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 2v5c_1_A DATA FIRST_RESID 41 DATA SEQUENCE VLVPNLNPTP ENLEVVGDGF KITSSINLVG EEEADENAVN ALREFLTANN DATA SEQUENCE IEINSENDPN STTLIIGEVD DDIPELDEAL NGTTAENLKE EGYALVSNDG DATA SEQUENCE KIAIEGKDGD GTFYGVQTFK QLVKESNIPE VNITDYPTVS ARGIVEGFYG DATA SEQUENCE TPWTHQDRLD QIKFYGENKL NTYIYAPKDD PYHREKWREP YPESEMQRMQ DATA SEQUENCE ELINASAENK VDFVFGISPG IDIRFDGDAG EEDFNHLITK AESLYDMGVR DATA SEQUENCE SFAIYWDDIQ DKSAAKHAQV LNRFNEEFVK AKGDVKPLIT VPTEYDTGAM DATA SEQUENCE VSNGQPRAYT RIFAETVDPS IEVMWTGPGV VTNEIPLSDA QLISGIYNRN DATA SEQUENCE MAVWWNYPVT DYFKGKLALG PMHGLDKGLN QYVDFFTVNP MEHAELSKIS DATA SEQUENCE IHTAADYSWN MDNYDYDKAW NRAIDMLYGD LAEDMKVFAN HSTRMDNKTW DATA SEQUENCE AKSGREDAPE LRAKMDELWN KLSSKEDASA LIEELYGEFA RMEEACNNLK DATA SEQUENCE ANLPEVALEE CSRQLDELIT LAQGDKASLD MIVAQLNEDT EAYESAKEIA DATA SEQUENCE QNKLNTALSS FAVISEKVAQ SFIQEALSFD LTLI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 41 V HA 0.000 nan 4.120 nan 0.000 0.244 41 V C 0.000 176.078 176.094 -0.027 0.000 1.182 41 V CA 0.000 62.285 62.300 -0.024 0.000 1.235 41 V CB 0.000 31.795 31.823 -0.047 0.000 1.184 42 L N 4.222 125.429 121.223 -0.026 0.000 2.472 42 L HA 0.532 4.872 4.340 0.001 0.000 0.260 42 L C 0.740 177.590 176.870 -0.033 0.000 1.209 42 L CA -0.085 54.741 54.840 -0.024 0.000 0.817 42 L CB 1.150 43.197 42.059 -0.020 0.000 1.106 42 L HN 0.709 nan 8.230 nan 0.000 0.479 43 V N 3.314 123.213 119.914 -0.026 0.000 2.439 43 V HA 0.200 4.321 4.120 0.001 0.000 0.271 43 V C -1.670 174.405 176.094 -0.032 0.000 1.040 43 V CA -1.267 61.014 62.300 -0.031 0.000 1.002 43 V CB 0.395 32.207 31.823 -0.019 0.000 1.000 43 V HN 0.752 nan 8.190 nan 0.000 0.477 44 P HA 0.127 nan 4.420 nan 0.000 0.272 44 P C -0.072 177.211 177.300 -0.029 0.000 1.254 44 P CA -0.587 62.489 63.100 -0.040 0.000 0.795 44 P CB 0.333 31.999 31.700 -0.056 0.000 1.022 45 N N 0.300 118.988 118.700 -0.020 0.000 2.412 45 N HA 0.069 4.809 4.740 0.001 0.000 0.254 45 N C -0.505 174.999 175.510 -0.010 0.000 1.232 45 N CA 0.554 53.601 53.050 -0.004 0.000 0.880 45 N CB -0.136 38.357 38.487 0.010 0.000 1.076 45 N HN 0.265 nan 8.380 nan 0.000 0.458 46 L N 1.944 123.163 121.223 -0.006 0.000 2.386 46 L HA 0.452 4.793 4.340 0.001 0.000 0.271 46 L C -0.189 176.659 176.870 -0.036 0.000 0.993 46 L CA -0.844 53.974 54.840 -0.037 0.000 0.819 46 L CB 1.939 43.970 42.059 -0.047 0.000 1.294 46 L HN 0.446 nan 8.230 nan 0.000 0.414 47 N N 2.408 121.043 118.700 -0.108 0.000 2.397 47 N HA 0.511 5.252 4.740 0.001 0.000 0.291 47 N C -2.860 172.438 175.510 -0.353 0.000 1.065 47 N CA -1.348 51.579 53.050 -0.204 0.000 0.884 47 N CB 2.899 41.200 38.487 -0.311 0.000 1.551 47 N HN 0.119 nan 8.380 nan 0.000 0.487 48 P HA 0.130 nan 4.420 nan 0.000 0.273 48 P C -0.668 176.515 177.300 -0.194 0.000 1.250 48 P CA -0.168 62.739 63.100 -0.322 0.000 0.793 48 P CB 0.320 31.710 31.700 -0.516 0.000 1.011 49 T N 2.867 117.400 114.554 -0.035 0.000 2.784 49 T HA 0.175 4.525 4.350 0.001 0.000 0.291 49 T C -2.163 172.569 174.700 0.054 0.000 0.942 49 T CA -0.744 61.364 62.100 0.014 0.000 1.161 49 T CB -0.696 68.202 68.868 0.050 0.000 0.885 49 T HN 0.289 nan 8.240 nan 0.000 0.534 50 P HA 0.087 nan 4.420 nan 0.000 0.266 50 P C 1.120 178.434 177.300 0.023 0.000 1.195 50 P CA -0.259 62.889 63.100 0.081 0.000 0.768 50 P CB 0.626 32.361 31.700 0.058 0.000 0.838 51 E N 1.537 121.704 120.200 -0.057 0.000 2.049 51 E HA -0.146 4.205 4.350 0.001 0.000 0.198 51 E C 0.111 176.650 176.600 -0.102 0.000 1.007 51 E CA 1.633 57.914 56.400 -0.197 0.000 0.809 51 E CB -0.111 29.253 29.700 -0.560 0.000 0.749 51 E HN 0.525 nan 8.360 nan 0.000 0.450 52 N N -0.177 118.480 118.700 -0.071 0.000 2.346 52 N HA 0.358 5.098 4.740 0.001 0.000 0.289 52 N C -0.952 174.555 175.510 -0.004 0.000 1.027 52 N CA -0.290 52.745 53.050 -0.024 0.000 0.864 52 N CB 2.543 41.027 38.487 -0.004 0.000 1.370 52 N HN -0.025 nan 8.380 nan 0.000 0.481 53 L N 0.845 122.072 121.223 0.007 0.000 2.516 53 L HA 0.406 4.747 4.340 0.001 0.000 0.267 53 L C -1.077 175.804 176.870 0.018 0.000 0.957 53 L CA -0.365 54.486 54.840 0.018 0.000 0.860 53 L CB 2.084 44.154 42.059 0.018 0.000 1.265 53 L HN 0.463 nan 8.230 nan 0.000 0.403 54 E N 3.800 124.015 120.200 0.025 0.000 2.224 54 E HA 0.371 4.722 4.350 0.001 0.000 0.265 54 E C -1.457 175.160 176.600 0.029 0.000 0.878 54 E CA -0.746 55.668 56.400 0.024 0.000 0.759 54 E CB 2.466 32.181 29.700 0.025 0.000 1.164 54 E HN 0.428 nan 8.360 nan 0.000 0.414 55 V N 5.170 125.099 119.914 0.024 0.000 2.427 55 V HA 0.034 4.154 4.120 0.001 0.000 0.268 55 V C 0.792 176.905 176.094 0.033 0.000 1.046 55 V CA 0.138 62.454 62.300 0.027 0.000 0.970 55 V CB 1.169 33.003 31.823 0.019 0.000 1.001 55 V HN 0.628 nan 8.190 nan 0.000 0.476 56 V N 4.371 124.311 119.914 0.044 0.000 3.605 56 V HA 0.581 4.701 4.120 0.001 0.000 0.284 56 V C 0.851 176.977 176.094 0.053 0.000 1.386 56 V CA 1.169 63.497 62.300 0.047 0.000 1.053 56 V CB 0.457 32.312 31.823 0.053 0.000 0.857 56 V HN 0.921 nan 8.190 nan 0.000 0.436 57 G N -1.443 107.394 108.800 0.061 0.000 2.682 57 G HA2 0.288 4.249 3.960 0.001 0.000 0.303 57 G HA3 0.288 4.249 3.960 0.001 0.000 0.303 57 G C -0.613 174.325 174.900 0.063 0.000 1.341 57 G CA 0.120 45.261 45.100 0.070 0.000 0.784 57 G HN -0.085 nan 8.290 nan 0.000 0.497 58 D N -0.320 120.122 120.400 0.070 0.000 2.323 58 D HA 0.307 4.948 4.640 0.001 0.000 0.209 58 D C 1.380 177.715 176.300 0.058 0.000 0.973 58 D CA 1.796 55.830 54.000 0.056 0.000 0.874 58 D CB 0.389 41.221 40.800 0.054 0.000 0.930 58 D HN 1.197 nan 8.370 nan 0.000 0.521 59 G N 0.604 109.460 108.800 0.093 0.000 2.663 59 G HA2 0.030 3.990 3.960 0.001 0.000 0.686 59 G HA3 0.030 3.990 3.960 0.001 0.000 0.686 59 G C -0.674 174.322 174.900 0.160 0.000 1.246 59 G CA -0.499 44.635 45.100 0.056 0.000 0.795 59 G HN 0.195 nan 8.290 nan 0.000 0.627 60 F N -1.388 118.577 119.950 0.025 0.000 2.664 60 F HA 0.902 5.430 4.527 0.001 0.000 0.317 60 F C -0.381 175.435 175.800 0.028 0.000 1.108 60 F CA -1.579 56.436 58.000 0.026 0.000 0.957 60 F CB 1.932 40.950 39.000 0.030 0.000 1.365 60 F HN 0.592 nan 8.300 nan 0.000 0.475 61 K N 2.534 123.084 120.400 0.251 0.000 2.234 61 K HA 0.532 4.852 4.320 0.001 0.000 0.277 61 K C -0.722 176.032 176.600 0.256 0.000 1.038 61 K CA -0.565 55.803 56.287 0.135 0.000 0.888 61 K CB 0.800 33.359 32.500 0.098 0.000 1.091 61 K HN 0.738 nan 8.250 nan 0.000 0.467 62 I N 4.109 124.776 120.570 0.163 0.000 2.648 62 I HA -0.061 4.109 4.170 0.001 0.000 0.284 62 I C 1.021 177.225 176.117 0.146 0.000 1.153 62 I CA 0.046 61.476 61.300 0.216 0.000 1.426 62 I CB 0.783 38.887 38.000 0.174 0.000 1.381 62 I HN 0.720 nan 8.210 nan 0.000 0.571 63 T N 1.542 116.181 114.554 0.141 0.000 2.860 63 T HA 0.087 4.437 4.350 0.001 0.000 0.299 63 T C 1.160 175.899 174.700 0.065 0.000 1.045 63 T CA -0.787 61.366 62.100 0.087 0.000 1.071 63 T CB 1.153 70.063 68.868 0.071 0.000 0.985 63 T HN 0.590 nan 8.240 nan 0.000 0.537 64 S N 0.624 116.349 115.700 0.042 0.000 2.419 64 S HA 0.029 4.499 4.470 0.001 0.000 0.235 64 S C 0.986 175.603 174.600 0.027 0.000 1.019 64 S CA 0.675 58.891 58.200 0.026 0.000 0.982 64 S CB -0.161 63.048 63.200 0.015 0.000 0.789 64 S HN 0.758 nan 8.310 nan 0.000 0.490 65 S N -0.146 115.575 115.700 0.034 0.000 2.548 65 S HA 0.743 5.213 4.470 0.001 0.000 0.286 65 S C -0.751 173.875 174.600 0.044 0.000 1.098 65 S CA -0.959 57.261 58.200 0.032 0.000 0.930 65 S CB 0.979 64.192 63.200 0.021 0.000 1.070 65 S HN 0.359 nan 8.310 nan 0.000 0.480 66 I N 0.711 121.309 120.570 0.046 0.000 2.892 66 I HA 0.655 4.826 4.170 0.001 0.000 0.306 66 I C -0.765 175.372 176.117 0.033 0.000 1.078 66 I CA -1.088 60.243 61.300 0.052 0.000 1.032 66 I CB 2.000 40.047 38.000 0.079 0.000 1.229 66 I HN 0.464 nan 8.210 nan 0.000 0.435 67 N N 3.730 122.446 118.700 0.027 0.000 2.458 67 N HA 0.443 5.184 4.740 0.001 0.000 0.270 67 N C -1.170 174.345 175.510 0.008 0.000 1.102 67 N CA -0.502 52.556 53.050 0.014 0.000 0.967 67 N CB 1.366 39.857 38.487 0.007 0.000 1.078 67 N HN 0.440 nan 8.380 nan 0.000 0.471 68 L N 3.562 124.787 121.223 0.003 0.000 2.280 68 L HA 0.470 4.811 4.340 0.001 0.000 0.287 68 L C -1.129 175.735 176.870 -0.010 0.000 1.023 68 L CA -0.815 54.021 54.840 -0.008 0.000 0.819 68 L CB 1.124 43.180 42.059 -0.005 0.000 1.212 68 L HN 0.297 nan 8.230 nan 0.000 0.420 69 V N 3.617 123.521 119.914 -0.017 0.000 2.407 69 V HA 0.634 4.754 4.120 0.001 0.000 0.291 69 V C 0.678 176.762 176.094 -0.018 0.000 1.018 69 V CA 0.272 62.564 62.300 -0.014 0.000 0.842 69 V CB 1.183 32.999 31.823 -0.011 0.000 0.996 69 V HN 1.014 nan 8.190 nan 0.000 0.426 70 G N 4.216 113.008 108.800 -0.013 0.000 2.192 70 G HA2 -0.172 3.789 3.960 0.001 0.000 0.193 70 G HA3 -0.172 3.789 3.960 0.001 0.000 0.193 70 G C 0.414 175.307 174.900 -0.011 0.000 0.999 70 G CA 0.220 45.313 45.100 -0.011 0.000 0.659 70 G HN 0.755 nan 8.290 nan 0.000 0.503 71 E N 1.430 121.624 120.200 -0.012 0.000 2.268 71 E HA 0.048 4.399 4.350 0.001 0.000 0.195 71 E C 2.038 178.636 176.600 -0.003 0.000 0.995 71 E CA 1.415 57.809 56.400 -0.009 0.000 0.836 71 E CB -0.344 29.351 29.700 -0.008 0.000 0.763 71 E HN 0.822 nan 8.360 nan 0.000 0.491 72 E N 1.148 121.346 120.200 -0.002 0.000 2.150 72 E HA -0.159 4.192 4.350 0.001 0.000 0.193 72 E C 1.504 178.104 176.600 0.001 0.000 0.985 72 E CA 0.960 57.360 56.400 -0.000 0.000 0.814 72 E CB -0.071 29.629 29.700 -0.000 0.000 0.752 72 E HN 0.126 nan 8.360 nan 0.000 0.466 73 E N 1.197 121.397 120.200 0.000 0.000 2.127 73 E HA 0.161 4.511 4.350 0.001 0.000 0.191 73 E C 1.018 177.620 176.600 0.003 0.000 0.964 73 E CA 0.657 57.058 56.400 0.002 0.000 0.832 73 E CB -0.151 29.550 29.700 0.003 0.000 0.790 73 E HN 0.295 nan 8.360 nan 0.000 0.465 74 A N 1.814 124.634 122.820 0.001 0.000 2.366 74 A HA -0.002 4.319 4.320 0.001 0.000 0.250 74 A C -0.039 177.549 177.584 0.006 0.000 1.099 74 A CA -0.187 51.851 52.037 0.002 0.000 0.794 74 A CB -0.126 18.870 19.000 -0.006 0.000 1.056 74 A HN 0.080 nan 8.150 nan 0.000 0.499 75 D N -0.328 120.078 120.400 0.011 0.000 2.472 75 D HA -0.001 4.640 4.640 0.001 0.000 0.248 75 D C 1.194 177.508 176.300 0.023 0.000 1.174 75 D CA 0.840 54.850 54.000 0.015 0.000 0.883 75 D CB 0.467 41.281 40.800 0.022 0.000 1.149 75 D HN 0.618 nan 8.370 nan 0.000 0.488 76 E N 3.209 123.417 120.200 0.015 0.000 2.049 76 E HA -0.343 4.008 4.350 0.001 0.000 0.198 76 E C 1.163 177.787 176.600 0.040 0.000 1.007 76 E CA 1.282 57.693 56.400 0.018 0.000 0.809 76 E CB 0.068 29.772 29.700 0.007 0.000 0.749 76 E HN 0.566 nan 8.360 nan 0.000 0.450 77 N N 0.508 119.233 118.700 0.042 0.000 2.137 77 N HA -0.195 4.546 4.740 0.001 0.000 0.190 77 N C 1.672 177.322 175.510 0.234 0.000 1.017 77 N CA 1.385 54.490 53.050 0.092 0.000 0.859 77 N CB -0.499 37.982 38.487 -0.011 0.000 1.002 77 N HN 0.285 nan 8.380 nan 0.000 0.428 78 A N 0.710 123.658 122.820 0.212 0.000 1.898 78 A HA -0.040 4.280 4.320 0.001 0.000 0.216 78 A C 2.550 180.161 177.584 0.044 0.000 1.181 78 A CA 1.131 53.266 52.037 0.163 0.000 0.620 78 A CB -0.636 18.418 19.000 0.089 0.000 0.819 78 A HN 0.110 nan 8.150 nan 0.000 0.442 79 V N 0.740 120.676 119.914 0.037 0.000 2.358 79 V HA -0.281 3.840 4.120 0.001 0.000 0.246 79 V C 2.140 178.253 176.094 0.032 0.000 1.047 79 V CA 2.216 64.525 62.300 0.014 0.000 1.035 79 V CB -1.178 30.651 31.823 0.010 0.000 0.658 79 V HN 0.646 nan 8.190 nan 0.000 0.452 80 N N 0.406 119.137 118.700 0.052 0.000 2.149 80 N HA -0.181 4.560 4.740 0.001 0.000 0.188 80 N C 1.885 177.438 175.510 0.071 0.000 1.019 80 N CA 1.264 54.350 53.050 0.059 0.000 0.857 80 N CB -0.287 38.238 38.487 0.065 0.000 0.997 80 N HN 0.503 nan 8.380 nan 0.000 0.426 81 A N 0.889 123.756 122.820 0.078 0.000 1.930 81 A HA -0.075 4.245 4.320 0.001 0.000 0.217 81 A C 2.092 179.705 177.584 0.049 0.000 1.175 81 A CA 0.817 52.880 52.037 0.043 0.000 0.627 81 A CB -0.557 18.401 19.000 -0.069 0.000 0.815 81 A HN 0.232 nan 8.150 nan 0.000 0.443 82 L N 0.092 121.334 121.223 0.031 0.000 1.994 82 L HA -0.122 4.219 4.340 0.001 0.000 0.208 82 L C 2.427 179.387 176.870 0.150 0.000 1.071 82 L CA 1.969 56.858 54.840 0.081 0.000 0.745 82 L CB -0.695 41.356 42.059 -0.013 0.000 0.892 82 L HN 0.350 nan 8.230 nan 0.000 0.431 83 R N -0.477 120.076 120.500 0.089 0.000 2.091 83 R HA -0.220 4.120 4.340 0.001 0.000 0.238 83 R C 2.260 178.610 176.300 0.083 0.000 1.136 83 R CA 1.693 57.839 56.100 0.076 0.000 0.959 83 R CB -0.498 29.829 30.300 0.046 0.000 0.856 83 R HN 0.581 nan 8.270 nan 0.000 0.437 84 E N 0.218 120.474 120.200 0.092 0.000 2.077 84 E HA -0.222 4.129 4.350 0.001 0.000 0.193 84 E C 1.705 178.368 176.600 0.104 0.000 0.989 84 E CA 1.069 57.518 56.400 0.081 0.000 0.800 84 E CB -0.095 29.654 29.700 0.081 0.000 0.746 84 E HN 0.226 nan 8.360 nan 0.000 0.452 85 F N 1.426 121.385 119.950 0.015 0.000 2.051 85 F HA -0.174 4.353 4.527 0.001 0.000 0.296 85 F C 2.021 177.837 175.800 0.026 0.000 1.122 85 F CA 1.523 59.533 58.000 0.017 0.000 1.201 85 F CB -0.392 38.637 39.000 0.049 0.000 0.978 85 F HN -0.011 nan 8.300 nan 0.000 0.472 86 L N -0.465 120.819 121.223 0.101 0.000 2.081 86 L HA -0.281 4.060 4.340 0.001 0.000 0.212 86 L C 2.300 179.116 176.870 -0.089 0.000 1.080 86 L CA 1.870 56.710 54.840 0.001 0.000 0.754 86 L CB -1.376 40.748 42.059 0.109 0.000 0.893 86 L HN 0.229 nan 8.230 nan 0.000 0.433 87 T N -0.005 114.517 114.554 -0.054 0.000 2.668 87 T HA -0.148 4.203 4.350 0.001 0.000 0.262 87 T C 2.008 176.642 174.700 -0.111 0.000 1.045 87 T CA 1.359 63.422 62.100 -0.060 0.000 1.152 87 T CB -0.308 68.544 68.868 -0.027 0.000 0.864 87 T HN 0.447 nan 8.240 nan 0.000 0.419 88 A N 1.943 124.679 122.820 -0.141 0.000 2.076 88 A HA -0.109 4.212 4.320 0.001 0.000 0.220 88 A C 1.979 179.416 177.584 -0.244 0.000 1.160 88 A CA 1.260 53.197 52.037 -0.168 0.000 0.653 88 A CB -0.443 18.467 19.000 -0.150 0.000 0.801 88 A HN 0.503 nan 8.150 nan 0.000 0.455 89 N N -0.831 117.658 118.700 -0.352 0.000 2.203 89 N HA -0.022 4.718 4.740 0.001 0.000 0.207 89 N C -0.075 175.313 175.510 -0.204 0.000 1.130 89 N CA 0.391 53.225 53.050 -0.360 0.000 0.861 89 N CB 0.269 38.364 38.487 -0.652 0.000 1.005 89 N HN 0.462 nan 8.380 nan 0.000 0.507 90 N N 1.095 119.708 118.700 -0.145 0.000 2.783 90 N HA -0.167 4.574 4.740 0.001 0.000 0.247 90 N C -1.332 174.143 175.510 -0.059 0.000 1.089 90 N CA 0.422 53.421 53.050 -0.084 0.000 0.690 90 N CB -1.650 36.793 38.487 -0.072 0.000 0.991 90 N HN 0.297 nan 8.380 nan 0.000 0.552 91 I N 0.640 121.177 120.570 -0.054 0.000 2.354 91 I HA 0.228 4.398 4.170 0.001 0.000 0.286 91 I C 0.531 176.653 176.117 0.009 0.000 1.007 91 I CA -0.769 60.527 61.300 -0.007 0.000 1.167 91 I CB 1.210 39.227 38.000 0.027 0.000 1.320 91 I HN 0.018 nan 8.210 nan 0.000 0.458 92 E N 5.980 126.187 120.200 0.012 0.000 2.349 92 E HA 0.448 4.799 4.350 0.001 0.000 0.262 92 E C -0.437 176.178 176.600 0.024 0.000 1.088 92 E CA -0.473 55.935 56.400 0.013 0.000 0.899 92 E CB 2.186 31.890 29.700 0.007 0.000 1.044 92 E HN 0.441 nan 8.360 nan 0.000 0.420 93 I N 2.584 123.166 120.570 0.020 0.000 2.359 93 I HA 0.105 4.276 4.170 0.001 0.000 0.294 93 I C 0.304 176.429 176.117 0.015 0.000 0.987 93 I CA -0.728 60.584 61.300 0.021 0.000 1.225 93 I CB 0.877 38.888 38.000 0.018 0.000 1.366 93 I HN 0.127 nan 8.210 nan 0.000 0.466 94 N N 3.511 122.220 118.700 0.015 0.000 2.492 94 N HA 0.012 4.753 4.740 0.001 0.000 0.262 94 N C 1.085 176.600 175.510 0.007 0.000 1.202 94 N CA 0.037 53.093 53.050 0.010 0.000 0.926 94 N CB 1.226 39.720 38.487 0.011 0.000 1.078 94 N HN 0.674 nan 8.380 nan 0.000 0.454 95 S N 0.446 116.150 115.700 0.005 0.000 2.428 95 S HA -0.081 4.390 4.470 0.001 0.000 0.230 95 S C 0.445 175.047 174.600 0.003 0.000 1.014 95 S CA 0.491 58.693 58.200 0.004 0.000 0.957 95 S CB -0.158 63.044 63.200 0.003 0.000 0.784 95 S HN 0.749 nan 8.310 nan 0.000 0.499 96 E N 1.095 121.297 120.200 0.003 0.000 2.293 96 E HA 0.301 4.652 4.350 0.001 0.000 0.270 96 E C -1.328 175.273 176.600 0.002 0.000 0.879 96 E CA -1.014 55.387 56.400 0.002 0.000 0.756 96 E CB 0.852 30.553 29.700 0.002 0.000 1.208 96 E HN 0.079 nan 8.360 nan 0.000 0.428 97 N N 2.486 121.187 118.700 0.001 0.000 2.447 97 N HA -0.060 4.680 4.740 0.001 0.000 0.263 97 N C -1.186 174.324 175.510 0.000 0.000 1.226 97 N CA 0.544 53.594 53.050 0.001 0.000 0.906 97 N CB 0.676 39.162 38.487 -0.001 0.000 1.060 97 N HN 0.551 nan 8.380 nan 0.000 0.468 98 D N 4.709 125.109 120.400 0.001 0.000 2.549 98 D HA 0.302 4.942 4.640 0.001 0.000 0.251 98 D C -1.920 174.378 176.300 -0.003 0.000 1.153 98 D CA -2.002 51.998 54.000 0.000 0.000 0.861 98 D CB 1.824 42.626 40.800 0.003 0.000 1.207 98 D HN 0.338 nan 8.370 nan 0.000 0.543 99 P HA -0.035 nan 4.420 nan 0.000 0.234 99 P C 0.515 177.806 177.300 -0.016 0.000 1.167 99 P CA 0.393 63.486 63.100 -0.013 0.000 0.763 99 P CB 0.549 32.241 31.700 -0.013 0.000 0.835 100 N N -0.646 118.048 118.700 -0.009 0.000 2.415 100 N HA 0.015 4.755 4.740 0.001 0.000 0.176 100 N C 0.622 