0.000 1.096 138 R HN 0.197 nan 8.270 nan 0.000 0.502 139 K N 2.377 122.438 120.400 -0.566 0.000 2.345 139 K HA 0.374 4.694 4.320 -0.000 0.000 0.255 139 K C -1.421 174.851 176.600 -0.547 0.000 0.934 139 K CA -0.606 55.386 56.287 -0.492 0.000 0.801 139 K CB 1.902 34.208 32.500 -0.322 0.000 1.137 139 K HN 0.434 nan 8.250 nan 0.000 0.424 140 Y N 1.420 121.703 120.300 -0.029 0.000 2.406 140 Y HA 0.350 4.900 4.550 -0.000 0.000 0.340 140 Y C -0.558 175.344 175.900 0.002 0.000 0.975 140 Y CA -1.145 56.979 58.100 0.040 0.000 1.056 140 Y CB 1.515 40.028 38.460 0.088 0.000 1.210 140 Y HN 0.378 nan 8.280 nan 0.000 0.448 141 L N 5.358 126.663 121.223 0.138 0.000 2.265 141 L HA 0.691 5.030 4.340 -0.000 0.000 0.288 141 L C -0.488 176.400 176.870 0.029 0.000 1.058 141 L CA -0.569 54.297 54.840 0.042 0.000 0.809 141 L CB 0.656 42.719 42.059 0.007 0.000 1.179 141 L HN 0.507 nan 8.230 nan 0.000 0.429 142 V N 3.666 123.568 119.914 -0.021 0.000 2.630 142 V HA 0.798 4.918 4.120 -0.000 0.000 0.305 142 V C -0.569 175.495 176.094 -0.048 0.000 1.046 142 V CA -0.540 61.730 62.300 -0.050 0.000 0.934 142 V CB 1.624 33.379 31.823 -0.113 0.000 1.003 142 V HN 0.994 nan 8.190 nan 0.000 0.451 143 N N 2.393 121.076 118.700 -0.028 0.000 3.227 143 N HA 0.374 5.114 4.740 -0.000 0.000 0.241 143 N C -0.950 174.552 175.510 -0.013 0.000 1.480 143 N CA -0.819 52.212 53.050 -0.032 0.000 0.886 143 N CB 1.924 40.385 38.487 -0.043 0.000 1.406 143 N HN 0.915 nan 8.380 nan 0.000 0.514 144 M N -0.597 118.959 119.600 -0.074 0.000 2.242 144 M HA 0.448 4.928 4.480 -0.000 0.000 0.344 144 M C -1.083 175.198 176.300 -0.032 0.000 1.140 144 M CA -0.067 55.197 55.300 -0.059 0.000 1.160 144 M CB 0.243 32.736 32.600 -0.179 0.000 1.491 144 M HN 0.503 nan 8.290 nan 0.000 0.459 145 Y N 3.523 123.807 120.300 -0.027 0.000 2.335 145 Y HA 0.377 4.927 4.550 -0.000 0.000 0.339 145 Y C -1.306 174.592 175.900 -0.003 0.000 0.987 145 Y CA -0.368 57.739 58.100 0.012 0.000 1.140 145 Y CB 0.829 39.352 38.460 0.105 0.000 1.173 145 Y HN 0.818 nan 8.280 nan 0.000 0.486 146 W N 8.213 129.235 121.300 -0.463 0.000 2.335 146 W HA 0.240 4.899 4.660 -0.000 0.000 0.307 146 W C -1.191 175.182 176.519 -0.243 0.000 1.117 146 W CA -0.553 56.574 57.345 -0.364 0.000 1.228 146 W CB 1.283 30.531 29.460 -0.354 0.000 1.240 146 W HN 0.546 nan 8.180 nan 0.000 0.468 147 D N 5.251 125.177 120.400 -0.790 0.000 2.427 147 D HA 0.004 4.643 4.640 -0.000 0.000 0.226 147 D C 1.350 177.143 176.300 -0.845 0.000 1.076 147 D CA -0.130 53.514 54.000 -0.594 0.000 0.849 147 D CB 0.648 41.242 40.800 -0.342 0.000 1.052 147 D HN 0.551 nan 8.370 nan 0.000 0.515 148 H N 2.750 121.458 119.070 -0.603 0.000 2.548 148 H HA 0.153 4.709 4.556 -0.000 0.000 0.268 148 H C 0.053 175.094 175.328 -0.478 0.000 0.975 148 H CA -0.059 55.636 56.048 -0.588 0.000 1.195 148 H CB 0.084 29.430 29.762 -0.692 0.000 1.397 148 H HN 0.137 nan 8.280 nan 0.000 0.572 149 R N 0.779 120.745 120.500 -0.890 0.000 2.590 149 R HA 0.060 4.400 4.340 -0.000 0.000 0.274 149 R C 1.471 177.635 176.300 -0.228 0.000 1.061 149 R CA 0.161 55.901 56.100 -0.600 0.000 1.081 149 R CB 1.037 31.041 30.300 -0.494 0.000 0.984 149 R HN -0.056 nan 8.270 nan 0.000 0.448 150 V N 1.410 121.241 119.914 -0.139 0.000 2.282 150 V HA -0.272 3.847 4.120 -0.000 0.000 0.249 150 V C 1.390 177.465 176.094 -0.030 0.000 1.057 150 V CA 2.061 64.321 62.300 -0.067 0.000 1.032 150 V CB -0.312 31.492 31.823 -0.031 0.000 0.645 150 V HN 0.790 nan 8.190 nan 0.000 0.447 151 D N -1.789 118.613 120.400 0.004 0.000 2.336 151 D HA 0.079 4.718 4.640 -0.000 0.000 0.228 151 D C 0.014 176.165 176.300 -0.248 0.000 1.120 151 D CA 0.111 54.048 54.000 -0.105 0.000 0.839 151 D CB -0.160 40.554 40.800 -0.144 0.000 0.932 151 D HN 0.574 nan 8.370 nan 0.000 0.509 152 H N -1.369 117.649 119.070 -0.087 0.000 2.637 152 H HA 0.225 4.781 4.556 -0.000 0.000 0.363 152 H C -0.470 174.826 175.328 -0.052 0.000 1.131 152 H CA -0.777 55.234 56.048 -0.062 0.000 1.183 152 H CB 1.087 30.790 29.762 -0.098 0.000 1.637 152 H HN -0.037 nan 8.280 nan 0.000 0.531 153 H N 4.167 123.255 119.070 0.031 0.000 3.004 153 H HA 0.058 4.614 4.556 -0.000 0.000 0.316 153 H C -1.707 173.603 175.328 -0.029 0.000 1.014 153 H CA -1.727 54.332 56.048 0.018 0.000 1.454 153 H CB 0.930 30.712 29.762 0.032 0.000 1.472 153 H HN 0.493 nan 8.280 nan 0.000 0.571 154 P HA -0.095 nan 4.420 nan 0.000 0.225 154 P C -0.463 176.315 177.300 -0.871 0.000 1.148 154 P CA 1.091 63.615 63.100 -0.959 0.000 0.779 154 P CB 0.126 31.060 31.700 -1.277 0.000 0.780 155 F N -1.448 118.149 119.950 -0.588 0.000 2.425 155 F HA 0.199 4.725 4.527 -0.000 0.000 0.354 155 F C 1.473 177.315 175.800 0.070 0.000 1.162 155 F CA -0.735 57.181 58.000 -0.140 0.000 1.250 155 F CB -0.182 38.820 39.000 0.003 0.000 1.579 155 F HN -0.149 nan 8.300 nan 0.000 0.589 156 Y N 2.007 122.318 120.300 0.019 0.000 2.333 156 Y HA 0.169 4.719 4.550 -0.000 0.000 0.290 156 Y C 1.419 177.359 175.900 0.068 0.000 1.144 156 Y CA 1.150 59.286 58.100 0.060 0.000 1.228 156 Y CB -0.174 38.352 38.460 0.111 0.000 0.985 156 Y HN 0.555 nan 8.280 nan 0.000 0.542 157 G N -0.616 108.293 108.800 0.182 0.000 2.293 157 G HA2 0.011 3.971 3.960 -0.000 0.000 0.282 157 G HA3 0.011 3.971 3.960 -0.000 0.000 0.282 157 G C -1.722 173.275 174.900 0.161 0.000 1.299 157 G CA -0.547 44.606 45.100 0.088 0.000 1.018 157 G HN -0.054 nan 8.290 nan 0.000 0.478 158 I N 1.129 121.779 120.570 0.135 0.000 2.304 158 I HA 0.507 4.677 4.170 -0.000 0.000 0.291 158 I C 0.829 177.004 176.117 0.096 0.000 1.018 158 I CA -0.885 60.483 61.300 0.113 0.000 1.260 158 I CB 0.553 38.601 38.000 0.079 0.000 1.390 158 I HN 0.489 nan 8.210 nan 0.000 0.475 159 V N 8.230 128.217 119.914 0.122 0.000 2.607 159 V HA 0.473 4.593 4.120 -0.000 0.000 0.289 159 V C -0.597 175.530 176.094 0.054 0.000 1.053 159 V CA -0.469 61.896 62.300 0.108 0.000 0.996 159 V CB 1.968 33.929 31.823 0.230 0.000 0.995 159 V HN 0.579 nan 8.190 nan 0.000 0.476 160 L N 5.990 127.236 121.223 0.038 0.000 2.386 160 L HA 0.688 5.028 4.340 -0.000 0.000 0.271 160 L C -0.747 176.172 176.870 0.083 0.000 0.993 160 L CA 0.124 54.961 54.840 -0.005 0.000 0.819 160 L CB 1.803 43.759 42.059 -0.171 0.000 1.294 160 L HN 0.832 nan 8.230 nan 0.000 0.414 161 Q N 2.593 122.466 119.800 0.121 0.000 2.352 161 Q HA 0.260 4.600 4.340 -0.000 0.000 0.270 161 Q C -1.484 174.661 176.000 0.243 0.000 1.006 161 Q CA -0.610 55.307 55.803 0.190 0.000 0.880 161 Q CB 1.986 30.810 28.738 0.144 0.000 1.392 161 Q HN 0.788 nan 8.270 nan 0.000 0.401 162 E N 2.337 122.713 120.200 0.293 0.000 2.414 162 E HA -0.007 4.343 4.350 -0.000 0.000 0.263 162 E C -1.582 175.061 176.600 0.072 0.000 1.000 162 E CA 0.028 56.502 56.400 0.124 0.000 0.914 162 E CB 0.582 30.310 29.700 0.047 0.000 0.948 162 E HN 0.460 nan 8.360 nan 0.000 0.444 163 Y N 3.339 123.563 120.300 -0.127 0.000 2.341 163 Y HA 0.257 4.807 4.550 -0.000 0.000 0.337 163 Y C -0.576 175.262 175.900 -0.103 0.000 1.014 163 Y CA -0.729 57.319 58.100 -0.088 0.000 1.111 163 Y CB 1.604 40.015 38.460 -0.082 0.000 1.194 163 Y HN 0.407 nan 8.280 nan 0.000 0.462 164 S N 5.338 120.624 115.700 -0.691 0.000 2.430 164 S HA 0.269 4.738 4.470 -0.000 0.000 0.289 164 S C 0.594 174.755 174.600 -0.732 0.000 1.143 164 S CA -0.611 57.272 58.200 -0.529 0.000 1.067 164 S CB 0.529 63.545 63.200 -0.307 0.000 0.964 164 S HN 0.726 nan 8.310 nan 0.000 0.485 165 V N 5.111 124.824 119.914 -0.335 0.000 2.295 165 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 165 V C 2.568 178.642 176.094 -0.034 0.000 1.049 165 V CA 2.323 64.596 62.300 -0.045 0.000 1.024 165 V CB -0.931 30.985 31.823 0.155 0.000 0.648 165 V HN 0.942 nan 8.190 nan 0.000 0.447 166 E N 0.402 120.567 120.200 -0.059 0.000 2.077 166 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 166 E C 2.157 178.730 176.600 -0.045 0.000 0.989 166 E CA 1.645 58.026 56.400 -0.031 0.000 0.800 166 E CB -0.202 29.480 29.700 -0.031 0.000 0.746 166 E HN 0.678 nan 8.360 nan 0.000 0.452 167 Q N -0.219 119.519 119.800 -0.103 0.000 2.425 167 Q HA 0.055 4.394 4.340 -0.000 0.000 0.204 167 Q C -0.308 175.654 176.000 -0.063 0.000 0.933 167 Q CA 0.295 56.050 55.803 -0.080 0.000 0.939 167 Q CB 0.437 29.119 28.738 -0.093 0.000 1.044 167 Q HN 0.090 nan 8.270 nan 0.000 0.513 168 K N 1.226 121.572 120.400 -0.089 0.000 3.150 168 K HA -0.198 4.122 4.320 -0.000 0.000 0.267 168 K C -0.526 176.131 176.600 0.096 0.000 1.028 168 K CA 1.189 57.514 56.287 0.064 0.000 0.753 168 K CB -1.950 30.627 32.500 0.129 0.000 1.288 168 K HN 0.547 nan 8.250 nan 0.000 0.473 169 K N -1.797 118.534 120.400 -0.115 0.000 2.711 169 K HA 0.432 4.752 4.320 -0.000 0.000 0.294 169 K C -0.895 175.673 176.600 -0.054 0.000 1.037 169 K CA -1.162 55.149 56.287 0.040 0.000 0.858 169 K CB 0.859 33.385 32.500 0.043 0.000 1.521 169 K HN -0.037 nan 8.250 nan 0.000 0.386 170 L N 1.808 123.091 121.223 0.099 0.000 2.395 170 L HA 0.504 4.844 4.340 -0.000 0.000 0.269 170 L C 0.111 176.997 176.870 0.028 0.000 1.133 170 L CA -0.759 54.134 54.840 0.090 0.000 0.812 170 L CB 1.400 43.525 42.059 0.109 0.000 1.125 170 L HN 0.567 nan 8.230 nan 0.000 0.452 171 V N -0.478 119.449 119.914 0.022 0.000 3.102 171 V HA 1.034 5.154 4.120 -0.000 0.000 0.312 171 V C 0.242 176.369 176.094 0.055 0.000 1.135 171 V CA 0.058 62.369 62.300 0.019 0.000 1.022 171 V CB 1.090 32.901 31.823 -0.020 0.000 1.056 171 V HN 1.019 nan 8.190 nan 0.000 0.436 172 G N 0.983 109.812 108.800 0.048 0.000 2.598 172 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.244 172 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.244 172 G C -0.349 174.591 174.900 0.066 0.000 1.302 172 G CA 0.482 45.619 45.100 0.061 0.000 0.903 172 G HN 1.415 nan 8.290 nan 0.000 0.575 173 E N 1.316 121.558 120.200 0.070 0.000 2.191 173 E HA 0.513 4.863 4.350 -0.000 0.000 0.278 173 E C -2.024 174.638 176.600 0.103 0.000 0.972 173 E CA -1.959 54.481 56.400 0.066 0.000 0.804 173 E CB 1.479 31.200 29.700 0.035 0.000 1.110 173 E HN 0.357 nan 8.360 nan 0.000 0.394 174 P HA 0.122 nan 4.420 nan 0.000 0.271 174 P C -1.134 176.222 177.300 0.093 0.000 1.216 174 P CA 0.087 63.255 63.100 0.114 0.000 0.776 174 P CB 0.793 32.560 31.700 0.111 0.000 0.881 175 K N 1.971 122.449 120.400 0.129 0.000 2.498 175 K HA 0.435 4.754 4.320 -0.000 0.000 0.254 175 K C -0.464 176.193 176.600 0.095 0.000 0.933 175 K CA -0.977 55.380 56.287 0.115 0.000 0.806 175 K CB 2.107 34.726 32.500 0.197 0.000 1.301 175 K HN 0.343 nan 8.250 nan 0.000 0.432 176 I N 4.853 125.453 120.570 0.049 0.000 2.396 176 I HA 0.082 4.252 4.170 -0.000 0.000 0.289 176 I C 1.518 177.694 176.117 0.099 0.000 1.056 176 I CA 0.268 61.595 61.300 0.046 0.000 1.365 176 I CB 0.290 38.291 38.000 0.002 0.000 1.407 176 I HN 0.694 nan 8.210 nan 0.000 0.509 177 I N 3.086 123.726 120.570 0.118 0.000 3.968 177 I HA 0.343 4.512 4.170 -0.000 0.000 0.328 177 I C -0.265 176.039 176.117 0.312 0.000 1.290 177 I CA 0.321 61.741 61.300 0.199 0.000 1.163 177 I CB 0.574 38.663 38.000 0.150 0.000 1.024 177 I HN 0.299 nan 8.210 nan 0.000 0.413 178 F N 1.599 121.543 119.950 -0.011 0.000 2.639 178 F HA 0.409 4.935 4.527 -0.000 0.000 0.320 178 F C 0.017 175.786 175.800 -0.051 0.000 1.128 178 F CA -0.993 56.985 58.000 -0.037 0.000 1.037 178 F CB 1.485 40.400 39.000 -0.142 0.000 1.288 178 F HN -0.265 nan 8.300 nan 0.000 0.463 179 K N 3.025 123.094 120.400 -0.552 0.000 2.334 179 K HA 0.527 4.847 4.320 -0.000 0.000 0.195 179 K C 0.806 177.032 176.600 -0.624 0.000 1.045 179 K CA 0.756 56.757 56.287 -0.478 0.000 1.004 179 K CB 0.197 32.475 32.500 -0.370 0.000 0.837 179 K HN 0.981 nan 8.250 nan 0.000 0.510 180 G N 0.971 108.989 108.800 -1.303 0.000 2.422 180 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.607 180 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.607 180 G C -0.159 174.431 174.900 -0.518 0.000 1.270 180 G CA -0.343 44.219 45.100 -0.895 0.000 0.992 180 G HN 0.189 nan 8.290 nan 0.000 0.499 181 T N -3.065 111.362 114.554 -0.212 0.000 2.892 181 T HA 0.580 4.930 4.350 -0.000 0.000 0.280 181 T C 1.359 175.965 174.700 -0.156 0.000 1.004 181 T CA 0.898 62.918 62.100 -0.134 0.000 0.950 181 T CB 1.429 70.266 68.868 -0.052 0.000 1.309 181 T HN 1.103 nan 8.240 nan 0.000 0.592 182 D N -0.005 120.311 120.400 -0.141 0.000 2.350 182 D HA -0.075 4.565 4.640 -0.000 0.000 0.216 182 D C 1.827 178.017 176.300 -0.184 0.000 0.968 182 D CA 0.323 54.227 54.000 -0.161 0.000 0.894 182 D CB -0.577 40.139 40.800 -0.141 0.000 0.909 182 D HN 0.243 nan 8.370 nan 0.000 0.520 183 L N 0.388 121.510 121.223 -0.168 0.000 2.079 183 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 183 L C 1.318 178.079 176.870 -0.182 0.000 1.081 183 L CA 0.978 55.713 54.840 -0.175 0.000 0.752 183 L CB -0.761 41.217 42.059 -0.134 0.000 0.896 183 L HN 0.101 nan 8.230 nan 0.000 0.433 184 R N -1.453 118.941 120.500 -0.176 0.000 3.819 184 R HA -0.273 4.067 4.340 -0.000 0.000 0.488 184 R C 1.049 177.295 176.300 -0.091 0.000 0.241 184 R CA 1.045 57.041 56.100 -0.173 0.000 1.530 184 R CB -1.663 28.360 30.300 -0.463 0.000 1.019 184 R HN 0.277 nan 8.270 nan 0.000 0.557 185 I N -0.905 119.673 120.570 0.014 0.000 6.267 185 I HA -0.270 3.900 4.170 -0.000 0.000 0.126 185 I C 0.137 176.059 176.117 -0.325 0.000 1.812 185 I CA 1.287 62.227 61.300 -0.600 0.000 2.110 185 I CB -2.186 35.487 38.000 -0.546 0.000 3.441 185 I HN 0.513 nan 8.210 nan 0.000 0.191 186 T N 2.211 116.801 114.554 0.060 0.000 2.829 186 T HA 0.316 4.665 4.350 -0.000 0.000 0.293 186 T C 0.303 175.201 174.700 0.330 0.000 0.970 186 T CA 0.460 62.666 62.100 0.178 0.000 1.168 186 T CB 1.524 70.479 68.868 0.144 0.000 0.911 186 T HN 0.432 nan 8.240 nan 0.000 0.535 187 E N 0.752 121.099 120.200 0.244 0.000 2.456 187 E HA 0.519 4.869 4.350 -0.000 0.000 0.278 187 E C 0.320 176.971 176.600 0.085 0.000 1.034 187 E CA -0.775 55.801 56.400 0.293 0.000 0.846 187 E CB 1.447 31.407 29.700 0.432 0.000 1.460 187 E HN 0.741 nan 8.360 nan 0.000 0.463 188 G N 2.636 111.463 108.800 