176.131 175.510 -0.002 0.000 1.042 100 N CA 0.420 53.465 53.050 -0.008 0.000 0.902 100 N CB -0.141 38.345 38.487 -0.002 0.000 0.986 100 N HN 0.083 nan 8.380 nan 0.000 0.447 101 S N 0.477 116.179 115.700 0.003 0.000 2.592 101 S HA 0.179 4.650 4.470 0.001 0.000 0.271 101 S C 0.358 174.967 174.600 0.015 0.000 1.326 101 S CA -0.337 57.873 58.200 0.017 0.000 1.024 101 S CB 1.007 64.220 63.200 0.020 0.000 0.921 101 S HN 0.134 nan 8.310 nan 0.000 0.527 102 T N 3.167 117.749 114.554 0.047 0.000 2.940 102 T HA 0.169 4.519 4.350 0.001 0.000 0.309 102 T C 0.171 174.901 174.700 0.051 0.000 1.056 102 T CA 0.065 62.206 62.100 0.068 0.000 1.137 102 T CB 0.122 69.101 68.868 0.185 0.000 0.976 102 T HN 0.533 nan 8.240 nan 0.000 0.547 103 T N 4.802 119.374 114.554 0.029 0.000 2.758 103 T HA 0.398 4.749 4.350 0.001 0.000 0.285 103 T C -0.605 174.112 174.700 0.028 0.000 0.981 103 T CA -0.760 61.351 62.100 0.019 0.000 0.965 103 T CB 0.851 69.716 68.868 -0.005 0.000 0.927 103 T HN 0.255 nan 8.240 nan 0.000 0.448 104 L N 5.380 126.606 121.223 0.005 0.000 2.276 104 L HA 0.579 4.919 4.340 0.001 0.000 0.286 104 L C -1.179 175.657 176.870 -0.057 0.000 1.024 104 L CA -0.984 53.827 54.840 -0.048 0.000 0.826 104 L CB 0.142 42.142 42.059 -0.099 0.000 1.211 104 L HN 0.571 nan 8.230 nan 0.000 0.422 105 I N 6.487 127.026 120.570 -0.052 0.000 2.339 105 I HA 0.461 4.632 4.170 0.001 0.000 0.290 105 I C 0.004 176.087 176.117 -0.056 0.000 0.994 105 I CA -0.098 61.178 61.300 -0.041 0.000 1.191 105 I CB 1.664 39.654 38.000 -0.017 0.000 1.343 105 I HN 0.465 nan 8.210 nan 0.000 0.458 106 I N 4.986 125.524 120.570 -0.054 0.000 2.545 106 I HA 0.915 5.086 4.170 0.001 0.000 0.292 106 I C -0.031 176.072 176.117 -0.024 0.000 1.040 106 I CA 0.082 61.350 61.300 -0.054 0.000 1.068 106 I CB 1.691 39.641 38.000 -0.084 0.000 1.251 106 I HN 0.731 nan 8.210 nan 0.000 0.424 107 G N 5.086 113.881 108.800 -0.009 0.000 2.342 107 G HA2 0.357 4.318 3.960 0.001 0.000 0.297 107 G HA3 0.357 4.318 3.960 0.001 0.000 0.297 107 G C -1.964 172.949 174.900 0.022 0.000 1.313 107 G CA -0.601 44.502 45.100 0.006 0.000 0.830 107 G HN 0.500 nan 8.290 nan 0.000 0.506 108 E N -1.191 119.024 120.200 0.025 0.000 2.243 108 E HA 0.577 4.928 4.350 0.001 0.000 0.260 108 E C 1.319 177.939 176.600 0.034 0.000 0.985 108 E CA -0.680 55.741 56.400 0.036 0.000 0.858 108 E CB 2.098 31.818 29.700 0.032 0.000 1.210 108 E HN 0.189 nan 8.360 nan 0.000 0.411 109 V N 0.942 120.879 119.914 0.039 0.000 2.392 109 V HA -0.274 3.846 4.120 0.001 0.000 0.249 109 V C 1.073 177.180 176.094 0.022 0.000 1.059 109 V CA 2.165 64.484 62.300 0.031 0.000 1.051 109 V CB -0.447 31.395 31.823 0.031 0.000 0.658 109 V HN 0.656 nan 8.190 nan 0.000 0.455 110 D N -0.524 119.889 120.400 0.021 0.000 2.178 110 D HA -0.082 4.559 4.640 0.001 0.000 0.201 110 D C 0.742 177.050 176.300 0.014 0.000 0.980 110 D CA 0.833 54.843 54.000 0.016 0.000 0.842 110 D CB -0.120 40.690 40.800 0.016 0.000 0.948 110 D HN 0.461 nan 8.370 nan 0.000 0.472 111 D N 0.580 120.988 120.400 0.014 0.000 2.339 111 D HA 0.110 4.751 4.640 0.001 0.000 0.245 111 D C -0.682 175.625 176.300 0.011 0.000 1.115 111 D CA 0.187 54.194 54.000 0.011 0.000 0.917 111 D CB 0.795 41.602 40.800 0.011 0.000 1.192 111 D HN 0.069 nan 8.370 nan 0.000 0.428 112 D N 0.928 121.333 120.400 0.008 0.000 2.454 112 D HA 0.392 5.032 4.640 0.001 0.000 0.225 112 D C -0.338 175.966 176.300 0.006 0.000 1.081 112 D CA -0.217 53.787 54.000 0.007 0.000 0.864 112 D CB 0.772 41.576 40.800 0.006 0.000 1.040 112 D HN 0.155 nan 8.370 nan 0.000 0.517 113 I N 3.543 124.116 120.570 0.007 0.000 2.493 113 I HA 0.215 4.386 4.170 0.001 0.000 0.279 113 I C -1.649 174.471 176.117 0.005 0.000 1.045 113 I CA -1.902 59.401 61.300 0.005 0.000 1.106 113 I CB 2.375 40.377 38.000 0.004 0.000 1.216 113 I HN 0.163 nan 8.210 nan 0.000 0.459 114 P HA -0.114 nan 4.420 nan 0.000 0.219 114 P C 0.954 178.256 177.300 0.003 0.000 1.150 114 P CA 1.325 64.427 63.100 0.004 0.000 0.814 114 P CB 0.456 32.157 31.700 0.002 0.000 0.787 115 E N -0.135 120.066 120.200 0.002 0.000 2.153 115 E HA -0.102 4.248 4.350 0.001 0.000 0.194 115 E C 2.178 178.779 176.600 0.003 0.000 0.988 115 E CA 0.623 57.023 56.400 0.000 0.000 0.811 115 E CB -0.800 28.899 29.700 -0.003 0.000 0.746 115 E HN 0.200 nan 8.360 nan 0.000 0.466 116 L N 0.837 122.063 121.223 0.005 0.000 2.027 116 L HA -0.200 4.141 4.340 0.001 0.000 0.206 116 L C 1.355 178.234 176.870 0.015 0.000 1.074 116 L CA 1.420 56.266 54.840 0.010 0.000 0.745 116 L CB -0.186 41.879 42.059 0.011 0.000 0.898 116 L HN 0.154 nan 8.230 nan 0.000 0.433 117 D N -0.479 119.929 120.400 0.013 0.000 2.144 117 D HA -0.227 4.414 4.640 0.001 0.000 0.199 117 D C 2.024 178.332 176.300 0.013 0.000 0.984 117 D CA 0.894 54.902 54.000 0.014 0.000 0.834 117 D CB -0.167 40.640 40.800 0.011 0.000 0.955 117 D HN 0.323 nan 8.370 nan 0.000 0.465 118 E N 1.009 121.214 120.200 0.009 0.000 2.028 118 E HA -0.109 4.242 4.350 0.001 0.000 0.191 118 E C 1.939 178.545 176.600 0.009 0.000 0.988 118 E CA 1.101 57.505 56.400 0.007 0.000 0.799 118 E CB -0.070 29.632 29.700 0.002 0.000 0.755 118 E HN 0.156 nan 8.360 nan 0.000 0.447 119 A N 0.888 123.715 122.820 0.011 0.000 2.014 119 A HA -0.045 4.275 4.320 0.001 0.000 0.218 119 A C 2.386 179.987 177.584 0.028 0.000 1.163 119 A CA 0.688 52.735 52.037 0.015 0.000 0.652 119 A CB -0.461 18.548 19.000 0.014 0.000 0.808 119 A HN 0.285 nan 8.150 nan 0.000 0.449 120 L N -0.940 120.301 121.223 0.030 0.000 2.217 120 L HA -0.060 4.280 4.340 0.001 0.000 0.211 120 L C 0.922 177.813 176.870 0.034 0.000 1.107 120 L CA 0.513 55.377 54.840 0.039 0.000 0.783 120 L CB -0.478 41.604 42.059 0.040 0.000 0.919 120 L HN 0.582 nan 8.230 nan 0.000 0.442 121 N N 0.592 119.307 118.700 0.026 0.000 2.714 121 N HA -0.229 4.511 4.740 0.001 0.000 0.253 121 N C 0.891 176.414 175.510 0.022 0.000 1.024 121 N CA 0.610 53.672 53.050 0.022 0.000 0.726 121 N CB -0.715 37.785 38.487 0.022 0.000 0.908 121 N HN 0.654 nan 8.380 nan 0.000 0.542 122 G N -1.427 107.385 108.800 0.021 0.000 2.217 122 G HA2 -0.271 3.689 3.960 0.001 0.000 0.246 122 G HA3 -0.271 3.689 3.960 0.001 0.000 0.246 122 G C 0.206 175.119 174.900 0.022 0.000 0.990 122 G CA 0.594 45.706 45.100 0.019 0.000 0.627 122 G HN 0.529 nan 8.290 nan 0.000 0.522 123 T N 1.179 115.751 114.554 0.029 0.000 2.806 123 T HA 0.606 4.957 4.350 0.001 0.000 0.290 123 T C 0.021 174.743 174.700 0.037 0.000 0.966 123 T CA 0.926 63.046 62.100 0.034 0.000 1.060 123 T CB 1.864 70.758 68.868 0.043 0.000 0.927 123 T HN 0.538 nan 8.240 nan 0.000 0.485 124 T N 0.566 115.140 114.554 0.034 0.000 2.868 124 T HA 0.595 4.945 4.350 0.001 0.000 0.306 124 T C 0.455 175.176 174.700 0.036 0.000 1.224 124 T CA -0.265 61.857 62.100 0.035 0.000 1.012 124 T CB 1.218 70.101 68.868 0.024 0.000 1.221 124 T HN 0.481 nan 8.240 nan 0.000 0.499 125 A N 1.680 124.528 122.820 0.047 0.000 2.275 125 A HA 0.258 4.579 4.320 0.001 0.000 0.212 125 A C 1.689 179.286 177.584 0.022 0.000 1.201 125 A CA 1.172 53.238 52.037 0.048 0.000 0.843 125 A CB -0.573 18.484 19.000 0.094 0.000 0.873 125 A HN 0.926 nan 8.150 nan 0.000 0.492 126 E N 2.804 123.012 120.200 0.014 0.000 2.086 126 E HA -0.276 4.074 4.350 0.001 0.000 0.200 126 E C 1.358 177.946 176.600 -0.019 0.000 1.012 126 E CA 2.210 58.611 56.400 0.002 0.000 0.812 126 E CB -0.435 29.267 29.700 0.003 0.000 0.743 126 E HN 0.648 nan 8.360 nan 0.000 0.453 127 N N 0.665 119.345 118.700 -0.034 0.000 2.398 127 N HA -0.000 4.740 4.740 0.001 0.000 0.188 127 N C 0.157 175.596 175.510 -0.118 0.000 1.122 127 N CA 0.203 53.215 53.050 -0.063 0.000 0.866 127 N CB -0.272 38.180 38.487 -0.058 0.000 0.970 127 N HN 0.260 nan 8.380 nan 0.000 0.462 128 L N 1.036 122.190 121.223 -0.115 0.000 2.399 128 L HA 0.246 4.587 4.340 0.001 0.000 0.266 128 L C 0.841 177.604 176.870 -0.179 0.000 1.114 128 L CA -1.075 53.641 54.840 -0.207 0.000 0.804 128 L CB 0.741 42.733 42.059 -0.112 0.000 1.146 128 L HN 0.127 nan 8.230 nan 0.000 0.451 129 K N 0.744 120.977 120.400 -0.278 0.000 2.187 129 K HA 0.176 4.496 4.320 0.001 0.000 0.247 129 K C -0.321 176.251 176.600 -0.047 0.000 1.019 129 K CA -0.640 55.552 56.287 -0.159 0.000 0.893 129 K CB 0.415 32.798 32.500 -0.195 0.000 1.025 129 K HN 0.377 nan 8.250 nan 0.000 0.500 130 E N 1.015 121.212 120.200 -0.005 0.000 2.508 130 E HA -0.169 4.182 4.350 0.001 0.000 0.266 130 E C -0.414 176.251 176.600 0.108 0.000 1.010 130 E CA 0.975 57.407 56.400 0.053 0.000 0.955 130 E CB 0.081 29.814 29.700 0.053 0.000 0.946 130 E HN 0.710 nan 8.360 nan 0.000 0.454 131 E N -1.162 119.150 120.200 0.186 0.000 3.799 131 E HA -0.222 4.129 4.350 0.001 0.000 0.320 131 E C 0.485 177.370 176.600 0.475 0.000 0.760 131 E CA 0.441 57.060 56.400 0.367 0.000 1.153 131 E CB -1.628 28.361 29.700 0.482 0.000 1.589 131 E HN 0.643 nan 8.360 nan 0.000 0.448 132 G N 0.298 109.274 108.800 0.292 0.000 2.606 132 G HA2 0.417 4.378 3.960 0.001 0.000 0.252 132 G HA3 0.417 4.378 3.960 0.001 0.000 0.252 132 G C -0.305 174.821 174.900 0.376 0.000 1.206 132 G CA 0.348 45.622 45.100 0.290 0.000 0.861 132 G HN 0.264 nan 8.290 nan 0.000 0.561 133 Y N -2.385 118.065 120.300 0.250 0.000 2.689 133 Y HA 0.745 5.296 4.550 0.001 0.000 0.333 133 Y C -0.420 175.575 175.900 0.158 0.000 1.208 133 Y CA -1.526 56.685 58.100 0.184 0.000 1.055 133 Y CB 0.953 39.529 38.460 0.194 0.000 1.304 133 Y HN 0.852 nan 8.280 nan 0.000 0.455 134 A N 2.127 125.119 122.820 0.286 0.000 2.350 134 A HA 0.814 5.134 4.320 0.001 0.000 0.324 134 A C -1.950 175.835 177.584 0.334 0.000 1.118 134 A CA -0.878 51.277 52.037 0.197 0.000 0.783 134 A CB 1.524 20.594 19.000 0.117 0.000 1.236 134 A HN 1.029 nan 8.150 nan 0.000 0.457 135 L N 2.831 124.220 121.223 0.276 0.000 2.441 135 L HA 0.667 5.007 4.340 0.001 0.000 0.270 135 L C -1.700 175.264 176.870 0.157 0.000 0.973 135 L CA -0.515 54.467 54.840 0.237 0.000 0.842 135 L CB 1.854 44.098 42.059 0.309 0.000 1.239 135 L HN 0.459 nan 8.230 nan 0.000 0.406 136 V N 3.310 123.300 119.914 0.126 0.000 2.444 136 V HA 0.550 4.671 4.120 0.001 0.000 0.294 136 V C -0.260 175.917 176.094 0.138 0.000 1.022 136 V CA -0.433 61.936 62.300 0.115 0.000 0.850 136 V CB 1.988 33.864 31.823 0.089 0.000 0.992 136 V HN 0.815 nan 8.190 nan 0.000 0.426 137 S N 4.133 119.934 115.700 0.168 0.000 2.530 137 S HA 0.648 5.119 4.470 0.001 0.000 0.322 137 S C -0.744 174.038 174.600 0.304 0.000 1.085 137 S CA -0.687 57.673 58.200 0.267 0.000 1.096 137 S CB 1.219 64.570 63.200 0.252 0.000 0.988 137 S HN 0.737 nan 8.310 nan 0.000 0.466 138 N N 2.148 121.014 118.700 0.278 0.000 2.503 138 N HA 0.162 4.902 4.740 0.001 0.000 0.287 138 N C -1.537 173.947 175.510 -0.043 0.000 1.096 138 N CA -0.090 53.055 53.050 0.158 0.000 0.936 138 N CB 1.854 40.394 38.487 0.088 0.000 1.570 138 N HN 0.895 nan 8.380 nan 0.000 0.504 139 D N 3.215 123.523 120.400 -0.153 0.000 2.803 139 D HA -0.154 4.486 4.640 0.001 0.000 0.233 139 D C 0.921 176.891 176.300 -0.551 0.000 1.182 139 D CA 2.396 56.203 54.000 -0.321 0.000 0.726 139 D CB -1.112 39.609 40.800 -0.132 0.000 0.987 139 D HN 1.053 nan 8.370 nan 0.000 0.412 140 G N 0.634 108.666 108.800 -1.281 0.000 2.179 140 G HA2 -0.336 3.625 3.960 0.001 0.000 0.260 140 G HA3 -0.336 3.625 3.960 0.001 0.000 0.260 140 G C 0.280 174.919 174.900 -0.434 0.000 0.977 140 G CA 0.596 45.124 45.100 -0.954 0.000 0.641 140 G HN 0.629 nan 8.290 nan 0.000 0.533 141 K N -0.333 119.897 120.400 -0.283 0.000 2.397 141 K HA 0.708 5.029 4.320 0.001 0.000 0.253 141 K C -0.661 176.041 176.600 0.170 0.000 0.932 141 K CA -0.834 55.449 56.287 -0.007 0.000 0.795 141 K CB 2.041 34.525 32.500 -0.026 0.000 1.159 141 K HN 0.147 nan 8.250 nan 0.000 0.424 142 I N 2.144 122.815 120.570 0.168 0.000 2.389 142 I HA 0.406 4.577 4.170 0.001 0.000 0.288 142 I C -0.640 175.495 176.117 0.029 0.000 0.999 142 I CA -0.546 60.843 61.300 0.149 0.000 1.129 142 I CB 1.988 40.085 38.000 0.162 0.000 1.288 142 I HN 0.596 nan 8.210 nan 0.000 0.444 143 A N 7.907 130.752 122.820 0.041 0.000 2.311 143 A HA 0.832 5.152 4.320 0.001 0.000 0.306 143 A C -0.675 176.922 177.584 0.023 0.000 1.189 143 A CA -0.391 51.656 52.037 0.016 0.000 0.791 143 A CB 0.541 19.562 19.000 0.036 0.000 1.172 143 A HN 0.674 nan 8.150 nan 0.000 0.481 144 I N 2.156 122.716 120.570 -0.016 0.000 2.382 144 I HA 0.356 4.527 4.170 0.001 0.000 0.286 144 I C -0.034 176.103 176.117 0.034 0.000 1.002 144 I CA -0.121 61.182 61.300 0.005 0.000 1.135 144 I CB 1.677 39.621 38.000 -0.094 0.000 1.288 144 I HN 0.786 nan 8.210 nan 0.000 0.448 145 E N 5.422 125.680 120.200 0.097 0.000 2.191 145 E HA 0.569 4.919 4.350 0.001 0.000 0.263 145 E C -0.516 176.180 176.600 0.160 0.000 0.881 145 E CA -0.624 55.835 56.400 0.097 0.000 0.757 145 E CB 1.777 31.526 29.700 0.081 0.000 1.147 145 E HN 0.740 nan 8.360 nan 0.000 0.414 146 G N 2.997 111.879 108.800 0.135 0.000 2.425 146 G HA2 0.088 4.049 3.960 0.001 0.000 0.302 146 G HA3 0.088 4.049 3.960 0.001 0.000 0.302 146 G C 0.526 175.505 174.900 0.131 0.000 1.159 146 G CA -0.437 44.770 45.100 0.179 0.000 0.865 146 G HN 0.551 nan 8.290 nan 0.000 0.515 147 K N 0.018 120.503 120.400 0.143 0.000 2.148 147 K HA -0.023 4.297 4.320 0.001 0.000 0.204 147 K C 0.495 177.139 176.600 0.072 0.000 1.050 147 K CA 1.891 58.231 56.287 0.089 0.000 0.942 147 K CB -0.024 32.523 32.500 0.078 0.000 0.724 147 K HN 0.748 nan 8.250 nan 0.000 0.446 148 D N -4.621 115.830 120.400 0.085 0.000 2.752 148 D HA 0.311 4.952 4.640 0.001 0.000 0.313 148 D C 1.005 177.337 176.300 0.054 0.000 1.225 148 D CA -0.339 53.697 54.000 0.059 0.000 0.976 148 D CB 0.137 40.968 40.800 0.052 0.000 1.443 148 D HN -0.121 nan 8.370 nan 0.000 0.515 149 G N -0.740 108.075 108.800 0.025 0.000 2.422 149 G HA2 -0.222 3.738 3.960 0.001 0.000 0.218 149 G HA3 -0.222 3.738 3.960 0.001 0.000 0.218 149 G C 0.829 175.712 174.900 -0.029 0.000 1.146 149 G CA 0.850 45.953 45.100 0.004 0.000 0.769 149 G HN 0.499 nan 8.290 nan 0.000 0.547 150 D N 0.774 121.129 120.400 -0.075 0.000 2.117 150 D HA -0.071 4.570 4.640 0.001 0.000 0.197 150 D C 2.650 178.794 176.300 -0.260 0.000 0.987 150 D CA 1.273 55.128 54.000 -0.242 0.000 0.829 150 D CB -0.727 39.983 40.800 -0.150 0.000 0.961 150 D HN 0.315 nan 8.370 nan 0.000 0.460 151 G N 0.042 108.864 108.800 0.037 0.000 2.422 151 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 151 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 151 G C 1.672 176.667 174.900 0.159 0.000 1.146 151 G CA 1.381 46.626 45.100 0.242 0.000 0.769 151 G HN 0.246 nan 8.290 nan 0.000 0.547 152 T N 0.541 115.139 114.554 0.073 0.000 2.904 152 T HA -0.033 4.318 4.350 0.001 0.000 0.267 152 T C 1.883 176.563 174.700 -0.034 0.000 1.059 152 T CA 0.709 62.822 62.100 0.022 0.000 1.137 152 T CB -0.219 68.663 68.868 0.024 0.000 0.879 152 T HN 0.256 nan 8.240 nan 0.000 0.467 153 F N 1.326 121.167 119.950 -0.181 0.000 2.095 153 F HA -0.194 4.334 4.527 0.001 0.000 0.298 153 F C 1.940 177.647 175.800 -0.155 0.000 1.104 153 F CA 1.301 59.178 58.000 -0.205 0.000 1.232 153 F CB -0.349 38.472 39.000 -0.298 0.000 0.987 153 F HN 0.104 nan 8.300 nan 0.000 0.475 154 Y N 0.600 120.905 120.300 0.009 0.000 2.242 154 Y HA -0.001 4.549 4.550 0.001 0.000 0.291 154 Y C 2.726 178.230 175.900 -0.660 0.000 1.137 154 Y CA 0.613 58.584 58.100 -0.215 0.000 1.181 154 Y CB -1.617 36.896 38.460 0.087 0.000 0.989 154 Y HN 0.134 nan 8.280 nan 0.000 0.527 155 G N -0.279 108.087 108.800 -0.724 0.000 2.440 155 G HA2 -0.224 3.736 3.960 0.001 0.000 0.218 155 G HA3 -0.224 3.736 3.960 0.001 0.000 0.218 155 G C 1.886 176.512 174.900 -0.457 0.000 1.154 155 G CA 1.471 45.990 45.100 -0.969 0.000 0.767 155 G HN 0.299 nan 8.290 nan 0.000 0.552 156 V N 0.549 120.253 119.914 -0.351 0.000 2.407 156 V HA -0.205 3.916 4.120 0.001 0.000 0.248 156 V C 3.036 178.958 176.094 -0.287 0.000 1.055 156 V CA 1.934 64.070 62.300 -0.273 0.000 1.049 156 V CB -0.387 31.253 31.823 -0.306 0.000 0.662 156 V HN 0.299 nan 8.190 nan 0.000 0.455 157 Q N -0.000 119.560 119.800 -0.399 0.000 2.050 157 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 157 Q C 2.396 178.215 176.000 -0.302 0.000 0.980 157 Q CA 2.308 57.891 55.803 -0.367 0.000 0.840 157 Q CB -1.184 27.348 28.738 -0.342 0.000 0.898 157 Q HN 0.672 nan 8.270 nan 0.000 0.424 158 T N 1.515 115.899 114.554 -0.282 0.000 2.720 158 T HA -0.151 4.199 4.350 0.001 0.000 0.268 158 T C 1.534 176.141 174.700 -0.155 0.000 1.037 158 T CA 1.306 63.294 62.100 -0.187 0.000 1.144 158 T CB -0.527 68.288 68.868 -0.089 0.000 0.864 158 T HN 0.277 nan 8.240 nan 0.000 0.444 159 F N 2.325 122.096 119.950 -0.298 0.000 2.091 159 F HA -0.139 4.388 4.527 0.001 0.000 0.299 159 F C 2.090 177.621 175.800 -0.449 0.000 1.103 159 F CA 1.385 59.203 58.000 -0.303 0.000 1.228 159 F CB -0.260 38.565 39.000 -0.292 0.000 0.984 159 F HN 0.003 nan 8.300 nan 0.000 0.477 160 K N -0.230 119.733 120.400 -0.727 0.000 2.148 160 K HA -0.167 4.153 4.320 0.001 0.000 0.204 160 K C 2.063 178.309 176.600 -0.590 0.000 