0.045 0.000 2.393 188 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.299 188 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.299 188 G C -2.458 172.158 174.900 -0.472 0.000 0.990 188 G CA 0.185 45.088 45.100 -0.328 0.000 1.118 188 G HN 0.223 nan 8.290 nan 0.000 0.513 189 P HA 0.226 nan 4.420 nan 0.000 0.271 189 P C -0.318 176.652 177.300 -0.550 0.000 1.220 189 P CA 0.393 63.288 63.100 -0.342 0.000 0.768 189 P CB 0.862 32.446 31.700 -0.193 0.000 0.848 190 H N 2.311 121.322 119.070 -0.097 0.000 2.717 190 H HA 0.444 5.000 4.556 -0.000 0.000 0.366 190 H C -0.158 174.956 175.328 -0.356 0.000 1.132 190 H CA -0.719 55.213 56.048 -0.195 0.000 1.180 190 H CB 1.701 31.458 29.762 -0.009 0.000 1.678 190 H HN 0.319 nan 8.280 nan 0.000 0.537 191 L N 3.083 124.044 121.223 -0.437 0.000 2.317 191 L HA 0.416 4.756 4.340 -0.000 0.000 0.281 191 L C -1.043 175.422 176.870 -0.675 0.000 1.024 191 L CA -0.725 53.772 54.840 -0.572 0.000 0.810 191 L CB 0.952 42.466 42.059 -0.908 0.000 1.240 191 L HN 0.488 nan 8.230 nan 0.000 0.427 192 Y N 1.311 121.701 120.300 0.149 0.000 2.492 192 Y HA 0.418 4.968 4.550 -0.000 0.000 0.346 192 Y C -0.400 175.734 175.900 0.391 0.000 0.997 192 Y CA -1.117 57.215 58.100 0.386 0.000 1.025 192 Y CB 1.896 40.597 38.460 0.401 0.000 1.263 192 Y HN 0.317 nan 8.280 nan 0.000 0.454 193 K N 3.382 124.125 120.400 0.572 0.000 2.281 193 K HA 0.720 5.040 4.320 -0.000 0.000 0.272 193 K C -1.822 174.948 176.600 0.283 0.000 1.048 193 K CA 0.034 56.495 56.287 0.290 0.000 0.898 193 K CB 0.143 32.768 32.500 0.208 0.000 1.128 193 K HN 0.660 nan 8.250 nan 0.000 0.460 194 I N 4.272 125.011 120.570 0.281 0.000 2.619 194 I HA 0.321 4.490 4.170 -0.000 0.000 0.292 194 I C 0.172 176.363 176.117 0.122 0.000 1.100 194 I CA -0.890 60.498 61.300 0.147 0.000 1.043 194 I CB 2.065 40.015 38.000 -0.084 0.000 1.239 194 I HN 0.859 nan 8.210 nan 0.000 0.420 195 N N 2.747 121.431 118.700 -0.026 0.000 1.149 195 N HA -0.263 4.477 4.740 -0.000 0.000 0.118 195 N C 1.196 176.651 175.510 -0.091 0.000 0.756 195 N CA 2.013 55.032 53.050 -0.052 0.000 0.861 195 N CB -0.831 37.633 38.487 -0.039 0.000 1.099 195 N HN 0.960 nan 8.380 nan 0.000 0.597 196 G N -1.780 106.889 108.800 -0.217 0.000 2.985 196 G HA2 0.195 4.155 3.960 -0.000 0.000 0.209 196 G HA3 0.195 4.155 3.960 -0.000 0.000 0.209 196 G C -0.739 173.854 174.900 -0.512 0.000 1.165 196 G CA 0.405 45.261 45.100 -0.406 0.000 0.776 196 G HN 0.380 nan 8.290 nan 0.000 0.541 197 Y N -1.134 119.070 120.300 -0.159 0.000 2.468 197 Y HA 0.560 5.110 4.550 -0.000 0.000 0.342 197 Y C -0.550 175.207 175.900 -0.239 0.000 1.021 197 Y CA -1.595 56.343 58.100 -0.269 0.000 1.079 197 Y CB 1.283 39.400 38.460 -0.572 0.000 1.226 197 Y HN 0.008 nan 8.280 nan 0.000 0.460 198 Y N 1.362 121.683 120.300 0.035 0.000 2.316 198 Y HA 0.319 4.869 4.550 -0.000 0.000 0.331 198 Y C -0.895 175.022 175.900 0.028 0.000 1.083 198 Y CA -0.519 57.632 58.100 0.085 0.000 1.206 198 Y CB 0.446 38.915 38.460 0.016 0.000 1.195 198 Y HN 0.433 nan 8.280 nan 0.000 0.497 199 Y N 3.522 124.021 120.300 0.331 0.000 2.331 199 Y HA 0.420 4.969 4.550 -0.000 0.000 0.338 199 Y C -0.660 175.348 175.900 0.180 0.000 0.992 199 Y CA -1.013 57.257 58.100 0.282 0.000 1.121 199 Y CB 1.372 40.019 38.460 0.312 0.000 1.184 199 Y HN 0.424 nan 8.280 nan 0.000 0.469 200 L N 5.588 126.855 121.223 0.074 0.000 2.280 200 L HA 0.538 4.878 4.340 -0.000 0.000 0.287 200 L C -1.503 175.298 176.870 -0.116 0.000 1.023 200 L CA -0.736 53.965 54.840 -0.233 0.000 0.819 200 L CB 0.752 42.284 42.059 -0.879 0.000 1.212 200 L HN 0.597 nan 8.230 nan 0.000 0.420 201 L N 5.589 126.847 121.223 0.059 0.000 2.275 201 L HA 0.766 5.106 4.340 -0.000 0.000 0.288 201 L C -0.016 176.838 176.870 -0.026 0.000 1.046 201 L CA 0.377 55.278 54.840 0.102 0.000 0.805 201 L CB 1.400 43.666 42.059 0.345 0.000 1.193 201 L HN 0.864 nan 8.230 nan 0.000 0.426 202 T N 2.085 116.614 114.554 -0.042 0.000 2.901 202 T HA 0.891 5.241 4.350 -0.000 0.000 0.293 202 T C -0.497 174.179 174.700 -0.039 0.000 1.084 202 T CA -0.558 61.512 62.100 -0.049 0.000 1.008 202 T CB 1.518 70.414 68.868 0.047 0.000 1.170 202 T HN 0.838 nan 8.240 nan 0.000 0.509 203 A N 1.319 124.109 122.820 -0.051 0.000 2.290 203 A HA 0.720 5.040 4.320 -0.000 0.000 0.310 203 A C -0.055 177.585 177.584 0.093 0.000 1.202 203 A CA -0.650 51.394 52.037 0.010 0.000 0.837 203 A CB 0.297 19.358 19.000 0.100 0.000 1.139 203 A HN 0.864 nan 8.150 nan 0.000 0.509 204 E N 0.352 120.598 120.200 0.077 0.000 2.392 204 E HA 0.606 4.956 4.350 -0.000 0.000 0.269 204 E C 0.533 177.182 176.600 0.082 0.000 0.924 204 E CA -0.480 55.954 56.400 0.057 0.000 0.784 204 E CB 1.847 31.554 29.700 0.011 0.000 1.292 204 E HN 1.328 nan 8.360 nan 0.000 0.447 205 G N 0.374 109.171 108.800 -0.005 0.000 2.199 205 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.254 205 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.254 205 G C 0.558 175.459 174.900 0.001 0.000 0.982 205 G CA 0.108 45.194 45.100 -0.024 0.000 0.632 205 G HN 1.296 nan 8.290 nan 0.000 0.529 206 G N -1.927 106.881 108.800 0.014 0.000 2.733 206 G HA2 0.229 4.189 3.960 -0.000 0.000 0.686 206 G HA3 0.229 4.189 3.960 -0.000 0.000 0.686 206 G C 0.380 175.155 174.900 -0.208 0.000 1.373 206 G CA 0.749 45.820 45.100 -0.048 0.000 0.838 206 G HN 1.608 nan 8.290 nan 0.000 0.588 207 T N 0.851 115.195 114.554 -0.351 0.000 3.317 207 T HA 0.206 4.556 4.350 -0.000 0.000 0.250 207 T C 1.609 176.096 174.700 -0.356 0.000 1.106 207 T CA 1.616 63.283 62.100 -0.721 0.000 0.986 207 T CB -0.387 68.228 68.868 -0.422 0.000 1.010 207 T HN 0.588 nan 8.240 nan 0.000 0.560 208 R N -0.830 119.542 120.500 -0.212 0.000 2.103 208 R HA 0.333 4.673 4.340 -0.000 0.000 0.155 208 R C 0.829 176.995 176.300 -0.224 0.000 1.173 208 R CA -0.482 55.467 56.100 -0.252 0.000 1.504 208 R CB -0.155 30.076 30.300 -0.115 0.000 1.742 208 R HN 0.175 nan 8.270 nan 0.000 0.595 209 Y N 0.661 121.009 120.300 0.080 0.000 2.583 209 Y HA 0.052 4.602 4.550 -0.000 0.000 0.293 209 Y C 0.984 177.051 175.900 0.279 0.000 1.157 209 Y CA 0.800 58.992 58.100 0.153 0.000 1.315 209 Y CB -0.316 38.200 38.460 0.093 0.000 1.021 209 Y HN 0.446 nan 8.280 nan 0.000 0.536 210 N N -1.603 117.263 118.700 0.276 0.000 2.270 210 N HA -0.019 4.721 4.740 -0.000 0.000 0.198 210 N C -0.014 175.581 175.510 0.142 0.000 1.117 210 N CA -0.129 53.003 53.050 0.136 0.000 0.845 210 N CB -0.004 38.428 38.487 -0.091 0.000 0.980 210 N HN 0.359 nan 8.380 nan 0.000 0.486 211 H N 1.035 120.153 119.070 0.079 0.000 2.972 211 H HA 0.240 4.795 4.556 -0.000 0.000 0.343 211 H C -0.351 175.018 175.328 0.070 0.000 1.054 211 H CA -0.221 55.866 56.048 0.065 0.000 1.412 211 H CB 0.564 30.375 29.762 0.082 0.000 1.385 211 H HN 0.206 nan 8.280 nan 0.000 0.600 212 A N 2.883 125.692 122.820 -0.018 0.000 2.566 212 A HA 0.659 4.978 4.320 -0.000 0.000 0.292 212 A C -1.365 176.105 177.584 -0.189 0.000 1.112 212 A CA -0.190 51.789 52.037 -0.096 0.000 0.707 212 A CB 1.458 20.431 19.000 -0.045 0.000 1.302 212 A HN 0.786 nan 8.150 nan 0.000 0.409 213 A N 0.717 123.443 122.820 -0.156 0.000 2.260 213 A HA 0.701 5.021 4.320 -0.000 0.000 0.314 213 A C -0.059 177.463 177.584 -0.104 0.000 1.257 213 A CA -0.237 51.727 52.037 -0.121 0.000 0.871 213 A CB 0.232 19.166 19.000 -0.109 0.000 1.166 213 A HN 0.770 nan 8.150 nan 0.000 0.522 214 T N 2.902 117.420 114.554 -0.060 0.000 2.824 214 T HA 0.588 4.938 4.350 -0.000 0.000 0.280 214 T C -0.552 174.131 174.700 -0.029 0.000 0.995 214 T CA -0.035 62.039 62.100 -0.043 0.000 1.009 214 T CB 0.723 69.612 68.868 0.035 0.000 0.955 214 T HN 0.572 nan 8.240 nan 0.000 0.452 215 I N 2.320 122.875 120.570 -0.026 0.000 2.647 215 I HA 0.771 4.940 4.170 -0.000 0.000 0.295 215 I C -0.926 175.274 176.117 0.138 0.000 1.078 215 I CA -0.655 60.688 61.300 0.071 0.000 1.048 215 I CB 1.374 39.473 38.000 0.166 0.000 1.239 215 I HN 0.762 nan 8.210 nan 0.000 0.421 216 A N 6.834 129.733 122.820 0.132 0.000 2.527 216 A HA 0.921 5.241 4.320 -0.000 0.000 0.293 216 A C -1.300 176.463 177.584 0.299 0.000 1.117 216 A CA -0.760 51.415 52.037 0.230 0.000 0.723 216 A CB 1.868 20.808 19.000 -0.102 0.000 1.313 216 A HN 0.782 nan 8.150 nan 0.000 0.411 217 R N -0.237 120.419 120.500 0.261 0.000 2.725 217 R HA 0.860 5.200 4.340 -0.000 0.000 0.277 217 R C -1.047 175.183 176.300 -0.118 0.000 0.987 217 R CA -0.337 55.666 56.100 -0.161 0.000 0.901 217 R CB 1.888 31.528 30.300 -1.101 0.000 1.207 217 R HN 0.744 nan 8.270 nan 0.000 0.463 218 S N -0.525 115.042 115.700 -0.221 0.000 2.579 218 S HA 0.284 4.754 4.470 -0.000 0.000 0.272 218 S C 0.404 175.009 174.600 0.008 0.000 1.141 218 S CA -0.233 57.798 58.200 -0.281 0.000 0.843 218 S CB 1.884 64.538 63.200 -0.911 0.000 1.122 218 S HN 0.733 nan 8.310 nan 0.000 0.468 219 T N -0.453 114.110 114.554 0.015 0.000 3.088 219 T HA 0.222 4.572 4.350 -0.000 0.000 0.259 219 T C 0.816 175.575 174.700 0.099 0.000 1.122 219 T CA 0.455 62.558 62.100 0.005 0.000 1.095 219 T CB -0.050 68.768 68.868 -0.083 0.000 0.930 219 T HN 0.410 nan 8.240 nan 0.000 0.508 220 S N -0.101 115.593 115.700 -0.009 0.000 2.532 220 S HA 0.524 4.994 4.470 -0.000 0.000 0.301 220 S C 0.730 175.130 174.600 -0.335 0.000 1.083 220 S CA -0.955 57.209 58.200 -0.060 0.000 1.025 220 S CB 1.552 64.715 63.200 -0.061 0.000 1.056 220 S HN 0.190 nan 8.310 nan 0.000 0.494 221 L N 4.341 125.190 121.223 -0.624 0.000 2.079 221 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 221 L C 1.119 177.672 176.870 -0.529 0.000 1.081 221 L CA 2.014 56.280 54.840 -0.956 0.000 0.752 221 L CB -0.514 40.904 42.059 -1.069 0.000 0.896 221 L HN 0.893 nan 8.230 nan 0.000 0.433 222 Y N -0.416 119.724 120.300 -0.266 0.000 2.466 222 Y HA 0.417 4.967 4.550 -0.000 0.000 0.272 222 Y C 1.437 177.299 175.900 -0.063 0.000 1.169 222 Y CA 0.279 58.313 58.100 -0.110 0.000 1.285 222 Y CB -0.152 38.250 38.460 -0.096 0.000 1.078 222 Y HN 0.292 nan 8.280 nan 0.000 0.523 223 G N 0.359 109.059 108.800 -0.167 0.000 2.610 223 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.304 223 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.304 223 G C -2.797 172.024 174.900 -0.131 0.000 1.309 223 G CA -1.252 43.687 45.100 -0.269 0.000 0.906 223 G HN 0.018 nan 8.290 nan 0.000 0.521 224 P HA 0.556 nan 4.420 nan 0.000 0.276 224 P C -1.025 176.226 177.300 -0.081 0.000 1.244 224 P CA -0.298 62.809 63.100 0.012 0.000 0.801 224 P CB 0.307 32.041 31.700 0.057 0.000 1.006 225 Y N 0.070 120.433 120.300 0.105 0.000 2.335 225 Y HA 0.195 4.745 4.550 -0.000 0.000 0.339 225 Y C 1.131 177.110 175.900 0.132 0.000 0.987 225 Y CA -0.434 57.706 58.100 0.067 0.000 1.140 225 Y CB 0.809 39.236 38.460 -0.055 0.000 1.173 225 Y HN 0.376 nan 8.280 nan 0.000 0.486 226 E N 1.815 122.150 120.200 0.226 0.000 2.313 226 E HA 0.443 4.792 4.350 -0.000 0.000 0.276 226 E C -1.009 175.773 176.600 0.303 0.000 1.031 226 E CA -0.754 55.786 56.400 0.234 0.000 0.857 226 E CB 1.287 31.104 29.700 0.195 0.000 1.040 226 E HN 0.255 nan 8.360 nan 0.000 0.408 227 V N 3.646 123.672 119.914 0.186 0.000 2.649 227 V HA -0.039 4.080 4.120 -0.000 0.000 0.292 227 V C 0.727 176.663 176.094 -0.263 0.000 1.055 227 V CA -0.532 61.810 62.300 0.069 0.000 1.023 227 V CB 0.840 32.715 31.823 0.086 0.000 0.992 227 V HN 0.751 nan 8.190 nan 0.000 0.480 228 H N 7.977 126.586 119.070 -0.768 0.000 3.193 228 H HA -0.055 4.501 4.556 -0.000 0.000 0.306 228 H C -1.456 173.369 175.328 -0.839 0.000 0.960 228 H CA -0.545 54.642 56.048 -1.436 0.000 1.375 228 H CB 1.212 30.433 29.762 -0.902 0.000 1.321 228 H HN 0.419 nan 8.280 nan 0.000 0.578 229 P HA -0.064 nan 4.420 nan 0.000 0.223 229 P C 0.027 177.267 177.300 -0.100 0.000 1.151 229 P CA 1.015 63.931 63.100 -0.306 0.000 0.787 229 P CB 0.597 32.130 31.700 -0.279 0.000 0.788 230 D N -1.010 119.421 120.400 0.052 0.000 2.571 230 D HA 0.076 4.716 4.640 -0.000 0.000 0.239 230 D C 0.201 176.378 176.300 -0.204 0.000 1.267 230 D CA -0.466 53.529 54.000 -0.007 0.000 0.823 230 D CB -0.613 40.245 40.800 0.096 0.000 1.056 230 D HN 0.052 nan 8.370 nan 0.000 0.494 231 N N 2.502 121.047 118.700 -0.258 0.000 2.294 231 N HA -0.007 4.732 4.740 -0.000 0.000 0.248 231 N C -2.314 173.079 175.510 -0.195 0.000 1.242 231 N CA -0.234 52.619 53.050 -0.329 0.000 0.848 231 N CB 0.507 38.871 38.487 -0.204 0.000 1.084 231 N HN -0.101 nan 8.380 nan 0.000 0.457 232 P HA 0.000 nan 4.420 nan 0.000 0.269 232 P C 0.697 177.785 177.300 -0.354 0.000 1.215 232 P CA -0.426 62.544 63.100 -0.215 0.000 0.780 232 P CB 0.563 32.195 31.700 -0.114 0.000 0.898 233 L N 2.651 123.632 121.223 -0.403 0.000 2.042 233 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 233 L C 0.451 177.160 176.870 -0.268 0.000 1.076 233 L CA 1.951 56.526 54.840 -0.440 0.000 0.749 233 L CB -0.524 41.341 42.059 -0.323 0.000 0.893 233 L HN 0.346 nan 8.230 nan 0.000 0.432 234 L N -1.347 119.762 121.223 -0.191 0.000 2.493 234 L HA 0.584 4.924 4.340 -0.000 0.000 0.265 234 L C -0.977 175.840 176.870 -0.088 0.000 0.954 234 L CA 0.204 54.954 54.840 -0.150 0.000 0.844 234 L CB 1.927 43.855 42.059 -0.219 0.000 1.302 234 L HN -0.027 nan 8.230 nan 0.000 0.405 235 T N 1.460 116.023 114.554 0.014 0.000 2.957 235 T HA 0.389 4.739 4.350 -0.000 0.000 0.336 235 T C 0.003 174.861 174.700 0.263 0.000 1.462 235 T CA 0.009 62.178 62.100 0.115 0.000 1.073 235 T CB 1.623 70.576 68.868 0.143 0.000 1.319 235 T HN 0.545 nan 8.240 nan 0.000 0.485 236 S N 1.689 117.556 115.700 0.278 0.000 2.535 236 S HA 0.097 4.567 4.470 -0.000 0.000 0.214 236 S C 1.237 176.021 174.600 0.307 0.000 0.980 236 S CA -0.245 58.167 58.200 0.353 0.000 0.907 236 S CB -0.183 63.182 63.200 0.274 0.000 0.790 236 S HN 0.762 nan 8.310 nan 0.000 0.510 237 W N 4.157 125.520 121.300 0.106 0.000 2.318 237 W HA -0.118 4.542 4.660 -0.000 0.000 0.313 237 W C -1.744 174.708 176.519 -0.111 0.000 1.221 237 W CA 1.528 58.887 57.345 0.023 0.000 1.266 237 W CB -1.175 28.289 29.460 0.006 0.000 1.150 237 W HN 0.203 nan 8.180 nan 0.000 0.496 