1.050 160 K CA 1.630 57.236 56.287 -1.135 0.000 0.942 160 K CB -0.259 31.721 32.500 -0.867 0.000 0.724 160 K HN 0.477 nan 8.250 nan 0.000 0.446 161 Q N 0.010 119.585 119.800 -0.374 0.000 2.245 161 Q HA -0.054 4.287 4.340 0.001 0.000 0.201 161 Q C 1.710 177.584 176.000 -0.210 0.000 0.955 161 Q CA 0.563 56.232 55.803 -0.224 0.000 0.870 161 Q CB 0.128 28.765 28.738 -0.169 0.000 0.945 161 Q HN 0.135 nan 8.270 nan 0.000 0.461 162 L N 0.035 121.094 121.223 -0.272 0.000 2.156 162 L HA -0.014 4.326 4.340 0.001 0.000 0.208 162 L C 0.704 177.424 176.870 -0.250 0.000 1.095 162 L CA 0.996 55.701 54.840 -0.226 0.000 0.770 162 L CB -0.143 41.797 42.059 -0.198 0.000 0.914 162 L HN -0.062 nan 8.230 nan 0.000 0.439 163 V N 1.647 121.350 119.914 -0.352 0.000 2.461 163 V HA 0.247 4.367 4.120 0.001 0.000 0.275 163 V C 0.083 176.120 176.094 -0.095 0.000 1.047 163 V CA -0.576 61.573 62.300 -0.251 0.000 0.955 163 V CB 1.012 32.641 31.823 -0.324 0.000 0.988 163 V HN 0.128 nan 8.190 nan 0.000 0.471 164 K N 3.966 124.314 120.400 -0.086 0.000 2.579 164 K HA 0.388 4.709 4.320 0.001 0.000 0.250 164 K C 0.032 176.600 176.600 -0.054 0.000 0.952 164 K CA -0.582 55.672 56.287 -0.055 0.000 0.857 164 K CB 1.582 34.048 32.500 -0.056 0.000 1.123 164 K HN 0.774 nan 8.250 nan 0.000 0.433 165 E N 1.346 121.516 120.200 -0.049 0.000 2.297 165 E HA -0.265 4.086 4.350 0.001 0.000 0.228 165 E C -0.408 176.167 176.600 -0.043 0.000 1.213 165 E CA 0.754 57.125 56.400 -0.048 0.000 0.712 165 E CB -1.393 28.283 29.700 -0.040 0.000 1.202 165 E HN 0.805 nan 8.360 nan 0.000 0.376 166 S N -2.418 113.256 115.700 -0.044 0.000 2.361 166 S HA -0.202 4.269 4.470 0.001 0.000 0.247 166 S C 0.310 174.880 174.600 -0.050 0.000 1.218 166 S CA 1.329 59.513 58.200 -0.027 0.000 1.502 166 S CB -0.503 62.694 63.200 -0.006 0.000 1.893 166 S HN 0.522 nan 8.310 nan 0.000 0.610 167 N N 0.929 119.585 118.700 -0.073 0.000 2.514 167 N HA 0.602 5.342 4.740 0.001 0.000 0.277 167 N C -0.437 174.961 175.510 -0.187 0.000 1.126 167 N CA 0.100 53.081 53.050 -0.116 0.000 0.978 167 N CB 1.141 39.581 38.487 -0.079 0.000 1.106 167 N HN 0.588 nan 8.380 nan 0.000 0.461 168 I N 2.339 122.722 120.570 -0.313 0.000 2.647 168 I HA 0.411 4.582 4.170 0.001 0.000 0.295 168 I C -2.479 173.442 176.117 -0.327 0.000 1.078 168 I CA -2.477 58.616 61.300 -0.346 0.000 1.048 168 I CB 2.971 40.718 38.000 -0.423 0.000 1.239 168 I HN 0.281 nan 8.210 nan 0.000 0.421 169 P HA 0.120 nan 4.420 nan 0.000 0.272 169 P C -1.319 175.938 177.300 -0.072 0.000 1.230 169 P CA -0.081 62.957 63.100 -0.104 0.000 0.788 169 P CB 0.535 32.201 31.700 -0.057 0.000 0.949 170 E N 0.470 120.682 120.200 0.020 0.000 2.046 170 E HA 0.344 4.695 4.350 0.001 0.000 0.279 170 E C -0.270 176.379 176.600 0.082 0.000 0.989 170 E CA -0.645 55.822 56.400 0.111 0.000 0.798 170 E CB 0.815 30.623 29.700 0.181 0.000 1.086 170 E HN 0.269 nan 8.360 nan 0.000 0.399 171 V N 1.026 120.992 119.914 0.086 0.000 3.007 171 V HA 0.552 4.673 4.120 0.001 0.000 0.311 171 V C -0.807 175.336 176.094 0.082 0.000 1.120 171 V CA -1.191 61.151 62.300 0.069 0.000 0.980 171 V CB 2.098 33.953 31.823 0.054 0.000 1.033 171 V HN 0.664 nan 8.190 nan 0.000 0.429 172 N N 2.651 121.392 118.700 0.068 0.000 2.321 172 N HA 0.756 5.496 4.740 0.001 0.000 0.299 172 N C -1.326 174.222 175.510 0.062 0.000 1.048 172 N CA -0.845 52.247 53.050 0.071 0.000 0.836 172 N CB 2.800 41.324 38.487 0.062 0.000 1.269 172 N HN 0.720 nan 8.380 nan 0.000 0.486 173 I N 1.197 121.813 120.570 0.076 0.000 2.499 173 I HA 0.251 4.422 4.170 0.001 0.000 0.288 173 I C -0.414 175.708 176.117 0.007 0.000 1.048 173 I CA -0.717 60.615 61.300 0.053 0.000 1.062 173 I CB 2.311 40.378 38.000 0.111 0.000 1.238 173 I HN 0.621 nan 8.210 nan 0.000 0.426 174 T N 0.547 115.078 114.554 -0.037 0.000 2.807 174 T HA 0.678 5.028 4.350 0.001 0.000 0.279 174 T C -0.965 173.642 174.700 -0.155 0.000 0.993 174 T CA -0.703 61.349 62.100 -0.080 0.000 0.970 174 T CB 2.329 71.210 68.868 0.023 0.000 0.950 174 T HN 0.458 nan 8.240 nan 0.000 0.441 175 D N 1.272 121.476 120.400 -0.328 0.000 2.753 175 D HA 0.620 5.261 4.640 0.001 0.000 0.224 175 D C -1.603 174.650 176.300 -0.078 0.000 1.213 175 D CA -0.361 53.444 54.000 -0.325 0.000 0.833 175 D CB 1.791 42.308 40.800 -0.471 0.000 1.607 175 D HN 0.766 nan 8.370 nan 0.000 0.463 176 Y N -0.945 119.257 120.300 -0.162 0.000 2.620 176 Y HA 0.574 5.125 4.550 0.001 0.000 0.331 176 Y C -3.090 172.085 175.900 -1.209 0.000 1.173 176 Y CA -1.918 55.891 58.100 -0.485 0.000 1.076 176 Y CB 0.770 39.057 38.460 -0.288 0.000 1.336 176 Y HN 0.066 nan 8.280 nan 0.000 0.459 177 P HA 0.223 nan 4.420 nan 0.000 0.281 177 P C 0.045 177.004 177.300 -0.570 0.000 1.249 177 P CA -0.096 62.140 63.100 -1.440 0.000 0.810 177 P CB 2.119 33.243 31.700 -0.960 0.000 1.008 178 T N 0.280 114.565 114.554 -0.450 0.000 2.732 178 T HA 0.021 4.371 4.350 0.001 0.000 0.261 178 T C 0.881 175.476 174.700 -0.174 0.000 1.040 178 T CA 1.083 63.035 62.100 -0.246 0.000 1.145 178 T CB -0.144 68.569 68.868 -0.258 0.000 0.866 178 T HN 0.210 nan 8.240 nan 0.000 0.427 179 V N 1.672 121.480 119.914 -0.177 0.000 2.483 179 V HA 0.361 4.482 4.120 0.001 0.000 0.295 179 V C 1.259 177.318 176.094 -0.059 0.000 1.035 179 V CA -0.384 61.864 62.300 -0.086 0.000 0.896 179 V CB 1.697 33.479 31.823 -0.069 0.000 0.986 179 V HN 0.337 nan 8.190 nan 0.000 0.447 180 S N 3.560 119.254 115.700 -0.010 0.000 2.406 180 S HA 0.124 4.594 4.470 0.001 0.000 0.228 180 S C 0.777 175.371 174.600 -0.010 0.000 1.020 180 S CA 0.811 59.015 58.200 0.007 0.000 0.965 180 S CB 0.036 63.265 63.200 0.049 0.000 0.798 180 S HN 1.056 nan 8.310 nan 0.000 0.488 181 A N 0.907 123.675 122.820 -0.087 0.000 2.331 181 A HA 0.831 5.152 4.320 0.001 0.000 0.320 181 A C -0.599 176.818 177.584 -0.278 0.000 1.138 181 A CA -0.896 50.951 52.037 -0.316 0.000 0.790 181 A CB 0.926 19.398 19.000 -0.878 0.000 1.206 181 A HN 0.518 nan 8.150 nan 0.000 0.470 182 R N 1.758 122.154 120.500 -0.175 0.000 2.531 182 R HA 0.618 4.959 4.340 0.001 0.000 0.293 182 R C 0.026 176.296 176.300 -0.051 0.000 1.124 182 R CA -0.087 56.005 56.100 -0.013 0.000 0.945 182 R CB 2.214 32.559 30.300 0.074 0.000 1.195 182 R HN 1.174 nan 8.270 nan 0.000 0.433 183 G N 1.992 110.755 108.800 -0.061 0.000 2.500 183 G HA2 0.467 4.428 3.960 0.001 0.000 0.299 183 G HA3 0.467 4.428 3.960 0.001 0.000 0.299 183 G C -1.843 172.961 174.900 -0.161 0.000 1.242 183 G CA -0.511 44.503 45.100 -0.144 0.000 0.859 183 G HN 0.218 nan 8.290 nan 0.000 0.481 184 I N 0.078 120.542 120.570 -0.176 0.000 2.530 184 I HA 0.600 4.771 4.170 0.001 0.000 0.297 184 I C -0.280 175.812 176.117 -0.042 0.000 1.011 184 I CA -1.015 60.235 61.300 -0.083 0.000 1.107 184 I CB 1.953 39.950 38.000 -0.005 0.000 1.285 184 I HN 0.341 nan 8.210 nan 0.000 0.436 185 V N 6.400 126.186 119.914 -0.214 0.000 2.357 185 V HA 0.377 4.497 4.120 0.001 0.000 0.284 185 V C 0.168 176.025 176.094 -0.396 0.000 1.018 185 V CA -0.368 61.687 62.300 -0.409 0.000 0.841 185 V CB 1.336 32.630 31.823 -0.882 0.000 0.991 185 V HN 0.827 nan 8.190 nan 0.000 0.437 186 E N 4.673 124.658 120.200 -0.358 0.000 1.972 186 E HA 0.290 4.641 4.350 0.001 0.000 0.292 186 E C 0.943 177.078 176.600 -0.775 0.000 1.193 186 E CA 0.371 56.450 56.400 -0.537 0.000 1.228 186 E CB 0.114 29.510 29.700 -0.507 0.000 1.167 186 E HN 0.939 nan 8.360 nan 0.000 0.479 187 G N 3.079 111.528 108.800 -0.585 0.000 3.519 187 G HA2 0.066 4.026 3.960 0.001 0.000 0.269 187 G HA3 0.066 4.026 3.960 0.001 0.000 0.269 187 G C 0.064 174.819 174.900 -0.242 0.000 1.028 187 G CA -0.439 44.466 45.100 -0.325 0.000 0.809 187 G HN 0.366 nan 8.290 nan 0.000 0.521 188 F N -0.227 119.620 119.950 -0.171 0.000 2.418 188 F HA 0.719 5.246 4.527 0.001 0.000 0.341 188 F C 0.074 175.783 175.800 -0.151 0.000 1.120 188 F CA -2.211 55.745 58.000 -0.072 0.000 1.232 188 F CB 0.322 39.272 39.000 -0.083 0.000 1.175 188 F HN -0.034 nan 8.300 nan 0.000 0.569 189 Y N 0.952 121.371 120.300 0.198 0.000 2.340 189 Y HA 0.582 5.133 4.550 0.001 0.000 0.327 189 Y C 1.063 177.081 175.900 0.197 0.000 1.321 189 Y CA 0.141 58.319 58.100 0.130 0.000 1.433 189 Y CB 0.645 39.177 38.460 0.119 0.000 1.373 189 Y HN 1.123 nan 8.280 nan 0.000 0.538 190 G N -0.306 108.681 108.800 0.311 0.000 2.660 190 G HA2 -0.180 3.781 3.960 0.001 0.000 0.247 190 G HA3 -0.180 3.781 3.960 0.001 0.000 0.247 190 G C -0.324 174.681 174.900 0.174 0.000 1.328 190 G CA -0.652 44.568 45.100 0.200 0.000 0.884 190 G HN 1.060 nan 8.290 nan 0.000 0.531 191 T N 1.104 115.733 114.554 0.125 0.000 2.829 191 T HA 0.511 4.861 4.350 0.001 0.000 0.293 191 T C -1.480 173.341 174.700 0.203 0.000 0.970 191 T CA 0.005 62.181 62.100 0.127 0.000 1.168 191 T CB 0.692 69.616 68.868 0.093 0.000 0.911 191 T HN 0.526 nan 8.240 nan 0.000 0.535 192 P HA 0.127 nan 4.420 nan 0.000 0.270 192 P C -0.095 177.432 177.300 0.378 0.000 1.223 192 P CA -0.583 62.651 63.100 0.224 0.000 0.785 192 P CB 0.326 32.087 31.700 0.100 0.000 0.923 193 W N 1.145 122.610 121.300 0.275 0.000 2.170 193 W HA 0.100 4.761 4.660 0.001 0.000 0.342 193 W C 1.042 177.656 176.519 0.158 0.000 1.294 193 W CA -0.302 57.161 57.345 0.196 0.000 1.246 193 W CB -0.958 28.644 29.460 0.237 0.000 1.156 193 W HN 0.324 nan 8.180 nan 0.000 0.572 194 T N -1.167 113.584 114.554 0.328 0.000 2.813 194 T HA -0.054 4.297 4.350 0.001 0.000 0.297 194 T C 1.104 175.970 174.700 0.277 0.000 1.036 194 T CA 0.187 62.433 62.100 0.243 0.000 1.044 194 T CB 0.833 69.789 68.868 0.147 0.000 0.993 194 T HN 0.500 nan 8.240 nan 0.000 0.535 195 H N 0.737 119.901 119.070 0.158 0.000 2.352 195 H HA -0.078 4.478 4.556 0.001 0.000 0.299 195 H C 2.214 177.594 175.328 0.085 0.000 1.097 195 H CA 2.221 58.354 56.048 0.142 0.000 1.311 195 H CB -0.120 29.707 29.762 0.108 0.000 1.377 195 H HN 0.534 nan 8.280 nan 0.000 0.504 196 Q N 0.275 120.069 119.800 -0.009 0.000 2.119 196 Q HA -0.112 4.228 4.340 0.001 0.000 0.201 196 Q C 1.855 177.771 176.000 -0.140 0.000 0.972 196 Q CA 1.267 57.004 55.803 -0.110 0.000 0.847 196 Q CB -0.230 28.482 28.738 -0.043 0.000 0.903 196 Q HN 0.603 nan 8.270 nan 0.000 0.433 197 D N 0.414 120.752 120.400 -0.103 0.000 2.133 197 D HA -0.156 4.485 4.640 0.001 0.000 0.195 197 D C 2.012 178.134 176.300 -0.296 0.000 0.997 197 D CA 1.042 54.901 54.000 -0.236 0.000 0.840 197 D CB -0.091 40.567 40.800 -0.237 0.000 0.947 197 D HN 0.158 nan 8.370 nan 0.000 0.452 198 R N -0.375 120.076 120.500 -0.081 0.000 2.066 198 R HA -0.075 4.265 4.340 0.001 0.000 0.232 198 R C 2.155 178.354 176.300 -0.169 0.000 1.131 198 R CA 0.534 56.634 56.100 -0.000 0.000 0.955 198 R CB -0.227 30.228 30.300 0.257 0.000 0.851 198 R HN 0.089 nan 8.270 nan 0.000 0.432 199 L N 0.964 122.060 121.223 -0.212 0.000 2.042 199 L HA -0.218 4.123 4.340 0.001 0.000 0.210 199 L C 1.882 178.626 176.870 -0.209 0.000 1.076 199 L CA 1.924 56.635 54.840 -0.216 0.000 0.749 199 L CB -1.022 40.881 42.059 -0.260 0.000 0.893 199 L HN 0.223 nan 8.230 nan 0.000 0.432 200 D N -1.760 118.501 120.400 -0.232 0.000 2.117 200 D HA -0.189 4.451 4.640 0.001 0.000 0.198 200 D C 2.103 178.228 176.300 -0.292 0.000 0.982 200 D CA 0.805 54.668 54.000 -0.227 0.000 0.828 200 D CB 0.205 40.864 40.800 -0.236 0.000 0.967 200 D HN 0.206 nan 8.370 nan 0.000 0.464 201 Q N 0.093 119.624 119.800 -0.448 0.000 2.061 201 Q HA -0.156 4.184 4.340 0.001 0.000 0.204 201 Q C 2.604 177.946 176.000 -1.095 0.000 0.984 201 Q CA 1.004 56.374 55.803 -0.722 0.000 0.846 201 Q CB -0.369 27.922 28.738 -0.744 0.000 0.902 201 Q HN 0.511 nan 8.270 nan 0.000 0.421 202 I N 0.677 120.830 120.570 -0.696 0.000 2.208 202 I HA -0.305 3.865 4.170 0.001 0.000 0.245 202 I C 2.587 178.594 176.117 -0.184 0.000 1.097 202 I CA 1.321 62.380 61.300 -0.401 0.000 1.363 202 I CB -0.242 37.680 38.000 -0.130 0.000 1.051 202 I HN 0.169 nan 8.210 nan 0.000 0.413 203 K N 0.596 120.916 120.400 -0.134 0.000 2.057 203 K HA -0.226 4.095 4.320 0.001 0.000 0.206 203 K C 2.211 178.831 176.600 0.032 0.000 1.050 203 K CA 1.462 57.742 56.287 -0.011 0.000 0.935 203 K CB -0.234 32.258 32.500 -0.013 0.000 0.715 203 K HN 0.117 nan 8.250 nan 0.000 0.439 204 F N 0.844 120.687 119.950 -0.179 0.000 2.126 204 F HA -0.267 4.261 4.527 0.001 0.000 0.299 204 F C 1.529 177.363 175.800 0.057 0.000 1.096 204 F CA 1.515 59.455 58.000 -0.101 0.000 1.255 204 F CB -0.392 38.510 39.000 -0.163 0.000 0.997 204 F HN 0.075 nan 8.300 nan 0.000 0.479 205 Y N 0.437 120.713 120.300 -0.040 0.000 2.145 205 Y HA -0.034 4.516 4.550 0.001 0.000 0.286 205 Y C 2.861 178.732 175.900 -0.049 0.000 1.145 205 Y CA 0.626 58.667 58.100 -0.097 0.000 1.148 205 Y CB -1.732 36.754 38.460 0.044 0.000 0.981 205 Y HN 0.097 nan 8.280 nan 0.000 0.507 206 G N -0.156 108.782 108.800 0.231 0.000 2.469 206 G HA2 -0.294 3.667 3.960 0.001 0.000 0.219 206 G HA3 -0.294 3.667 3.960 0.001 0.000 0.219 206 G C 1.556 176.606 174.900 0.251 0.000 1.150 206 G CA 1.201 46.527 45.100 0.376 0.000 0.763 206 G HN 0.456 nan 8.290 nan 0.000 0.561 207 E N 0.241 120.462 120.200 0.036 0.000 2.153 207 E HA -0.048 4.302 4.350 0.001 0.000 0.194 207 E C 1.434 177.899 176.600 -0.225 0.000 0.988 207 E CA 0.665 57.004 56.400 -0.102 0.000 0.811 207 E CB 0.034 29.680 29.700 -0.090 0.000 0.746 207 E HN 0.393 nan 8.360 nan 0.000 0.466 208 N N 0.188 118.704 118.700 -0.307 0.000 2.238 208 N HA 0.065 4.806 4.740 0.001 0.000 0.222 208 N C -0.666 174.597 175.510 -0.411 0.000 1.133 208 N CA 0.116 52.915 53.050 -0.419 0.000 0.854 208 N CB 0.781 38.923 38.487 -0.574 0.000 1.041 208 N HN 0.030 nan 8.380 nan 0.000 0.510 209 K N 0.362 120.552 120.400 -0.351 0.000 3.230 209 K HA -0.153 4.167 4.320 0.001 0.000 0.285 209 K C -0.547 175.896 176.600 -0.262 0.000 1.196 209 K CA 0.504 56.423 56.287 -0.613 0.000 0.838 209 K CB -1.763 29.970 32.500 -1.278 0.000 1.262 209 K HN 0.256 nan 8.250 nan 0.000 0.492 210 L N 1.830 123.020 121.223 -0.054 0.000 2.290 210 L HA 0.141 4.482 4.340 0.001 0.000 0.284 210 L C 1.377 178.334 176.870 0.146 0.000 1.078 210 L CA -0.433 54.423 54.840 0.027 0.000 0.815 210 L CB 0.614 42.645 42.059 -0.047 0.000 1.162 210 L HN 0.205 nan 8.230 nan 0.000 0.435 211 N N -0.200 118.583 118.700 0.139 0.000 2.205 211 N HA 0.028 4.769 4.740 0.001 0.000 0.201 211 N C -0.204 175.376 175.510 0.118 0.000 1.128 211 N CA -0.253 52.908 53.050 0.185 0.000 0.867 211 N CB 0.697 39.327 38.487 0.239 0.000 0.996 211 N HN 0.402 nan 8.380 nan 0.000 0.503 212 T N 0.404 114.991 114.554 0.055 0.000 2.848 212 T HA 0.296 4.647 4.350 0.001 0.000 0.285 212 T C -1.898 172.884 174.700 0.136 0.000 0.995 212 T CA -0.549 61.580 62.100 0.047 0.000 0.970 212 T CB 1.555 70.344 68.868 -0.132 0.000 0.976 212 T HN 0.225 nan 8.240 nan 0.000 0.441 213 Y N 3.718 124.052 120.300 0.057 0.000 2.333 213 Y HA 0.563 5.114 4.550 0.001 0.000 0.324 213 Y C -1.044 174.845 175.900 -0.019 0.000 1.033 213 Y CA -1.198 56.952 58.100 0.084 0.000 1.224 213 Y CB 0.548 39.192 38.460 0.307 0.000 1.120 213 Y HN 0.588 nan 8.280 nan 0.000 0.457 214 I N 7.354 127.777 120.570 -0.246 0.000 2.308 214 I HA 0.027 4.197 4.170 0.001 0.000 0.293 214 I C -0.704 174.982 176.117 -0.718 0.000 1.078 214 I CA -0.414 60.636 61.300 -0.416 0.000 1.292 214 I CB 0.128 38.014 38.000 -0.189 0.000 1.423 214 I HN 0.609 nan 8.210 nan 0.000 0.493 215 Y N 7.284 126.910 120.300 -1.124 0.000 2.436 215 Y HA 0.491 5.041 4.550 0.001 0.000 0.343 215 Y C 0.220 175.629 175.900 -0.819 0.000 1.008 215 Y CA -0.683 56.782 58.100 -1.058 0.000 1.241 215 Y CB 0.750 38.498 38.460 -1.187 0.000 1.153 215 Y HN 0.605 nan 8.280 nan 0.000 0.521 216 A N 8.616 130.703 122.820 -1.221 0.000 3.399 216 A HA 0.344 4.665 4.320 0.001 0.000 0.262 216 A C -3.093 173.682 177.584 -1.348 0.000 1.145 216 A CA -1.051 50.142 52.037 -1.406 0.000 0.916 216 A CB -0.103 18.259 19.000 -1.063 0.000 1.360 216 A HN 0.509 nan 8.150 nan 0.000 0.628 217 P HA 0.213 nan 4.420 nan 0.000 0.275 217 P C 0.271 177.223 177.300 -0.580 0.000 1.228 217 P CA -0.117 62.522 63.100 -0.768 0.000 0.786 217 P CB 1.172 32.593 31.700 -0.464 0.000 0.927 218 K N 1.434 121.596 120.400 -0.397 0.000 2.365 218 K HA -0.061 4.260 4.320 0.001 0.000 0.199 218 K C 0.779 177.335 176.600 -0.074 0.000 1.045 218 K CA 1.078 57.248 56.287 -0.194 0.000 0.962 218 K CB -0.380 32.014 32.500 -0.177 0.000 0.759 218 K HN 0.577 nan 8.250 nan 0.000 0.469 219 D N 0.074 120.437 120.400 -0.062 0.000 2.358 219 D HA -0.031 4.610 4.640 0.001 0.000 0.224 219 D C -0.452 175.882 176.300 0.055 0.000 1.123 219 D CA -0.157 53.850 54.000 0.012 0.000 0.833 219 D CB -0.022 40.804 40.800 0.043 0.000 0.946 219 D HN -0.188 nan 8.370 nan 0.000 0.505 220 D N 1.241 121.673 120.400 0.054 0.000 2.464 220 D HA 0.172 4.813 4.640 0.001 0.000 0.243 220 D C -1.614 174.769 176.300 0.139 0.000 1.104 220 D CA -2.223 51.877 54.000 0.166 0.000 0.883 220 D CB 2.046 42.989 40.800 0.239 0.000 1.050 220 D HN -0.128 nan 8.370 nan 0.000 0.524 221 P HA -0.153 nan 4.420 nan 0.000 0.219 221 P C 0.841 177.984 177.300 -0.261 0.000 1.146 221 P CA 0.843 63.810 63.100 -0.222 0.000 0.808 221 P CB -0.004 31.446 31.700 -0.417 0.000 0.779 222 Y N -0.555 119.752 120.300 0.012 0.000 2.619 222 Y HA -0.078 4.473 4.550 0.001 0.000 0.308 222 Y C 2.652 178.685 175.900 0.222 0.000 1.192 222 Y CA 0.588 58.641 58.100 -0.079 0.000 1.319 222 Y CB -0.936 37.142 38.460 -0.637 0.000 1.030 222 Y HN 0.283 nan 8.280 nan 0.000 0.517 223 H N -1.201 117.980 119.070 0.184 0.000 2.729 223 H HA 0.293 4.849 4.556 0.001 0.000 0.263 223 H C 1.643 176.950 175.328 -0.036 0.000 0.961 223 H CA 0.442 56.521 56.048 0.051 0.000 1.217 223 H CB 0.360 29.948 29.762 -0.291 0.000 1.447 223 H HN 0.317 nan 8.280 nan 0.000 0.496 224 R N 0.392 120.597 120.500 -0.492 0.000 4.480 224 R HA 0.017 4.358 4.340 0.001 0.000 0.131 224 R C 1.937 178.190 176.300 -0.078 0.000 1.015 224 R CA 0.499 56.343 56.100 -0.426 0.000 0.941 224 R CB 0.343 30.245 30.300 -0.663 0.000 1.426 224 R HN 0.123 nan 8.270 nan 0.000 0.435 225 E N 1.577 121.704 120.200 -0.122 0.000 2.204 225 E HA -0.160 4.191 4.350 0.001 0.000 0.195 225 E C 0.175 176.703 176.600 -0.121 0.000 0.990 225 E CA 1.236 57.585 56.400 -0.085 0.000 0.821 225 E CB 0.041 29.679 29.700 -0.103 0.000 0.750 225 E HN 0.281 nan 8.360 nan 0.000 0.477 226 K N 1.055 121.343 120.400 -0.186 0.000 3.045 226 K HA 0.119 4.440 4.320 0.001 0.000 0.211 226 K C 1.016 177.517 176.600 -0.164 0.000 1.141 226 K CA -0.369 55.760 56.287 -0.264 0.000 1.036 226 K CB 0.035 32.261 32.500 -0.458 0.000 0.851 226 K HN 0.229 nan 8.250 nan 0.000 0.462 227 W N 0.630 121.848 121.300 -0.138 0.000 2.350 227 W HA -0.165 4.496 4.660 0.001 0.000 0.289 227 W C 0.849 177.336 176.519 -0.052 0.000 1.215 227 W CA 0.539 57.838 57.345 -0.077 0.000 1.236 227 W CB -0.441 28.942 29.460 -0.128 0.000 1.130 227 W HN 0.087 nan 8.180 nan 0.000 0.541 228 R N 1.436 121.317 120.500 -1.031 0.000 2.115 228 R HA -0.069 4.272 4.340 0.001 0.000 0.226 228 R C 0.932 176.951 176.300 -0.468 0.000 1.100 228 R CA 1.409 56.856 56.100 -1.088 0.000 0.980 228 R CB -0.148 29.282 30.300 -1.451 0.000 0.875 228 R HN 0.348 nan 8.270 nan 0.000 0.445 229 E N 1.628 121.651 120.200 -0.296 0.000 2.216 229 E HA 0.294 4.645 4.350 0.001 0.000 0.279 229 E C -2.622 173.948 176.600 -0.050 0.000 0.997 229 E CA -2.754 53.571 56.400 -0.126 0.000 0.817 229 E CB 1.298 30.955 29.700 -0.071 0.000 1.096 229 E HN -0.124 nan 8.360 nan 0.000 0.393 230 P HA -0.008 nan 4.420 nan 0.000 0.272 230 P C -0.955 176.158 177.300 -0.312 0.000 1.240 230 P CA -0.136 62.896 63.100 -0.113 0.000 0.791 230 P CB 0.179 31.858 31.700 -0.036 0.000 0.978 231 Y N 1.465 121.571 120.300 -0.324 0.000 2.632 231 Y HA 0.063 4.614 4.550 0.001 0.000 0.329 231 Y C -1.056 174.638 175.900 -0.343 0.000 1.174 231 Y CA -0.809 56.977 58.100 -0.523 0.000 1.469 231 Y CB -0.789 37.478 38.460 -0.322 0.000 1.242 231 Y HN 0.339 nan 8.280 nan 0.000 0.540 232 P HA 0.029 nan 4.420 nan 0.000 0.273 232 P C -0.076 177.206 177.300 -0.030 0.000 1.250 232 P CA -0.155 62.895 63.100 -0.083 0.000 0.793 232 P CB 1.025 32.698 31.700 -0.045 0.000 1.011 233 E N 0.070 120.261 120.200 -0.015 0.000 2.268 233 E HA -0.132 4.219 4.350 0.001 0.000 0.195 233 E C 1.930 178.524 176.600 -0.009 0.000 0.995 233 E CA 1.418 57.810 56.400 -0.013 0.000 0.836 233 E CB -0.450 29.244 29.700 -0.010 0.000 0.763 233 E HN 0.494 nan 8.360 nan 0.000 0.491 234 S N -0.240 115.463 115.700 0.004 0.000 2.474 234 S HA -0.102 4.369 4.470 0.001 0.000 0.235 234 S C 1.655 176.266 174.600 0.017 0.000 0.997 234 S CA 0.939 59.148 58.200 0.014 0.000 0.949 234 S CB 0.088 63.307 63.200 0.032 0.000 0.766 234 S HN 0.055 nan 8.310 nan 0.000 0.517 235 E N -0.506 119.707 120.200 0.023 0.000 2.526 235 E HA 0.428 4.778 4.350 0.001 0.000 0.208 235 E C 1.353 177.919 176.600 -0.057 0.000 0.997 235 E CA -0.078 56.344 56.400 0.037 0.000 0.961 235 E CB -0.081 29.721 29.700 0.171 0.000 1.030 235 E HN 0.380 nan 8.360 nan 0.000 0.483 236 M N 0.376 119.937 119.600 -0.066 0.000 2.086 236 M HA -0.133 4.348 4.480 0.001 0.000 0.261 236 M C 2.081 178.303 176.300 -0.130 0.000 1.067 236 M CA 1.707 56.940 55.300 -0.112 0.000 1.116 236 M CB -0.184 32.374 32.600 -0.070 0.000 1.348 236 M HN 0.131 nan 8.290 nan 0.000 0.407 237 Q N -0.470 119.274 119.800 -0.093 0.000 2.084 237 Q HA -0.246 4.094 4.340 0.001 0.000 0.202 237 Q C 2.289 178.226 176.000 -0.106 0.000 0.978 237 Q CA 1.761 57.513 55.803 -0.084 0.000 0.844 237 Q CB -0.227 28.477 28.738 -0.055 0.000 0.898 237 Q HN 0.496 nan 8.270 nan 0.000 0.426 238 R N -0.412 119.997 120.500 -0.152 0.000 2.094 238 R HA -0.168 4.172 4.340 0.001 0.000 0.239 238 R C 2.295 178.503 176.300 -0.154 0.000 1.137 238 R CA 1.911 57.861 56.100 -0.249 0.000 0.943 238 R CB -0.132 29.980 30.300 -0.312 0.000 0.850 238 R HN 0.295 nan 8.270 nan 0.000 0.433 239 M N 0.322 119.784 119.600 -0.230 0.000 2.159 239 M HA -0.154 4.326 4.480 0.001 0.000 0.263 239 M C 2.173 178.265 176.300 -0.346 0.000 1.063 239 M CA 1.489 56.577 55.300 -0.352 0.000 1.110 239 M CB -0.827 31.428 32.600 -0.575 0.000 1.374 239 M HN 0.160 nan 8.290 nan 0.000 0.411 240 Q N 0.800 120.453 119.800 -0.245 0.000 2.084 240 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 240 Q C 1.771 177.675 176.000 -0.160 0.000 0.978 240 Q CA 1.732 57.413 55.803 -0.203 0.000 0.844 240 Q CB -0.164 28.491 28.738 -0.138 0.000 0.898 240 Q HN 0.528 nan 8.270 nan 0.000 0.426 241 E N -0.513 119.639 120.200 -0.080 0.000 2.118 241 E HA -0.186 4.165 4.350 0.001 0.000 0.195 241 E C 1.945 178.521 176.600 -0.040 0.000 0.992 241 E CA 1.201 57.597 56.400 -0.006 0.000 0.804 241 E CB -0.126 29.662 29.700 0.147 0.000 0.741 241 E HN 0.352 nan 8.360 nan 0.000 0.458 242 L N 0.350 121.531 121.223 -0.071 0.000 2.044 242 L HA -0.157 4.183 4.340 0.001 0.000 0.205 242 L C 2.440 179.108 176.870 -0.336 0.000 1.075 242 L CA 0.823 55.584 54.840 -0.132 0.000 0.747 242 L CB -0.340 41.651 42.059 -0.113 0.000 0.903 242 L HN 0.144 nan 8.230 nan 0.000 0.435 243 I N 0.196 120.412 120.570 -0.589 0.000 2.208 243 I HA -0.303 3.868 4.170 0.001 0.000 0.245 243 I C 2.213 178.186 176.117 -0.239 0.000 1.097 243 I CA 1.224 62.187 61.300 -0.563 0.000 1.363 243 I CB -0.420 37.261 38.000 -0.532 0.000 1.051 243 I HN 0.347 nan 8.210 nan 0.000 0.413 244 N N 1.110 119.703 118.700 -0.178 0.000 2.106 244 N HA -0.097 4.644 4.740 0.001 0.000 0.188 244 N C 1.941 177.410 175.510 -0.068 0.000 1.029 244 N CA 1.576 54.564 53.050 -0.104 0.000 0.848 244 N CB -0.570 37.867 38.487 -0.084 0.000 1.007 244 N HN 0.342 nan 8.380 nan 0.000 0.423 245 A N 0.708 123.493 122.820 -0.058 0.000 1.883 245 A HA -0.148 4.173 4.320 0.001 0.000 0.217 245 A C 2.508 180.091 177.584 -0.001 0.000 1.186 245 A CA 2.012 54.032 52.037 -0.028 0.000 0.624 245 A CB -0.878 18.102 19.000 -0.034 0.000 0.822 245 A HN 0.278 nan 8.150 nan 0.000 0.444 246 S N -0.347 115.372 115.700 0.031 0.000 2.356 246 S HA -0.050 4.421 4.470 0.001 0.000 0.223 246 S C 2.345 176.961 174.600 0.028 0.000 1.032 246 S CA 1.295 59.559 58.200 0.106 0.000 1.005 246 S CB -0.528 62.819 63.200 0.244 0.000 0.867 246 S HN 0.825 nan 8.310 nan 0.000 0.449 247 A N 1.520 124.329 122.820 -0.018 0.000 1.902 247 A HA -0.144 4.176 4.320 0.001 0.000 0.217 247 A C 1.937 179.455 177.584 -0.110 0.000 1.181 247 A CA 1.511 53.514 52.037 -0.058 0.000 0.623 247 A CB -0.612 18.350 19.000 -0.062 0.000 0.818 247 A HN 0.564 nan 8.150 nan 0.000 0.443 248 E N -0.051 120.099 120.200 -0.084 0.000 2.160 248 E HA -0.141 4.209 4.350 0.001 0.000 0.195 248 E C 0.719 177.213 176.600 -0.175 0.000 0.991 248 E CA 1.064 57.414 56.400 -0.083 0.000 0.810 248 E CB -0.113 29.576 29.700 -0.018 0.000 0.742 248 E HN 0.544 nan 8.360 nan 0.000 0.466 249 N N 0.174 118.754 118.700 -0.199 0.000 2.214 249 N HA 0.016 4.756 4.740 0.001 0.000 0.214 249 N C -0.543 174.616 175.510 -0.584 0.000 1.132 249 N CA 0.102 52.980 53.050 -0.286 0.000 0.856 249 N CB 0.801 39.321 38.487 0.055 0.000 1.020 249 N HN -0.049 nan 8.380 nan 0.000 0.509 250 K N -0.316 119.740 120.400 -0.574 0.000 3.088 250 K HA -0.125 4.195 4.320 0.001 0.000 0.273 250 K C -0.516 176.039 176.600 -0.075 0.000 1.111 250 K CA 0.297 56.346 56.287 -0.397 0.000 0.803 250 K CB -2.384 29.717 32.500 -0.665 0.000 1.226 250 K HN 0.029 nan 8.250 nan 0.000 0.485 251 V N 2.200 122.125 119.914 0.018 0.000 2.383 251 V HA 0.104 4.225 4.120 0.001 0.000 0.275 251 V C 0.491 176.687 176.094 0.171 0.000 1.036 251 V CA -0.685 61.711 62.300 0.161 0.000 0.889 251 V CB 1.481 33.462 31.823 0.264 0.000 0.985 251 V HN 0.074 nan 8.190 nan 0.000 0.459 252 D N 4.620 125.120 120.400 0.167 0.000 2.342 252 D HA 0.065 4.706 4.640 0.001 0.000 0.260 252 D C -0.170 176.264 176.300 0.223 0.000 1.278 252 D CA 0.099 54.199 54.000 0.168 0.000 0.910 252 D CB 0.550 41.431 40.800 0.136 0.000 1.079 252 D HN 0.430 nan 8.370 nan 0.000 0.496 253 F N 3.680 123.683 119.950 0.087 0.000 2.490 253 F HA 0.093 4.621 4.527 0.001 0.000 0.357 253 F C -0.244 175.553 175.800 -0.005 0.000 1.166 253 F CA -0.533 57.508 58.000 0.067 0.000 1.116 253 F CB 0.309 39.332 39.000 0.039 0.000 1.171 253 F HN -0.000 nan 8.300 nan 0.000 0.576 254 V N 8.278 127.981 119.914 -0.351 0.000 2.406 254 V HA 0.074 4.194 4.120 0.001 0.000 0.272 254 V C -0.155 175.662 176.094 -0.462 0.000 1.043 254 V CA -0.610 61.527 62.300 -0.272 0.000 0.915 254 V CB 0.603 32.377 31.823 -0.083 0.000 0.988 254 V HN 0.604 nan 8.190 nan 0.000 0.466 255 F N 4.346 124.068 119.950 -0.381 0.000 2.413 255 F HA 0.642 5.169 4.527 0.001 0.000 0.359 255 F C 0.941 176.736 175.800 -0.008 0.000 1.122 255 F CA -0.354 57.544 58.000 -0.169 0.000 1.160 255 F CB 0.623 39.660 39.000 0.063 0.000 1.146 255 F HN 0.560 nan 8.300 nan 0.000 0.514 256 G N 7.792 116.297 108.800 -0.492 0.000 2.333 256 G HA2 0.496 4.456 3.960 0.001 0.000 0.290 256 G HA3 0.496 4.456 3.960 0.001 0.000 0.290 256 G C -0.825 173.803 174.900 -0.453 0.000 1.150 256 G CA -0.561 44.325 45.100 -0.357 0.000 0.895 256 G HN 0.692 nan 8.290 nan 0.000 0.444 257 I N 1.133 121.584 120.570 -0.199 0.000 2.404 257 I HA 0.299 4.470 4.170 0.001 0.000 0.293 257 I C 0.071 175.934 176.117 -0.424 0.000 0.992 257 I CA -0.590 60.607 61.300 -0.172 0.000 1.149 257 I CB 2.307 40.317 38.000 0.016 0.000 1.315 257 I HN 0.249 nan 8.210 nan 0.000 0.446 258 S N 7.097 122.477 115.700 -0.534 0.000 2.457 258 S HA 0.268 4.739 4.470 0.001 0.000 0.216 258 S C -1.755 172.465 174.600 -0.633 0.000 1.392 258 S CA -1.015 56.850 58.200 -0.559 0.000 1.102 258 S CB 0.506 63.382 63.200 -0.541 0.000 1.114 258 S HN 0.544 nan 8.310 nan 0.000 0.484 259 P HA 0.019 nan 4.420 nan 0.000 0.229 259 P C 1.559 178.410 177.300 -0.750 0.000 1.160 259 P CA 0.494 62.685 63.100 -1.514 0.000 0.777 259 P CB -0.114 30.569 31.700 -1.696 0.000 0.814 260 G N 0.903 109.479 108.800 -0.373 0.000 2.527 260 G HA2 -0.252 3.709 3.960 0.001 0.000 0.219 260 G HA3 -0.252 3.709 3.960 0.001 0.000 0.219 260 G C 1.447 176.334 174.900 -0.021 0.000 1.117 260 G CA 0.109 45.172 45.100 -0.062 0.000 0.759 260 G HN 0.325 nan 8.290 nan 0.000 0.556 261 I N 0.747 121.277 120.570 -0.067 0.000 2.194 261 I HA -0.203 3.968 4.170 0.001 0.000 0.246 261 I C 1.383 177.539 176.117 0.064 0.000 1.093 261 I CA 2.368 63.673 61.300 0.009 0.000 1.355 261 I CB 0.222 38.231 38.000 0.016 0.000 1.046 261 I HN 0.359 nan 8.210 nan 0.000 0.413 262 D N -1.132 119.332 120.400 0.106 0.000 2.619 262 D HA 0.085 4.726 4.640 0.001 0.000 0.300 262 D C 0.352 176.743 176.300 0.153 0.000 1.502 262 D CA -0.405 53.673 54.000 0.130 0.000 0.865 262 D CB -1.181 39.698 40.800 0.132 0.000 1.343 262 D HN 0.285 nan 8.370 nan 0.000 0.447 263 I N 1.454 122.085 120.570 0.102 0.000 2.775 263 I HA 0.094 4.265 4.170 0.001 0.000 0.290 263 I C -0.282 175.726 176.117 -0.182 0.000 1.203 263 I CA 0.128 61.430 61.300 0.004 0.000 1.433 263 I CB 0.300 38.131 38.000 -0.282 0.000 1.354 263 I HN -0.103 nan 8.210 nan 0.000 0.579 264 R N 6.635 127.061 120.500 -0.123 0.000 2.393 264 R HA 0.336 4.677 4.340 0.001 0.000 0.310 264 R C -0.428 175.762 176.300 -0.184 0.000 0.968 264 R CA -0.400 55.645 56.100 -0.091 0.000 0.867 264 R CB 1.172 31.506 30.300 0.058 0.000 1.124 264 R HN 0.584 nan 8.270 nan 0.000 0.450 265 F N -0.520 119.520 119.950 0.151 0.000 2.559 265 F HA 0.152 4.680 4.527 0.001 0.000 0.286 265 F C 0.432 176.287 175.800 0.091 0.000 1.108 265 F CA -0.049 58.027 58.000 0.127 0.000 1.436 265 F CB 0.582 39.632 39.000 0.084 0.000 1.130 265 F HN 0.306 nan 8.300 nan 0.000 0.584 266 D N 0.597 121.149 120.400 0.253 0.000 2.359 266 D HA 0.451 5.091 4.640 0.001 0.000 0.230 266 D C 0.810 177.180 176.300 0.117 0.000 1.118 266 D CA 0.899 54.999 54.000 0.167 0.000 0.844 266 D CB 0.918 41.804 40.800 0.144 0.000 1.059 266 D HN 0.345 nan 8.370 nan 0.000 0.493 267 G N 4.244 113.101 108.800 0.096 0.000 2.603 267 G HA2 -0.289 3.671 3.960 0.001 0.000 0.245 267 G HA3 -0.289 3.671 3.960 0.001 0.000 0.245 267 G C 0.600 175.541 174.900 0.068 0.000 1.195 267 G CA 0.349 45.490 45.100 0.069 0.000 0.953 267 G HN 0.509 nan 8.290 nan 0.000 0.566 268 D N 0.911 121.347 120.400 0.060 0.000 2.367 268 D HA 0.525 5.166 4.640 0.001 0.000 0.207 268 D C 2.201 178.543 176.300 0.070 0.000 1.034 268 D CA 1.727 55.763 54.000 0.060 0.000 0.861 268 D CB -0.464 40.363 40.800 0.046 0.000 0.943 268 D HN 1.121 nan 8.370 nan 0.000 0.515 269 A N 0.567 123.434 122.820 0.078 0.000 2.178 269 A HA 0.202 4.523 4.320 0.001 0.000 0.218 269 A C 2.164 179.820 177.584 0.119 0.000 1.157 269 A CA 1.331 53.423 52.037 0.092 0.000 0.689 269 A CB -0.932 18.120 19.000 0.087 0.000 0.787 269 A HN 0.375 nan 8.150 nan 0.000 0.465 270 G N -0.906 107.970 108.800 0.125 0.000 2.545 270 G HA2 0.021 3.981 3.960 0.001 0.000 0.212 270 G HA3 0.021 3.981 3.960 0.001 0.000 0.212 270 G C 1.360 176.377 174.900 0.194 0.000 1.144 270 G CA 0.856 46.054 45.100 0.162 0.000 0.813 270 G HN 0.523 nan 8.290 nan 0.000 0.531 271 E N 0.720 121.008 120.200 0.146 0.000 2.216 271 E HA -0.001 4.350 4.350 0.001 0.000 0.192 271 E C 2.095 178.785 176.600 0.151 0.000 0.988 271 E CA 0.881 57.373 56.400 0.154 0.000 0.834 271 E CB -0.107 29.648 29.700 0.093 0.000 0.772 271 E HN 0.544 nan 8.360 nan 0.000 0.479 272 E N 0.085 120.343 120.200 0.097 0.000 2.017 272 E HA -0.213 4.137 4.350 0.001 0.000 0.193 272 E C 1.197 177.823 176.600 0.043 0.000 0.997 272 E CA 1.550 57.959 56.400 0.015 0.000 0.804 272 E CB -0.086 29.634 29.700 0.032 0.000 0.757 272 E HN 0.230 nan 8.360 nan 0.000 0.448 273 D N -0.440 120.092 120.400 0.219 0.000 2.218 273 D HA -0.134 4.507 4.640 0.001 0.000 0.204 273 D C 1.517 178.076 176.300 0.432 0.000 0.976 273 D CA 0.515 54.743 54.000 0.381 0.000 0.853 273 D CB -0.215 40.808 40.800 0.372 0.000 0.939 273 D HN 0.194 nan 8.370 nan 0.000 0.481 274 F N 1.187 121.273 119.950 0.227 0.000 2.206 274 F HA -0.005 4.523 4.527 0.001 0.000 0.298 274 F C 1.768 177.687 175.800 0.198 0.000 1.090 274 F CA 1.095 59.236 58.000 0.235 0.000 1.323 274 F CB -0.171 38.945 39.000 0.193 0.000 1.028 274 F HN -0.110 nan 8.300 nan 0.000 0.492 275 N N -1.256 117.496 118.700 0.087 0.000 2.216 275 N HA -0.183 4.558 4.740 0.001 0.000 0.183 275 N C 1.641 177.095 175.510 -0.094 0.000 1.017 275 N CA 0.705 53.721 53.050 -0.056 0.000 0.861 275 N CB -0.216 38.254 38.487 -0.028 0.000 0.986 275 N HN 0.254 nan 8.380 nan 0.000 0.428 276 H N 0.824 119.882 119.070 -0.019 0.000 2.353 276 H HA -0.111 4.446 4.556 0.001 0.000 0.298 276 H C 2.139 177.454 175.328 -0.022 0.000 1.103 276 H CA 0.906 56.908 56.048 -0.077 0.000 1.293 276 H CB -0.395 29.248 29.762 -0.199 0.000 1.372 276 H HN 0.176 nan 8.280 nan 0.000 0.501 277 L N 0.656 122.014 121.223 0.225 0.000 2.083 277 L HA -0.116 4.225 4.340 0.001 0.000 0.209 277 L C 2.356 179.232 176.870 0.009 0.000 1.083 277 L CA 1.194 56.163 54.840 0.214 0.000 0.752 277 L CB -0.545 41.594 42.059 0.134 0.000 0.899 277 L HN 0.145 nan 8.230 nan 0.000 0.433 278 I N -1.593 118.860 120.570 -0.196 0.000 2.286 278 I HA -0.263 3.908 4.170 0.001 0.000 0.245 278 I C 2.182 178.225 176.117 -0.122 0.000 1.104 278 I CA 1.413 62.557 61.300 -0.259 0.000 1.397 278 I CB -0.578 37.267 38.000 -0.258 0.000 1.072 278 I HN 0.226 nan 8.210 nan 0.000 0.417 279 T N 0.507 115.032 114.554 -0.047 0.000 2.684 279 T HA -0.235 4.116 4.350 0.001 0.000 0.267 279 T C 1.916 176.627 174.700 0.018 0.000 1.036 279 T CA 1.632 63.734 62.100 0.003 0.000 1.148 279 T CB -0.183 68.705 68.868 0.033 0.000 0.863 279 T HN 0.102 nan 8.240 nan 0.000 0.436 280 K N 1.983 122.397 120.400 0.024 0.000 1.991 280 K HA 0.040 4.360 4.320 0.001 0.000 0.212 280 K C 2.310 178.930 176.600 0.033 0.000 1.049 280 K CA 1.778 58.089 56.287 0.040 0.000 0.932 280 K CB -1.041 31.516 32.500 0.095 0.000 0.717 280 K HN 0.239 nan 8.250 nan 0.000 0.441 281 A N 0.639 123.412 122.820 -0.077 0.000 1.978 281 A HA -0.205 4.116 4.320 0.001 0.000 0.220 281 A C 2.053 179.686 177.584 0.081 0.000 1.170 281 A CA 2.011 53.875 52.037 -0.288 0.000 0.636 281 A CB -0.545 17.683 19.000 -1.286 0.000 0.810 281 A HN 0.564 nan 8.150 nan 0.000 0.448 282 E N -0.145 120.137 120.200 0.137 0.000 2.072 282 E HA -0.128 4.223 4.350 0.001 0.000 0.190 282 E C 