238 P HA -0.021 nan 4.420 nan 0.000 0.249 238 P C -1.069 175.668 177.300 -0.938 0.000 1.241 238 P CA 1.041 63.579 63.100 -0.938 0.000 0.781 238 P CB -0.409 30.787 31.700 -0.839 0.000 1.088 239 Y N -0.161 120.027 120.300 -0.186 0.000 2.562 239 Y HA 0.290 4.840 4.550 -0.000 0.000 0.363 239 Y C -1.479 174.355 175.900 -0.108 0.000 0.991 239 Y CA -2.732 55.300 58.100 -0.113 0.000 1.121 239 Y CB 0.546 38.981 38.460 -0.041 0.000 1.159 239 Y HN -0.002 nan 8.280 nan 0.000 0.651 240 P HA -0.119 nan 4.420 nan 0.000 0.222 240 P C 0.881 178.161 177.300 -0.033 0.000 1.147 240 P CA 1.236 64.275 63.100 -0.103 0.000 0.790 240 P CB 0.425 32.016 31.700 -0.182 0.000 0.780 241 R N -1.211 119.292 120.500 0.004 0.000 2.297 241 R HA 0.090 4.429 4.340 -0.000 0.000 0.197 241 R C 1.082 177.407 176.300 0.042 0.000 0.943 241 R CA -0.229 55.880 56.100 0.015 0.000 1.038 241 R CB -0.367 29.939 30.300 0.011 0.000 0.957 241 R HN 0.122 nan 8.270 nan 0.000 0.484 242 N N 2.207 120.951 118.700 0.073 0.000 2.468 242 N HA -0.011 4.729 4.740 -0.000 0.000 0.265 242 N C -1.612 173.952 175.510 0.090 0.000 1.199 242 N CA -1.293 51.803 53.050 0.076 0.000 0.928 242 N CB 1.298 39.843 38.487 0.097 0.000 1.059 242 N HN -0.062 nan 8.380 nan 0.000 0.467 243 P HA -0.085 nan 4.420 nan 0.000 0.220 243 P C 0.105 177.492 177.300 0.146 0.000 1.148 243 P CA 1.067 64.229 63.100 0.103 0.000 0.803 243 P CB 0.369 32.124 31.700 0.092 0.000 0.782 244 L N 0.533 121.843 121.223 0.144 0.000 2.255 244 L HA 0.266 4.605 4.340 -0.000 0.000 0.289 244 L C 0.768 177.758 176.870 0.201 0.000 1.046 244 L CA -0.440 54.506 54.840 0.177 0.000 0.816 244 L CB 0.733 42.896 42.059 0.174 0.000 1.197 244 L HN -0.058 nan 8.230 nan 0.000 0.427 245 Q N 2.257 122.197 119.800 0.234 0.000 2.286 245 Q HA 0.359 4.699 4.340 -0.000 0.000 0.250 245 Q C 0.042 176.181 176.000 0.232 0.000 1.021 245 Q CA -0.791 55.178 55.803 0.276 0.000 0.930 245 Q CB 1.510 30.497 28.738 0.415 0.000 1.266 245 Q HN 0.370 nan 8.270 nan 0.000 0.491 246 K N -1.146 119.385 120.400 0.220 0.000 3.016 246 K HA -0.206 4.114 4.320 -0.000 0.000 0.262 246 K C -0.389 176.405 176.600 0.323 0.000 1.043 246 K CA 0.611 57.018 56.287 0.199 0.000 0.761 246 K CB -2.050 30.462 32.500 0.021 0.000 1.230 246 K HN 0.628 nan 8.250 nan 0.000 0.485 247 A N 1.040 124.001 122.820 0.234 0.000 2.515 247 A HA 0.515 4.835 4.320 -0.000 0.000 0.263 247 A C 0.993 178.547 177.584 -0.051 0.000 1.096 247 A CA 0.957 53.072 52.037 0.132 0.000 0.769 247 A CB 0.323 19.314 19.000 -0.015 0.000 1.040 247 A HN 0.675 nan 8.150 nan 0.000 0.505 248 G N 0.538 109.280 108.800 -0.097 0.000 2.341 248 G HA2 0.455 4.415 3.960 -0.000 0.000 0.299 248 G HA3 0.455 4.415 3.960 -0.000 0.000 0.299 248 G C -0.292 174.546 174.900 -0.104 0.000 1.274 248 G CA 0.072 44.860 45.100 -0.520 0.000 0.853 248 G HN 1.652 nan 8.290 nan 0.000 0.493 249 H N -0.929 118.022 119.070 -0.199 0.000 2.591 249 H HA 0.034 4.590 4.556 -0.000 0.000 0.325 249 H C 0.621 176.079 175.328 0.217 0.000 1.096 249 H CA 1.094 57.234 56.048 0.153 0.000 1.108 249 H CB -1.016 28.938 29.762 0.320 0.000 1.590 249 H HN 1.432 nan 8.280 nan 0.000 0.399 250 A N 1.761 124.716 122.820 0.224 0.000 2.271 250 A HA 0.724 5.044 4.320 -0.000 0.000 0.288 250 A C 0.255 178.068 177.584 0.382 0.000 1.094 250 A CA 0.147 52.354 52.037 0.283 0.000 0.828 250 A CB 0.980 20.086 19.000 0.176 0.000 1.091 250 A HN 0.944 nan 8.150 nan 0.000 0.493 251 S N -0.170 115.733 115.700 0.338 0.000 2.536 251 S HA 0.694 5.164 4.470 -0.000 0.000 0.271 251 S C -0.886 173.876 174.600 0.270 0.000 1.134 251 S CA -0.579 57.824 58.200 0.337 0.000 0.897 251 S CB 0.791 64.112 63.200 0.202 0.000 1.094 251 S HN 0.571 nan 8.310 nan 0.000 0.473 252 I N 2.222 122.924 120.570 0.220 0.000 2.392 252 I HA 0.599 4.769 4.170 -0.000 0.000 0.295 252 I C -0.580 175.663 176.117 0.210 0.000 0.985 252 I CA -1.104 60.250 61.300 0.090 0.000 1.221 252 I CB 1.822 39.647 38.000 -0.292 0.000 1.366 252 I HN 0.536 nan 8.210 nan 0.000 0.467 253 V N 6.408 126.502 119.914 0.300 0.000 2.540 253 V HA 0.345 4.465 4.120 -0.000 0.000 0.302 253 V C -0.777 175.457 176.094 0.233 0.000 1.035 253 V CA -0.358 62.133 62.300 0.318 0.000 0.873 253 V CB 1.795 33.846 31.823 0.380 0.000 0.992 253 V HN 0.740 nan 8.190 nan 0.000 0.428 254 H N 4.590 123.576 119.070 -0.139 0.000 2.519 254 H HA 0.505 5.061 4.556 -0.000 0.000 0.316 254 H C 0.134 175.341 175.328 -0.201 0.000 1.065 254 H CA -0.228 55.421 56.048 -0.666 0.000 1.264 254 H CB 1.330 30.474 29.762 -1.030 0.000 1.413 254 H HN 0.857 nan 8.280 nan 0.000 0.465 255 T N 1.219 115.692 114.554 -0.136 0.000 2.874 255 T HA -0.029 4.321 4.350 -0.000 0.000 0.281 255 T C 1.629 176.213 174.700 -0.193 0.000 0.994 255 T CA -0.677 61.437 62.100 0.023 0.000 1.015 255 T CB 0.901 69.798 68.868 0.048 0.000 1.028 255 T HN 0.836 nan 8.240 nan 0.000 0.523 256 H N -0.128 118.940 119.070 -0.003 0.000 2.521 256 H HA -0.048 4.507 4.556 -0.000 0.000 0.286 256 H C 1.349 176.642 175.328 -0.059 0.000 1.034 256 H CA 1.488 57.491 56.048 -0.076 0.000 1.278 256 H CB -0.993 28.753 29.762 -0.027 0.000 1.386 256 H HN 0.769 nan 8.280 nan 0.000 0.567 257 T N -2.035 112.234 114.554 -0.476 0.000 3.169 257 T HA 0.023 4.373 4.350 -0.000 0.000 0.250 257 T C 0.310 174.943 174.700 -0.112 0.000 1.111 257 T CA 0.392 62.326 62.100 -0.276 0.000 1.010 257 T CB -0.396 68.298 68.868 -0.290 0.000 0.984 257 T HN 0.334 nan 8.240 nan 0.000 0.537 258 D N 0.858 121.168 120.400 -0.150 0.000 2.716 258 D HA -0.145 4.494 4.640 -0.000 0.000 0.239 258 D C -0.449 175.907 176.300 0.094 0.000 1.125 258 D CA 0.729 54.720 54.000 -0.016 0.000 0.681 258 D CB -1.352 39.501 40.800 0.088 0.000 1.070 258 D HN 0.784 nan 8.370 nan 0.000 0.432 259 E N -0.887 119.325 120.200 0.020 0.000 2.320 259 E HA 0.689 5.039 4.350 -0.000 0.000 0.264 259 E C -0.585 175.999 176.600 -0.026 0.000 0.923 259 E CA -0.897 55.555 56.400 0.086 0.000 0.796 259 E CB 1.025 30.810 29.700 0.142 0.000 1.262 259 E HN 0.142 nan 8.360 nan 0.000 0.428 260 W N 1.180 122.447 121.300 -0.056 0.000 2.683 260 W HA 0.499 5.159 4.660 -0.000 0.000 0.329 260 W C -1.066 175.221 176.519 -0.388 0.000 1.037 260 W CA -0.345 56.997 57.345 -0.006 0.000 1.232 260 W CB 0.847 30.381 29.460 0.123 0.000 1.390 260 W HN 0.353 nan 8.180 nan 0.000 0.465 261 F N 2.508 122.632 119.950 0.291 0.000 2.620 261 F HA 0.694 5.220 4.527 -0.000 0.000 0.320 261 F C -0.801 175.111 175.800 0.188 0.000 1.069 261 F CA -1.403 56.713 58.000 0.193 0.000 0.953 261 F CB 1.588 40.665 39.000 0.127 0.000 1.322 261 F HN -0.038 nan 8.300 nan 0.000 0.479 262 L N 2.815 124.251 121.223 0.355 0.000 2.404 262 L HA 0.710 5.050 4.340 -0.000 0.000 0.272 262 L C -0.952 176.093 176.870 0.291 0.000 0.980 262 L CA -0.734 54.266 54.840 0.266 0.000 0.836 262 L CB 1.608 43.769 42.059 0.170 0.000 1.238 262 L HN 0.459 nan 8.230 nan 0.000 0.408 263 V N 1.970 122.029 119.914 0.242 0.000 2.644 263 V HA 0.849 4.969 4.120 -0.000 0.000 0.295 263 V C -0.573 175.657 176.094 0.227 0.000 1.053 263 V CA 0.059 62.452 62.300 0.155 0.000 0.987 263 V CB 1.224 33.080 31.823 0.056 0.000 1.006 263 V HN 1.052 nan 8.190 nan 0.000 0.472 264 H N 2.680 121.802 119.070 0.086 0.000 3.014 264 H HA 0.752 5.308 4.556 -0.000 0.000 0.337 264 H C -0.859 174.527 175.328 0.097 0.000 1.320 264 H CA -1.000 55.116 56.048 0.113 0.000 1.128 264 H CB 1.201 31.014 29.762 0.085 0.000 1.862 264 H HN 0.948 nan 8.280 nan 0.000 0.536 265 L N -0.724 120.632 121.223 0.222 0.000 2.439 265 L HA 0.863 5.203 4.340 -0.000 0.000 0.259 265 L C 0.065 177.087 176.870 0.253 0.000 1.129 265 L CA -0.198 54.737 54.840 0.158 0.000 0.803 265 L CB 1.397 43.576 42.059 0.200 0.000 1.161 265 L HN 0.953 nan 8.230 nan 0.000 0.462 266 T N -0.047 114.607 114.554 0.166 0.000 2.957 266 T HA 0.697 5.047 4.350 -0.000 0.000 0.336 266 T C -0.753 174.038 174.700 0.152 0.000 1.462 266 T CA -0.080 62.140 62.100 0.199 0.000 1.073 266 T CB 1.068 70.055 68.868 0.197 0.000 1.319 266 T HN 1.205 nan 8.240 nan 0.000 0.485 267 G N 2.273 111.168 108.800 0.158 0.000 2.461 267 G HA2 0.643 4.603 3.960 -0.000 0.000 0.323 267 G HA3 0.643 4.603 3.960 -0.000 0.000 0.323 267 G C -1.084 173.953 174.900 0.228 0.000 1.229 267 G CA -0.788 44.409 45.100 0.162 0.000 0.941 267 G HN 0.713 nan 8.290 nan 0.000 0.477 268 R N 2.959 123.630 120.500 0.286 0.000 2.247 268 R HA 0.327 4.667 4.340 -0.000 0.000 0.329 268 R C -2.576 173.977 176.300 0.421 0.000 1.014 268 R CA -1.424 54.894 56.100 0.364 0.000 0.907 268 R CB 1.578 32.170 30.300 0.485 0.000 1.146 268 R HN 0.314 nan 8.270 nan 0.000 0.499 269 P HA -0.045 nan 4.420 nan 0.000 0.268 269 P C -0.086 177.310 177.300 0.160 0.000 1.205 269 P CA -0.111 63.158 63.100 0.282 0.000 0.771 269 P CB 0.611 32.442 31.700 0.219 0.000 0.858 270 L N 4.819 126.158 121.223 0.193 0.000 2.503 270 L HA 0.056 4.396 4.340 -0.000 0.000 0.287 270 L C -1.638 175.218 176.870 -0.023 0.000 1.252 270 L CA -1.261 53.594 54.840 0.025 0.000 0.835 270 L CB -0.662 41.508 42.059 0.185 0.000 1.099 270 L HN 0.310 nan 8.230 nan 0.000 0.516 271 P HA 0.032 nan 4.420 nan 0.000 0.266 271 P C -0.841 176.458 177.300 -0.002 0.000 1.195 271 P CA 0.118 63.189 63.100 -0.049 0.000 0.768 271 P CB 0.311 31.981 31.700 -0.051 0.000 0.838 272 R N 0.106 120.607 120.500 0.001 0.000 2.635 272 R HA 0.328 4.667 4.340 -0.000 0.000 0.393 272 R C -0.700 175.596 176.300 -0.006 0.000 1.070 272 R CA -0.593 55.511 56.100 0.007 0.000 1.118 272 R CB -0.171 30.146 30.300 0.029 0.000 1.341 272 R HN 0.171 nan 8.270 nan 0.000 0.628 273 E N 0.857 121.051 120.200 -0.010 0.000 2.452 273 E HA 0.233 4.583 4.350 -0.000 0.000 0.261 273 E C 1.220 177.812 176.600 -0.014 0.000 0.987 273 E CA 1.901 58.294 56.400 -0.012 0.000 0.926 273 E CB 0.651 30.345 29.700 -0.010 0.000 0.934 273 E HN 0.530 nan 8.360 nan 0.000 0.452 274 G N 2.431 111.222 108.800 -0.015 0.000 2.241 274 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.244 274 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.244 274 G C 0.181 175.071 174.900 -0.017 0.000 0.998 274 G CA 0.087 45.177 45.100 -0.016 0.000 0.621 274 G HN 0.474 nan 8.290 nan 0.000 0.519 275 Q N 1.012 120.803 119.800 -0.017 0.000 2.230 275 Q HA 0.521 4.861 4.340 -0.000 0.000 0.248 275 Q C -2.279 173.710 176.000 -0.018 0.000 0.915 275 Q CA -1.738 54.056 55.803 -0.015 0.000 0.900 275 Q CB 1.042 29.775 28.738 -0.008 0.000 1.229 275 Q HN 0.180 nan 8.270 nan 0.000 0.439 276 P HA -0.103 nan 4.420 nan 0.000 0.264 276 P C 0.105 177.382 177.300 -0.038 0.000 1.193 276 P CA -0.005 63.081 63.100 -0.024 0.000 0.763 276 P CB 0.528 32.218 31.700 -0.018 0.000 0.810 277 L N 4.391 125.584 121.223 -0.050 0.000 2.013 277 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 277 L C 1.562 178.371 176.870 -0.103 0.000 1.073 277 L CA 2.038 56.835 54.840 -0.072 0.000 0.753 277 L CB -0.544 41.471 42.059 -0.074 0.000 0.890 277 L HN 0.413 nan 8.230 nan 0.000 0.432 278 L N -1.797 119.369 121.223 -0.094 0.000 2.556 278 L HA 0.083 4.423 4.340 -0.000 0.000 0.226 278 L C 2.193 179.010 176.870 -0.088 0.000 1.089 278 L CA 0.069 54.841 54.840 -0.115 0.000 0.864 278 L CB -0.099 41.898 42.059 -0.104 0.000 1.067 278 L HN 0.215 nan 8.230 nan 0.000 0.477 279 E N 0.353 120.524 120.200 -0.047 0.000 2.038 279 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 279 E C 0.640 177.252 176.600 0.020 0.000 1.000 279 E CA 1.359 57.756 56.400 -0.005 0.000 0.803 279 E CB 0.213 29.921 29.700 0.014 0.000 0.750 279 E HN 0.221 nan 8.360 nan 0.000 0.448 280 H N -1.178 117.826 119.070 -0.110 0.000 2.877 280 H HA 0.355 4.911 4.556 -0.000 0.000 0.347 280 H C -0.298 174.862 175.328 -0.280 0.000 1.042 280 H CA -0.507 55.442 56.048 -0.165 0.000 1.276 280 H CB 0.917 30.610 29.762 -0.115 0.000 1.681 280 H HN 0.018 nan 8.280 nan 0.000 0.521 281 R N 2.453 122.528 120.500 -0.708 0.000 2.334 281 R HA 0.261 4.601 4.340 -0.000 0.000 0.220 281 R C 0.354 176.283 176.300 -0.618 0.000 0.917 281 R CA 0.485 56.100 56.100 -0.807 0.000 1.073 281 R CB 0.627 30.147 30.300 -1.300 0.000 1.056 281 R HN 0.811 nan 8.270 nan 0.000 0.506 282 G N -0.355 108.293 108.800 -0.255 0.000 2.347 282 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.477 282 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.477 282 G C -1.810 173.107 174.900 0.028 0.000 1.349 282 G CA -1.061 44.056 45.100 0.029 0.000 1.000 282 G HN 0.072 nan 8.290 nan 0.000 0.605 283 Y N -0.940 119.564 120.300 0.341 0.000 2.350 283 Y HA 0.563 5.113 4.550 -0.000 0.000 0.338 283 Y C 0.486 176.581 175.900 0.325 0.000 0.961 283 Y CA -0.705 57.602 58.100 0.345 0.000 1.100 283 Y CB 2.234 40.887 38.460 0.321 0.000 1.179 283 Y HN 0.673 nan 8.280 nan 0.000 0.454 284 C N 5.590 125.143 119.300 0.423 0.000 2.357 284 C HA 0.219 4.679 4.460 -0.000 0.000 0.300 284 C C -1.201 173.968 174.990 0.299 0.000 1.074 284 C CA -1.411 57.825 59.018 0.363 0.000 1.566 284 C CB 0.085 27.989 27.740 0.274 0.000 1.791 284 C HN 0.665 nan 8.230 nan 0.000 0.415 285 P HA -0.064 nan 4.420 nan 0.000 0.223 285 P C 0.927 178.289 177.300 0.104 0.000 1.151 285 P CA 1.160 64.364 63.100 0.173 0.000 0.787 285 P CB 0.254 32.093 31.700 0.231 0.000 0.788 286 L N -1.383 119.918 121.223 0.130 0.000 2.612 286 L HA 0.207 4.547 4.340 -0.000 0.000 0.230 286 L C 1.556 178.476 176.870 0.083 0.000 1.140 286 L CA 0.286 55.150 54.840 0.041 0.000 0.896 286 L CB -1.259 40.724 42.059 -0.126 0.000 1.065 286 L HN 0.091 nan 8.230 nan 0.000 0.447 287 G N 1.388 110.271 108.800 0.137 0.000 2.564 287 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.273 287 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.273 287 G C -0.088 174.905 174.900 0.155 0.000 1.242 287 G CA -0.302 44.895 45.100 0.161 0.000 0.951 287 G HN 0.391 nan 8.290 nan 0.000 0.564 288 R N 1.102 121.707 120.500 0.174 0.000 2.229 288 R HA 0.518 4.858 4.340 -0.000 0.000 0.328 288 R C 0.154 176.531 176.300 0.128 0.000 1.009 288 R CA -0.332 55.854 56.100 0.143 0.000 0.864 288 R CB 1.331 31.712 30.300 0.135 0.000 1.085 288 R HN 0.627 nan 8.270 nan 0.000 0.453 289 E N 0.738 120.988 120.200 0.083 0.000 2.259 289 E HA 0.303 4.653 4.350 -0.000 0.000 0.257 289 E C -0.557 176.014 176.600 -0.048 0.000 0.998 289 E CA -0.801 55.615 56.400 0.026 0.000 0.866 289 E CB 1.706 31.404 29.700 -0.003 0.000 1.220 289 E HN 0.315 nan 8.360 nan 0.000 0.415 290 T N 0.976 115.432 114.554 -0.162 0.000 2.767 290 T HA 0.579 4.929 4.350 -0.000 0.000 0.284 290 T C -0.601 173.902 174.700 -0.328 0.000 0.973 290 T CA -0.522 61.422 62.100 -0.261 0.000 0.996 290 T CB 1.134 69.792 68.868 -0.350 0.000 0.927 290 T HN 0.501 nan 8.240 nan 0.000 0.456 291 A N 3.270 125.830 122.820 -0.434 0.000 2.387 291 A HA 0.951 5.271 4.320 -0.000 0.000 0.298 291 A C -1.068 176.288 177.584 -0.380 0.000 1.165 291 A CA -0.882 50.891 52.037 -0.440 0.000 0.814 291 A CB 1.224 19.915 19.000 -0.517 0.000 1.357 291 A HN 0.852 nan 8.150 nan 0.000 0.443 292 I N -0.337 120.164 120.570 -0.116 0.000 2.607 292 I HA 0.390 4.560 4.170 -0.000 0.000 0.290 292 I C -1.425 174.827 176.117 0.226 0.000 1.129 292 I CA -0.480 60.869 61.300 0.082 0.000 1.042 292 I CB 1.920 39.959 38.000 0.065 0.000 1.242 292 I HN 0.641 nan 8.210 nan 0.000 0.421 293 Q N 5.598 125.587 119.800 0.314 0.000 2.351 293 Q HA 0.509 4.849 4.340 -0.000 0.000 0.273 293 Q C -0.998 175.183 176.000 0.301 0.000 1.077 293 Q CA -0.776 55.185 55.803 0.264 0.000 0.843 293 Q CB 2.463 31.306 28.738 0.175 0.000 1.367 293 Q HN 0.630 nan 8.270 nan 0.000 0.449 294 R N 0.847 121.449 120.500 0.170 0.000 2.428 294 R HA 0.604 4.944 4.340 -0.000 0.000 0.294 294 R C -0.720 175.518 176.300 -0.103 0.000 1.000 294 R CA -0.261 55.798 56.100 -0.068 0.000 0.960 294 R CB 0.589 30.826 30.300 -0.105 0.000 1.076 294 R HN 0.508 nan 8.270 nan 0.000 0.475 295 L N 2.875 123.991 121.223 -0.178 0.000 2.334 295 L HA 0.529 4.868 4.340 -0.000 0.000 0.270 295 L C -0.112 176.683 176.870 -0.125 0.000 1.018 295 L CA -0.696 54.058 54.840 -0.144 0.000 0.811 295 L CB 1.814 43.774 42.059 -0.165 0.000 1.271 295 L HN 0.772 nan 8.230 nan 0.000 0.443 296 E N 0.048 120.152 120.200 -0.161 0.000 2.433 296 E HA 0.449 4.799 4.350 -0.000 0.000 0.273 296 E C -1.998 174.464 176.600 -0.231 0.000 0.950 296 E CA -0.934 55.420 56.400 -0.077 0.000 0.796 296 E CB 1.665 31.355 29.700 -0.016 0.000 1.330 296 E HN 0.359 nan 8.360 nan 0.000 0.455 297 W N 0.622 121.863 121.300 -0.099 0.000 2.627 297 W HA 0.577 5.237 4.660 -0.000 0.000 0.339 297 W C -0.425 176.076 176.519 -0.031 0.000 1.058 297 W CA -0.588 56.700 57.345 -0.095 0.000 1.223 297 W CB 2.069 31.381 29.460 -0.247 0.000 1.389 297 W HN 0.470 nan 8.180 nan 0.000 0.541 298 K N 2.331 122.894 120.400 0.271 0.000 2.690 298 K HA 0.114 4.434 4.320 -0.000 0.000 0.264 298 K C -1.022 175.722 176.600 0.240 0.000 1.040 298 K CA -0.322 56.042 56.287 0.129 0.000 0.946 298 K CB 0.651 33.044 32.500 -0.177 0.000 1.268 298 K HN 0.511 nan 8.250 nan 0.000 0.473 299 D N 3.263 123.764 120.400 0.170 0.000 2.708 299 D HA -0.190 4.449 4.640 -0.000 0.000 0.236 299 D C 0.560 176.935 176.300 0.125 0.000 1.146 299 D CA 2.017 56.110 54.000 0.156 0.000 0.662 299 D CB -1.043 39.861 40.800 0.174 0.000 1.059 299 D HN 1.106 nan 8.370 nan 0.000 0.428 300 G N -1.411 107.473 108.800 0.141 0.000 2.143 300 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.248 300 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.248 300 G C -0.108 174.792 174.900 -0.001 0.000 0.991 300 G CA 0.377 45.507 45.100 0.050 0.000 0.689 300 G HN 0.376 nan 8.290 nan 0.000 0.522 301 W N 0.430 121.907 121.300 0.294 0.000 2.883 301 W HA 0.569 5.229 4.660 -0.000 0.000 0.335 301 W C -2.144 174.145 176.519 -0.382 0.000 1.083 301 W CA -2.569 54.751 57.345 -0.042 0.000 1.233 301 W CB 2.216 31.482 29.460 -0.324 0.000 1.412 301 W HN -0.036 nan 8.180 nan 0.000 0.490 302 P HA 0.232 nan 4.420 nan 0.000 0.282 302 P C -1.476 175.595 177.300 -0.382 0.000 1.249 302 P CA -0.123 62.303 63.100 -1.124 0.000 0.806 302 P CB 1.228 32.036 31.700 -1.486 0.000 0.984 303 Y N -0.036 120.052 120.300 -0.354 0.000 2.425 303 Y HA 0.267 4.817 4.550 -0.000 0.000 0.344 303 Y C 0.300 176.088 175.900 -0.186 0.000 0.969 303 Y CA -1.284 56.718 58.100 -0.163 0.000 1.052 303 Y CB 2.168 40.578 38.460 -0.083 0.000 1.215 303 Y HN 0.028 nan 8.280 nan 0.000 0.451 304 V N 4.686 124.579 119.914 -0.035 0.000 2.479 304 V HA 0.040 4.160 4.120 -0.000 0.000 0.281 304 V C 0.074 176.166 176.094 -0.003 0.000 1.031 304 V CA -0.536 61.736 62.300 -0.045 0.000 1.038 304 V CB 0.514 32.291 31.823 -0.076 0.000 0.981 304 V HN 0.495 nan 8.190 nan 0.000 0.478 305 V N 5.101 125.006 119.914 -0.015 0.000 2.585 305 V HA 0.434 4.554 4.120 -0.000 0.000 0.296 305 V C 1.264 177.352 176.094 -0.010 0.000 1.035 305 V CA 1.222 63.517 62.300 -0.009 0.000 1.084 305 V CB 0.418 32.232 31.823 -0.016 0.000 0.953 305 V HN 1.297 nan 8.190 nan 0.000 0.483 306 G N 3.260 112.052 108.800 -0.013 0.000 2.142 306 G HA2 0.241 4.201 3.960 -0.000 0.000 0.225 306 G HA3 0.241 4.201 3.960 -0.000 0.000 0.225 306 G C 0.669 175.535 174.900 -0.057 0.000 1.015 306 G CA -0.002 45.080 45.100 -0.030 0.000 0.716 306 G HN 2.311 nan 8.290 nan 0.000 0.508 307 G N -0.274 108.509 108.800 -0.028 0.000 2.796 307 G HA2 0.130 4.090 3.960 -0.000 0.000 0.571 307 G HA3 0.130 4.090 3.960 -0.000 0.000 0.571 307 G C 0.532 175.406 174.900 -0.044 0.000 1.370 307 G CA 0.445 45.533 45.100 -0.021 0.000 0.856 307 G HN 1.896 nan 8.290 nan 0.000 0.538 308 N N 0.462 119.161 118.700 -0.001 0.000 2.461 308 N HA 0.244 4.983 4.740 -0.000 0.000 0.188 308 N C 1.043 176.537 175.510 -0.026 0.000 1.134 308 N CA 1.394 54.437 53.050 -0.012 0.000 0.878 308 N CB -0.184 38.304 38.487 0.001 0.000 0.972 308 N HN 1.267 nan 8.380 nan 0.000 0.456 309 G N 0.826 109.489 108.800 -0.228 0.000 2.504 309 G HA2 0.429 4.389 3.960 -0.000 0.000 0.288 309 G HA3 0.429 4.389 3.960 -0.000 0.000 0.288 309 G C -2.725 172.034 174.900 -0.235 0.000 1.182 309 G CA -1.171 43.696 45.100 -0.389 0.000 0.894 309 G HN 0.160 nan 8.290 nan 0.000 0.521 310 P HA 0.235 nan 4.420 nan 0.000 0.280 310 P C -0.335 176.950 177.300 -0.024 0.000 1.244 310 P CA -0.269 62.799 63.100 -0.052 0.000 0.784 310 P CB 1.480 33.206 31.700 0.044 0.000 0.913 311 S N 2.373 118.083 115.700 0.016 0.000 2.562 311 S HA 0.129 4.599 4.470 -0.000 0.000 0.275 311 S C 1.327 175.965 174.600 0.064 0.000 1.281 311 S CA -0.448 57.766 58.200 0.023 0.000 1.045 311 S CB 0.628 63.844 63.200 0.026 0.000 0.962 311 S HN 0.408 nan 8.310 nan 0.000 0.503 312 L N 2.370 123.624 121.223 0.051 0.000 2.201 312 L HA 0.199 4.538 4.340 -0.000 0.000 0.212 312 L C 0.752 177.658 176.870 0.061 0.000 1.105 312 L CA 1.583 56.460 54.840 0.063 0.000 0.775 312 L CB -0.132 41.961 42.059 0.055 0.000 0.913 312 L HN 0.773 nan 8.230 nan 0.000 0.440 313 E N -0.279 119.954 120.200 0.055 0.000 2.290 313 E HA 0.471 4.821 4.350 -0.000 0.000 0.274 313 E C -1.148 175.490 176.600 0.063 0.000 0.889 313 E CA -0.670 55.763 56.400 0.055 0.000 0.760 313 E CB 1.584 31.310 29.700 0.044 0.000 1.206 313 E HN 0.220 nan 8.360 nan 0.000 0.419 314 I N -0.234 120.384 120.570 0.080 0.000 3.108 314 I HA 0.596 4.766 4.170 -0.000 0.000 0.312 314 I C -0.954 175.226 176.117 0.106 0.000 1.095 314 I CA -1.025 60.339 61.300 0.106 0.000 1.000 314 I CB 2.180 40.279 38.000 0.165 0.000 1.229 314 I HN 0.251 nan 8.210 nan 0.000 0.454 315 D N 3.040 123.517 120.400 0.129 0.000 2.277 315 D HA 0.348 4.988 4.640 -0.000 0.000 0.249 315 D C 0.271 176.698 176.300 0.211 0.000 1.134 315 D CA 0.136 54.211 54.000 0.125 0.000 0.863 315 D CB 1.839 42.700 40.800 0.101 0.000 1.143 315 D HN 0.856 nan 8.370 nan 0.000 0.458 316 G N 2.479 111.344 108.800 0.108 0.000 2.651 316 G HA2 0.323 4.283 3.960 -0.000 0.000 0.260 316 G HA3 0.323 4.283 3.960 -0.000 0.000 0.260 316 G C -2.233 172.736 174.900 0.115 0.000 1.216 316 G CA -0.764 44.350 45.100 0.023 0.000 0.913 316 G HN 0.278 nan 8.290 nan 0.000 0.535 317 P HA 0.144 nan 4.420 nan 0.000 0.274 317 P C 0.188 177.485 177.300 -0.005 0.000 1.237 317 P CA -0.274 62.877 63.100 0.085 0.000 0.793 317 P CB 1.109 32.754 31.700 -0.092 0.000 0.977 318 S N 0.374 116.081 115.700 0.011 0.000 4.175 318 S HA 0.324 4.793 4.470 -0.000 0.000 0.193 318 S C 0.507 175.091 174.600 -0.026 0.000 1.373 318 S CA -0.586 57.610 58.200 -0.006 0.000 0.908 318 S CB -1.599 61.605 63.200 0.008 0.000 1.547 318 S HN 0.412 nan 8.310 nan 0.000 0.440 319 V N -1.984 117.906 119.914 -0.040 0.000 2.914 319 V HA 0.591 4.711 4.120 -0.000 0.000 0.314 319 V C -0.101 175.967 176.094 -0.044 0.000 1.084 319 V CA -1.222 61.067 62.300 -0.018 0.000 0.963 319 V CB 1.652 33.479 31.823 0.006 0.000 1.025 319 V HN 0.400 nan 8.190 nan 0.000 0.432 320 E N 1.953 122.131 120.200 -0.037 0.000 2.465 320 E HA 0.045 4.395 4.350 -0.000 0.000 0.260 320 E C 0.038 176.572 176.600 -0.110 0.000 0.980 320 E CA 0.434 56.794 56.400 -0.065 0.000 0.927 320 E CB 0.906 30.572 29.700 -0.057 0.000 0.934 320 E HN 0.923 nan 8.360 nan 0.000 0.459 321 E N 1.965 122.087 120.200 -0.129 0.000 2.384 321 E HA 0.076 4.425 4.350 -0.000 0.000 0.266 321 E C -1.059 175.393 176.600 -0.247 0.000 1.012 321 E CA -0.209 56.081 56.400 -0.184 0.000 0.901 321 E CB 0.670 30.275 29.700 -0.157 0.000 0.967 321 E HN 0.063 nan 8.360 nan 0.000 0.435 322 V N 4.584 124.278 119.914 -0.368 0.000 2.325 322 V HA 0.184 4.304 4.120 -0.000 0.000 0.280 322 V C -0.376 175.208 176.094 -0.851 0.000 1.016 322 V CA -0.731 61.227 62.300 -0.570 0.000 0.818 322 V CB 1.364 32.808 31.823 -0.633 0.000 1.019 322 V HN 0.638 nan 8.190 nan 0.000 0.434 323 S N 3.587 118.905 115.700 -0.636 0.000 2.601 323 S HA 0.568 5.038 4.470 -0.000 0.000 0.271 323 S C -0.708 173.512 174.600 -0.633 0.000 1.305 323 S CA -0.387 57.482 58.200 -0.551 0.000 1.022 323 S CB 0.803 63.855 63.200 -0.248 0.000 0.940 323 S HN 0.638 nan 8.310 nan 0.000 0.525 324 W N 0.970 122.269 121.300 -0.001 0.000 2.627 324 W HA 0.441 5.101 4.660 -0.000 0.000 0.339 324 W C 0.371 176.913 176.519 0.039 0.000 1.058 324 W CA -0.882 56.481 57.345 0.030 0.000 1.223 324 W CB 0.563 30.060 29.460 0.062 0.000 1.389 324 W HN 0.594 nan 8.180 nan 0.000 0.541 325 E N 2.718 123.100 120.200 0.303 0.000 2.392 325 E HA -0.004 4.346 4.350 -0.000 0.000 0.264 325 E C 0.072 176.782 176.600 0.184 0.000 1.024 325 E CA -0.406 56.100 56.400 0.177 0.000 0.903 325 E CB 0.668 30.448 29.700 0.134 0.000 0.963 325 E HN 0.336 nan 8.360 nan 0.000 0.432 326 K N 2.691 123.159 120.400 0.114 0.000 2.511 326 K HA -0.099 4.221 4.320 -0.000 0.000 0.280 326 K C -0.014 176.656 176.600 0.116 0.000 1.008 326 K CA 0.459 56.803 56.287 0.094 0.000 1.050 326 K CB 0.364 32.837 32.500 -0.044 0.000 0.889 326 K HN 0.483 nan 8.250 nan 0.000 0.484 327 D N 3.675 124.224 120.400 0.249 0.000 2.388 327 D HA 0.028 4.667 4.640 -0.000 0.000 0.221 327 D C -0.615 175.863 176.300 0.297 0.000 1.133 327 D CA -0.099 54.052 54.000 0.252 0.000 0.831 327 D CB -0.348 40.656 40.800 0.341 0.000 0.962 327 D HN 0.482 nan 8.370 nan 0.000 0.502 328 Y N -2.319 118.053 120.300 0.120 0.000 2.609 328 Y HA 0.566 5.116 4.550 -0.000 0.000 0.336 328 Y C -1.507 174.430 175.900 0.060 0.000 1.129 328 Y CA -1.475 56.677 58.100 0.087 0.000 1.040 328 Y CB 0.880 39.441 38.460 0.169 0.000 1.310 328 Y HN -0.367 nan 8.280 nan 0.000 0.460 329 D N 2.529 122.959 120.400 0.050 0.000 2.277 329 D HA 0.084 4.724 4.640 -0.000 0.000 0.249 329 D C 0.826 177.127 176.300 0.002 0.000 1.134 329 D CA -0.020 53.950 54.000 -0.050 0.000 0.863 329 D CB 1.909 42.712 40.800 0.005 0.000 1.143 329 D HN 0.944 nan 8.370 nan 0.000 0.458 330 E N 2.912 123.033 120.200 -0.131 0.000 2.086 330 E HA -0.237 4.112 4.350 -0.000 0.000 0.200 330 E C 0.238 176.875 176.600 0.060 0.000 1.012 330 E CA 1.212 57.607 56.400 -0.009 0.000 0.812 330 E CB 0.274 29.923 29.700 -0.084 0.000 0.743 330 E HN 0.218 nan 8.360 nan 0.000 0.453 331 K N 1.274 121.664 120.400 -0.016 0.000 2.414 331 K HA 0.058 4.378 4.320 -0.000 0.000 0.251 331 K C -1.334 175.243 176.600 -0.038 0.000 1.037 331 K CA -0.526 55.732 56.287 -0.047 0.000 0.980 331 K CB 1.003 33.389 32.500 -0.191 0.000 1.280 331 K HN -0.100 nan 8.250 nan 0.000 0.451 332 D N 3.610 124.019 120.400 0.015 0.000 2.359 332 D HA 0.012 4.652 4.640 -0.000 0.000 0.250 332 D C 0.016 176.133 176.300 -0.306 0.000 1.264 332 D CA 0.037 53.971 54.000 -0.110 0.000 0.911 332 D CB 0.920 41.675 40.800 -0.075 0.000 1.056 332 D HN 0.519 nan 8.370 nan 0.000 0.499 333 D N 3.118 123.427 120.400 -0.151 0.000 2.363 333 D HA -0.096 4.544 4.640 -0.000 0.000 0.226 333 D C 0.388 176.718 176.300 0.050 0.000 1.020 333 D CA 0.102 54.069 54.000 -0.054 0.000 0.892 333 D CB -0.036 40.760 40.800 -0.007 0.000 0.900 333 D HN 0.431 nan 8.370 nan 0.000 0.531 334 F N 0.415 120.457 119.950 0.153 0.000 3.074 334 F HA -0.209 4.318 4.527 -0.000 0.000 0.287 334 F C 0.917 176.775 175.800 0.096 0.000 0.932 334 F CA -0.086 57.991 58.000 0.128 0.000 0.995 334 F CB -2.049 37.025 39.000 0.123 0.000 0.966 334 F HN 0.015 nan 8.300 nan 0.000 0.721 335 D N -0.511 120.017 120.400 0.213 0.000 2.354 335 D HA 0.123 4.763 4.640 -0.000 0.000 0.209 335 D C 1.790 178.170 176.300 0.134 0.000 1.015 335 D CA 1.019 55.109 54.000 0.151 0.000 0.867 335 D CB 0.092 40.952 40.800 0.099 0.000 0.933 335 D HN 0.458 nan 8.370 nan 0.000 0.520 336 G N 1.267 110.158 108.800 0.151 0.000 2.634 336 G HA2 0.054 4.014 3.960 -0.000 0.000 0.255 336 G HA3 0.054 4.014 3.960 -0.000 0.000 0.255 336 G C 0.846 175.812 174.900 0.110 0.000 1.205 336 G CA -0.302 44.868 45.100 0.117 0.000 0.884 336 G HN 0.028 nan 8.290 nan 0.000 0.549 337 D N -1.580 118.866 120.400 0.077 0.000 2.213 337 D HA -0.047 4.592 4.640 -0.000 0.000 0.205 337 D C 1.056 177.392 176.300 0.060 0.000 0.961 337 D CA 1.170 55.207 54.000 0.061 0.000 0.853 337 D CB -0.132 40.693 40.800 0.042 0.000 0.967 337 D HN 0.438 nan 8.370 nan 0.000 0.496 338 T N -1.377 113.216 114.554 0.066 0.000 2.907 338 T HA 0.542 4.892 4.350 -0.000 0.000 0.292 338 T C 0.052 174.817 174.700 0.108 0.000 1.043 338 T CA -0.944 61.196 62.100 0.065 0.000 1.003 338 T CB 2.261 71.155 68.868 0.043 0.000 1.084 338 T HN -0.046 