2.389 179.144 176.600 0.258 0.000 0.982 282 E CA 1.245 57.818 56.400 0.287 0.000 0.803 282 E CB -0.129 29.664 29.700 0.154 0.000 0.755 282 E HN 0.808 nan 8.360 nan 0.000 0.453 283 S N 0.593 116.390 115.700 0.162 0.000 2.423 283 S HA -0.088 4.383 4.470 0.001 0.000 0.231 283 S C 1.986 176.675 174.600 0.149 0.000 1.014 283 S CA 0.643 58.921 58.200 0.129 0.000 0.965 283 S CB -0.272 62.973 63.200 0.075 0.000 0.785 283 S HN 0.148 nan 8.310 nan 0.000 0.495 284 L N -0.828 120.517 121.223 0.203 0.000 2.209 284 L HA 0.133 4.474 4.340 0.001 0.000 0.207 284 L C 2.519 179.581 176.870 0.320 0.000 1.094 284 L CA 1.104 56.065 54.840 0.203 0.000 0.790 284 L CB -0.606 41.578 42.059 0.207 0.000 0.932 284 L HN 0.285 nan 8.230 nan 0.000 0.447 285 Y N 1.373 121.907 120.300 0.389 0.000 2.165 285 Y HA -0.306 4.245 4.550 0.001 0.000 0.286 285 Y C 2.187 178.190 175.900 0.171 0.000 1.155 285 Y CA 1.798 60.118 58.100 0.367 0.000 1.164 285 Y CB -0.069 38.617 38.460 0.376 0.000 0.978 285 Y HN 0.237 nan 8.280 nan 0.000 0.513 286 D N -0.253 120.304 120.400 0.262 0.000 2.264 286 D HA -0.151 4.490 4.640 0.001 0.000 0.208 286 D C 1.878 178.184 176.300 0.009 0.000 0.966 286 D CA 1.397 55.473 54.000 0.127 0.000 0.864 286 D CB -0.241 40.639 40.800 0.134 0.000 0.933 286 D HN 0.496 nan 8.370 nan 0.000 0.499 287 M N -1.076 118.519 119.600 -0.008 0.000 2.506 287 M HA 0.135 4.616 4.480 0.001 0.000 0.260 287 M C 1.244 177.469 176.300 -0.125 0.000 1.104 287 M CA 0.884 56.138 55.300 -0.077 0.000 1.112 287 M CB 0.667 33.203 32.600 -0.107 0.000 1.401 287 M HN 0.124 nan 8.290 nan 0.000 0.473 288 G N 0.087 108.803 108.800 -0.140 0.000 2.183 288 G HA2 -0.144 3.817 3.960 0.001 0.000 0.168 288 G HA3 -0.144 3.817 3.960 0.001 0.000 0.168 288 G C -0.078 174.733 174.900 -0.148 0.000 1.008 288 G CA -0.598 44.394 45.100 -0.182 0.000 0.677 288 G HN 0.209 nan 8.290 nan 0.000 0.498 289 V N 1.837 121.705 119.914 -0.077 0.000 2.521 289 V HA 0.425 4.545 4.120 0.001 0.000 0.286 289 V C 1.282 177.375 176.094 -0.002 0.000 1.034 289 V CA 0.046 62.331 62.300 -0.027 0.000 1.045 289 V CB 1.315 33.122 31.823 -0.027 0.000 0.974 289 V HN 0.289 nan 8.190 nan 0.000 0.480 290 R N 2.036 122.531 120.500 -0.008 0.000 2.509 290 R HA 0.340 4.681 4.340 0.001 0.000 0.297 290 R C -0.068 176.349 176.300 0.194 0.000 0.951 290 R CA -0.011 56.184 56.100 0.160 0.000 1.103 290 R CB 1.086 31.448 30.300 0.104 0.000 1.283 290 R HN 0.605 nan 8.270 nan 0.000 0.534 291 S N 0.376 116.013 115.700 -0.105 0.000 2.547 291 S HA 0.713 5.183 4.470 0.001 0.000 0.281 291 S C -1.284 173.132 174.600 -0.307 0.000 1.118 291 S CA -0.427 57.782 58.200 0.016 0.000 0.947 291 S CB 1.593 64.846 63.200 0.088 0.000 1.053 291 S HN 0.026 nan 8.310 nan 0.000 0.482 292 F N 1.039 121.177 119.950 0.314 0.000 2.591 292 F HA 0.755 5.283 4.527 0.001 0.000 0.309 292 F C 0.030 175.936 175.800 0.177 0.000 1.098 292 F CA -0.776 57.395 58.000 0.285 0.000 0.937 292 F CB 1.810 41.024 39.000 0.357 0.000 1.250 292 F HN 0.638 nan 8.300 nan 0.000 0.447 293 A N 3.412 126.401 122.820 0.282 0.000 2.356 293 A HA 0.894 5.215 4.320 0.001 0.000 0.310 293 A C -1.198 176.462 177.584 0.126 0.000 1.075 293 A CA -0.568 51.578 52.037 0.182 0.000 0.746 293 A CB 0.912 20.041 19.000 0.215 0.000 1.221 293 A HN 0.727 nan 8.150 nan 0.000 0.443 294 I N 2.506 123.066 120.570 -0.016 0.000 2.389 294 I HA 0.330 4.501 4.170 0.001 0.000 0.288 294 I C -1.271 174.637 176.117 -0.348 0.000 0.999 294 I CA -0.497 60.648 61.300 -0.259 0.000 1.129 294 I CB 1.371 39.074 38.000 -0.495 0.000 1.288 294 I HN 0.574 nan 8.210 nan 0.000 0.444 295 Y N 4.575 124.471 120.300 -0.674 0.000 2.323 295 Y HA 0.223 4.774 4.550 0.001 0.000 0.331 295 Y C -0.088 175.395 175.900 -0.695 0.000 1.092 295 Y CA -1.055 56.722 58.100 -0.538 0.000 1.150 295 Y CB 1.087 39.343 38.460 -0.340 0.000 1.200 295 Y HN 0.572 nan 8.280 nan 0.000 0.472 296 W N 1.254 122.516 121.300 -0.064 0.000 2.599 296 W HA 0.124 4.784 4.660 0.001 0.000 0.396 296 W C 0.968 177.412 176.519 -0.124 0.000 0.944 296 W CA -0.395 56.847 57.345 -0.171 0.000 2.042 296 W CB 0.576 29.898 29.460 -0.230 0.000 1.184 296 W HN 0.565 nan 8.180 nan 0.000 0.604 297 D N 0.469 120.896 120.400 0.046 0.000 2.123 297 D HA -0.127 4.513 4.640 0.001 0.000 0.200 297 D C 0.373 176.711 176.300 0.063 0.000 0.976 297 D CA 1.236 55.244 54.000 0.013 0.000 0.831 297 D CB -0.496 40.149 40.800 -0.258 0.000 0.974 297 D HN 0.168 nan 8.370 nan 0.000 0.469 298 D N -0.106 120.320 120.400 0.044 0.000 2.477 298 D HA 0.280 4.921 4.640 0.001 0.000 0.239 298 D C 0.461 176.795 176.300 0.055 0.000 1.102 298 D CA -0.760 53.268 54.000 0.047 0.000 0.901 298 D CB 0.916 41.737 40.800 0.036 0.000 1.026 298 D HN 0.361 nan 8.370 nan 0.000 0.515 299 I N 0.063 120.687 120.570 0.090 0.000 5.061 299 I HA -0.083 4.087 4.170 0.001 0.000 0.336 299 I C -0.117 176.083 176.117 0.138 0.000 1.247 299 I CA -0.027 61.355 61.300 0.138 0.000 1.418 299 I CB 0.192 38.333 38.000 0.236 0.000 1.467 299 I HN 0.110 nan 8.210 nan 0.000 0.510 300 Q N 1.419 121.280 119.800 0.102 0.000 2.439 300 Q HA -0.229 4.111 4.340 0.001 0.000 0.247 300 Q C -1.007 175.057 176.000 0.107 0.000 0.899 300 Q CA 1.301 57.149 55.803 0.075 0.000 1.201 300 Q CB -1.781 26.991 28.738 0.056 0.000 1.608 300 Q HN 0.559 nan 8.270 nan 0.000 0.563 301 D N -0.288 120.220 120.400 0.181 0.000 2.668 301 D HA 0.211 4.852 4.640 0.001 0.000 0.247 301 D C 0.444 176.885 176.300 0.236 0.000 1.268 301 D CA -0.175 53.957 54.000 0.220 0.000 0.842 301 D CB 0.603 41.582 40.800 0.297 0.000 1.399 301 D HN 0.168 nan 8.370 nan 0.000 0.530 302 K N -0.475 119.953 120.400 0.047 0.000 2.483 302 K HA 0.195 4.515 4.320 0.001 0.000 0.206 302 K C -0.105 176.472 176.600 -0.038 0.000 1.086 302 K CA -0.235 56.103 56.287 0.085 0.000 1.052 302 K CB 0.752 33.278 32.500 0.043 0.000 0.904 302 K HN 0.002 nan 8.250 nan 0.000 0.557 303 S N 0.602 116.069 115.700 -0.387 0.000 2.430 303 S HA 0.379 4.850 4.470 0.001 0.000 0.282 303 S C 1.225 175.328 174.600 -0.828 0.000 1.186 303 S CA 0.120 58.027 58.200 -0.487 0.000 1.060 303 S CB 0.668 63.580 63.200 -0.479 0.000 0.966 303 S HN 0.430 nan 8.310 nan 0.000 0.501 304 A N 5.612 128.046 122.820 -0.644 0.000 1.917 304 A HA -0.055 4.265 4.320 0.001 0.000 0.219 304 A C 2.369 179.625 177.584 -0.546 0.000 1.182 304 A CA 2.007 53.544 52.037 -0.834 0.000 0.633 304 A CB -1.219 17.226 19.000 -0.924 0.000 0.819 304 A HN 1.119 nan 8.150 nan 0.000 0.448 305 A N -0.645 121.901 122.820 -0.456 0.000 1.969 305 A HA -0.126 4.195 4.320 0.001 0.000 0.218 305 A C 2.116 179.478 177.584 -0.371 0.000 1.169 305 A CA 1.744 53.566 52.037 -0.357 0.000 0.635 305 A CB -0.340 18.498 19.000 -0.270 0.000 0.810 305 A HN 0.568 nan 8.150 nan 0.000 0.445 306 K N -1.156 118.934 120.400 -0.518 0.000 2.062 306 K HA -0.069 4.252 4.320 0.001 0.000 0.205 306 K C 1.854 178.151 176.600 -0.505 0.000 1.051 306 K CA 1.383 57.320 56.287 -0.584 0.000 0.941 306 K CB -0.322 31.566 32.500 -1.019 0.000 0.719 306 K HN 0.751 nan 8.250 nan 0.000 0.440 307 H N 0.037 118.664 119.070 -0.739 0.000 2.321 307 H HA -0.075 4.482 4.556 0.001 0.000 0.300 307 H C 2.127 177.204 175.328 -0.418 0.000 1.087 307 H CA 0.802 56.261 56.048 -0.982 0.000 1.319 307 H CB 0.035 29.098 29.762 -1.164 0.000 1.379 307 H HN 0.243 nan 8.280 nan 0.000 0.501 308 A N 0.978 123.626 122.820 -0.286 0.000 2.015 308 A HA -0.213 4.108 4.320 0.001 0.000 0.219 308 A C 2.281 179.784 177.584 -0.136 0.000 1.163 308 A CA 1.573 53.403 52.037 -0.345 0.000 0.646 308 A CB -0.339 18.296 19.000 -0.608 0.000 0.806 308 A HN 0.373 nan 8.150 nan 0.000 0.448 309 Q N 0.295 120.028 119.800 -0.112 0.000 2.016 309 Q HA -0.105 4.236 4.340 0.001 0.000 0.200 309 Q C 1.751 177.787 176.000 0.061 0.000 0.978 309 Q CA 2.493 58.267 55.803 -0.048 0.000 0.833 309 Q CB -0.888 27.805 28.738 -0.075 0.000 0.895 309 Q HN 0.265 nan 8.270 nan 0.000 0.427 310 V N 0.976 121.005 119.914 0.192 0.000 2.282 310 V HA -0.300 3.821 4.120 0.001 0.000 0.249 310 V C 2.481 178.872 176.094 0.495 0.000 1.057 310 V CA 2.043 64.600 62.300 0.427 0.000 1.032 310 V CB -0.725 31.494 31.823 0.661 0.000 0.645 310 V HN 0.413 nan 8.190 nan 0.000 0.447 311 L N 0.034 121.506 121.223 0.415 0.000 2.012 311 L HA -0.192 4.149 4.340 0.001 0.000 0.210 311 L C 2.502 179.562 176.870 0.317 0.000 1.073 311 L CA 1.703 56.765 54.840 0.370 0.000 0.748 311 L CB -0.792 41.458 42.059 0.318 0.000 0.891 311 L HN 0.391 nan 8.230 nan 0.000 0.431 312 N N -0.116 118.697 118.700 0.189 0.000 2.142 312 N HA -0.180 4.560 4.740 0.001 0.000 0.186 312 N C 1.913 177.528 175.510 0.176 0.000 1.023 312 N CA 1.133 54.266 53.050 0.138 0.000 0.852 312 N CB -0.270 38.240 38.487 0.038 0.000 0.998 312 N HN 0.275 nan 8.380 nan 0.000 0.424 313 R N -0.327 120.274 120.500 0.170 0.000 2.073 313 R HA -0.014 4.327 4.340 0.001 0.000 0.229 313 R C 2.099 178.666 176.300 0.446 0.000 1.120 313 R CA 0.631 56.812 56.100 0.134 0.000 0.967 313 R CB -0.372 29.772 30.300 -0.261 0.000 0.862 313 R HN 0.140 nan 8.270 nan 0.000 0.436 314 F N 1.855 122.131 119.950 0.542 0.000 2.126 314 F HA -0.272 4.255 4.527 0.001 0.000 0.299 314 F C 2.027 178.009 175.800 0.303 0.000 1.096 314 F CA 2.085 60.352 58.000 0.444 0.000 1.255 314 F CB -0.340 38.847 39.000 0.312 0.000 0.997 314 F HN 0.117 nan 8.300 nan 0.000 0.479 315 N N 0.283 119.262 118.700 0.465 0.000 2.084 315 N HA -0.197 4.544 4.740 0.001 0.000 0.190 315 N C 1.835 177.448 175.510 0.172 0.000 1.030 315 N CA 1.743 54.982 53.050 0.314 0.000 0.849 315 N CB -0.255 38.395 38.487 0.271 0.000 1.012 315 N HN 0.277 nan 8.380 nan 0.000 0.423 316 E N 0.508 120.797 120.200 0.149 0.000 2.028 316 E HA -0.105 4.245 4.350 0.001 0.000 0.190 316 E C 1.790 178.423 176.600 0.056 0.000 0.984 316 E CA 0.969 57.421 56.400 0.087 0.000 0.800 316 E CB -0.217 29.527 29.700 0.074 0.000 0.758 316 E HN 0.557 nan 8.360 nan 0.000 0.448 317 E N -0.838 119.417 120.200 0.090 0.000 2.158 317 E HA -0.083 4.268 4.350 0.001 0.000 0.191 317 E C 1.575 178.159 176.600 -0.026 0.000 0.982 317 E CA 0.468 56.905 56.400 0.061 0.000 0.823 317 E CB 0.071 29.873 29.700 0.170 0.000 0.766 317 E HN 0.081 nan 8.360 nan 0.000 0.468 318 F N -0.056 119.707 119.950 -0.312 0.000 2.394 318 F HA -0.010 4.517 4.527 0.001 0.000 0.269 318 F C 2.084 177.711 175.800 -0.288 0.000 1.012 318 F CA 0.707 58.415 58.000 -0.486 0.000 1.138 318 F CB -0.547 37.785 39.000 -1.113 0.000 1.140 318 F HN -0.148 nan 8.300 nan 0.000 0.623 319 V N 0.408 120.281 119.914 -0.069 0.000 2.453 319 V HA -0.157 3.964 4.120 0.001 0.000 0.247 319 V C 1.985 178.061 176.094 -0.030 0.000 1.048 319 V CA 2.108 64.411 62.300 0.004 0.000 1.049 319 V CB -0.593 31.392 31.823 0.271 0.000 0.672 319 V HN 0.410 nan 8.190 nan 0.000 0.457 320 K N 0.531 120.926 120.400 -0.009 0.000 2.167 320 K HA 0.221 4.541 4.320 0.001 0.000 0.203 320 K C 2.400 178.961 176.600 -0.064 0.000 1.052 320 K CA 1.184 57.466 56.287 -0.008 0.000 0.956 320 K CB -0.394 32.121 32.500 0.025 0.000 0.735 320 K HN 0.591 nan 8.250 nan 0.000 0.451 321 A N 1.830 124.578 122.820 -0.121 0.000 1.902 321 A HA -0.158 4.163 4.320 0.001 0.000 0.217 321 A C 1.828 179.282 177.584 -0.217 0.000 1.181 321 A CA 1.407 53.351 52.037 -0.155 0.000 0.623 321 A CB -0.154 18.742 19.000 -0.173 0.000 0.818 321 A HN 0.031 nan 8.150 nan 0.000 0.443 322 K N -1.537 118.655 120.400 -0.347 0.000 2.148 322 K HA -0.019 4.302 4.320 0.001 0.000 0.204 322 K C 1.667 178.186 176.600 -0.135 0.000 1.050 322 K CA 1.016 57.077 56.287 -0.377 0.000 0.942 322 K CB -0.729 31.379 32.500 -0.653 0.000 0.724 322 K HN 0.806 nan 8.250 nan 0.000 0.446 323 G N 1.326 110.081 108.800 -0.074 0.000 2.302 323 G HA2 -0.332 3.628 3.960 0.001 0.000 0.263 323 G HA3 -0.332 3.628 3.960 0.001 0.000 0.263 323 G C 0.891 175.823 174.900 0.053 0.000 0.995 323 G CA 0.972 46.072 45.100 0.000 0.000 0.622 323 G HN 0.392 nan 8.290 nan 0.000 0.538 324 D N -0.250 120.204 120.400 0.090 0.000 2.389 324 D HA 0.279 4.919 4.640 0.001 0.000 0.206 324 D C 1.033 177.455 176.300 0.203 0.000 1.055 324 D CA 0.334 54.431 54.000 0.162 0.000 0.856 324 D CB 0.409 41.377 40.800 0.280 0.000 0.957 324 D HN 0.273 nan 8.370 nan 0.000 0.509 325 V N 2.506 122.544 119.914 0.208 0.000 2.439 325 V HA 0.184 4.304 4.120 0.001 0.000 0.282 325 V C 0.631 176.885 176.094 0.267 0.000 1.039 325 V CA -0.864 61.619 62.300 0.305 0.000 0.913 325 V CB 1.721 33.752 31.823 0.347 0.000 0.983 325 V HN -0.087 nan 8.190 nan 0.000 0.460 326 K N 4.269 124.844 120.400 0.291 0.000 2.230 326 K HA 0.259 4.580 4.320 0.001 0.000 0.253 326 K C -2.347 174.427 176.600 0.290 0.000 1.008 326 K CA -1.445 54.996 56.287 0.258 0.000 0.910 326 K CB -0.012 32.637 32.500 0.248 0.000 0.994 326 K HN 0.375 nan 8.250 nan 0.000 0.495 327 P HA -0.058 nan 4.420 nan 0.000 0.264 327 P C -0.241 177.223 177.300 0.273 0.000 1.183 327 P CA -0.261 62.984 63.100 0.242 0.000 0.763 327 P CB 0.271 32.095 31.700 0.206 0.000 0.807 328 L N 4.765 126.161 121.223 0.288 0.000 2.485 328 L HA 0.147 4.487 4.340 0.001 0.000 0.275 328 L C -0.305 176.676 176.870 0.186 0.000 1.207 328 L CA 0.574 55.594 54.840 0.300 0.000 0.855 328 L CB -0.221 42.038 42.059 0.333 0.000 1.114 328 L HN 0.241 nan 8.230 nan 0.000 0.485 329 I N 3.517 124.174 120.570 0.145 0.000 2.603 329 I HA 0.511 4.681 4.170 0.001 0.000 0.300 329 I C 0.038 176.171 176.117 0.026 0.000 1.017 329 I CA -0.285 61.027 61.300 0.019 0.000 1.098 329 I CB 2.043 40.006 38.000 -0.061 0.000 1.279 329 I HN 0.585 nan 8.210 nan 0.000 0.437 330 T N 4.176 118.730 114.554 0.001 0.000 2.900 330 T HA 0.630 4.981 4.350 0.001 0.000 0.303 330 T C -1.505 173.142 174.700 -0.088 0.000 1.142 330 T CA -0.446 61.664 62.100 0.017 0.000 1.007 330 T CB 1.544 70.594 68.868 0.305 0.000 1.156 330 T HN 0.211 nan 8.240 nan 0.000 0.490 331 V N 6.334 126.115 119.914 -0.222 0.000 2.350 331 V HA 0.485 4.605 4.120 0.001 0.000 0.285 331 V C -2.148 173.896 176.094 -0.083 0.000 1.014 331 V CA -1.814 60.317 62.300 -0.282 0.000 0.831 331 V CB 1.209 32.627 31.823 -0.675 0.000 1.000 331 V HN 0.716 nan 8.190 nan 0.000 0.433 332 P HA 0.213 nan 4.420 nan 0.000 0.274 332 P C 0.925 178.218 177.300 -0.011 0.000 1.246 332 P CA -0.127 62.888 63.100 -0.141 0.000 0.795 332 P CB 0.747 32.183 31.700 -0.441 0.000 1.006 333 T N -0.814 113.643 114.554 -0.162 0.000 2.759 333 T HA -0.133 4.218 4.350 0.001 0.000 0.269 333 T C 0.395 174.899 174.700 -0.327 0.000 1.042 333 T CA 1.511 63.448 62.100 -0.272 0.000 1.140 333 T CB -0.412 68.135 68.868 -0.535 0.000 0.864 333 T HN 0.520 nan 8.240 nan 0.000 0.455 334 E N 1.072 120.987 120.200 -0.475 0.000 2.081 334 E HA 0.279 4.630 4.350 0.001 0.000 0.276 334 E C -0.512 176.017 176.600 -0.118 0.000 0.950 334 E CA -0.425 55.780 56.400 -0.325 0.000 0.776 334 E CB 0.611 30.182 29.700 -0.216 0.000 1.094 334 E HN 0.666 nan 8.360 nan 0.000 0.402 335 Y N 0.778 121.020 120.300 -0.095 0.000 2.672 335 Y HA 0.251 4.802 4.550 0.001 0.000 0.252 335 Y C -0.305 175.633 175.900 0.063 0.000 1.132 335 Y CA -0.893 57.185 58.100 -0.037 0.000 1.228 335 Y CB 0.408 38.759 38.460 -0.181 0.000 1.310 335 Y HN 0.235 nan 8.280 nan 0.000 0.549 336 D N -0.511 119.842 120.400 -0.078 0.000 2.575 336 D HA 0.176 4.817 4.640 0.001 0.000 0.236 336 D C 0.001 176.380 176.300 0.131 0.000 1.075 336 D CA -0.461 53.588 54.000 0.081 0.000 0.860 336 D CB 2.442 43.197 40.800 -0.074 0.000 1.475 336 D HN -0.018 nan 8.370 nan 0.000 0.474 337 T N 1.555 116.270 114.554 0.268 0.000 2.699 337 T HA -0.119 4.232 4.350 0.001 0.000 0.268 337 T C 1.915 176.660 174.700 0.075 0.000 1.036 337 T CA 1.828 64.047 62.100 0.199 0.000 1.147 337 T CB -0.616 68.398 68.868 0.243 0.000 0.862 337 T HN 0.730 nan 8.240 nan 0.000 0.446 338 G N 0.964 109.788 108.800 0.039 0.000 2.475 338 G HA2 -0.084 3.876 3.960 0.001 0.000 0.220 338 G HA3 -0.084 3.876 3.960 0.001 0.000 0.220 338 G C 1.646 176.517 174.900 -0.048 0.000 1.125 338 G CA 0.918 46.014 45.100 -0.008 0.000 0.755 338 G HN 0.636 nan 8.290 nan 0.000 0.565 339 A N -0.421 122.346 122.820 -0.088 0.000 2.132 339 A HA 0.450 4.771 4.320 0.001 0.000 0.213 339 A C 2.253 179.784 177.584 -0.088 0.000 1.154 339 A CA 0.886 52.839 52.037 -0.139 0.000 0.753 339 A CB -0.031 18.802 19.000 -0.278 0.000 0.826 339 A HN 0.380 nan 8.150 nan 0.000 0.469 340 M N -0.618 118.967 119.600 -0.025 0.000 2.534 340 M HA 0.140 4.620 4.480 0.001 0.000 0.263 340 M C 0.385 176.696 176.300 0.019 0.000 1.152 340 M CA 0.495 55.809 55.300 0.024 0.000 1.145 340 M CB 0.793 33.441 32.600 0.080 0.000 1.333 340 M HN 0.262 nan 8.290 nan 0.000 0.477 341 V N -2.897 117.023 119.914 0.009 0.000 2.914 341 V HA 0.843 4.964 4.120 0.001 0.000 0.314 341 V C -0.923 175.167 176.094 -0.006 0.000 1.084 341 V CA -0.626 61.675 62.300 0.002 0.000 0.963 341 V CB 2.006 33.832 31.823 0.005 0.000 1.025 341 V HN 0.016 nan 8.190 nan 0.000 0.432 342 S N 3.288 118.982 115.700 -0.010 0.000 2.652 342 S HA 0.527 4.998 4.470 0.001 0.000 0.273 342 S C -0.396 174.197 174.600 -0.012 0.000 1.172 342 S CA -0.082 58.111 58.200 -0.012 0.000 1.009 342 S CB 0.371 63.560 63.200 -0.017 0.000 1.094 342 S HN 1.477 nan 8.310 nan 0.000 0.471 343 N N 2.786 121.480 118.700 -0.010 0.000 2.815 343 N HA -0.153 4.587 4.740 0.001 0.000 0.249 343 N C 0.728 176.231 175.510 -0.011 0.000 1.114 343 N CA 1.654 54.698 53.050 -0.010 0.000 0.717 343 N CB -1.631 36.848 38.487 -0.012 0.000 1.074 343 N HN 1.774 nan 8.380 nan 0.000 0.555 344 G N -1.669 107.125 108.800 -0.010 0.000 2.159 344 G HA2 -0.321 3.640 3.960 0.001 0.000 0.256 344 G HA3 -0.321 3.640 3.960 0.001 0.000 0.256 344 G C -0.133 174.756 174.900 -0.018 0.000 0.977 344 G CA 0.829 45.921 45.100 -0.012 0.000 0.652 344 G HN 0.502 nan 8.290 nan 0.000 0.531 345 Q N -0.143 119.645 119.800 -0.020 0.000 2.445 345 Q HA 0.546 4.887 4.340 0.001 0.000 0.281 345 Q C -2.738 173.247 176.000 -0.026 0.000 1.101 345 Q CA -1.942 53.845 55.803 -0.027 0.000 0.833 345 Q CB 2.098 30.819 28.738 -0.029 0.000 1.416 345 Q HN 0.231 nan 8.270 nan 0.000 0.451 346 P HA 0.148 nan 4.420 nan 0.000 0.271 346 P C -0.447 176.841 177.300 -0.020 0.000 1.218 346 P CA -0.004 63.079 63.100 -0.029 0.000 0.780 346 P CB 0.835 32.501 31.700 -0.057 0.000 0.901 347 R N 1.125 121.623 120.500 -0.002 0.000 2.637 347 R HA 0.331 4.672 4.340 0.001 0.000 0.269 347 R C 1.808 178.118 176.300 0.016 0.000 1.089 347 R CA -0.233 55.870 56.100 0.004 0.000 1.177 347 R CB -0.096 30.208 30.300 0.007 0.000 1.091 347 R HN 0.457 nan 8.270 nan 0.000 0.540 348 A N 1.483 124.310 122.820 0.012 0.000 1.870 348 A HA -0.309 4.012 4.320 0.001 0.000 0.219 348 A C 2.039 179.634 177.584 0.019 0.000 1.224 348 A CA 2.083 54.121 52.037 0.002 0.000 0.650 348 A CB -1.127 17.871 19.000 -0.002 0.000 0.836 348 A HN 0.900 nan 8.150 nan 0.000 0.454 349 Y N 0.753 121.021 120.300 -0.053 0.000 2.081 349 Y HA -0.259 4.292 4.550 0.001 0.000 0.280 349 Y C 2.801 178.705 175.900 0.007 0.000 1.163 349 Y CA 2.707 60.784 58.100 -0.039 0.000 1.135 349 Y CB -0.663 37.766 38.460 -0.050 0.000 0.970 349 Y HN 0.333 nan 8.280 nan 0.000 0.498 350 T N 0.978 115.674 114.554 0.236 0.000 2.746 350 T HA -0.196 4.155 4.350 0.001 0.000 0.267 350 T C 1.975 176.634 174.700 -0.068 0.000 1.039 350 T CA 1.492 63.677 62.100 0.142 0.000 1.142 350 T CB -0.314 68.631 68.868 0.128 0.000 0.866 350 T HN 0.317 nan 8.240 nan 0.000 0.444 351 R N 0.586 121.038 120.500 -0.080 0.000 2.073 351 R HA -0.037 4.303 4.340 0.001 0.000 0.234 351 R C 2.396 178.606 176.300 -0.151 0.000 1.134 351 R CA 1.398 57.420 56.100 -0.130 0.000 0.952 351 R CB -0.471 29.773 30.300 -0.093 0.000 0.850 351 R HN 0.409 nan 8.270 nan 0.000 0.433 352 I N -0.097 120.383 120.570 -0.150 0.000 2.202 352 I HA -0.270 3.901 4.170 0.001 0.000 0.242 352 I C 2.277 178.269 176.117 -0.208 0.000 1.091 352 I CA 1.137 62.325 61.300 -0.187 0.000 1.368 352 I CB -0.393 37.477 38.000 -0.216 0.000 1.058 352 I HN 0.136 nan 8.210 nan 0.000 0.410 353 F N 1.718 121.431 119.950 -0.395 0.000 2.102 353 F HA -0.264 4.263 4.527 0.001 0.000 0.298 353 F C 2.558 178.253 175.800 -0.175 0.000 1.105 353 F CA 1.717 59.527 58.000 -0.316 0.000 1.239 353 F CB -0.212 38.583 39.000 -0.343 0.000 0.991 353 F HN 0.000 nan 8.300 nan 0.000 0.474 354 A N -0.464 122.283 122.820 -0.122 0.000 1.933 354 A HA -0.251 4.070 4.320 0.001 0.000 0.218 354 A C 2.195 179.653 177.584 -0.209 0.000 1.175 354 A CA 1.836 53.634 52.037 -0.397 0.000 0.628 354 A CB -0.947 17.510 19.000 -0.904 0.000 0.814 354 A HN 0.574 nan 8.150 nan 0.000 0.444 355 E N -0.818 119.267 120.200 -0.192 0.000 2.152 355 E HA -0.129 4.222 4.350 0.001 0.000 0.192 355 E C 1.636 178.152 176.600 -0.139 0.000 0.983 355 E CA 1.550 57.862 56.400 -0.145 0.000 0.818 355 E CB 0.024 29.642 29.700 -0.137 0.000 0.758 355 E HN 0.602 nan 8.360 nan 0.000 0.467 356 T N 0.702 115.141 114.554 -0.191 0.000 3.010 356 T HA 0.038 4.388 4.350 0.001 0.000 0.252 356 T C 0.774 175.349 174.700 -0.207 0.000 1.047 356 T CA 0.526 62.503 62.100 -0.205 0.000 1.140 356 T CB 0.080 68.791 68.868 -0.261 0.000 0.885 356 T HN 0.117 nan 8.240 nan 0.000 0.464 357 V N 1.962 121.714 119.914 -0.270 0.000 2.655 357 V HA 0.256 4.377 4.120 0.001 0.000 0.300 357 V C -0.023 176.042 176.094 -0.050 0.000 1.044 357 V CA -1.470 60.708 62.300 -0.204 0.000 1.095 357 V CB -0.005 31.684 31.823 -0.223 0.000 0.952 357 V HN 0.219 nan 8.190 nan 0.000 0.485 358 D N 5.097 125.493 120.400 -0.007 0.000 2.488 358 D HA 0.145 4.785 4.640 0.001 0.000 0.238 358 D C -1.519 174.820 176.300 0.065 0.000 1.138 358 D CA -0.788 53.233 54.000 0.035 0.000 0.873 358 D CB 1.244 42.081 40.800 0.062 0.000 1.183 358 D HN 0.469 nan 8.370 nan 0.000 0.458 359 P HA -0.163 nan 4.420 nan 0.000 0.222 359 P C 0.773 178.129 177.300 0.093 0.000 1.142 359 P CA 0.992 64.140 63.100 0.080 0.000 0.788 359 P CB 0.064 31.801 31.700 0.062 0.000 0.767 360 S N -2.106 113.651 115.700 0.095 0.000 2.528 360 S HA 0.069 4.539 4.470 0.001 0.000 0.219 360 S C 0.784 175.459 174.600 0.126 0.000 0.985 360 S CA -0.113 58.153 58.200 0.109 0.000 0.914 360 S CB -0.829 62.436 63.200 0.108 0.000 0.776 360 S HN 0.016 nan 8.310 nan 0.000 0.526 361 I N 2.282 122.928 120.570 0.127 0.000 2.474 361 I HA 0.283 4.454 4.170 0.001 0.000 0.287 361 I C 0.313 176.495 176.117 0.107 0.000 1.048 361 I CA -0.401 60.981 61.300 0.137 0.000 1.383 361 I CB 0.865 38.958 38.000 0.154 0.000 1.412 361 I HN 0.108 nan 8.210 nan 0.000 0.531 362 E N 5.393 125.634 120.200 0.068 0.000 2.194 362 E HA 0.317 4.668 4.350 0.001 0.000 0.284 362 E C -1.255 175.313 176.600 -0.053 0.000 1.035 362 E CA -0.287 56.097 56.400 -0.027 0.000 0.836 362 E CB 0.950 30.558 29.700 -0.153 0.000 1.070 362 E HN 0.293 nan 8.360 nan 0.000 0.401 363 V N 6.139 126.012 119.914 -0.069 0.000 2.417 363 V HA 0.350 4.471 4.120 0.001 0.000 0.291 363 V C 0.146 176.189 176.094 -0.084 0.000 1.024 363 V CA -0.651 61.587 62.300 -0.103 0.000 0.861 363 V CB 1.345 32.985 31.823 -0.305 0.000 0.985 363 V HN 0.747 nan 8.190 nan 0.000 0.436 364 M N 4.898 124.475 119.600 -0.038 0.000 2.277 364 M HA 0.535 5.016 4.480 0.001 0.000 0.350 364 M C -0.627 175.819 176.300 0.242 0.000 1.180 364 M CA -0.141 55.220 55.300 0.101 0.000 1.103 364 M CB 1.467 34.095 32.600 0.047 0.000 1.577 364 M HN 0.920 nan 8.290 nan 0.000 0.459 365 W N 1.498 122.819 121.300 0.035 0.000 3.075 365 W HA 0.523 5.184 4.660 0.001 0.000 0.334 365 W C -0.093 176.535 176.519 0.180 0.000 1.243 365 W CA -0.714 56.680 57.345 0.082 0.000 1.170 365 W CB 0.914 30.411 29.460 0.061 0.000 1.452 365 W HN 0.696 nan 8.180 nan 0.000 0.572 366 T N 0.294 114.696 114.554 -0.254 0.000 3.086 366 T HA 0.503 4.854 4.350 0.001 0.000 0.250 366 T C 0.824 175.304 174.700 -0.366 0.000 1.074 366 T CA 0.630 62.599 62.100 -0.218 0.000 0.988 366 T CB -0.412 68.432 68.868 -0.040 0.000 0.988 366 T HN 1.939 nan 8.240 nan 0.000 0.530 367 G N 2.051 110.219 108.800 -1.053 0.000 2.500 367 G HA2 -0.078 3.883 3.960 0.001 0.000 0.209 367 G HA3 -0.078 3.883 3.960 0.001 0.000 0.209 367 G C -2.459 172.472 174.900 0.053 0.000 1.283 367 G CA -0.393 44.437 45.100 -0.450 0.000 0.960 367 G HN 0.079 nan 8.290 nan 0.000 0.528 368 P HA 0.197 nan 4.420 nan 0.000 0.225 368 P C 1.048 178.416 177.300 0.114 0.000 1.148 368 P CA 2.346 65.557 63.100 0.185 0.000 0.779 368 P CB -0.007 31.785 31.700 0.154 0.000 0.780 369 G N -2.678 106.169 108.800 0.078 0.000 2.687 369 G HA2 0.324 4.285 3.960 0.001 0.000 0.291 369 G HA3 0.324 4.285 3.960 0.001 0.000 0.291 369 G C 0.462 175.376 174.900 0.025 0.000 1.420 369 G CA -0.447 44.679 45.100 0.043 0.000 0.796 369 G HN -0.227 nan 8.290 nan 0.000 0.485 370 V N -0.680 119.258 119.914 0.040 0.000 2.270 370 V HA 0.022 4.143 4.120 0.001 0.000 0.245 370 V C 0.912 177.017 176.094 0.018 0.000 1.043 370 V CA 1.231 63.574 62.300 0.072 0.000 1.014 370 V CB -0.312 31.586 31.823 0.126 0.000 0.645 370 V HN 0.376 nan 8.190 nan 0.000 0.447 371 V N 0.008 119.918 119.914 -0.007 0.000 2.443 371 V HA 0.605 4.725 4.120 0.001 0.000 0.293 371 V C -0.386 175.601 176.094 -0.177 0.000 1.021 371 V CA -0.103 62.062 62.300 -0.225 0.000 0.848 371 V CB 1.375 32.894 31.823 -0.507 0.000 0.998 371 V HN 0.412 nan 8.190 nan 0.000 0.424 372 T N 2.583 117.032 114.554 -0.176 0.000 2.900 372 T HA 0.326 4.676 4.350 0.001 0.000 0.303 372 T C 0.777 175.513 174.700 0.060 0.000 1.142 372 T CA -0.533 61.552 62.100 -0.025 0.000 1.007 372 T CB 1.746 70.652 68.868 0.064 0.000 1.156 372 T HN 0.536 nan 8.240 nan 0.000 0.490 373 N N 1.637 120.391 118.700 0.090 0.000 2.104 373 N HA 0.000 4.741 4.740 0.001 0.000 0.190 373 N C 0.197 175.858 175.510 0.251 0.000 1.024 373 N CA 1.315 54.449 53.050 0.139 0.000 0.853 373 N CB 0.095 38.633 38.487 0.084 0.000 1.008 373 N HN 0.679 nan 8.380 nan 0.000 0.424 374 E N -0.813 119.536 120.200 0.248 0.000 2.383 374 E HA 0.459 4.810 4.350 0.001 0.000 0.275 374 E C -0.832 175.861 176.600 0.155 0.000 0.918 374 E CA -0.511 55.981 56.400 0.154 0.000 0.764 374 E CB 2.513 32.248 29.700 0.057 0.000 1.252 374 E HN -0.072 nan 8.360 nan 0.000 0.449 375 I N 3.194 123.750 120.570 -0.024 0.000 2.428 375 I HA 0.280 4.450 4.170 0.001 0.000 0.279 375 I C -2.387 173.756 176.117 0.043 0.000 1.040 375 I CA -2.099 59.217 61.300 0.027 0.000 1.171 375 I CB 0.885 38.855 38.000 -0.050 0.000 1.312 375 I HN 0.103 nan 8.210 nan 0.000 0.470 376 P HA 0.096 nan 4.420 nan 0.000 0.274 376 P C 0.732 178.107 177.300 0.125 0.000 1.237 376 P CA -0.549 62.600 63.100 0.082 0.000 0.793 376 P CB 1.256 33.000 31.700 0.074 0.000 0.977 377 L N 2.382 123.680 121.223 0.125 0.000 2.043 377 L HA -0.245 4.096 4.340 0.001 0.000 0.212 377 L C 2.316 179.255 176.870 0.114 0.000 1.075 377 L CA 2.670 57.613 54.840 0.172 0.000 0.752 377 L CB -1.533 40.635 42.059 0.182 0.000 0.891 377 L HN 0.487 nan 8.230 nan 0.000 0.432 378 S N -1.635 114.110 115.700 0.076 0.000 2.383 378 S HA -0.276 4.195 4.470 0.001 0.000 0.229 378 S C 1.853 176.459 174.600 0.011 0.000 1.030 378 S CA 1.483 59.699 58.200 0.025 0.000 1.002 378 S CB -0.898 62.323 63.200 0.035 0.000 0.829 378 S HN 0.640 nan 8.310 nan 0.000 0.467 379 D N 1.821 122.275 120.400 0.090 0.000 2.117 379 D HA 0.092 4.733 4.640 0.001 0.000 0.198 379 D C 2.092 178.480 176.300 0.146 0.000 0.982 379 D CA 1.257 55.350 54.000 0.155 0.000 0.828 379 D CB -0.528 40.437 40.800 0.274 0.000 0.967 379 D HN 0.490 nan 8.370 nan 0.000 0.464 380 A N 0.206 123.143 122.820 0.195 0.000 1.902 380 A HA -0.228 4.093 4.320 0.001 0.000 0.217 380 A C 2.177 179.564 177.584 -0.329 0.000 1.181 380 A CA 1.739 53.843 52.037 0.111 0.000 0.623 380 A CB -0.881 18.337 19.000 0.364 0.000 0.818 380 A HN 0.395 nan 8.150 nan 0.000 0.443 381 Q N -0.862 118.575 119.800 -0.606 0.000 2.096 381 Q HA -0.217 4.124 4.340 0.001 0.000 0.204 381 Q C 2.019 177.728 176.000 -0.486 0.000 0.982 381 Q CA 1.881 57.057 55.803 -1.044 0.000 0.850 381 Q CB -0.250 28.061 28.738 -0.712 0.000 0.901 381 Q HN 0.561 nan 8.270 nan 0.000 0.422 382 L N 0.499 121.560 121.223 -0.271 0.000 1.994 382 L HA -0.193 4.148 4.340 0.001 0.000 0.208 382 L C 2.141 178.907 176.870 -0.174 0.000 1.071 382 L CA 1.508 56.249 54.840 -0.164 0.000 0.745 382 L CB -0.466 41.543 42.059 -0.083 0.000 0.892 382 L HN 0.287 nan 8.230 nan 0.000 0.431 383 I N -1.040 119.378 120.570 -0.254 0.000 2.202 383 I HA -0.219 3.951 4.170 0.001 0.000 0.242 383 I C 2.723 178.713 176.117 -0.211 0.000 1.091 383 I CA 1.622 62.729 61.300 -0.322 0.000 1.368 383 I CB -1.631 35.879 38.000 -0.817 0.000 1.058 383 I HN 0.383 nan 8.210 nan 0.000 0.410 384 S N 1.127 116.669 115.700 -0.263 0.000 2.374 384 S HA -0.165 4.306 4.470 0.001 0.000 0.227 384 S C 2.186 176.778 174.600 -0.013 0.000 1.037 384 S CA 1.812 59.959 58.200 -0.088 0.000 1.024 384 S CB -0.686 62.508 63.200 -0.011 0.000 0.861 384 S HN 0.540 nan 8.310 nan 0.000 0.456 385 G N 1.135 109.886 108.800 -0.081 0.000 2.418 385 G HA2 -0.126 3.834 3.960 0.001 0.000 0.217 385 G HA3 -0.126 3.834 3.960 0.001 0.000 0.217 385 G C 1.417 176.296 174.900 -0.035 0.000 1.158 385 G CA 0.966 46.039 45.100 -0.045 0.000 0.771 385 G HN 0.587 nan 8.290 nan 0.000 0.545 386 I N -1.169 119.371 120.570 -0.050 0.000 2.315 386 I HA -0.097 4.074 4.170 0.001 0.000 0.248 386 I C 2.037 178.056 176.117 -0.163 0.000 1.117 386 I CA 0.896 62.133 61.300 -0.105 0.000 1.404 386 I CB -0.045 37.885 38.000 -0.117 0.000 1.071 386 I HN 0.140 nan 8.210 nan 0.000 0.419 387 Y N -0.021 120.251 120.300 -0.046 0.000 2.466 387 Y HA 0.100 4.651 4.550 0.001 0.000 0.272 387 Y C 0.885 176.787 175.900 0.004 0.000 1.169 387 Y CA -0.224 57.872 58.100 -0.007 0.000 1.285 387 Y CB -0.149 38.308 38.460 -0.004 0.000 1.078 387 Y HN 0.178 nan 8.280 nan 0.000 0.523 388 N N 1.904 120.664 118.700 0.101 0.000 2.686 388 N HA -0.263 4.477 4.740 0.001 0.000 0.261 388 N C -0.597 174.977 175.510 0.106 0.000 1.001 388 N CA 1.131 54.228 53.050 0.079 0.000 0.764 388 N CB -0.593 37.919 38.487 0.042 0.000 0.898 388 N HN 0.649 nan 8.380 nan 0.000 0.544 389 R N -1.571 119.005 120.500 0.126 0.000 2.765 389 R HA 0.346 4.686 4.340 0.001 0.000 0.277 389 R C -1.422 174.954 176.300 0.126 0.000 1.028 389 R CA -1.028 55.145 56.100 0.122 0.000 0.860 389 R CB 0.240 30.618 30.300 0.130 0.000 1.270 389 R HN -0.049 nan 8.270 nan 0.000 0.484 390 N N 1.498 120.274 118.700 0.127 0.000 2.497 390 N HA 0.135 4.876 4.740 0.001 0.000 0.268 390 N C -0.234 175.357 175.510 0.135 0.000 1.171 390 N CA 0.142 53.280 53.050 0.146 0.000 0.948 390 N CB 0.525 39.097 38.487 0.142 0.000 1.069 390 N HN 0.394 nan 8.380 nan 0.000 0.460 391 M N 1.063 120.750 119.600 0.144 0.000 2.283 391 M HA 0.400 4.880 4.480 0.001 0.000 0.314 391 M C 0.376 176.849 176.300 0.288 0.000 1.153 391 M CA -0.965 54.413 55.300 0.130 0.000 1.084 391 M CB 0.685 33.271 32.600 -0.024 0.000 1.468 391 M HN 0.441 nan 8.290 nan 0.000 0.474 392 A N 1.564 124.545 122.820 0.268 0.000 2.305 392 A HA 0.636 4.957 4.320 0.001 0.000 0.322 392 A C -0.585 177.277 177.584 0.462 0.000 1.187 392 A CA -0.739 51.488 52.037 0.317 0.000 0.825 392 A CB 0.912 19.838 19.000 -0.124 0.000 1.164 392 A HN 0.745 nan 8.150 nan 0.000 0.498 393 V N 3.131 123.310 119.914 0.442 0.000 2.483 393 V HA 0.690 4.810 4.120 0.001 0.000 0.295 393 V C -0.925 175.271 176.094 0.170 0.000 1.035 393 V CA -0.802 61.644 62.300 0.242 0.000 0.896 393 V CB 1.358 33.231 31.823 0.083 0.000 0.986 393 V HN 0.930 nan 8.190 nan 0.000 0.447 394 W N 8.600 129.871 121.300 -0.047 0.000 2.282 394 W HA 0.388 5.049 4.660 0.001 0.000 0.322 394 W C -1.123 175.397 176.519 0.001 0.000 1.011 394 W CA -1.843 55.467 57.345 -0.058 0.000 1.392 394 W CB 1.284 30.686 29.460 -0.096 0.000 1.215 394 W HN 0.887 nan 8.180 nan 0.000 0.394 395 W N 8.842 130.131 121.300 -0.020 0.000 2.291 395 W HA 0.203 4.864 4.660 0.001 0.000 0.312 395 W C -0.179 176.442 176.519 0.169 0.000 1.061 395 W CA -0.523 56.842 57.345 0.032 0.000 1.296 395 W CB 0.862 30.260 29.460 -0.103 0.000 1.223 395 W HN 0.272 nan 8.180 nan 0.000 0.421 396 N N 6.236 124.797 118.700 -0.232 0.000 3.210 396 N HA -0.031 4.710 4.740 0.001 0.000 0.314 396 N C -1.497 173.870 175.510 -0.239 0.000 1.291 396 N CA 0.501 53.488 53.050 -0.106 0.000 1.202 396 N CB -0.357 38.149 38.487 0.031 0.000 1.475 396 N HN 0.422 nan 8.380 nan 0.000 0.554 397 Y N 0.290 120.368 120.300 -0.370 0.000 2.436 397 Y HA 0.265 4.816 4.550 0.001 0.000 0.327 397 Y C -2.307 173.657 175.900 0.108 0.000 1.138 397 Y CA -1.493 56.539 58.100 -0.112 0.000 1.042 397 Y CB 2.427 40.811 38.460 -0.127 0.000 1.302 397 Y HN 0.032 nan 8.280 nan 0.000 0.439 398 P HA 0.013 nan 4.420 nan 0.000 0.257 398 P C 0.144 177.285 177.300 -0.264 0.000 1.325 398 P CA 0.318 63.122 63.100 -0.493 0.000 0.850 398 P CB 0.360 31.902 31.700 -0.263 0.000 1.324 399 V N 2.395 122.277 119.914 -0.053 0.000 2.752 399 V HA -0.047 4.074 4.120 0.001 0.000 0.306 399 V C 1.174 177.237 176.094 -0.052 0.000 1.099 399 V CA 1.896 64.211 62.300 0.025 0.000 1.240 399 V CB 0.158 32.101 31.823 0.200 0.000 0.887 399 V HN 0.393 nan 8.190 nan 0.000 0.499 400 T N 0.635 115.106 114.554 -0.139 0.000 3.288 400 T HA 0.193 4.544 4.350 0.001 0.000 0.293 400 T C 0.736 175.243 174.700 -0.322 0.000 1.008 400 T CA 0.253 62.135 62.100 -0.362 0.000 0.929 400 T CB -0.093 68.649 68.868 -0.210 0.000 1.152 400 T HN 0.829 nan 8.240 nan 0.000 0.517 401 D N 1.712 122.074 120.400 -0.065 0.000 2.263 401 D HA -0.189 4.452 4.640 0.001 0.000 0.208 401 D C 1.466 177.832 176.300 0.110 0.000 0.971 401 D CA 0.911 54.974 54.000 0.104 0.000 0.867 401 D CB -0.774 40.219 40.800 0.322 0.000 0.929 401 D HN 0.760 nan 8.370 nan 0.000 0.492 402 Y N -2.657 117.738 120.300 0.158 0.000 2.490 402 Y HA 0.389 4.939 4.550 0.001 0.000 0.281 402 Y C 0.044 176.062 175.900 0.196 0.000 1.174 402 Y CA -1.020 57.168 58.100 0.146 0.000 1.295 402 Y CB -0.093 38.394 38.460 0.045 0.000 1.062 402 Y HN -0.089 nan 8.280 nan 0.000 0.522 403 F N 1.671 121.363 119.950 -0.430 0.000 2.946 403 F HA 0.360 4.887 4.527 0.001 0.000 0.399 403 F C 0.288 175.915 175.800 -0.289 0.000 1.269 403 F CA -1.560 56.258 58.000 -0.303 0.000 1.165 403 F CB 0.349 39.155 39.000 -0.323 0.000 2.380 403 F HN -0.145 nan 8.300 nan 0.000 0.589 404 K N 0.182 120.416 120.400 -0.277 0.000 