nan 8.240 nan 0.000 0.483 339 L N 2.940 124.235 121.223 0.120 0.000 2.490 339 L HA 0.162 4.501 4.340 -0.000 0.000 0.274 339 L C 1.462 178.475 176.870 0.239 0.000 1.201 339 L CA -0.429 54.544 54.840 0.223 0.000 0.869 339 L CB 0.242 42.399 42.059 0.163 0.000 1.123 339 L HN 0.775 nan 8.230 nan 0.000 0.484 340 N N 2.609 121.507 118.700 0.330 0.000 2.353 340 N HA -0.132 4.608 4.740 -0.000 0.000 0.248 340 N C 1.031 176.580 175.510 0.065 0.000 1.240 340 N CA 0.096 53.211 53.050 0.107 0.000 0.862 340 N CB 0.503 39.025 38.487 0.058 0.000 1.086 340 N HN 0.730 nan 8.380 nan 0.000 0.453 341 H N 1.858 120.828 119.070 -0.166 0.000 2.563 341 H HA 0.018 4.573 4.556 -0.000 0.000 0.272 341 H C 0.284 175.388 175.328 -0.374 0.000 1.005 341 H CA 0.176 56.076 56.048 -0.247 0.000 1.171 341 H CB 0.039 29.631 29.762 -0.284 0.000 1.351 341 H HN 0.565 nan 8.280 nan 0.000 0.602 342 H N 0.310 119.364 119.070 -0.025 0.000 2.551 342 H HA 0.057 4.613 4.556 -0.000 0.000 0.266 342 H C -0.164 174.957 175.328 -0.345 0.000 0.964 342 H CA -0.137 55.733 56.048 -0.297 0.000 1.180 342 H CB -0.010 29.455 29.762 -0.495 0.000 1.408 342 H HN 0.244 nan 8.280 nan 0.000 0.563 343 F N 2.034 121.969 119.950 -0.025 0.000 2.456 343 F HA 0.249 4.776 4.527 -0.000 0.000 0.358 343 F C 0.812 176.589 175.800 -0.038 0.000 1.095 343 F CA -0.120 57.833 58.000 -0.079 0.000 1.216 343 F CB 0.788 39.739 39.000 -0.082 0.000 1.125 343 F HN -0.058 nan 8.300 nan 0.000 0.549 344 Q N 0.643 120.561 119.800 0.195 0.000 2.528 344 Q HA 0.623 4.963 4.340 -0.000 0.000 0.289 344 Q C -0.671 175.443 176.000 0.190 0.000 1.091 344 Q CA -1.117 54.806 55.803 0.199 0.000 0.797 344 Q CB 2.739 31.632 28.738 0.257 0.000 1.466 344 Q HN 0.697 nan 8.270 nan 0.000 0.436 345 T N -2.295 112.399 114.554 0.233 0.000 2.930 345 T HA 0.623 4.973 4.350 -0.000 0.000 0.290 345 T C -0.325 174.404 174.700 0.050 0.000 1.052 345 T CA -0.856 61.300 62.100 0.094 0.000 1.017 345 T CB 0.658 69.547 68.868 0.034 0.000 1.137 345 T HN 0.379 nan 8.240 nan 0.000 0.511 346 L N 2.699 123.804 121.223 -0.197 0.000 2.315 346 L HA 0.418 4.758 4.340 -0.000 0.000 0.283 346 L C 1.414 178.150 176.870 -0.224 0.000 1.089 346 L CA -0.308 54.284 54.840 -0.412 0.000 0.833 346 L CB 0.162 41.934 42.059 -0.478 0.000 1.170 346 L HN 0.889 nan 8.230 nan 0.000 0.442 347 R N 1.426 121.827 120.500 -0.164 0.000 2.248 347 R HA -0.255 4.085 4.340 -0.000 0.000 0.154 347 R C 0.056 176.258 176.300 -0.164 0.000 0.881 347 R CA 2.117 58.150 56.100 -0.111 0.000 1.877 347 R CB -1.224 28.966 30.300 -0.183 0.000 0.832 347 R HN 0.721 nan 8.270 nan 0.000 0.665 348 I N -1.358 119.030 120.570 -0.303 0.000 2.785 348 I HA 0.651 4.821 4.170 -0.000 0.000 0.302 348 I C -2.699 173.021 176.117 -0.662 0.000 1.069 348 I CA -2.817 58.120 61.300 -0.605 0.000 1.045 348 I CB 2.551 40.344 38.000 -0.345 0.000 1.236 348 I HN -0.215 nan 8.210 nan 0.000 0.429 349 P HA 0.318 nan 4.420 nan 0.000 0.274 349 P C -1.175 176.011 177.300 -0.191 0.000 1.231 349 P CA -0.199 62.686 63.100 -0.359 0.000 0.790 349 P CB 1.276 32.829 31.700 -0.245 0.000 0.951 350 L N 1.569 122.743 121.223 -0.083 0.000 2.307 350 L HA 0.557 4.897 4.340 -0.000 0.000 0.284 350 L C 1.281 178.123 176.870 -0.047 0.000 1.023 350 L CA -0.671 54.126 54.840 -0.072 0.000 0.810 350 L CB 1.581 43.602 42.059 -0.063 0.000 1.231 350 L HN 0.440 nan 8.230 nan 0.000 0.423 351 G N 0.705 109.476 108.800 -0.049 0.000 2.580 351 G HA2 0.156 4.115 3.960 -0.000 0.000 0.278 351 G HA3 0.156 4.115 3.960 -0.000 0.000 0.278 351 G C 0.547 175.431 174.900 -0.026 0.000 1.212 351 G CA -0.355 44.722 45.100 -0.038 0.000 0.939 351 G HN 0.707 nan 8.290 nan 0.000 0.513 352 E N 0.271 120.457 120.200 -0.024 0.000 2.333 352 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 352 E C 1.899 178.482 176.600 -0.028 0.000 1.007 352 E CA 1.215 57.607 56.400 -0.013 0.000 0.845 352 E CB 0.072 29.762 29.700 -0.018 0.000 0.766 352 E HN 0.700 nan 8.360 nan 0.000 0.507 353 D N -0.002 120.351 120.400 -0.077 0.000 2.312 353 D HA -0.107 4.533 4.640 -0.000 0.000 0.211 353 D C 1.773 178.005 176.300 -0.112 0.000 0.964 353 D CA 0.592 54.489 54.000 -0.173 0.000 0.877 353 D CB -0.113 40.592 40.800 -0.159 0.000 0.924 353 D HN 0.286 nan 8.370 nan 0.000 0.515 354 I N -0.047 120.536 120.570 0.020 0.000 3.345 354 I HA 0.224 4.394 4.170 -0.000 0.000 0.258 354 I C 0.828 177.029 176.117 0.140 0.000 1.134 354 I CA 0.130 61.489 61.300 0.100 0.000 1.457 354 I CB 0.232 38.238 38.000 0.011 0.000 1.425 354 I HN -0.048 nan 8.210 nan 0.000 0.461 355 A N 0.599 123.445 122.820 0.044 0.000 2.311 355 A HA 0.678 4.998 4.320 -0.000 0.000 0.306 355 A C -0.466 177.112 177.584 -0.010 0.000 1.189 355 A CA -0.211 51.819 52.037 -0.013 0.000 0.791 355 A CB 0.995 19.941 19.000 -0.090 0.000 1.172 355 A HN 0.128 nan 8.150 nan 0.000 0.481 356 T N 2.583 117.130 114.554 -0.012 0.000 2.991 356 T HA 0.459 4.809 4.350 -0.000 0.000 0.303 356 T C 0.206 174.882 174.700 -0.040 0.000 1.015 356 T CA -0.442 61.656 62.100 -0.005 0.000 1.007 356 T CB 0.484 69.385 68.868 0.055 0.000 1.034 356 T HN 0.444 nan 8.240 nan 0.000 0.446 357 L N 3.761 124.965 121.223 -0.031 0.000 2.591 357 L HA 0.310 4.649 4.340 -0.000 0.000 0.228 357 L C 2.160 179.051 176.870 0.035 0.000 1.133 357 L CA 0.362 55.197 54.840 -0.008 0.000 0.880 357 L CB -0.024 42.048 42.059 0.021 0.000 1.033 357 L HN 0.581 nan 8.230 nan 0.000 0.450 358 K N -0.188 120.227 120.400 0.025 0.000 2.276 358 K HA 0.144 4.464 4.320 -0.000 0.000 0.198 358 K C 2.272 178.886 176.600 0.023 0.000 1.052 358 K CA 0.746 57.051 56.287 0.030 0.000 0.984 358 K CB 0.081 32.594 32.500 0.022 0.000 0.836 358 K HN 0.180 nan 8.250 nan 0.000 0.490 359 A N 1.422 124.249 122.820 0.011 0.000 1.865 359 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 359 A C 1.214 178.778 177.584 -0.033 0.000 1.191 359 A CA 1.259 53.286 52.037 -0.017 0.000 0.623 359 A CB -0.065 18.913 19.000 -0.037 0.000 0.826 359 A HN 0.061 nan 8.150 nan 0.000 0.444 360 R N -0.063 120.425 120.500 -0.021 0.000 2.435 360 R HA 0.351 4.691 4.340 -0.000 0.000 0.308 360 R C -3.185 173.190 176.300 0.125 0.000 0.975 360 R CA -2.402 53.692 56.100 -0.009 0.000 0.867 360 R CB 1.104 31.323 30.300 -0.133 0.000 1.171 360 R HN 0.096 nan 8.270 nan 0.000 0.470 361 P HA 0.007 nan 4.420 nan 0.000 0.264 361 P C 0.530 178.029 177.300 0.331 0.000 1.183 361 P CA 0.915 64.128 63.100 0.188 0.000 0.763 361 P CB 0.592 32.374 31.700 0.138 0.000 0.807 362 G N 1.030 109.988 108.800 0.264 0.000 2.155 362 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.257 362 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.257 362 G C -0.136 174.854 174.900 0.149 0.000 0.983 362 G CA 0.110 45.343 45.100 0.221 0.000 0.676 362 G HN 0.696 nan 8.290 nan 0.000 0.528 363 H N -1.783 117.418 119.070 0.219 0.000 2.768 363 H HA 0.637 5.193 4.556 -0.000 0.000 0.371 363 H C -0.352 174.962 175.328 -0.023 0.000 1.151 363 H CA -0.842 55.323 56.048 0.194 0.000 1.165 363 H CB 1.733 31.587 29.762 0.154 0.000 1.722 363 H HN 0.287 nan 8.280 nan 0.000 0.543 364 L N 2.186 123.281 121.223 -0.213 0.000 2.265 364 L HA 0.406 4.746 4.340 -0.000 0.000 0.288 364 L C -0.099 176.756 176.870 -0.026 0.000 1.058 364 L CA -0.191 54.403 54.840 -0.410 0.000 0.809 364 L CB 0.390 41.788 42.059 -1.102 0.000 1.179 364 L HN 0.585 nan 8.230 nan 0.000 0.429 365 R N 5.495 125.964 120.500 -0.052 0.000 2.294 365 R HA 0.612 4.951 4.340 -0.000 0.000 0.319 365 R C -1.582 174.670 176.300 -0.080 0.000 0.984 365 R CA -0.548 55.512 56.100 -0.065 0.000 0.861 365 R CB 0.695 30.848 30.300 -0.244 0.000 1.104 365 R HN 0.779 nan 8.270 nan 0.000 0.451 366 L N 5.826 127.048 121.223 -0.002 0.000 2.316 366 L HA 0.371 4.710 4.340 -0.000 0.000 0.280 366 L C -0.968 175.884 176.870 -0.030 0.000 1.006 366 L CA -0.942 53.899 54.840 0.002 0.000 0.836 366 L CB 1.210 43.297 42.059 0.047 0.000 1.221 366 L HN 0.629 nan 8.230 nan 0.000 0.418 367 Y N 1.485 121.827 120.300 0.070 0.000 2.436 367 Y HA 0.238 4.787 4.550 -0.000 0.000 0.336 367 Y C 1.375 177.301 175.900 0.043 0.000 1.049 367 Y CA -0.032 58.129 58.100 0.101 0.000 1.294 367 Y CB 0.952 39.448 38.460 0.059 0.000 1.179 367 Y HN 0.626 nan 8.280 nan 0.000 0.520 368 G N 4.986 113.893 108.800 0.178 0.000 2.313 368 G HA2 0.229 4.188 3.960 -0.000 0.000 0.250 368 G HA3 0.229 4.188 3.960 -0.000 0.000 0.250 368 G C 0.366 175.309 174.900 0.073 0.000 1.281 368 G CA -0.508 44.644 45.100 0.086 0.000 0.917 368 G HN 0.540 nan 8.290 nan 0.000 0.501 369 R N 1.728 122.239 120.500 0.018 0.000 2.618 369 R HA 0.328 4.668 4.340 -0.000 0.000 0.108 369 R C 0.415 176.734 176.300 0.032 0.000 1.220 369 R CA -0.528 55.583 56.100 0.018 0.000 1.020 369 R CB -0.293 30.005 30.300 -0.005 0.000 0.950 369 R HN 0.659 nan 8.270 nan 0.000 0.397 370 E N 1.019 121.238 120.200 0.033 0.000 2.322 370 E HA 0.184 4.533 4.350 -0.000 0.000 0.257 370 E C -0.024 176.632 176.600 0.094 0.000 1.155 370 E CA -0.405 56.031 56.400 0.060 0.000 0.936 370 E CB 0.692 30.431 29.700 0.065 0.000 1.130 370 E HN 0.438 nan 8.360 nan 0.000 0.465 371 S N -0.055 115.692 115.700 0.079 0.000 2.617 371 S HA 0.061 4.531 4.470 -0.000 0.000 0.259 371 S C 1.024 175.601 174.600 -0.039 0.000 1.301 371 S CA -0.438 57.783 58.200 0.035 0.000 0.984 371 S CB 0.295 63.531 63.200 0.059 0.000 0.954 371 S HN 0.511 nan 8.310 nan 0.000 0.572 372 L N 0.788 121.835 121.223 -0.292 0.000 2.456 372 L HA -0.007 4.333 4.340 -0.000 0.000 0.224 372 L C 2.439 179.277 176.870 -0.054 0.000 1.148 372 L CA 1.255 55.791 54.840 -0.508 0.000 0.825 372 L CB -0.843 40.316 42.059 -1.499 0.000 0.937 372 L HN 1.011 nan 8.230 nan 0.000 0.450 373 T N -5.320 109.314 114.554 0.133 0.000 3.144 373 T HA 0.056 4.406 4.350 -0.000 0.000 0.249 373 T C 0.782 175.581 174.700 0.165 0.000 1.089 373 T CA -0.191 62.048 62.100 0.232 0.000 0.989 373 T CB 0.122 69.140 68.868 0.250 0.000 0.992 373 T HN 0.076 nan 8.240 nan 0.000 0.540 374 S N 0.865 116.645 115.700 0.133 0.000 2.475 374 S HA 0.389 4.859 4.470 -0.000 0.000 0.281 374 S C 0.737 175.399 174.600 0.103 0.000 1.198 374 S CA -0.883 57.417 58.200 0.168 0.000 1.063 374 S CB 0.558 63.859 63.200 0.168 0.000 0.972 374 S HN 0.446 nan 8.310 nan 0.000 0.486 375 R N 3.332 123.869 120.500 0.062 0.000 2.449 375 R HA 0.224 4.564 4.340 -0.000 0.000 0.262 375 R C -0.269 175.689 176.300 -0.570 0.000 1.006 375 R CA 0.279 56.227 56.100 -0.253 0.000 1.104 375 R CB 0.075 30.161 30.300 -0.357 0.000 1.206 375 R HN 0.606 nan 8.270 nan 0.000 0.538 376 F N -1.434 118.498 119.950 -0.031 0.000 2.223 376 F HA 0.217 4.744 4.527 -0.000 0.000 0.229 376 F C 0.812 176.576 175.800 -0.061 0.000 1.066 376 F CA -0.176 57.799 58.000 -0.042 0.000 1.199 376 F CB 0.271 39.254 39.000 -0.028 0.000 1.539 376 F HN -0.359 nan 8.300 nan 0.000 0.554 377 T N 2.376 117.025 114.554 0.159 0.000 2.963 377 T HA 0.351 4.701 4.350 -0.000 0.000 0.343 377 T C -0.742 173.966 174.700 0.012 0.000 1.146 377 T CA -0.504 61.621 62.100 0.042 0.000 1.016 377 T CB 0.590 69.476 68.868 0.029 0.000 1.046 377 T HN 0.083 nan 8.240 nan 0.000 0.496 378 Q N 1.699 121.483 119.800 -0.026 0.000 2.307 378 Q HA 0.589 4.928 4.340 -0.000 0.000 0.262 378 Q C -0.307 175.615 176.000 -0.129 0.000 0.961 378 Q CA -0.836 54.929 55.803 -0.063 0.000 0.882 378 Q CB 2.102 30.830 28.738 -0.018 0.000 1.264 378 Q HN 0.731 nan 8.270 nan 0.000 0.446 379 A N 3.732 126.408 122.820 -0.241 0.000 2.915 379 A HA 0.289 4.609 4.320 -0.000 0.000 0.292 379 A C -1.077 176.299 177.584 -0.347 0.000 1.632 379 A CA 0.139 52.032 52.037 -0.240 0.000 1.337 379 A CB -0.560 18.333 19.000 -0.177 0.000 1.111 379 A HN 0.496 nan 8.150 nan 0.000 0.569 380 F N 2.167 121.878 119.950 -0.399 0.000 2.557 380 F HA 0.565 5.092 4.527 -0.000 0.000 0.316 380 F C -1.161 174.503 175.800 -0.226 0.000 1.141 380 F CA -1.497 56.299 58.000 -0.339 0.000 0.922 380 F CB 2.133 40.974 39.000 -0.265 0.000 1.194 380 F HN 0.063 nan 8.300 nan 0.000 0.443 381 V N 5.527 125.198 119.914 -0.404 0.000 2.443 381 V HA 0.875 4.995 4.120 -0.000 0.000 0.293 381 V C -0.525 175.198 176.094 -0.618 0.000 1.021 381 V CA -0.465 61.520 62.300 -0.525 0.000 0.848 381 V CB 1.070 32.534 31.823 -0.597 0.000 0.998 381 V HN 1.032 nan 8.190 nan 0.000 0.424 382 A N 5.472 128.026 122.820 -0.443 0.000 2.498 382 A HA 1.047 5.367 4.320 -0.000 0.000 0.298 382 A C -0.637 177.009 177.584 0.104 0.000 1.075 382 A CA -0.913 50.976 52.037 -0.246 0.000 0.714 382 A CB 2.155 20.845 19.000 -0.516 0.000 1.299 382 A HN 0.983 nan 8.150 nan 0.000 0.407 383 R N 0.264 120.775 120.500 0.019 0.000 2.888 383 R HA 0.770 5.110 4.340 -0.000 0.000 0.266 383 R C -0.796 175.099 176.300 -0.675 0.000 1.020 383 R CA -0.882 55.031 56.100 -0.311 0.000 0.963 383 R CB 0.885 30.874 30.300 -0.519 0.000 1.197 383 R HN 0.589 nan 8.270 nan 0.000 0.481 384 R N 0.672 120.529 120.500 -1.071 0.000 2.590 384 R HA 0.082 4.422 4.340 -0.000 0.000 0.274 384 R C -0.593 175.354 176.300 -0.588 0.000 1.061 384 R CA -0.146 55.283 56.100 -1.119 0.000 1.081 384 R CB 0.342 30.089 30.300 -0.921 0.000 0.984 384 R HN 0.473 nan 8.270 nan 0.000 0.448 385 W N 2.569 123.526 121.300 -0.572 0.000 2.347 385 W HA -0.002 4.657 4.660 -0.000 0.000 0.333 385 W C 0.815 177.091 176.519 -0.405 0.000 1.383 385 W CA 0.221 57.326 57.345 -0.400 0.000 1.283 385 W CB 0.137 29.568 29.460 -0.048 0.000 1.253 385 W HN 0.590 nan 8.180 nan 0.000 0.563 386 Q N 1.594 121.278 119.800 -0.194 0.000 2.140 386 Q HA 0.098 4.438 4.340 -0.000 0.000 0.227 386 Q C -0.660 174.990 176.000 -0.583 0.000 0.798 386 Q CA 0.099 55.685 55.803 -0.361 0.000 0.987 386 Q CB 0.749 29.205 28.738 -0.471 0.000 1.161 386 Q HN 0.528 nan 8.270 nan 0.000 0.480 387 H N -2.347 116.743 119.070 0.034 0.000 2.961 387 H HA 0.214 4.770 4.556 -0.000 0.000 0.371 387 H C -0.398 174.999 175.328 0.114 0.000 1.190 387 H CA -0.706 55.388 56.048 0.077 0.000 1.138 387 H CB 0.906 30.768 29.762 0.168 0.000 1.816 387 H HN -0.122 nan 8.280 nan 0.000 0.551 388 F N -0.186 119.957 119.950 0.322 0.000 2.325 388 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 388 F C 0.737 176.424 175.800 -0.187 0.000 1.090 388 F CA 0.872 58.934 58.000 0.103 0.000 1.392 388 F CB 0.253 39.263 39.000 0.017 0.000 1.053 388 F HN 0.366 nan 8.300 nan 0.000 0.521 389 H N -0.366 118.881 119.070 0.296 0.000 2.727 389 H HA 0.421 4.977 4.556 -0.000 0.000 0.330 389 H C -0.933 174.417 175.328 0.038 0.000 0.986 389 H CA -0.706 55.382 56.048 0.067 0.000 1.251 389 H CB 1.080 30.874 29.762 0.053 0.000 1.493 389 H HN 0.018 nan 8.280 nan 0.000 0.515 390 F N 0.488 120.355 119.950 -0.138 0.000 2.741 390 F HA 0.507 5.034 4.527 -0.000 0.000 0.311 390 F C -1.998 173.615 175.800 -0.312 0.000 1.149 390 F CA -1.149 56.658 58.000 -0.322 0.000 0.930 390 F CB 1.008 39.698 39.000 -0.517 0.000 1.312 390 F HN 0.217 nan 8.300 nan 0.000 0.450 391 V N 1.957 121.805 119.914 -0.108 0.000 2.513 391 V HA 0.943 5.063 4.120 -0.000 0.000 0.299 391 V C -0.853 175.261 176.094 0.034 0.000 1.035 391 V CA -0.097 62.129 62.300 -0.123 0.000 0.889 391 V CB 1.141 32.857 31.823 -0.178 0.000 0.988 391 V HN 1.508 nan 8.190 nan 0.000 0.440 392 A N 5.163 128.030 122.820 0.079 0.000 2.401 392 A HA 0.919 5.239 4.320 -0.000 0.000 0.310 392 A C -0.731 176.832 177.584 -0.035 0.000 1.075 392 A CA -0.604 51.460 52.037 0.045 0.000 0.746 392 A CB 1.762 20.937 19.000 0.291 0.000 1.277 392 A HN 0.940 nan 8.150 nan 0.000 0.425 393 E N 0.241 120.326 120.200 -0.190 0.000 2.354 393 E HA 0.569 4.919 4.350 -0.000 0.000 0.283 393 E C -1.387 175.208 176.600 -0.008 0.000 0.938 393 E CA -0.293 56.125 56.400 0.031 0.000 0.777 393 E CB 2.188 31.975 29.700 0.145 0.000 1.222 393 E HN 0.694 nan 8.360 nan 0.000 0.423 394 T N 2.015 116.644 114.554 0.125 0.000 2.838 394 T HA 0.531 4.881 4.350 -0.000 0.000 0.292 394 T C -1.761 172.852 174.700 -0.146 0.000 1.113 394 T CA -0.666 61.440 62.100 0.010 0.000 1.008 394 T CB 1.499 70.612 68.868 0.409 0.000 1.259 394 T HN 0.349 nan 8.240 nan 0.000 0.520 395 K N 2.252 122.440 120.400 -0.354 0.000 2.601 395 K HA 0.667 4.987 4.320 -0.000 0.000 0.249 395 K C -2.059 174.459 176.600 -0.136 0.000 0.966 395 K CA -0.658 55.350 56.287 -0.466 0.000 0.827 395 K CB 1.756 33.686 32.500 -0.950 0.000 1.178 395 K HN 0.403 nan 8.250 nan 0.000 0.437 396 V N 2.770 122.676 119.914 -0.015 0.000 2.709 396 V HA 0.488 4.608 4.120 -0.000 0.000 0.308 396 V C -1.255 174.871 176.094 0.053 0.000 1.062 396 V CA -0.401 61.853 62.300 -0.076 0.000 0.901 396 V CB 2.032 33.609 31.823 -0.410 0.000 1.003 396 V HN 0.813 nan 8.190 nan 0.000 0.425 397 S N 6.753 122.459 115.700 0.011 0.000 2.429 397 S HA 0.751 5.221 4.470 -0.000 0.000 0.302 397 S C -1.255 173.330 174.600 -0.025 0.000 1.115 397 S CA -0.347 57.784 58.200 -0.116 0.000 1.095 397 S CB 0.458 63.477 63.200 -0.302 0.000 0.987 397 S HN 0.761 nan 8.310 nan 0.000 0.474 398 F N 4.862 124.681 119.950 -0.219 0.000 2.604 398 F HA 0.550 5.077 4.527 -0.000 0.000 0.316 398 F C -0.808 174.887 175.800 -0.174 0.000 1.136 398 F CA -0.846 57.024 58.000 -0.216 0.000 0.989 398 F CB 1.538 40.433 39.000 -0.175 0.000 1.258 398 F HN 0.507 nan 8.300 nan 0.000 0.451 399 R N 6.064 126.097 120.500 -0.779 0.000 2.477 399 R HA 0.325 4.665 4.340 -0.000 0.000 0.285 399 R C -2.869 172.910 176.300 -0.868 0.000 1.415 399 R CA -1.727 53.986 56.100 -0.645 0.000 1.446 399 R CB 0.929 30.982 30.300 -0.411 0.000 1.110 399 R HN 0.328 nan 8.270 nan 0.000 0.590 400 P HA 0.092 nan 4.420 nan 0.000 0.275 400 P C 0.586 177.627 177.300 -0.431 0.000 1.227 400 P CA 0.011 62.713 63.100 -0.663 0.000 0.781 400 P CB 1.053 32.572 31.700 -0.301 0.000 0.906 401 T N -2.112 112.131 114.554 -0.517 0.000 3.044 401 T HA 0.216 4.566 4.350 -0.000 0.000 0.260 401 T C 0.436 174.431 174.700 -1.175 0.000 1.019 401 T CA -0.018 61.603 62.100 -0.798 0.000 0.921 401 T CB -0.159 68.376 68.868 -0.555 0.000 1.053 401 T HN 0.557 nan 8.240 nan 0.000 0.533 402 T N 0.327 114.468 114.554 -0.688 0.000 2.840 402 T HA 0.454 4.804 4.350 -0.000 0.000 0.317 402 T C -0.206 174.487 174.700 -0.012 0.000 1.401 402 T CA -0.781 61.004 62.100 -0.525 0.000 1.028 402 T CB 0.676 69.179 68.868 -0.609 0.000 1.317 402 T HN 0.085 nan 8.240 nan 0.000 0.495 403 F N 1.175 121.329 119.950 0.341 0.000 2.546 403 F HA 0.183 4.710 4.527 -0.000 0.000 0.298 403 F C 2.050 177.958 175.800 0.180 0.000 1.120 403 F CA 0.431 58.602 58.000 0.285 0.000 1.456 403 F CB -0.737 38.413 39.000 0.250 0.000 1.088 403 F HN 0.534 nan 8.300 nan 0.000 0.572 404 Q N 0.439 120.219 119.800 -0.033 0.000 2.488 404 Q HA 0.022 4.362 4.340 -0.000 0.000 0.211 404 Q C 0.099 176.154 176.000 0.092 0.000 0.967 404 Q CA 0.557 56.388 55.803 0.047 0.000 0.926 404 Q CB -0.034 28.643 28.738 -0.101 0.000 0.992 404 Q HN 0.600 nan 8.270 nan 0.000 0.506 405 Q N 0.382 120.255 119.800 0.122 0.000 2.316 405 Q HA 0.367 4.707 4.340 -0.000 0.000 0.264 405 Q C -0.876 175.336 176.000 0.353 0.000 0.987 405 Q CA -0.488 55.447 55.803 0.221 0.000 0.852 405 Q CB 2.148 30.990 28.738 0.173 0.000 1.287 405 Q HN 0.035 nan 8.270 nan 0.000 0.448 406 S N 0.327 116.219 115.700 0.320 0.000 2.564 406 S HA 0.934 5.404 4.470 -0.000 0.000 0.274 406 S C -1.349 173.139 174.600 -0.188 0.000 1.124 406 S CA -0.809 57.523 58.200 0.220 0.000 0.869 406 S CB 2.116 65.390 63.200 0.124 0.000 1.105 406 S HN 0.690 nan 8.310 nan 0.000 0.472 407 A N 0.474 123.086 122.820 -0.347 0.000 2.520 407 A HA 1.035 5.355 4.320 -0.000 0.000 0.298 407 A C 0.021 177.565 177.584 -0.066 0.000 1.051 407 A CA -0.260 51.520 52.037 -0.428 0.000 0.690 407 A CB 1.153 19.447 19.000 -1.177 0.000 1.281 407 A HN 2.216 nan 8.150 nan 0.000 0.402 408 G N -0.683 108.200 108.800 0.138 0.000 2.341 408 G HA2 0.588 4.547 3.960 -0.000 0.000 0.299 408 G HA3 0.588 4.547 3.960 -0.000 0.000 0.299 408 G C -2.178 172.920 174.900 0.330 0.000 1.274 408 G CA -0.326 44.902 45.100 0.212 0.000 0.853 408 G HN 1.615 nan 8.290 nan 0.000 0.493 409 L N 0.707 122.121 121.223 0.317 0.000 2.282 409 L HA 0.796 5.136 4.340 -0.000 0.000 0.288 409 L C -0.533 176.572 176.870 0.392 0.000 1.033 409 L CA -0.659 54.432 54.840 0.419 0.000 0.807 409 L CB 1.585 43.935 42.059 0.485 0.000 1.209 409 L HN 0.421 nan 8.230 nan 0.000 0.423 410 V N 4.770 124.951 119.914 0.446 0.000 2.540 410 V HA 0.532 4.652 4.120 -0.000 0.000 0.302 410 V C -0.459 175.993 176.094 0.597 0.000 1.035 410 V CA -0.856 61.694 62.300 0.418 0.000 0.873 410 V CB 1.811 33.732 31.823 0.163 0.000 0.992 410 V HN 0.747 nan 8.190 nan 0.000 0.428 411 N N 3.191 122.253 118.700 0.604 0.000 2.424 411 N HA 0.454 5.194 4.740 -0.000 0.000 0.271 411 N C -1.592 174.266 175.510 0.579 0.000 0.985 411 N CA -0.271 53.148 53.050 0.615 0.000 0.921 411 N CB 2.328 41.114 38.487 0.498 0.000 1.149 411 N HN 0.812 nan 8.380 nan 0.000 0.492 412 Y N 2.173 122.721 120.300 0.413 0.000 2.386 412 Y HA 0.167 4.717 4.550 -0.000 0.000 0.334 412 Y C -0.549 175.551 175.900 0.333 0.000 1.002 412 Y CA -0.671 57.688 58.100 0.431 0.000 1.068 412 Y CB 1.162 39.947 38.460 0.542 0.000 1.203 412 Y HN 0.520 nan 8.280 nan 0.000 0.443 413 Y N 4.518 124.733 120.300 -0.142 0.000 2.351 413 Y HA 0.215 4.764 4.550 -0.000 0.000 0.291 413 Y C 0.040 175.772 175.900 -0.280 0.000 1.153 413 Y CA 1.214 59.230 58.100 -0.141 0.000 1.193 413 Y CB 0.446 38.809 38.460 -0.162 0.000 1.187 413 Y HN 0.770 nan 8.280 nan 0.000 0.524 414 N N -2.704 115.754 118.700 -0.403 0.000 3.344 414 N HA 0.082 4.822 4.740 -0.000 0.000 0.296 414 N C 0.358 175.632 175.510 -0.394 0.000 1.571 414 N CA 0.182 53.006 53.050 -0.376 0.000 0.844 414 N CB 0.296 38.745 38.487 -0.063 0.000 1.718 414 N HN -0.001 nan 8.380 nan 0.000 0.589 415 T N -3.020 111.517 114.554 -0.028 0.000 2.929 415 T HA -0.122 4.228 4.350 -0.000 0.000 0.271 415 T C 0.858 175.722 174.700 0.275 0.000 1.085 415 T CA 1.385 63.596 62.100 0.184 0.000 1.125 415 T CB -0.362 68.592 68.868 0.144 0.000 0.874 415 T HN 0.590 nan 8.240 nan 0.000 0.494 416 Q N 0.557 120.386 119.800 0.049 0.000 2.247 416 Q HA 0.276 4.616 4.340 -0.000 0.000 0.211 416 Q C -0.354 175.461 176.000 -0.307 0.000 0.861 416 Q CA -0.125 55.627 55.803 -0.084 0.000 0.949 416 Q CB 0.571 29.240 28.738 -0.115 0.000 1.115 416 Q HN 0.487 nan 8.270 nan 0.000 0.507 417 N N 1.149 119.683 118.700 -0.277 0.000 2.581 417 N HA 0.212 4.952 4.740 -0.000 0.000 0.279 417 N C -1.572 173.852 175.510 -0.144 0.000 1.124 417 N CA -0.172 52.695 53.050 -0.305 0.000 0.833 417 N CB 1.460 39.811 38.487 -0.227 0.000 1.338 417 N HN 0.171 nan 8.380 nan 0.000 0.533 418 W N 0.218 121.479 121.300 -0.066 0.000 3.057 418 W HA 0.433 5.093 4.660 -0.000 0.000 0.328 418 W C -1.191 175.382 176.519 0.090 0.000 1.232 418 W CA -0.857 56.498 57.345 0.017 0.000 1.187 418 W CB 0.536 30.015 29.460 0.031 0.000 1.417 418 W HN 0.208 nan 8.180 nan 0.000 0.569 419 T N -0.714 114.164 114.554 0.540 0.000 2.906 419 T HA 0.732 5.082 4.350 -0.000 0.000 0.295 419 T C -1.172 173.798 174.700 0.450 0.000 1.075 419 T CA -0.581 61.773 62.100 0.424 0.000 1.005 419 T CB 2.547 71.534 68.868 0.198 0.000 1.136 419 T HN 0.746 nan 8.240 nan 0.000 0.498 420 T N 1.104 115.778 114.554 0.200 0.000 2.942 420 T HA 0.537 4.887 4.350 -0.000 0.000 0.327 420 T C -2.084 172.402 174.700 -0.357 0.000 1.360 420 T CA -0.703 61.396 62.100 -0.002 0.000 1.055 420 T CB 1.510 70.407 68.868 0.050 0.000 1.261 420 T HN 0.839 nan 8.240 nan 0.000 0.485 421 L N 5.517 126.433 121.223 -0.512 0.000 2.272 421 L HA 0.727 5.067 4.340 -0.000 0.000 0.289 421 L C -0.441 176.407 176.870 -0.036 0.000 1.032 421 L CA 0.130 54.776 54.840 -0.322 0.000 0.810 421 L CB 0.910 42.773 42.059 -0.325 0.000 1.205 421 L HN 0.812 nan 8.230 nan 0.000 0.422 422 Q N 4.314 124.120 119.800 0.009 0.000 2.416 422 Q HA 0.611 4.951 4.340 -0.000 0.000 0.281 422 Q C -1.479 174.580 176.000 0.099 0.000 1.067 422 Q CA -0.921 54.920 55.803 0.063 0.000 0.809 422 Q CB 1.947 30.713 28.738 0.048 0.000 1.418 422 Q HN 0.616 nan 8.270 nan 0.000 0.411 423 I N 1.775 122.435 120.570 0.150 0.000 2.365 423 I HA 0.458 4.628 4.170 -0.000 0.000 0.291 423 I C 0.123 176.427 176.117 0.311 0.000 1.004 423 I CA -0.116 61.320 61.300 0.227 0.000 1.311 423 I CB 1.734 39.925 38.000 0.319 0.000 1.401 423 I HN 0.828 nan 8.210 nan 0.000 0.491 424 T N 4.141 118.851 114.554 0.260 0.000 2.598 424 T HA 0.453 4.803 4.350 -0.000 0.000 0.289 424 T C -2.237 172.646 174.700 0.304 0.000 1.056 424 T CA -0.506 61.778 62.100 0.307 0.000 1.088 424 T CB 1.114 70.151 68.868 0.280 0.000 1.519 424 T HN 0.530 nan 8.240 nan 0.000 0.488 425 W N 1.687 123.069 121.300 0.137 0.000 2.785 425 W HA 0.664 5.323 4.660 -0.000 0.000 0.333 425 W C -1.231 175.422 176.519 0.224 0.000 1.062 425 W CA -0.498 56.916 57.345 0.115 0.000 1.233 425 W CB 1.060 30.532 29.460 0.020 0.000 1.413 425 W HN 0.684 nan 8.180 nan 0.000 0.489 426 H N 3.610 122.215 119.070 -0.776 0.000 2.637 426 H HA 0.199 4.755 4.556 -0.000 0.000 0.363 426 H C 0.343 174.875 175.328 -1.327 0.000 1.131 426 H CA -0.317 55.304 56.048 -0.712 0.000 1.183 426 H CB 2.236 31.778 29.762 -0.366 0.000 1.637 426 H HN 0.586 nan 8.280 nan 0.000 0.531 427 E N 2.414 121.787 120.200 -1.378 0.000 2.118 427 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 427 E C 1.093 177.380 176.600 -0.521 0.000 0.992 427 E CA 1.956 57.831 56.400 -0.876 0.000 0.804 427 E CB 0.362 29.806 29.700 -0.427 0.000 0.741 427 E HN 0.705 nan 8.360 nan 0.000 0.458 428 E N -0.363 119.595 120.200 -0.402 0.000 2.152 428 E HA 0.088 4.437 4.350 -0.000 0.000 0.195 428 E C 1.688 178.269 176.600 -0.031 0.000 0.934 428 E CA 0.274 56.619 56.400 -0.090 0.000 0.869 428 E CB 0.156 29.878 29.700 0.036 0.000 0.842 428 E HN 0.001 nan 8.360 nan 0.000 0.472 429 K N 0.601 121.065 120.400 0.106 0.000 2.288 429 K HA 0.076 4.396 4.320 -0.000 0.000 0.201 429 K C 1.085 177.617 176.600 -0.112 0.000 1.048 429 K CA 0.634 56.908 56.287 -0.023 0.000 0.956 429 K CB 0.125 32.572 32.500 -0.089 0.000 0.746 429 K HN 0.223 nan 8.250 nan 0.000 0.461 430 G N 2.106 110.737 108.800 -0.282 0.000 2.498 430 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.251 430 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.251 430 G C -0.646 174.084 174.900 -0.283 0.000 1.170 430 G CA -0.058 44.827 45.100 -0.358 0.000 0.944 430 G HN 0.358 nan 8.290 nan 0.000 0.567 431 R N 1.106 121.592 120.500 -0.023 0.000 2.421 431 R HA 0.445 4.785 4.340 -0.000 0.000 0.305 431 R C 0.410 176.716 176.300 0.009 0.000 1.039 431 R CA 0.584 56.718 56.100 0.056 0.000 1.003 431 R CB -0.609 29.727 30.300 0.058 0.000 0.959 431 R HN 0.878 nan 8.270 nan 0.000 0.427 432 I N 1.184 121.776 120.570 0.037 0.000 2.934 432 I HA 0.444 4.613 4.170 -0.000 0.000 0.306 432 I C -1.546 174.598 176.117 0.045 0.000 1.110 432 I CA -1.502 59.807 61.300 0.016 0.000 1.019 432 I CB 1.813 39.796 38.000 -0.029 0.000 1.227 432 I HN 0.365 nan 8.210 nan 0.000 0.434 433 L N 3.786 125.011 121.223 0.003 0.000 2.296 433 L HA 0.611 4.951 4.340 -0.000 0.000 0.286 433 L C -0.372 176.480 176.870 -0.031 0.000 1.023 433 L CA 0.398 55.226 54.840 -0.020 0.000 0.812 433 L CB 1.072 43.051 42.059 -0.133 0.000 1.223 433 L HN 0.932 nan 8.230 nan 0.000 0.421 434 E N 4.331 124.536 120.200 0.007 0.000 2.429 434 E HA 0.586 4.936 4.350 -0.000 0.000 0.276 434 E C -1.669 174.946 176.600 0.026 0.000 0.953 434 E CA -0.984 55.428 56.400 0.020 0.000 0.787 434 E CB 1.562 31.286 29.700 0.039 0.000 1.307 434 E HN 0.490 nan 8.360 nan 0.000 0.458 435 L N 1.547 122.803 121.223 0.056 0.000 2.322 435 L HA 0.618 4.958 4.340 -0.000 0.000 0.279 435 L C -0.145 176.794 176.870 0.115 0.000 1.036 435 L CA -0.774 54.109 54.840 0.072 0.000 0.807 435 L CB 1.585 43.763 42.059 0.198 0.000 1.226 435 L HN 0.611 nan 8.230 nan 0.000 0.433 436 M N 2.324 122.004 119.600 0.134 0.000 2.433 436 M HA 0.516 4.996 4.480 -0.000 0.000 0.290 436 M C -1.104 175.326 176.300 0.216 0.000 1.173 436 M CA -0.264 55.151 55.300 0.193 0.000 0.905 436 M CB 2.566 35.321 32.600 0.257 0.000 1.692 436 M HN 0.715 nan 8.290 nan 0.000 0.462 437 T N 0.284 114.888 114.554 0.084 0.000 2.906 437 T HA 0.723 5.073 4.350 -0.000 0.000 0.295 437 T C -1.414 173.016 174.700 -0.450 0.000 1.075 