2.439 404 K HA 0.061 4.381 4.320 0.001 0.000 0.197 404 K C 2.003 178.421 176.600 -0.302 0.000 1.041 404 K CA 0.848 57.055 56.287 -0.134 0.000 0.970 404 K CB 0.122 32.706 32.500 0.140 0.000 0.773 404 K HN 0.618 nan 8.250 nan 0.000 0.479 405 G N 1.967 110.243 108.800 -0.873 0.000 2.443 405 G HA2 -0.199 3.761 3.960 0.001 0.000 0.219 405 G HA3 -0.199 3.761 3.960 0.001 0.000 0.219 405 G C 0.523 175.062 174.900 -0.602 0.000 1.131 405 G CA 0.216 44.574 45.100 -1.236 0.000 0.775 405 G HN 0.168 nan 8.290 nan 0.000 0.547 406 K N 0.071 120.196 120.400 -0.458 0.000 2.130 406 K HA 0.562 4.883 4.320 0.001 0.000 0.268 406 K C -0.584 175.954 176.600 -0.104 0.000 0.983 406 K CA -0.645 55.534 56.287 -0.180 0.000 0.893 406 K CB 0.889 33.398 32.500 0.015 0.000 1.066 406 K HN -0.020 nan 8.250 nan 0.000 0.450 407 L N 2.968 124.146 121.223 -0.076 0.000 2.307 407 L HA 0.444 4.785 4.340 0.001 0.000 0.282 407 L C -0.135 176.693 176.870 -0.071 0.000 1.051 407 L CA -0.839 53.965 54.840 -0.060 0.000 0.804 407 L CB 1.725 43.748 42.059 -0.060 0.000 1.197 407 L HN 0.710 nan 8.230 nan 0.000 0.431 408 A N 5.324 128.081 122.820 -0.105 0.000 2.582 408 A HA 0.547 4.868 4.320 0.001 0.000 0.336 408 A C 0.280 177.824 177.584 -0.067 0.000 1.445 408 A CA -0.361 51.565 52.037 -0.184 0.000 0.997 408 A CB -0.209 18.450 19.000 -0.568 0.000 1.148 408 A HN 0.815 nan 8.150 nan 0.000 0.514 409 L N 2.779 124.047 121.223 0.076 0.000 3.017 409 L HA 0.299 4.640 4.340 0.001 0.000 0.255 409 L C 1.159 178.283 176.870 0.423 0.000 1.247 409 L CA -0.228 54.730 54.840 0.195 0.000 1.038 409 L CB 0.252 42.377 42.059 0.109 0.000 1.380 409 L HN 0.698 nan 8.230 nan 0.000 0.548 410 G N 0.445 109.516 108.800 0.452 0.000 2.511 410 G HA2 0.561 4.521 3.960 0.001 0.000 0.316 410 G HA3 0.561 4.521 3.960 0.001 0.000 0.316 410 G C -2.726 172.510 174.900 0.560 0.000 1.210 410 G CA -1.117 44.223 45.100 0.401 0.000 0.969 410 G HN -0.165 nan 8.290 nan 0.000 0.492 411 P HA 0.221 nan 4.420 nan 0.000 0.278 411 P C -0.042 177.450 177.300 0.319 0.000 1.266 411 P CA -0.635 62.756 63.100 0.484 0.000 0.807 411 P CB 0.764 32.780 31.700 0.526 0.000 1.094 412 M N 1.348 121.157 119.600 0.348 0.000 2.290 412 M HA 0.010 4.490 4.480 0.001 0.000 0.356 412 M C 0.328 176.673 176.300 0.076 0.000 1.448 412 M CA 1.174 56.536 55.300 0.103 0.000 0.993 412 M CB -1.723 30.721 32.600 -0.259 0.000 1.934 412 M HN 0.573 nan 8.290 nan 0.000 0.461 413 H N 0.124 119.076 119.070 -0.197 0.000 2.947 413 H HA 0.497 5.053 4.556 0.001 0.000 0.354 413 H C 0.586 175.779 175.328 -0.224 0.000 1.085 413 H CA 0.785 56.663 56.048 -0.283 0.000 1.253 413 H CB 1.261 30.768 29.762 -0.424 0.000 1.757 413 H HN 0.794 nan 8.280 nan 0.000 0.523 414 G N 3.315 111.735 108.800 -0.633 0.000 2.175 414 G HA2 -0.239 3.721 3.960 0.001 0.000 0.244 414 G HA3 -0.239 3.721 3.960 0.001 0.000 0.244 414 G C -0.323 174.389 174.900 -0.314 0.000 0.982 414 G CA 0.143 45.015 45.100 -0.381 0.000 0.641 414 G HN 0.595 nan 8.290 nan 0.000 0.527 415 L N 1.782 122.728 121.223 -0.462 0.000 2.265 415 L HA 0.359 4.699 4.340 0.001 0.000 0.288 415 L C 0.543 177.288 176.870 -0.207 0.000 1.058 415 L CA -0.809 53.728 54.840 -0.505 0.000 0.809 415 L CB 1.055 42.533 42.059 -0.968 0.000 1.179 415 L HN 0.149 nan 8.230 nan 0.000 0.429 416 D N 3.006 123.372 120.400 -0.057 0.000 2.488 416 D HA -0.068 4.572 4.640 0.001 0.000 0.238 416 D C 0.675 177.055 176.300 0.134 0.000 1.138 416 D CA 0.333 54.362 54.000 0.049 0.000 0.873 416 D CB 1.053 41.901 40.800 0.079 0.000 1.183 416 D HN 0.495 nan 8.370 nan 0.000 0.458 417 K N 1.671 122.149 120.400 0.131 0.000 2.504 417 K HA 0.011 4.332 4.320 0.001 0.000 0.195 417 K C 1.470 178.092 176.600 0.036 0.000 1.036 417 K CA 0.401 56.764 56.287 0.126 0.000 0.984 417 K CB 0.334 32.914 32.500 0.135 0.000 0.788 417 K HN 0.429 nan 8.250 nan 0.000 0.488 418 G N 0.037 108.866 108.800 0.048 0.000 3.393 418 G HA2 -0.019 3.942 3.960 0.001 0.000 0.255 418 G HA3 -0.019 3.942 3.960 0.001 0.000 0.255 418 G C 0.880 175.803 174.900 0.039 0.000 1.097 418 G CA -0.262 44.852 45.100 0.023 0.000 0.780 418 G HN 0.051 nan 8.290 nan 0.000 0.540 419 L N 1.938 123.202 121.223 0.069 0.000 2.187 419 L HA -0.100 4.241 4.340 0.001 0.000 0.213 419 L C 2.565 179.497 176.870 0.103 0.000 1.100 419 L CA 1.946 56.871 54.840 0.140 0.000 0.765 419 L CB -0.616 41.539 42.059 0.159 0.000 0.904 419 L HN 0.623 nan 8.230 nan 0.000 0.437 420 N N -1.588 117.105 118.700 -0.011 0.000 2.443 420 N HA -0.280 4.460 4.740 0.001 0.000 0.184 420 N C 1.774 177.244 175.510 -0.067 0.000 1.037 420 N CA 0.920 53.950 53.050 -0.035 0.000 0.896 420 N CB -0.464 37.965 38.487 -0.098 0.000 0.959 420 N HN 0.546 nan 8.380 nan 0.000 0.442 421 Q N -0.394 119.313 119.800 -0.154 0.000 2.234 421 Q HA -0.178 4.162 4.340 0.001 0.000 0.206 421 Q C 0.320 176.007 176.000 -0.523 0.000 0.980 421 Q CA 1.404 56.965 55.803 -0.403 0.000 0.869 421 Q CB -0.001 28.366 28.738 -0.620 0.000 0.912 421 Q HN 0.749 nan 8.270 nan 0.000 0.436 422 Y N -1.755 118.591 120.300 0.076 0.000 2.626 422 Y HA 0.357 4.907 4.550 0.001 0.000 0.248 422 Y C -0.732 175.241 175.900 0.123 0.000 1.147 422 Y CA -0.754 57.395 58.100 0.082 0.000 1.219 422 Y CB 1.716 40.219 38.460 0.073 0.000 1.279 422 Y HN -0.189 nan 8.280 nan 0.000 0.541 423 V N 0.388 120.455 119.914 0.255 0.000 2.668 423 V HA 0.233 4.354 4.120 0.001 0.000 0.304 423 V C -0.986 175.239 176.094 0.219 0.000 1.071 423 V CA -0.653 61.824 62.300 0.295 0.000 0.894 423 V CB 2.107 34.163 31.823 0.389 0.000 1.008 423 V HN 0.000 nan 8.190 nan 0.000 0.425 424 D N 2.889 123.438 120.400 0.248 0.000 2.623 424 D HA 0.315 4.956 4.640 0.001 0.000 0.252 424 D C -0.904 175.581 176.300 0.309 0.000 1.294 424 D CA 0.142 54.268 54.000 0.210 0.000 0.824 424 D CB 0.277 41.171 40.800 0.157 0.000 1.070 424 D HN 0.364 nan 8.370 nan 0.000 0.487 425 F N 0.986 121.052 119.950 0.194 0.000 2.722 425 F HA 0.357 4.885 4.527 0.001 0.000 0.336 425 F C -2.154 173.811 175.800 0.276 0.000 1.216 425 F CA -1.093 57.028 58.000 0.201 0.000 1.065 425 F CB 1.005 40.106 39.000 0.170 0.000 1.325 425 F HN -0.227 nan 8.300 nan 0.000 0.524 426 F N 5.777 125.807 119.950 0.133 0.000 2.499 426 F HA 0.645 5.173 4.527 0.001 0.000 0.333 426 F C -0.677 175.188 175.800 0.109 0.000 1.138 426 F CA -0.255 57.850 58.000 0.174 0.000 0.945 426 F CB 1.516 40.584 39.000 0.114 0.000 1.181 426 F HN 0.464 nan 8.300 nan 0.000 0.435 427 T N 3.299 117.618 114.554 -0.391 0.000 2.908 427 T HA 0.767 5.118 4.350 0.001 0.000 0.290 427 T C -0.776 173.601 174.700 -0.538 0.000 1.034 427 T CA -0.746 61.137 62.100 -0.362 0.000 1.010 427 T CB 1.479 70.255 68.868 -0.152 0.000 1.068 427 T HN 0.742 nan 8.240 nan 0.000 0.481 428 V N 0.032 119.781 119.914 -0.274 0.000 2.581 428 V HA 0.710 4.831 4.120 0.001 0.000 0.303 428 V C -0.404 175.614 176.094 -0.125 0.000 1.041 428 V CA -1.068 61.181 62.300 -0.085 0.000 0.907 428 V CB 1.454 33.377 31.823 0.166 0.000 0.994 428 V HN 0.932 nan 8.190 nan 0.000 0.442 429 N N 5.873 124.502 118.700 -0.118 0.000 2.420 429 N HA 0.547 5.287 4.740 0.001 0.000 0.249 429 N C -2.395 173.174 175.510 0.099 0.000 1.033 429 N CA -1.883 51.117 53.050 -0.084 0.000 0.944 429 N CB 1.386 39.855 38.487 -0.030 0.000 1.113 429 N HN 0.638 nan 8.380 nan 0.000 0.502 430 P HA 0.254 nan 4.420 nan 0.000 0.284 430 P C -0.156 177.119 177.300 -0.041 0.000 1.292 430 P CA -0.460 62.737 63.100 0.162 0.000 0.800 430 P CB 1.064 32.989 31.700 0.374 0.000 1.188 431 M N 0.057 119.598 119.600 -0.099 0.000 2.227 431 M HA 0.114 4.594 4.480 0.001 0.000 0.316 431 M C 1.859 177.733 176.300 -0.710 0.000 1.144 431 M CA -0.000 55.127 55.300 -0.287 0.000 1.121 431 M CB 0.175 32.739 32.600 -0.061 0.000 1.440 431 M HN 0.462 nan 8.290 nan 0.000 0.473 432 E N 0.059 119.744 120.200 -0.858 0.000 2.331 432 E HA -0.170 4.181 4.350 0.001 0.000 0.199 432 E C -0.126 176.325 176.600 -0.247 0.000 1.008 432 E CA 1.119 57.088 56.400 -0.718 0.000 0.843 432 E CB -0.248 29.195 29.700 -0.429 0.000 0.761 432 E HN 0.511 nan 8.360 nan 0.000 0.507 433 H N 0.674 119.732 119.070 -0.020 0.000 3.014 433 H HA 0.326 4.882 4.556 0.001 0.000 0.266 433 H C 0.884 176.193 175.328 -0.032 0.000 1.455 433 H CA 0.262 56.309 56.048 -0.001 0.000 1.402 433 H CB 0.926 30.683 29.762 -0.009 0.000 1.626 433 H HN 0.268 nan 8.280 nan 0.000 0.520 434 A N 2.916 125.685 122.820 -0.086 0.000 1.883 434 A HA -0.255 4.065 4.320 0.001 0.000 0.217 434 A C 2.359 179.763 177.584 -0.299 0.000 1.186 434 A CA 1.901 53.663 52.037 -0.458 0.000 0.624 434 A CB -0.053 18.303 19.000 -1.072 0.000 0.822 434 A HN 0.538 nan 8.150 nan 0.000 0.444 435 E N -0.498 119.580 120.200 -0.203 0.000 2.047 435 E HA -0.108 4.243 4.350 0.001 0.000 0.191 435 E C 1.657 178.197 176.600 -0.100 0.000 0.987 435 E CA 1.066 57.354 56.400 -0.186 0.000 0.799 435 E CB -0.311 29.315 29.700 -0.123 0.000 0.752 435 E HN 0.361 nan 8.360 nan 0.000 0.449 436 L N 0.347 121.568 121.223 -0.002 0.000 2.291 436 L HA 0.045 4.385 4.340 0.001 0.000 0.214 436 L C 2.217 179.130 176.870 0.072 0.000 1.120 436 L CA 1.138 56.015 54.840 0.061 0.000 0.799 436 L CB -0.628 41.472 42.059 0.068 0.000 0.925 436 L HN 0.032 nan 8.230 nan 0.000 0.446 437 S N -0.560 115.177 115.700 0.062 0.000 2.419 437 S HA -0.208 4.263 4.470 0.001 0.000 0.235 437 S C 1.891 176.578 174.600 0.145 0.000 1.019 437 S CA 1.011 59.279 58.200 0.114 0.000 0.982 437 S CB -0.193 63.102 63.200 0.158 0.000 0.789 437 S HN 0.447 nan 8.310 nan 0.000 0.490 438 K N 0.715 121.120 120.400 0.009 0.000 2.211 438 K HA -0.048 4.272 4.320 0.001 0.000 0.204 438 K C 1.789 178.530 176.600 0.235 0.000 1.047 438 K CA 1.030 57.286 56.287 -0.053 0.000 0.935 438 K CB -0.336 31.795 32.500 -0.614 0.000 0.728 438 K HN 0.384 nan 8.250 nan 0.000 0.452 439 I N 0.216 120.905 120.570 0.199 0.000 2.113 439 I HA -0.314 3.857 4.170 0.001 0.000 0.238 439 I C 2.613 178.946 176.117 0.361 0.000 1.070 439 I CA 1.208 62.651 61.300 0.238 0.000 1.332 439 I CB -0.402 37.710 38.000 0.187 0.000 1.044 439 I HN 0.098 nan 8.210 nan 0.000 0.402 440 S N 0.653 116.580 115.700 0.378 0.000 2.368 440 S HA -0.111 4.359 4.470 0.001 0.000 0.225 440 S C 2.068 176.942 174.600 0.457 0.000 1.030 440 S CA 1.179 59.655 58.200 0.460 0.000 0.999 440 S CB -0.368 63.113 63.200 0.468 0.000 0.844 440 S HN 0.278 nan 8.310 nan 0.000 0.459 441 I N 1.058 121.891 120.570 0.439 0.000 2.264 441 I HA -0.218 3.952 4.170 0.001 0.000 0.248 441 I C 2.550 178.936 176.117 0.448 0.000 1.111 441 I CA 1.616 63.189 61.300 0.454 0.000 1.382 441 I CB -0.555 37.777 38.000 0.553 0.000 1.060 441 I HN 0.468 nan 8.210 nan 0.000 0.418 442 H N 1.189 120.511 119.070 0.421 0.000 2.352 442 H HA -0.188 4.369 4.556 0.001 0.000 0.299 442 H C 2.365 177.848 175.328 0.260 0.000 1.097 442 H CA 2.308 58.544 56.048 0.314 0.000 1.311 442 H CB 0.021 29.990 29.762 0.344 0.000 1.377 442 H HN 0.447 nan 8.280 nan 0.000 0.504 443 T N -1.898 112.960 114.554 0.507 0.000 2.904 443 T HA 0.083 4.434 4.350 0.001 0.000 0.267 443 T C 2.263 177.170 174.700 0.346 0.000 1.059 443 T CA 1.043 63.445 62.100 0.502 0.000 1.137 443 T CB -0.536 68.683 68.868 0.585 0.000 0.879 443 T HN 0.342 nan 8.240 nan 0.000 0.467 444 A N 1.814 124.820 122.820 0.310 0.000 1.933 444 A HA 0.345 4.665 4.320 0.001 0.000 0.218 444 A C 2.811 180.514 177.584 0.197 0.000 1.175 444 A CA 1.756 53.967 52.037 0.291 0.000 0.628 444 A CB -1.364 17.888 19.000 0.419 0.000 0.814 444 A HN 0.764 nan 8.150 nan 0.000 0.444 445 A N -0.216 122.678 122.820 0.124 0.000 1.933 445 A HA -0.193 4.128 4.320 0.001 0.000 0.218 445 A C 1.849 179.445 177.584 0.021 0.000 1.175 445 A CA 2.176 54.218 52.037 0.009 0.000 0.628 445 A CB -0.597 18.310 19.000 -0.155 0.000 0.814 445 A HN 0.562 nan 8.150 nan 0.000 0.444 446 D N -2.373 118.073 120.400 0.076 0.000 2.120 446 D HA -0.144 4.496 4.640 0.001 0.000 0.202 446 D C 1.762 178.152 176.300 0.152 0.000 0.972 446 D CA 1.192 55.282 54.000 0.150 0.000 0.837 446 D CB -0.255 40.716 40.800 0.284 0.000 0.989 446 D HN 0.451 nan 8.370 nan 0.000 0.469 447 Y N 1.144 121.355 120.300 -0.149 0.000 2.128 447 Y HA -0.242 4.309 4.550 0.001 0.000 0.284 447 Y C 2.382 178.073 175.900 -0.348 0.000 1.154 447 Y CA 2.431 60.199 58.100 -0.554 0.000 1.149 447 Y CB -0.697 37.112 38.460 -1.085 0.000 0.976 447 Y HN 0.098 nan 8.280 nan 0.000 0.505 448 S N -0.718 114.756 115.700 -0.378 0.000 2.461 448 S HA -0.155 4.316 4.470 0.001 0.000 0.228 448 S C 1.945 176.441 174.600 -0.173 0.000 1.005 448 S CA 0.591 58.551 58.200 -0.401 0.000 0.942 448 S CB -1.030 62.086 63.200 -0.139 0.000 0.776 448 S HN 0.744 nan 8.310 nan 0.000 0.514 449 W N 2.389 123.552 121.300 -0.229 0.000 2.525 449 W HA 0.322 4.983 4.660 0.001 0.000 0.288 449 W C 0.159 176.560 176.519 -0.196 0.000 1.200 449 W CA 0.449 57.685 57.345 -0.183 0.000 1.349 449 W CB -0.128 29.235 29.460 -0.162 0.000 1.102 449 W HN 0.298 nan 8.180 nan 0.000 0.558 450 N N 1.350 120.103 118.700 0.088 0.000 2.844 450 N HA 0.078 4.818 4.740 0.001 0.000 0.268 450 N C 0.831 176.313 175.510 -0.046 0.000 1.574 450 N CA -0.052 53.002 53.050 0.007 0.000 0.838 450 N CB -0.181 38.381 38.487 0.125 0.000 1.177 450 N HN 0.063 nan 8.380 nan 0.000 0.495 451 M N 0.225 119.706 119.600 -0.199 0.000 2.086 451 M HA -0.155 4.326 4.480 0.001 0.000 0.261 451 M C 1.263 177.525 176.300 -0.064 0.000 1.067 451 M CA 1.800 56.923 55.300 -0.295 0.000 1.116 451 M CB 0.032 32.344 32.600 -0.480 0.000 1.348 451 M HN 0.233 nan 8.290 nan 0.000 0.407 452 D N 0.149 120.514 120.400 -0.059 0.000 2.221 452 D HA -0.161 4.480 4.640 0.001 0.000 0.204 452 D C 1.171 177.494 176.300 0.037 0.000 0.982 452 D CA 1.206 55.202 54.000 -0.007 0.000 0.857 452 D CB -0.107 40.677 40.800 -0.027 0.000 0.934 452 D HN 0.424 nan 8.370 nan 0.000 0.475 453 N N -0.879 117.850 118.700 0.049 0.000 2.236 453 N HA -0.073 4.668 4.740 0.001 0.000 0.196 453 N C -0.399 175.169 175.510 0.097 0.000 1.114 453 N CA -0.211 52.872 53.050 0.054 0.000 0.859 453 N CB 0.254 38.758 38.487 0.028 0.000 0.982 453 N HN 0.253 nan 8.380 nan 0.000 0.493 454 Y N 2.761 123.087 120.300 0.044 0.000 2.729 454 Y HA -0.041 4.510 4.550 0.001 0.000 0.331 454 Y C -0.055 175.907 175.900 0.103 0.000 1.208 454 Y CA 0.144 58.307 58.100 0.105 0.000 1.521 454 Y CB 0.227 38.809 38.460 0.203 0.000 1.233 454 Y HN -0.084 nan 8.280 nan 0.000 0.539 455 D N 6.033 126.065 120.400 -0.614 0.000 2.469 455 D HA 0.011 4.652 4.640 0.001 0.000 0.251 455 D C 0.275 176.154 176.300 -0.701 0.000 1.173 455 D CA -0.547 53.147 54.000 -0.511 0.000 0.882 455 D CB 0.409 41.048 40.800 -0.268 0.000 1.129 455 D HN 0.659 nan 8.370 nan 0.000 0.549 456 Y N 2.730 122.680 120.300 -0.583 0.000 2.224 456 Y HA -0.076 4.475 4.550 0.001 0.000 0.289 456 Y C 1.546 177.424 175.900 -0.036 0.000 1.146 456 Y CA 1.452 59.358 58.100 -0.322 0.000 1.182 456 Y CB -0.438 38.037 38.460 0.025 0.000 0.983 456 Y HN 0.298 nan 8.280 nan 0.000 0.524 457 D N 0.318 120.441 120.400 -0.461 0.000 2.097 457 D HA -0.141 4.499 4.640 0.001 0.000 0.197 457 D C 1.916 178.247 176.300 0.051 0.000 0.984 457 D CA 1.656 55.565 54.000 -0.151 0.000 0.826 457 D CB -0.046 40.562 40.800 -0.320 0.000 0.973 457 D HN 0.357 nan 8.370 nan 0.000 0.460 458 K N -0.100 120.260 120.400 -0.067 0.000 2.057 458 K HA -0.057 4.263 4.320 0.001 0.000 0.207 458 K C 2.144 178.780 176.600 0.059 0.000 1.049 458 K CA 1.246 57.527 56.287 -0.009 0.000 0.931 458 K CB -0.199 32.265 32.500 -0.061 0.000 0.714 458 K HN 0.144 nan 8.250 nan 0.000 0.440 459 A N 0.332 123.185 122.820 0.055 0.000 1.933 459 A HA -0.195 4.125 4.320 0.001 0.000 0.218 459 A C 1.922 179.679 177.584 0.289 0.000 1.175 459 A CA 1.337 53.490 52.037 0.192 0.000 0.628 459 A CB -0.843 18.306 19.000 0.249 0.000 0.814 459 A HN 0.595 nan 8.150 nan 0.000 0.444 460 W N 1.380 122.754 121.300 0.125 0.000 2.354 460 W HA -0.167 4.494 4.660 0.001 0.000 0.315 460 W C 2.073 178.630 176.519 0.064 0.000 1.206 460 W CA 1.889 59.312 57.345 0.131 0.000 1.290 460 W CB -0.367 29.179 29.460 0.143 0.000 1.152 460 W HN 0.357 nan 8.180 nan 0.000 0.489 461 N N 0.198 118.965 118.700 0.110 0.000 2.104 461 N HA -0.215 4.526 4.740 0.001 0.000 0.190 461 N C 1.890 177.317 175.510 -0.139 0.000 1.024 461 N CA 1.829 54.817 53.050 -0.104 0.000 0.853 461 N CB -0.570 37.945 38.487 0.046 0.000 1.008 461 N HN 0.286 nan 8.380 nan 0.000 0.424 462 R N 0.757 121.232 120.500 -0.042 0.000 2.091 462 R HA -0.068 4.273 4.340 0.001 0.000 0.238 462 R C 2.286 178.463 176.300 -0.205 0.000 1.136 462 R CA 1.273 57.350 56.100 -0.038 0.000 0.959 462 R CB -0.262 30.091 30.300 0.088 0.000 0.856 462 R HN 0.196 nan 8.270 nan 0.000 0.437 463 A N 1.126 123.734 122.820 -0.354 0.000 1.865 463 A HA -0.184 4.137 4.320 0.001 0.000 0.217 463 A C 2.125 179.459 177.584 -0.417 0.000 1.191 463 A CA 1.453 53.008 52.037 -0.804 0.000 0.623 463 A CB -0.540 18.233 19.000 -0.378 0.000 0.826 463 A HN 0.229 nan 8.150 nan 0.000 0.444 464 I N -0.323 120.045 120.570 -0.337 0.000 2.252 464 I HA -0.218 3.953 4.170 0.001 0.000 0.245 464 I C 1.967 178.045 176.117 -0.065 0.000 1.102 464 I CA 1.319 