437 T CA -0.752 61.301 62.100 -0.079 0.000 1.005 437 T CB 1.705 70.626 68.868 0.088 0.000 1.136 437 T HN 0.851 nan 8.240 nan 0.000 0.498 438 C N 2.593 121.410 119.300 -0.806 0.000 2.481 438 C HA 0.755 5.215 4.460 -0.000 0.000 0.324 438 C C -1.680 172.987 174.990 -0.539 0.000 1.170 438 C CA -0.402 58.073 59.018 -0.904 0.000 1.361 438 C CB 0.502 27.113 27.740 -1.881 0.000 1.977 438 C HN 1.042 nan 8.230 nan 0.000 0.459 439 D N 3.316 123.561 120.400 -0.259 0.000 2.542 439 D HA 0.324 4.964 4.640 -0.000 0.000 0.252 439 D C -0.031 176.299 176.300 0.050 0.000 1.222 439 D CA -0.057 53.917 54.000 -0.043 0.000 0.895 439 D CB 0.428 41.271 40.800 0.072 0.000 1.207 439 D HN 0.817 nan 8.370 nan 0.000 0.558 440 H N 3.123 122.116 119.070 -0.128 0.000 2.655 440 H HA -0.222 4.333 4.556 -0.000 0.000 0.313 440 H C 1.282 176.555 175.328 -0.090 0.000 1.141 440 H CA 0.786 56.766 56.048 -0.113 0.000 1.138 440 H CB -0.945 28.743 29.762 -0.123 0.000 1.446 440 H HN 0.425 nan 8.280 nan 0.000 0.415 441 L N -3.236 117.947 121.223 -0.068 0.000 4.342 441 L HA -0.235 4.105 4.340 -0.000 0.000 0.395 441 L C -0.005 176.835 176.870 -0.050 0.000 0.764 441 L CA 1.474 56.287 54.840 -0.045 0.000 2.417 441 L CB -0.855 41.209 42.059 0.009 0.000 1.210 441 L HN 0.199 nan 8.230 nan 0.000 0.626 442 V N 1.400 121.286 119.914 -0.047 0.000 2.479 442 V HA 0.313 4.433 4.120 -0.000 0.000 0.281 442 V C 0.663 176.701 176.094 -0.093 0.000 1.031 442 V CA -0.034 62.241 62.300 -0.043 0.000 1.038 442 V CB 1.066 32.879 31.823 -0.017 0.000 0.981 442 V HN 0.071 nan 8.190 nan 0.000 0.478 443 V N 4.585 124.458 119.914 -0.068 0.000 2.472 443 V HA 0.498 4.618 4.120 -0.000 0.000 0.290 443 V C -0.245 175.829 176.094 -0.033 0.000 1.037 443 V CA -0.411 61.839 62.300 -0.082 0.000 0.908 443 V CB 1.896 33.706 31.823 -0.023 0.000 0.985 443 V HN 0.986 nan 8.190 nan 0.000 0.454 444 D N 2.684 123.068 120.400 -0.027 0.000 2.527 444 D HA 0.485 5.124 4.640 -0.000 0.000 0.233 444 D C -0.848 175.480 176.300 0.046 0.000 1.063 444 D CA -0.527 53.480 54.000 0.012 0.000 0.880 444 D CB 2.214 43.022 40.800 0.012 0.000 1.457 444 D HN 0.525 nan 8.370 nan 0.000 0.475 445 Q N 2.572 122.401 119.800 0.049 0.000 2.558 445 Q HA 0.304 4.644 4.340 -0.000 0.000 0.252 445 Q C -1.918 174.114 176.000 0.054 0.000 1.015 445 Q CA -1.618 54.225 55.803 0.065 0.000 0.720 445 Q CB 2.134 30.904 28.738 0.055 0.000 1.215 445 Q HN 0.274 nan 8.270 nan 0.000 0.500 446 P HA -0.093 nan 4.420 nan 0.000 0.230 446 P C 0.228 177.548 177.300 0.033 0.000 1.158 446 P CA 0.639 63.765 63.100 0.043 0.000 0.769 446 P CB 0.370 32.097 31.700 0.045 0.000 0.807 447 L N -0.585 120.665 121.223 0.044 0.000 2.965 447 L HA 0.174 4.514 4.340 -0.000 0.000 0.254 447 L C 1.025 177.894 176.870 -0.001 0.000 1.220 447 L CA -0.424 54.432 54.840 0.026 0.000 1.023 447 L CB -0.724 41.359 42.059 0.039 0.000 1.355 447 L HN -0.074 nan 8.230 nan 0.000 0.545 448 R N 0.196 120.695 120.500 -0.002 0.000 2.522 448 R HA 0.239 4.578 4.340 -0.000 0.000 0.284 448 R C 0.824 177.101 176.300 -0.038 0.000 1.032 448 R CA 1.066 57.154 56.100 -0.022 0.000 1.049 448 R CB -0.024 30.271 30.300 -0.009 0.000 0.956 448 R HN 0.331 nan 8.270 nan 0.000 0.422 449 G N 3.745 112.501 108.800 -0.073 0.000 2.205 449 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.261 449 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.261 449 G C 0.459 175.316 174.900 -0.072 0.000 0.980 449 G CA 0.596 45.650 45.100 -0.077 0.000 0.632 449 G HN 0.788 nan 8.290 nan 0.000 0.533 450 R N -0.109 120.356 120.500 -0.059 0.000 2.637 450 R HA 0.511 4.851 4.340 -0.000 0.000 0.446 450 R C -0.350 175.930 176.300 -0.033 0.000 1.024 450 R CA -0.443 55.635 56.100 -0.037 0.000 1.080 450 R CB 0.259 30.553 30.300 -0.010 0.000 1.421 450 R HN 0.285 nan 8.270 nan 0.000 0.593 451 E N 1.117 121.275 120.200 -0.069 0.000 2.398 451 E HA 0.117 4.467 4.350 -0.000 0.000 0.263 451 E C -0.400 176.169 176.600 -0.052 0.000 1.046 451 E CA -0.218 56.145 56.400 -0.062 0.000 0.908 451 E CB 0.672 30.316 29.700 -0.094 0.000 0.963 451 E HN 0.150 nan 8.360 nan 0.000 0.431 452 I N 2.297 122.834 120.570 -0.056 0.000 2.452 452 I HA 0.003 4.173 4.170 -0.000 0.000 0.287 452 I C -0.534 175.581 176.117 -0.002 0.000 1.079 452 I CA -0.069 61.207 61.300 -0.040 0.000 1.387 452 I CB 0.537 38.414 38.000 -0.206 0.000 1.404 452 I HN 0.216 nan 8.210 nan 0.000 0.522 453 V N 7.589 127.521 119.914 0.030 0.000 2.479 453 V HA 0.085 4.205 4.120 -0.000 0.000 0.281 453 V C 0.309 176.421 176.094 0.030 0.000 1.031 453 V CA -0.566 61.740 62.300 0.010 0.000 1.038 453 V CB 0.679 32.500 31.823 -0.004 0.000 0.981 453 V HN 0.380 nan 8.190 nan 0.000 0.478 454 V N 8.037 127.934 119.914 -0.028 0.000 2.385 454 V HA 0.239 4.359 4.120 -0.000 0.000 0.269 454 V C -1.885 174.070 176.094 -0.232 0.000 1.043 454 V CA -1.645 60.550 62.300 -0.174 0.000 0.906 454 V CB 0.845 32.624 31.823 -0.074 0.000 0.995 454 V HN 0.778 nan 8.190 nan 0.000 0.467 455 P HA 0.003 nan 4.420 nan 0.000 0.266 455 P C 0.755 177.945 177.300 -0.184 0.000 1.193 455 P CA 0.053 63.011 63.100 -0.236 0.000 0.770 455 P CB 0.621 32.155 31.700 -0.277 0.000 0.836 456 D N 1.232 121.564 120.400 -0.113 0.000 2.219 456 D HA -0.149 4.491 4.640 -0.000 0.000 0.205 456 D C 0.877 177.123 176.300 -0.091 0.000 0.970 456 D CA 1.005 54.953 54.000 -0.087 0.000 0.851 456 D CB 0.028 40.794 40.800 -0.056 0.000 0.943 456 D HN 0.490 nan 8.370 nan 0.000 0.488 457 D N -0.225 120.121 120.400 -0.091 0.000 2.340 457 D HA -0.087 4.553 4.640 -0.000 0.000 0.220 457 D C 0.597 176.852 176.300 -0.075 0.000 1.039 457 D CA -0.201 53.757 54.000 -0.070 0.000 0.866 457 D CB 0.278 41.050 40.800 -0.047 0.000 0.913 457 D HN 0.115 nan 8.370 nan 0.000 0.523 458 I N 2.070 122.567 120.570 -0.121 0.000 2.312 458 I HA 0.080 4.250 4.170 -0.000 0.000 0.291 458 I C 1.473 177.540 176.117 -0.083 0.000 1.031 458 I CA -0.264 60.975 61.300 -0.102 0.000 1.293 458 I CB 1.137 38.988 38.000 -0.248 0.000 1.403 458 I HN 0.046 nan 8.210 nan 0.000 0.484 459 E N 5.510 125.672 120.200 -0.064 0.000 2.086 459 E HA -0.077 4.272 4.350 -0.000 0.000 0.190 459 E C -0.473 175.928 176.600 -0.333 0.000 0.975 459 E CA 0.992 57.256 56.400 -0.227 0.000 0.813 459 E CB 0.399 29.934 29.700 -0.276 0.000 0.768 459 E HN 0.497 nan 8.360 nan 0.000 0.457 460 Y N -0.282 120.051 120.300 0.056 0.000 2.409 460 Y HA 0.360 4.910 4.550 -0.000 0.000 0.343 460 Y C -0.531 175.425 175.900 0.092 0.000 0.973 460 Y CA -0.940 57.163 58.100 0.005 0.000 1.064 460 Y CB 2.048 40.445 38.460 -0.104 0.000 1.207 460 Y HN -0.279 nan 8.280 nan 0.000 0.452 461 V N 4.125 124.180 119.914 0.236 0.000 2.435 461 V HA 0.303 4.423 4.120 -0.000 0.000 0.290 461 V C -0.920 175.273 176.094 0.165 0.000 1.030 461 V CA -1.212 61.280 62.300 0.319 0.000 0.881 461 V CB 0.712 32.717 31.823 0.303 0.000 0.983 461 V HN 0.596 nan 8.190 nan 0.000 0.445 462 Y N 5.136 125.523 120.300 0.144 0.000 2.326 462 Y HA 0.614 5.164 4.550 -0.000 0.000 0.337 462 Y C 0.131 176.184 175.900 0.255 0.000 1.023 462 Y CA -0.510 57.659 58.100 0.116 0.000 1.143 462 Y CB 1.136 39.498 38.460 -0.164 0.000 1.183 462 Y HN 0.411 nan 8.280 nan 0.000 0.485 463 L N 5.067 126.587 121.223 0.495 0.000 2.341 463 L HA 0.669 5.009 4.340 -0.000 0.000 0.278 463 L C -0.387 176.816 176.870 0.556 0.000 1.005 463 L CA -0.842 54.311 54.840 0.522 0.000 0.818 463 L CB 2.121 44.418 42.059 0.397 0.000 1.259 463 L HN 0.580 nan 8.230 nan 0.000 0.418 464 R N 2.186 123.026 120.500 0.566 0.000 2.673 464 R HA 0.777 5.116 4.340 -0.000 0.000 0.281 464 R C -2.072 174.401 176.300 0.287 0.000 0.991 464 R CA -0.556 55.737 56.100 0.323 0.000 0.896 464 R CB 2.865 33.191 30.300 0.044 0.000 1.201 464 R HN 0.424 nan 8.270 nan 0.000 0.457 465 V N 2.843 122.824 119.914 0.112 0.000 2.604 465 V HA 0.542 4.662 4.120 -0.000 0.000 0.305 465 V C -1.155 174.822 176.094 -0.194 0.000 1.043 465 V CA -0.239 62.005 62.300 -0.094 0.000 0.888 465 V CB 2.353 34.038 31.823 -0.231 0.000 0.995 465 V HN 0.895 nan 8.190 nan 0.000 0.429 466 T N 5.991 120.419 114.554 -0.210 0.000 2.809 466 T HA 0.490 4.840 4.350 -0.000 0.000 0.296 466 T C -0.589 173.921 174.700 -0.317 0.000 1.015 466 T CA -0.271 61.668 62.100 -0.268 0.000 0.954 466 T CB 1.213 69.983 68.868 -0.164 0.000 0.950 466 T HN 0.461 nan 8.240 nan 0.000 0.450 467 V N 4.739 124.273 119.914 -0.634 0.000 2.407 467 V HA 0.396 4.516 4.120 -0.000 0.000 0.278 467 V C -0.089 175.789 176.094 -0.360 0.000 1.037 467 V CA -0.659 61.264 62.300 -0.628 0.000 0.900 467 V CB 1.426 32.397 31.823 -1.420 0.000 0.983 467 V HN 0.741 nan 8.190 nan 0.000 0.459 468 Q N 3.781 123.494 119.800 -0.146 0.000 2.798 468 Q HA 0.572 4.911 4.340 -0.000 0.000 0.250 468 Q C 0.671 176.593 176.000 -0.130 0.000 1.006 468 Q CA 0.291 56.061 55.803 -0.056 0.000 0.759 468 Q CB 1.423 30.215 28.738 0.089 0.000 1.201 468 Q HN 1.007 nan 8.270 nan 0.000 0.486 469 A N 1.685 124.295 122.820 -0.349 0.000 5.123 469 A HA -0.411 3.908 4.320 -0.000 0.000 0.337 469 A C 1.720 179.369 177.584 0.109 0.000 1.775 469 A CA 2.905 54.877 52.037 -0.108 0.000 0.704 469 A CB -2.142 16.757 19.000 -0.168 0.000 1.426 469 A HN 0.772 nan 8.150 nan 0.000 0.391 470 T N -1.585 113.020 114.554 0.086 0.000 2.962 470 T HA 0.296 4.646 4.350 -0.000 0.000 0.270 470 T C 0.871 175.668 174.700 0.163 0.000 1.088 470 T CA 2.390 64.571 62.100 0.135 0.000 1.127 470 T CB -1.119 67.793 68.868 0.074 0.000 0.883 470 T HN 2.383 nan 8.240 nan 0.000 0.493 471 T N -0.480 114.155 114.554 0.134 0.000 2.906 471 T HA 0.660 5.010 4.350 -0.000 0.000 0.295 471 T C -1.183 173.621 174.700 0.174 0.000 1.075 471 T CA -1.153 61.016 62.100 0.114 0.000 1.005 471 T CB 2.037 70.924 68.868 0.032 0.000 1.136 471 T HN 0.551 nan 8.240 nan 0.000 0.498 472 Y N -1.291 119.049 120.300 0.067 0.000 2.597 472 Y HA 0.849 5.398 4.550 -0.000 0.000 0.340 472 Y C -1.275 174.671 175.900 0.076 0.000 1.097 472 Y CA -1.328 56.759 58.100 -0.021 0.000 1.037 472 Y CB 1.718 40.100 38.460 -0.129 0.000 1.305 472 Y HN 0.774 nan 8.280 nan 0.000 0.463 473 K N 1.936 122.423 120.400 0.144 0.000 2.427 473 K HA 0.410 4.730 4.320 -0.000 0.000 0.252 473 K C -1.914 174.772 176.600 0.143 0.000 0.931 473 K CA -0.889 55.504 56.287 0.176 0.000 0.793 473 K CB 2.190 34.759 32.500 0.116 0.000 1.211 473 K HN 0.657 nan 8.250 nan 0.000 0.426 474 Y N 0.743 121.258 120.300 0.358 0.000 2.301 474 Y HA 0.248 4.798 4.550 -0.000 0.000 0.325 474 Y C 0.838 176.910 175.900 0.287 0.000 1.203 474 Y CA 0.213 58.500 58.100 0.312 0.000 1.255 474 Y CB 1.577 40.234 38.460 0.330 0.000 1.232 474 Y HN 0.614 nan 8.280 nan 0.000 0.501 475 S N 1.453 117.443 115.700 0.483 0.000 2.685 475 S HA 0.805 5.275 4.470 -0.000 0.000 0.282 475 S C -1.584 173.391 174.600 0.625 0.000 1.159 475 S CA -0.927 57.549 58.200 0.460 0.000 0.833 475 S CB 2.124 65.522 63.200 0.331 0.000 1.151 475 S HN 0.671 nan 8.310 nan 0.000 0.485 476 Y N -1.538 118.993 120.300 0.386 0.000 2.655 476 Y HA 0.879 5.429 4.550 -0.000 0.000 0.336 476 Y C -0.807 174.916 175.900 -0.295 0.000 1.154 476 Y CA -0.784 57.405 58.100 0.149 0.000 1.055 476 Y CB 1.303 39.770 38.460 0.012 0.000 1.295 476 Y HN 0.981 nan 8.280 nan 0.000 0.465 477 S N 0.546 115.931 115.700 -0.526 0.000 2.537 477 S HA 0.551 5.021 4.470 -0.000 0.000 0.271 477 S C -1.285 173.153 174.600 -0.270 0.000 1.148 477 S CA -0.609 57.069 58.200 -0.870 0.000 0.868 477 S CB 0.666 62.780 63.200 -1.811 0.000 1.115 477 S HN 0.614 nan 8.310 nan 0.000 0.461 478 F N 1.781 121.710 119.950 -0.035 0.000 2.717 478 F HA 0.246 4.772 4.527 -0.000 0.000 0.295 478 F C 1.750 177.617 175.800 0.112 0.000 1.117 478 F CA 0.161 58.244 58.000 0.137 0.000 1.361 478 F CB 0.143 39.215 39.000 0.120 0.000 1.112 478 F HN 0.689 nan 8.300 nan 0.000 0.594 479 D N -2.182 118.203 120.400 -0.025 0.000 2.479 479 D HA 0.212 4.852 4.640 -0.000 0.000 0.216 479 D C 1.724 177.725 176.300 -0.498 0.000 1.110 479 D CA 0.774 54.717 54.000 -0.094 0.000 0.841 479 D CB -0.105 40.671 40.800 -0.041 0.000 1.040 479 D HN 0.157 nan 8.370 nan 0.000 0.505 480 G N 0.470 108.558 108.800 -1.187 0.000 2.147 480 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.244 480 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.244 480 G C 0.649 175.310 174.900 -0.399 0.000 1.005 480 G CA 0.896 45.162 45.100 -1.391 0.000 0.713 480 G HN 0.392 nan 8.290 nan 0.000 0.515 481 M N -1.143 118.255 119.600 -0.337 0.000 2.227 481 M HA 0.244 4.724 4.480 -0.000 0.000 0.226 481 M C 0.215 176.520 176.300 0.009 0.000 1.423 481 M CA 0.051 55.325 55.300 -0.044 0.000 1.055 481 M CB 0.487 33.061 32.600 -0.044 0.000 1.572 481 M HN 0.065 nan 8.290 nan 0.000 0.567 482 N N 0.234 118.819 118.700 -0.192 0.000 2.424 482 N HA 0.298 5.038 4.740 -0.000 0.000 0.271 482 N C -1.869 173.439 175.510 -0.336 0.000 0.985 482 N CA 0.034 53.003 53.050 -0.135 0.000 0.921 482 N CB 0.844 39.258 38.487 -0.121 0.000 1.149 482 N HN 0.096 nan 8.380 nan 0.000 0.492 483 W N 1.968 123.160 121.300 -0.180 0.000 2.632 483 W HA 0.572 5.232 4.660 -0.000 0.000 0.328 483 W C 0.104 176.460 176.519 -0.271 0.000 1.044 483 W CA -0.526 56.679 57.345 -0.233 0.000 1.225 483 W CB 1.245 30.623 29.460 -0.137 0.000 1.396 483 W HN 0.206 nan 8.180 nan 0.000 0.499 484 I N 3.563 123.978 120.570 -0.258 0.000 2.382 484 I HA 0.131 4.301 4.170 -0.000 0.000 0.286 484 I C -0.362 175.718 176.117 -0.062 0.000 1.002 484 I CA -0.955 60.186 61.300 -0.265 0.000 1.135 484 I CB 1.006 38.683 38.000 -0.540 0.000 1.288 484 I HN 0.198 nan 8.210 nan 0.000 0.448 485 D N 6.612 127.044 120.400 0.054 0.000 2.458 485 D HA 0.208 4.848 4.640 -0.000 0.000 0.243 485 D C -0.149 176.258 176.300 0.177 0.000 1.146 485 D CA 0.225 54.304 54.000 0.132 0.000 0.877 485 D CB 0.961 41.818 40.800 0.094 0.000 1.176 485 D HN 0.257 nan 8.370 nan 0.000 0.461 486 L N 5.079 126.463 121.223 0.268 0.000 2.319 486 L HA 0.222 4.562 4.340 -0.000 0.000 0.280 486 L C -1.535 175.446 176.870 0.184 0.000 1.099 486 L CA -1.369 53.630 54.840 0.266 0.000 0.828 486 L CB 0.667 42.931 42.059 0.342 0.000 1.150 486 L HN 0.246 nan 8.230 nan 0.000 0.442 487 P HA 0.092 nan 4.420 nan 0.000 0.228 487 P C -0.804 176.496 177.300 -0.001 0.000 1.748 487 P CA 0.159 63.291 63.100 0.054 0.000 0.909 487 P CB 0.014 31.738 31.700 0.041 0.000 1.882 488 V N 0.242 120.147 119.914 -0.016 0.000 2.638 488 V HA 0.314 4.433 4.120 -0.000 0.000 0.306 488 V C 0.149 176.057 176.094 -0.309 0.000 1.052 488 V CA -0.332 61.835 62.300 -0.222 0.000 0.885 488 V CB 2.381 33.999 31.823 -0.341 0.000 0.999 488 V HN 0.028 nan 8.190 nan 0.000 0.424 489 T N 5.463 119.793 114.554 -0.374 0.000 2.743 489 T HA 0.631 4.980 4.350 -0.000 0.000 0.292 489 T C -0.471 173.942 174.700 -0.479 0.000 0.972 489 T CA -0.017 61.909 62.100 -0.290 0.000 0.967 489 T CB 0.197 68.972 68.868 -0.154 0.000 0.926 489 T HN 0.277 nan 8.240 nan 0.000 0.459 490 F N 1.609 121.352 119.950 -0.345 0.000 2.378 490 F HA 0.416 4.942 4.527 -0.000 0.000 0.325 490 F C 1.122 176.629 175.800 -0.488 0.000 1.097 490 F CA -1.003 56.673 58.000 -0.540 0.000 1.079 490 F CB 0.995 39.350 39.000 -1.075 0.000 1.240 490 F HN 0.426 nan 8.300 nan 0.000 0.519 491 E N 0.189 120.318 120.200 -0.119 0.000 2.145 491 E HA 0.233 4.583 4.350 -0.000 0.000 0.270 491 E C 0.002 176.676 176.600 0.122 0.000 0.906 491 E CA -0.325 56.079 56.400 0.007 0.000 0.761 491 E CB 1.598 31.312 29.700 0.023 0.000 1.116 491 E HN 0.551 nan 8.360 nan 0.000 0.408 492 S N 1.680 117.584 115.700 0.341 0.000 2.419 492 S HA -0.203 4.267 4.470 -0.000 0.000 0.233 492 S C 1.712 176.432 174.600 0.201 0.000 1.016 492 S CA 1.050 59.527 58.200 0.462 0.000 0.974 492 S CB -0.330 63.215 63.200 0.576 0.000 0.786 492 S HN 0.687 nan 8.310 nan 0.000 0.492 493 Y N 1.670 121.958 120.300 -0.020 0.000 2.421 493 Y HA 0.135 4.684 4.550 -0.000 0.000 0.292 493 Y C 1.562 177.254 175.900 -0.346 0.000 1.136 493 Y CA 0.745 58.735 58.100 -0.184 0.000 1.255 493 Y CB -0.424 37.716 38.460 -0.534 0.000 0.991 493 Y HN 0.032 nan 8.280 nan 0.000 0.552 494 K N 0.882 120.660 120.400 -1.037 0.000 2.432 494 K HA 0.121 4.441 4.320 -0.000 0.000 0.196 494 K C 0.508 176.890 176.600 -0.363 0.000 1.038 494 K CA 0.557 56.155 56.287 -1.148 0.000 0.986 494 K CB 0.012 31.884 32.500 -1.047 0.000 0.782 494 K HN 0.425 nan 8.250 nan 0.000 0.485 495 L N 1.490 122.589 121.223 -0.207 0.000 3.034 495 L HA 0.131 4.471 4.340 -0.000 0.000 0.245 495 L C 0.044 176.849 176.870 -0.108 0.000 1.295 495 L CA -0.499 54.265 54.840 -0.127 0.000 1.068 495 L CB 0.267 42.225 42.059 -0.169 0.000 1.426 495 L HN -0.006 nan 8.230 nan 0.000 0.531 496 S N -3.772 111.845 115.700 -0.139 0.000 2.566 496 S HA 0.355 4.825 4.470 -0.000 0.000 0.298 496 S C 0.441 174.916 174.600 -0.208 0.000 1.083 496 S CA -0.775 57.422 58.200 -0.005 0.000 0.978 496 S CB 2.302 65.662 63.200 0.265 0.000 1.073 496 S HN 0.066 nan 8.310 nan 0.000 0.491 497 D N 1.740 122.119 120.400 -0.036 0.000 2.133 497 D HA -0.158 4.482 4.640 -0.000 0.000 0.192 497 D C 1.014 177.300 176.300 -0.023 0.000 1.001 497 D CA 2.213 56.181 54.000 -0.053 0.000 0.844 497 D CB -0.510 40.334 40.800 0.073 0.000 0.944 497 D HN 0.813 nan 8.370 nan 0.000 0.447 498 D N -1.372 119.121 120.400 0.156 0.000 2.269 498 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 498 D C 1.581 178.119 176.300 0.397 0.000 0.963 498 D CA 0.353 54.498 54.000 0.241 0.000 0.864 498 D CB -0.151 40.789 40.800 0.233 0.000 0.936 498 D HN 0.263 nan 8.370 nan 0.000 0.505 499 Y N 1.119 121.601 120.300 0.303 0.000 2.420 499 Y HA 0.089 4.639 4.550 -0.000 0.000 0.292 499 Y C 0.347 176.341 175.900 0.158 0.000 1.119 499 Y CA 0.073 58.345 58.100 0.286 0.000 1.229 499 Y CB 0.190 38.722 38.460 0.119 0.000 1.026 499 Y HN -0.193 nan 8.280 nan 0.000 0.554 500 I N 1.958 122.501 120.570 -0.044 0.000 2.556 500 I HA -0.039 4.131 4.170 -0.000 0.000 0.284 500 I C 1.152 177.268 176.117 -0.002 0.000 1.114 500 I CA 0.256 61.496 61.300 -0.100 0.000 1.418 500 I CB 1.230 39.065 38.000 -0.276 0.000 1.394 500 I HN 0.096 nan 8.210 nan 0.000 0.552 501 K N 3.296 123.794 120.400 0.163 0.000 2.116 501 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 501 K C 2.040 178.640 176.600 0.000 0.000 1.052 501 K CA 1.237 57.532 56.287 0.013 0.000 0.952 501 K CB -0.106 32.360 32.500 -0.057 0.000 0.729 501 K HN 0.772 nan 8.250 nan 0.000 0.446 502 S N 0.416 116.113 115.700 -0.005 0.000 2.419 502 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 502 S C 0.900 175.469 174.600 -0.052 0.000 1.016 502 S CA 1.083 59.269 58.200 -0.023 0.000 0.974 502 S CB -0.297 62.879 63.200 -0.039 0.000 0.786 502 S HN 0.319 nan 8.310 nan 0.000 0.492 503 R N -0.291 120.145 120.500 -0.107 0.000 3.977 503 R HA -0.186 4.153 4.340 -0.000 0.000 0.428 503 R C 0.422 176.489 176.300 -0.388 0.000 1.079 503 R CA 0.854 56.855 56.100 -0.166 0.000 1.269 503 R CB -2.434 27.843 30.300 -0.038 0.000 1.856 503 R HN 0.604 nan 8.270 nan 0.000 0.551 504 A N 1.072 123.671 122.820 -0.368 0.000 2.990 504 A HA 0.604 4.924 4.320 -0.000 0.000 0.282 504 A C 0.397 177.527 177.584 -0.756 0.000 1.688 504 A CA 0.566 52.215 52.037 -0.648 0.000 1.391 504 A CB 0.012 18.918 19.000 -0.158 0.000 1.112 504 A HN 0.401 nan 8.150 nan 0.000 0.588 505 A N 1.284 123.413 122.820 -1.152 0.000 2.815 505 A HA 0.671 4.991 4.320 -0.000 0.000 0.318 505 A C -0.594 176.683 177.584 -0.511 0.000 1.186 505 A CA -0.285 51.434 52.037 -0.529 0.000 0.754 505 A CB 0.081 18.895 19.000 -0.310 0.000 1.151 505 A HN 0.511 nan 8.150 nan 0.000 0.452 506 F N 0.620 120.362 119.950 -0.346 0.000 2.724 506 F HA 0.145 4.672 4.527 -0.000 0.000 0.310 506 F C 1.692 177.018 175.800 -0.789 0.000 1.107 506 F CA 0.516 58.101 58.000 -0.691 0.000 1.218 506 F CB 0.226 38.454 39.000 -1.287 0.000 1.042 506 F HN 0.525 nan 8.300 nan 0.000 0.540 507 T N -2.454 111.799 114.554 -0.501 0.000 2.435 507 T HA 0.833 5.183 4.350 -0.000 0.000 0.177 507 T C 0.760 175.064 174.700 -0.659 0.000 0.716 507 T CA 0.101 61.606 62.100 -0.991 0.000 1.523 507 T CB 0.583 68.751 68.868 -1.166 0.000 2.878 507 T HN 0.182 nan 8.240 nan 0.000 0.405 508 G N -0.089 108.281 108.800 -0.716 0.000 2.321 508 G HA2 0.550 4.510 3.960 -0.000 0.000 0.298 508 G HA3 0.550 4.510 3.960 -0.000 0.000 0.298 508 G C -1.266 173.498 174.900 -0.226 0.000 1.385 508 G CA -0.522 44.448 45.100 -0.218 0.000 0.856 508 G HN 0.918 nan 8.290 nan 0.000 0.584 509 A N -0.283 122.417 122.820 -0.200 0.000 2.450 509 A HA 0.747 5.067 4.320 -0.000 0.000 0.255 509 A C -0.580 176.834 177.584 -0.283 0.000 1.096 509 A CA 0.137 51.907 52.037 -0.444 0.000 0.778 509 A CB -0.064 18.062 19.000 -1.457 0.000 1.031 509 A HN 0.731 nan 8.150 nan 0.000 0.494 510 F N 0.887 120.741 119.950 -0.161 0.000 2.541 510 F HA 0.598 5.125 4.527 -0.000 0.000 0.331 510 F C 0.287 176.333 175.800 0.410 0.000 1.057 510 F CA -0.665 57.359 58.000 0.041 0.000 0.975 510 F CB 2.228 41.144 39.000 -0.139 0.000 1.246 510 F HN 0.432 nan 8.300 nan 0.000 0.484 511 V N 1.469 121.732 119.914 0.581 0.000 2.656 511 V HA 0.965 5.085 4.120 -0.000 0.000 0.307 511 V C -0.624 175.750 176.094 0.466 0.000 1.051 511 V CA 0.060 62.751 62.300 0.652 0.000 0.893 511 V CB 1.279 33.519 31.823 0.694 0.000 0.999 511 V HN 0.895 nan 8.190 nan 0.000 0.426 512 G N 5.091 114.203 108.800 0.520 0.000 2.619 512 G HA2 0.548 4.508 3.960 -0.000 0.000 0.305 512 G HA3 0.548 4.508 3.960 -0.000 0.000 0.305 512 G C -1.726 173.401 174.900 0.378 0.000 1.330 512 G CA -0.981 44.271 45.100 0.253 0.000 0.789 512 G HN 0.730 nan 8.290 nan 0.000 0.487 513 M N 1.159 120.802 119.600 0.070 0.000 2.294 513 M HA 0.470 4.950 4.480 -0.000 0.000 0.335 513 M C -0.808 175.535 176.300 0.072 0.000 1.079 513 M CA -0.758 54.471 55.300 -0.118 0.000 0.982 513 M CB 2.215 34.245 32.600 -0.950 0.000 1.651 513 M HN 0.605 nan 8.290 nan 0.000 0.437 514 H N 1.187 120.291 119.070 0.055 0.000 2.768 514 H HA 0.609 5.164 4.556 -0.000 0.000 0.371 514 H C -1.888 173.462 175.328 0.037 0.000 1.151 514 H CA -0.648 55.406 56.048 0.009 0.000 1.165 514 H CB 2.330 31.939 29.762 -0.254 0.000 1.722 514 H HN 0.865 nan 8.280 nan 0.000 0.543 515 C N 5.275 124.488 119.300 -0.146 0.000 2.608 515 C HA 0.532 4.992 4.460 -0.000 0.000 0.325 515 C C -0.679 174.275 174.990 -0.060 0.000 1.147 515 C CA -0.645 58.332 59.018 -0.068 0.000 1.359 515 C CB 0.796 28.476 27.740 -0.100 0.000 1.912 515 C HN 0.987 nan 8.230 nan 0.000 0.466 516 R N 3.507 124.058 120.500 0.084 0.000 2.514 516 R HA 0.585 4.925 4.340 -0.000 0.000 0.301 516 R C -1.374 174.994 176.300 0.113 0.000 0.962 516 R CA -0.142 56.026 56.100 0.113 0.000 0.882 516 R CB 1.219 31.612 30.300 0.155 0.000 1.143 516 R HN 0.762 nan 8.270 nan 0.000 0.452 517 D N 3.214 123.670 120.400 0.094 0.000 2.408 517 D HA 0.219 4.858 4.640 -0.000 0.000 0.261 517 D C 0.519 176.851 176.300 0.055 0.000 1.190 517 D CA -0.347 53.706 54.000 0.089 0.000 0.910 517 D CB 1.396 42.253 40.800 0.094 0.000 1.097 517 D HN 0.847 nan 8.370 nan 0.000 0.522 518 G N 1.329 110.160 108.800 0.052 0.000 2.679 518 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.212 518 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.212 518 G C 1.245 176.148 174.900 0.004 0.000 1.137 518 G CA 0.878 46.000 45.100 0.037 0.000 0.787 518 G HN 0.458 nan 8.290 nan 0.000 0.534 519 S N -1.276 114.412 115.700 -0.020 0.000 2.503 519 S HA 0.361 4.831 4.470 -0.000 0.000 0.215 519 S C 1.851 176.430 174.600 -0.035 0.000 1.003 519 S CA 1.012 59.182 58.200 -0.050 0.000 0.910 519 S CB 0.113 63.252 63.200 -0.102 0.000 0.790 519 S HN 1.366 nan 8.310 nan 0.000 0.514 520 G N 1.309 110.101 108.800 -0.013 0.000 2.143 520 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.248 520 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.248 520 G C 0.395 175.290 174.900 -0.008 0.000 0.991 520 G CA 0.404 45.500 45.100 -0.007 0.000 0.689 520 G HN 0.577 nan 8.290 nan 0.000 0.522 521 Q N -0.506 119.287 119.800 -0.011 0.000 2.373 521 Q HA 0.219 4.559 4.340 -0.000 0.000 0.206 521 Q C 1.327 177.350 176.000 0.038 0.000 0.942 521 Q CA 0.271 56.067 55.803 -0.011 0.000 0.953 521 Q CB 0.089 28.797 28.738 -0.050 0.000 1.022 521 Q HN 0.522 nan 8.270 nan 0.000 0.502 522 N N 1.200 119.944 118.700 0.074 0.000 2.721 522 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 522 N C -0.997 174.695 175.510 0.304 0.000 1.072 522 N CA 0.308 53.461 53.050 0.170 0.000 0.710 522 N CB -0.879 37.670 38.487 0.103 0.000 0.993 522 N HN 0.276 nan 8.380 nan 0.000 0.547 523 N N 0.376 119.186 118.700 0.185 0.000 2.503 523 N HA 0.359 5.099 4.740 -0.000 0.000 0.267 523 N C -0.538 175.099 175.510 0.212 0.000 1.214 523 N CA 0.152 53.271 53.050 0.115 0.000 0.959 523 N CB 0.363 38.836 38.487 -0.024 0.000 1.142 523 N HN 0.334 nan 8.380 nan 0.000 0.455 524 Y N -1.027 119.341 120.300 0.114 0.000 2.609 524 Y HA 0.832 5.381 4.550 -0.000 0.000 0.342 524 Y C -1.277 174.662 175.900 0.065 0.000 1.058 524 Y CA -1.610 56.444 58.100 -0.076 0.000 1.055 524 Y CB 0.749 38.846 38.460 -0.603 0.000 1.292 524 Y HN 0.481 nan 8.280 nan 0.000 0.476 525 A N 1.287 124.168 122.820 0.101 0.000 2.371 525 A HA 0.604 4.924 4.320 -0.000 0.000 0.311 525 A C -1.740 175.790 177.584 -0.090 0.000 1.068 525 A CA -0.781 51.208 52.037 -0.081 0.000 0.744 525 A CB 0.891 19.550 19.000 -0.569 0.000 1.239 525 A HN 0.710 nan 8.150 nan 0.000 0.435 526 D N 1.916 122.267 120.400 -0.082 0.000 2.373 526 D HA 0.445 5.085 4.640 -0.000 0.000 0.227 526 D C -1.152 175.189 176.300 0.068 0.000 1.091 526 D CA 0.517 54.556 54.000 0.065 0.000 0.840 526 D CB 0.724 41.572 40.800 0.080 0.000 1.060 526 D HN 0.337 nan 8.370 nan 0.000 0.502 527 F N 1.475 121.553 119.950 0.214 0.000 2.391 527 F HA 0.112 4.639 4.527 -0.000 0.000 0.359 527 F C 1.688 177.655 175.800 0.278 0.000 1.122 527 F CA -0.741 57.388 58.000 0.214 0.000 1.120 527 F CB 1.328 40.412 39.000 0.140 0.000 1.142 527 F HN 0.172 nan 8.300 nan 0.000 0.483 528 D N 2.611 123.165 120.400 0.256 0.000 2.123 528 D HA -0.109 4.530 4.640 -0.000 0.000 0.200 528 D C -0.252 176.197 176.300 0.248 0.000 0.976 528 D CA 1.576 55.522 54.000 -0.090 0.000 0.831 528 D CB 0.233 40.842 40.800 -0.319 0.000 0.974 528 D HN 0.463 nan 8.370 nan 0.000 0.469 529 Y N -2.981 117.472 120.300 0.255 0.000 2.670 529 Y HA 0.539 5.089 4.550 -0.000 0.000 0.334 529 Y C -1.862 174.188 175.900 0.249 0.000 1.185 529 Y CA -1.918 56.221 58.100 0.065 0.000 1.053 529 Y CB 0.688 39.126 38.460 -0.037 0.000 1.298 529 Y HN -0.201 nan 8.280 nan 0.000 0.459 530 F N 3.649 123.669 119.950 0.117 0.000 2.562 530 F HA 0.680 5.207 4.527 -0.000 0.000 0.319 530 F C -1.854 174.145 175.800 0.332 0.000 1.154 530 F CA -1.097 57.086 58.000 0.304 0.000 0.931 530 F CB 1.526 40.777 39.000 0.418 0.000 1.198 530 F HN 0.724 nan 8.300 nan 0.000 0.444 531 L N 6.172 127.315 121.223 -0.134 0.000 2.334 531 L HA 0.690 5.030 4.340 -0.000 0.000 0.276 531 L C -2.224 174.559 176.870 -0.146 0.000 1.014 531 L CA -1.198 53.626 54.840 -0.027 0.000 0.815 531 L CB 1.468 43.553 42.059 0.043 0.000 1.268 531 L HN 0.606 nan 8.230 nan 0.000 0.428 532 Y N 2.825 123.122 120.300 -0.005 0.000 2.386 532 Y HA 0.670 5.220 4.550 -0.000 0.000 0.334 532 Y C -1.124 174.821 175.900 0.074 0.000 1.002 532 Y CA -0.642 57.475 58.100 0.028 0.000 1.068 532 Y CB 1.376 39.886 38.460 0.084 0.000 1.203 532 Y HN 0.901 nan 8.280 nan 0.000 0.443 533 K N 5.893 125.989 120.400 -0.506 0.000 2.581 533 K HA 0.173 4.493 4.320 -0.000 0.000 0.249 533 K C -1.329 174.980 176.600 -0.485 0.000 0.966 533 K CA -0.588 55.480 56.287 -0.365 0.000 0.811 533 K CB 1.653 34.036 32.500 -0.194 0.000 1.223 533 K HN 0.930 nan 8.250 nan 0.000 0.438 534 E N 4.477 124.363 120.200 -0.522 0.000 2.415 534 E HA 0.059 4.409 4.350 -0.000 0.000 0.263 534 E C -0.447 176.008 176.600 -0.241 0.000 0.995 534 E CA -0.018 56.076 56.400 -0.510 0.000 0.915 534 E CB 0.289 29.558 29.700 -0.718 0.000 0.951 534 E HN 0.533 nan 8.360 nan 0.000 0.449 535 L N 0.000 121.150 121.223 -0.122 0.000 2.949 535 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 535 L CA 0.000 54.795 54.840 -0.075 0.000 0.813 535 L CB 0.000 42.001 42.059 -0.097 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502