62.512 61.300 -0.178 0.000 1.385 464 I CB -0.555 37.185 38.000 -0.433 0.000 1.064 464 I HN 0.253 nan 8.210 nan 0.000 0.414 465 D N 0.918 121.239 120.400 -0.132 0.000 2.106 465 D HA -0.226 4.415 4.640 0.001 0.000 0.191 465 D C 2.284 178.553 176.300 -0.051 0.000 0.997 465 D CA 1.733 55.690 54.000 -0.071 0.000 0.834 465 D CB -0.234 40.524 40.800 -0.069 0.000 0.956 465 D HN 0.326 nan 8.370 nan 0.000 0.448 466 M N -0.313 119.238 119.600 -0.081 0.000 2.200 466 M HA -0.048 4.433 4.480 0.001 0.000 0.265 466 M C 2.276 178.537 176.300 -0.063 0.000 1.066 466 M CA 0.783 56.058 55.300 -0.041 0.000 1.127 466 M CB 0.002 32.621 32.600 0.032 0.000 1.379 466 M HN -0.029 nan 8.290 nan 0.000 0.420 467 L N -1.984 119.168 121.223 -0.118 0.000 2.209 467 L HA -0.113 4.227 4.340 0.001 0.000 0.207 467 L C 1.433 178.006 176.870 -0.495 0.000 1.094 467 L CA 1.031 55.709 54.840 -0.271 0.000 0.790 467 L CB -0.117 41.764 42.059 -0.295 0.000 0.932 467 L HN 0.254 nan 8.230 nan 0.000 0.447 468 Y N -1.229 119.017 120.300 -0.088 0.000 2.430 468 Y HA 0.300 4.851 4.550 0.001 0.000 0.248 468 Y C 1.810 177.673 175.900 -0.063 0.000 1.108 468 Y CA 0.234 58.288 58.100 -0.077 0.000 1.264 468 Y CB 0.346 38.754 38.460 -0.086 0.000 1.172 468 Y HN 0.157 nan 8.280 nan 0.000 0.520 469 G N 1.097 109.915 108.800 0.030 0.000 2.665 469 G HA2 -0.439 3.522 3.960 0.001 0.000 0.326 469 G HA3 -0.439 3.522 3.960 0.001 0.000 0.326 469 G C 0.947 175.857 174.900 0.018 0.000 1.231 469 G CA 1.045 46.148 45.100 0.005 0.000 0.992 469 G HN 0.300 nan 8.290 nan 0.000 0.549 470 D N 0.123 120.530 120.400 0.012 0.000 2.264 470 D HA 0.041 4.681 4.640 0.001 0.000 0.208 470 D C 2.323 178.634 176.300 0.019 0.000 0.966 470 D CA 0.744 54.749 54.000 0.009 0.000 0.864 470 D CB 0.004 40.804 40.800 -0.000 0.000 0.933 470 D HN 0.161 nan 8.370 nan 0.000 0.499 471 L N 0.265 121.517 121.223 0.049 0.000 2.591 471 L HA 0.223 4.564 4.340 0.001 0.000 0.228 471 L C 1.931 178.817 176.870 0.027 0.000 1.133 471 L CA 0.169 55.039 54.840 0.050 0.000 0.880 471 L CB -0.532 41.587 42.059 0.099 0.000 1.033 471 L HN -0.154 nan 8.230 nan 0.000 0.450 472 A N -0.656 122.187 122.820 0.039 0.000 1.883 472 A HA -0.183 4.138 4.320 0.001 0.000 0.217 472 A C 2.149 179.691 177.584 -0.071 0.000 1.186 472 A CA 1.672 53.703 52.037 -0.011 0.000 0.624 472 A CB -0.288 18.705 19.000 -0.011 0.000 0.822 472 A HN 0.398 nan 8.150 nan 0.000 0.444 473 E N 0.318 120.494 120.200 -0.040 0.000 2.072 473 E HA -0.155 4.195 4.350 0.001 0.000 0.191 473 E C 1.609 178.199 176.600 -0.016 0.000 0.985 473 E CA 1.273 57.656 56.400 -0.028 0.000 0.801 473 E CB -0.494 29.199 29.700 -0.011 0.000 0.750 473 E HN 0.577 nan 8.360 nan 0.000 0.452 474 D N 0.235 120.623 120.400 -0.020 0.000 2.117 474 D HA -0.144 4.497 4.640 0.001 0.000 0.197 474 D C 1.930 178.222 176.300 -0.013 0.000 0.987 474 D CA 0.876 54.870 54.000 -0.010 0.000 0.829 474 D CB -0.181 40.603 40.800 -0.026 0.000 0.961 474 D HN 0.097 nan 8.370 nan 0.000 0.460 475 M N 0.972 120.512 119.600 -0.101 0.000 2.175 475 M HA -0.102 4.378 4.480 0.001 0.000 0.264 475 M C 1.685 177.936 176.300 -0.081 0.000 1.063 475 M CA 1.476 56.671 55.300 -0.175 0.000 1.119 475 M CB 0.005 32.263 32.600 -0.569 0.000 1.377 475 M HN -0.197 nan 8.290 nan 0.000 0.415 476 K N -0.990 119.348 120.400 -0.104 0.000 2.026 476 K HA -0.130 4.190 4.320 0.001 0.000 0.208 476 K C 1.811 178.527 176.600 0.193 0.000 1.048 476 K CA 1.717 57.988 56.287 -0.026 0.000 0.929 476 K CB -0.585 31.875 32.500 -0.066 0.000 0.713 476 K HN 0.227 nan 8.250 nan 0.000 0.439 477 V N 1.347 121.355 119.914 0.158 0.000 2.252 477 V HA -0.294 3.827 4.120 0.001 0.000 0.249 477 V C 2.043 178.332 176.094 0.326 0.000 1.056 477 V CA 2.094 64.524 62.300 0.218 0.000 1.022 477 V CB -0.562 31.359 31.823 0.163 0.000 0.641 477 V HN 0.249 nan 8.190 nan 0.000 0.445 478 F N 1.519 121.540 119.950 0.118 0.000 2.051 478 F HA -0.098 4.429 4.527 0.001 0.000 0.296 478 F C 2.291 178.196 175.800 0.175 0.000 1.122 478 F CA 1.605 59.671 58.000 0.110 0.000 1.201 478 F CB -0.882 38.122 39.000 0.006 0.000 0.978 478 F HN 0.055 nan 8.300 nan 0.000 0.472 479 A N 0.093 122.868 122.820 -0.076 0.000 2.019 479 A HA -0.224 4.096 4.320 0.001 0.000 0.219 479 A C 1.971 179.646 177.584 0.152 0.000 1.164 479 A CA 1.663 53.637 52.037 -0.106 0.000 0.644 479 A CB -1.248 17.811 19.000 0.099 0.000 0.805 479 A HN 0.568 nan 8.150 nan 0.000 0.449 480 N N -0.454 118.417 118.700 0.286 0.000 2.258 480 N HA -0.188 4.552 4.740 0.001 0.000 0.187 480 N C 1.142 176.538 175.510 -0.189 0.000 1.012 480 N CA 1.637 54.704 53.050 0.028 0.000 0.870 480 N CB -0.452 38.070 38.487 0.059 0.000 0.977 480 N HN 0.703 nan 8.380 nan 0.000 0.434 481 H N -2.322 116.695 119.070 -0.087 0.000 2.539 481 H HA 0.342 4.899 4.556 0.001 0.000 0.269 481 H C 0.031 175.279 175.328 -0.134 0.000 0.980 481 H CA 0.273 56.264 56.048 -0.094 0.000 1.152 481 H CB 0.443 30.173 29.762 -0.054 0.000 1.407 481 H HN -0.019 nan 8.280 nan 0.000 0.564 482 S N -0.226 115.417 115.700 -0.096 0.000 2.399 482 S HA 0.077 4.547 4.470 0.001 0.000 0.198 482 S C 0.956 175.527 174.600 -0.048 0.000 1.294 482 S CA 0.063 58.196 58.200 -0.111 0.000 1.237 482 S CB -0.254 62.785 63.200 -0.268 0.000 1.286 482 S HN 0.514 nan 8.310 nan 0.000 0.404 483 T N -1.229 113.302 114.554 -0.038 0.000 2.978 483 T HA 0.341 4.692 4.350 0.001 0.000 0.248 483 T C 0.660 175.413 174.700 0.087 0.000 1.018 483 T CA -0.179 61.938 62.100 0.029 0.000 1.026 483 T CB 0.049 68.836 68.868 -0.134 0.000 1.032 483 T HN 0.264 nan 8.240 nan 0.000 0.485 484 R N 1.801 122.305 120.500 0.006 0.000 2.221 484 R HA 0.514 4.854 4.340 0.001 0.000 0.327 484 R C -0.645 175.687 176.300 0.053 0.000 1.033 484 R CA -0.524 55.579 56.100 0.005 0.000 0.887 484 R CB 0.198 30.461 30.300 -0.062 0.000 1.057 484 R HN 0.176 nan 8.270 nan 0.000 0.455 485 M N 3.010 122.671 119.600 0.102 0.000 2.268 485 M HA 0.315 4.795 4.480 0.001 0.000 0.344 485 M C -1.101 175.178 176.300 -0.036 0.000 1.106 485 M CA -0.593 54.756 55.300 0.082 0.000 1.010 485 M CB 1.595 34.325 32.600 0.215 0.000 1.649 485 M HN 0.572 nan 8.290 nan 0.000 0.443 486 D N 2.261 122.527 120.400 -0.224 0.000 2.548 486 D HA 0.122 4.763 4.640 0.001 0.000 0.214 486 D C -0.016 175.830 176.300 -0.758 0.000 1.345 486 D CA -0.209 53.578 54.000 -0.355 0.000 0.945 486 D CB 0.908 41.558 40.800 -0.250 0.000 1.499 486 D HN 0.605 nan 8.370 nan 0.000 0.579 487 N N 3.124 121.429 118.700 -0.659 0.000 2.398 487 N HA -0.028 4.713 4.740 0.001 0.000 0.188 487 N C 0.143 175.413 175.510 -0.400 0.000 1.122 487 N CA 0.192 52.812 53.050 -0.716 0.000 0.866 487 N CB -0.080 38.212 38.487 -0.324 0.000 0.970 487 N HN 0.622 nan 8.380 nan 0.000 0.462 488 K N -2.334 117.866 120.400 -0.334 0.000 3.553 488 K HA -0.202 4.119 4.320 0.001 0.000 0.303 488 K C 0.363 176.896 176.600 -0.111 0.000 1.327 488 K CA 1.489 57.669 56.287 -0.178 0.000 0.983 488 K CB -2.266 30.166 32.500 -0.113 0.000 1.275 488 K HN 0.635 nan 8.250 nan 0.000 0.453 489 T N -2.736 111.734 114.554 -0.141 0.000 1.812 489 T HA 0.172 4.523 4.350 0.001 0.000 0.173 489 T C 1.136 175.806 174.700 -0.050 0.000 0.710 489 T CA -0.144 61.933 62.100 -0.038 0.000 1.065 489 T CB -0.436 68.492 68.868 0.100 0.000 3.214 489 T HN 0.355 nan 8.240 nan 0.000 0.403 490 W N 2.653 123.903 121.300 -0.083 0.000 2.800 490 W HA 0.605 5.266 4.660 0.001 0.000 0.249 490 W C 0.091 176.512 176.519 -0.163 0.000 1.294 490 W CA 0.013 57.295 57.345 -0.106 0.000 1.402 490 W CB -0.641 28.760 29.460 -0.099 0.000 1.126 490 W HN 0.589 nan 8.180 nan 0.000 0.652 491 A N 2.713 125.000 122.820 -0.887 0.000 2.319 491 A HA 0.633 4.954 4.320 0.001 0.000 0.310 491 A C -0.424 176.809 177.584 -0.585 0.000 1.152 491 A CA -0.737 50.688 52.037 -1.019 0.000 0.783 491 A CB 0.773 18.502 19.000 -2.119 0.000 1.184 491 A HN 0.250 nan 8.150 nan 0.000 0.474 492 K N 0.409 120.595 120.400 -0.357 0.000 2.557 492 K HA 0.782 5.102 4.320 0.001 0.000 0.257 492 K C -1.286 175.252 176.600 -0.104 0.000 0.933 492 K CA -0.489 55.684 56.287 -0.190 0.000 0.820 492 K CB 1.829 34.237 32.500 -0.153 0.000 1.330 492 K HN 0.577 nan 8.250 nan 0.000 0.432 493 S N 0.332 116.021 115.700 -0.019 0.000 2.578 493 S HA 0.820 5.290 4.470 0.001 0.000 0.272 493 S C -1.429 173.184 174.600 0.021 0.000 1.145 493 S CA 0.392 58.600 58.200 0.015 0.000 0.835 493 S CB 1.605 64.802 63.200 -0.005 0.000 1.104 493 S HN 1.567 nan 8.310 nan 0.000 0.458 494 G N 2.456 111.180 108.800 -0.127 0.000 2.525 494 G HA2 0.098 4.058 3.960 0.001 0.000 0.685 494 G HA3 0.098 4.058 3.960 0.001 0.000 0.685 494 G C -0.942 173.646 174.900 -0.519 0.000 1.285 494 G CA -0.711 44.178 45.100 -0.353 0.000 0.849 494 G HN 0.779 nan 8.290 nan 0.000 0.653 495 R N 0.658 120.627 120.500 -0.884 0.000 2.638 495 R HA 0.111 4.452 4.340 0.001 0.000 0.268 495 R C 0.470 176.472 176.300 -0.497 0.000 1.006 495 R CA -0.020 55.441 56.100 -1.065 0.000 1.088 495 R CB 0.267 30.076 30.300 -0.818 0.000 0.950 495 R HN 0.551 nan 8.270 nan 0.000 0.419 496 E N 2.287 122.262 120.200 -0.376 0.000 2.415 496 E HA -0.039 4.312 4.350 0.001 0.000 0.262 496 E C -0.490 175.982 176.600 -0.214 0.000 1.038 496 E CA 0.246 56.516 56.400 -0.217 0.000 0.921 496 E CB 0.396 30.007 29.700 -0.147 0.000 0.950 496 E HN 0.471 nan 8.360 nan 0.000 0.438 497 D N 0.511 120.814 120.400 -0.162 0.000 2.382 497 D HA 0.165 4.805 4.640 0.001 0.000 0.245 497 D C 0.330 176.496 176.300 -0.223 0.000 1.120 497 D CA 0.291 54.182 54.000 -0.182 0.000 0.890 497 D CB 0.682 41.421 40.800 -0.101 0.000 1.201 497 D HN 0.490 nan 8.370 nan 0.000 0.433 498 A N 3.609 126.233 122.820 -0.327 0.000 2.511 498 A HA -0.153 4.167 4.320 0.001 0.000 0.297 498 A C -1.096 176.362 177.584 -0.210 0.000 1.476 498 A CA 0.241 52.060 52.037 -0.364 0.000 0.757 498 A CB -1.153 17.450 19.000 -0.661 0.000 1.072 498 A HN 0.485 nan 8.150 nan 0.000 0.413 499 P HA -0.159 nan 4.420 nan 0.000 0.216 499 P C 1.085 178.332 177.300 -0.089 0.000 1.150 499 P CA 1.726 64.759 63.100 -0.111 0.000 0.837 499 P CB 0.119 31.760 31.700 -0.098 0.000 0.786 500 E N -0.251 119.890 120.200 -0.098 0.000 2.072 500 E HA -0.118 4.232 4.350 0.001 0.000 0.191 500 E C 2.046 178.589 176.600 -0.095 0.000 0.985 500 E CA 0.575 56.926 56.400 -0.083 0.000 0.801 500 E CB -1.155 28.500 29.700 -0.076 0.000 0.750 500 E HN 0.101 nan 8.360 nan 0.000 0.452 501 L N 0.796 121.954 121.223 -0.109 0.000 2.017 501 L HA -0.111 4.230 4.340 0.001 0.000 0.208 501 L C 2.161 178.972 176.870 -0.098 0.000 1.073 501 L CA 1.656 56.430 54.840 -0.110 0.000 0.745 501 L CB -0.332 41.685 42.059 -0.070 0.000 0.894 501 L HN -0.051 nan 8.230 nan 0.000 0.432 502 R N 0.284 120.743 120.500 -0.068 0.000 2.113 502 R HA -0.162 4.178 4.340 0.001 0.000 0.244 502 R C 2.160 178.442 176.300 -0.030 0.000 1.142 502 R CA 1.845 57.928 56.100 -0.027 0.000 0.953 502 R CB -1.251 29.038 30.300 -0.017 0.000 0.860 502 R HN 0.548 nan 8.270 nan 0.000 0.438 503 A N 0.761 123.553 122.820 -0.046 0.000 1.902 503 A HA -0.154 4.167 4.320 0.001 0.000 0.217 503 A C 2.128 179.672 177.584 -0.066 0.000 1.181 503 A CA 1.715 53.728 52.037 -0.039 0.000 0.623 503 A CB -0.345 18.631 19.000 -0.040 0.000 0.818 503 A HN 0.374 nan 8.150 nan 0.000 0.443 504 K N -0.873 119.462 120.400 -0.107 0.000 2.057 504 K HA -0.080 4.240 4.320 0.001 0.000 0.207 504 K C 2.076 178.550 176.600 -0.209 0.000 1.049 504 K CA 1.642 57.836 56.287 -0.156 0.000 0.931 504 K CB -0.308 32.074 32.500 -0.196 0.000 0.714 504 K HN 0.507 nan 8.250 nan 0.000 0.440 505 M N 0.997 120.466 119.600 -0.220 0.000 2.086 505 M HA -0.189 4.291 4.480 0.001 0.000 0.261 505 M C 1.464 177.641 176.300 -0.205 0.000 1.067 505 M CA 1.479 56.616 55.300 -0.272 0.000 1.116 505 M CB -0.273 32.245 32.600 -0.137 0.000 1.348 505 M HN 0.048 nan 8.290 nan 0.000 0.407 506 D N 0.148 120.539 120.400 -0.015 0.000 2.117 506 D HA -0.186 4.454 4.640 0.001 0.000 0.197 506 D C 1.795 178.115 176.300 0.033 0.000 0.987 506 D CA 1.244 55.303 54.000 0.097 0.000 0.829 506 D CB -0.370 40.485 40.800 0.092 0.000 0.961 506 D HN 0.482 nan 8.370 nan 0.000 0.460 507 E N 0.107 120.282 120.200 -0.042 0.000 2.077 507 E HA -0.182 4.169 4.350 0.001 0.000 0.193 507 E C 2.147 178.695 176.600 -0.088 0.000 0.989 507 E CA 0.483 56.854 56.400 -0.049 0.000 0.800 507 E CB -0.096 29.564 29.700 -0.067 0.000 0.746 507 E HN 0.109 nan 8.360 nan 0.000 0.452 508 L N 0.101 121.195 121.223 -0.214 0.000 2.012 508 L HA -0.150 4.191 4.340 0.001 0.000 0.210 508 L C 1.947 178.669 176.870 -0.247 0.000 1.073 508 L CA 1.959 56.605 54.840 -0.323 0.000 0.748 508 L CB -0.629 41.095 42.059 -0.558 0.000 0.891 508 L HN 0.304 nan 8.230 nan 0.000 0.431 509 W N -0.628 120.639 121.300 -0.055 0.000 2.374 509 W HA -0.198 4.463 4.660 0.001 0.000 0.288 509 W C 2.554 179.062 176.519 -0.018 0.000 1.218 509 W CA 0.556 57.836 57.345 -0.108 0.000 1.245 509 W CB -0.504 28.922 29.460 -0.057 0.000 1.126 509 W HN 0.326 nan 8.180 nan 0.000 0.545 510 N N 1.034 119.850 118.700 0.192 0.000 2.080 510 N HA -0.150 4.591 4.740 0.001 0.000 0.189 510 N C 1.509 177.083 175.510 0.107 0.000 1.036 510 N CA 1.630 54.762 53.050 0.137 0.000 0.846 510 N CB -0.300 38.241 38.487 0.089 0.000 1.015 510 N HN 0.015 nan 8.380 nan 0.000 0.423 511 K N 0.167 120.605 120.400 0.064 0.000 2.032 511 K HA -0.090 4.230 4.320 0.001 0.000 0.209 511 K C 2.098 178.755 176.600 0.094 0.000 1.048 511 K CA 1.160 57.479 56.287 0.053 0.000 0.927 511 K CB -0.331 32.176 32.500 0.011 0.000 0.712 511 K HN 0.229 nan 8.250 nan 0.000 0.441 512 L N 1.111 122.405 121.223 0.118 0.000 2.083 512 L HA -0.153 4.188 4.340 0.001 0.000 0.209 512 L C 2.399 179.458 176.870 0.316 0.000 1.083 512 L CA 1.353 56.320 54.840 0.211 0.000 0.752 512 L CB -0.474 41.699 42.059 0.189 0.000 0.899 512 L HN 0.265 nan 8.230 nan 0.000 0.433 513 S N -2.816 113.071 115.700 0.311 0.000 2.603 513 S HA 0.029 4.500 4.470 0.001 0.000 0.220 513 S C 1.405 176.099 174.600 0.155 0.000 0.967 513 S CA 0.180 58.542 58.200 0.268 0.000 0.920 513 S CB 0.203 63.568 63.200 0.276 0.000 0.773 513 S HN 0.203 nan 8.310 nan 0.000 0.529 514 S N 1.608 117.386 115.700 0.130 0.000 2.575 514 S HA 0.304 4.775 4.470 0.001 0.000 0.237 514 S C -0.071 174.574 174.600 0.074 0.000 0.975 514 S CA -0.652 57.600 58.200 0.087 0.000 0.960 514 S CB -0.165 63.078 63.200 0.072 0.000 0.822 514 S HN 0.585 nan 8.310 nan 0.000 0.472 515 K N 1.322 121.775 120.400 0.088 0.000 3.035 515 K HA -0.211 4.110 4.320 0.001 0.000 0.262 515 K C -0.669 175.966 176.600 0.058 0.000 1.024 515 K CA 0.805 57.135 56.287 0.072 0.000 0.748 515 K CB -1.657 30.875 32.500 0.053 0.000 1.247 515 K HN 0.548 nan 8.250 nan 0.000 0.482 516 E N 0.984 121.220 120.200 0.060 0.000 2.222 516 E HA 0.165 4.516 4.350 0.001 0.000 0.272 516 E C -0.519 176.105 176.600 0.040 0.000 0.982 516 E CA -0.947 55.479 56.400 0.043 0.000 0.842 516 E CB 1.082 30.803 29.700 0.036 0.000 1.144 516 E HN 0.118 nan 8.360 nan 0.000 0.397 517 D N 0.744 121.161 120.400 0.029 0.000 2.358 517 D HA 0.134 4.775 4.640 0.001 0.000 0.258 517 D C -0.230 176.078 176.300 0.013 0.000 1.223 517 D CA 0.094 54.109 54.000 0.025 0.000 0.886 517 D CB 0.774 41.586 40.800 0.020 0.000 1.120 517 D HN 0.471 nan 8.370 nan 0.000 0.482 518 A N 3.199 126.026 122.820 0.011 0.000 2.503 518 A HA 0.150 4.471 4.320 0.001 0.000 0.263 518 A C 2.036 179.611 177.584 -0.014 0.000 1.258 518 A CA -0.269 51.759 52.037 -0.015 0.000 0.936 518 A CB -0.016 18.962 19.000 -0.036 0.000 1.070 518 A HN 0.539 nan 8.150 nan 0.000 0.522 519 S N 0.566 116.270 115.700 0.007 0.000 2.380 519 S HA -0.282 4.188 4.470 0.001 0.000 0.229 519 S C 2.307 176.913 174.600 0.010 0.000 1.050 519 S CA 2.048 60.260 58.200 0.019 0.000 1.100 519 S CB -0.249 62.965 63.200 0.023 0.000 0.984 519 S HN 0.898 nan 8.310 nan 0.000 0.434 520 A N 0.220 123.036 122.820 -0.006 0.000 1.968 520 A HA 0.066 4.387 4.320 0.001 0.000 0.217 520 A C 2.057 179.618 177.584 -0.039 0.000 1.169 520 A CA 1.125 53.154 52.037 -0.015 0.000 0.638 520 A CB -0.469 18.520 19.000 -0.018 0.000 0.812 520 A HN 0.436 nan 8.150 nan 0.000 0.446 521 L N -0.114 121.073 121.223 -0.060 0.000 2.109 521 L HA 0.014 4.355 4.340 0.001 0.000 0.207 521 L C 2.120 178.908 176.870 -0.138 0.000 1.086 521 L CA 1.408 56.184 54.840 -0.107 0.000 0.760 521 L CB -0.443 41.544 42.059 -0.121 0.000 0.910 521 L HN 0.406 nan 8.230 nan 0.000 0.437 522 I N -0.331 120.180 120.570 -0.100 0.000 2.163 522 I HA -0.341 3.830 4.170 0.001 0.000 0.243 522 I C 2.379 178.479 176.117 -0.027 0.000 1.085 522 I CA 1.631 62.868 61.300 -0.105 0.000 1.347 522 I CB -0.335 37.653 38.000 -0.020 0.000 1.044 522 I HN 0.344 nan 8.210 nan 0.000 0.408 523 E N 0.352 120.592 120.200 0.067 0.000 2.058 523 E HA -0.317 4.034 4.350 0.001 0.000 0.194 523 E C 2.094 178.714 176.600 0.034 0.000 0.997 523 E CA 1.704 58.177 56.400 0.122 0.000 0.801 523 E CB -0.156 29.579 29.700 0.058 0.000 0.746 523 E HN 0.489 nan 8.360 nan 0.000 0.450 524 E N 0.808 120.971 120.200 -0.061 0.000 2.077 524 E HA -0.201 4.150 4.350 0.001 0.000 0.193 524 E C 2.112 178.568 176.600 -0.240 0.000 0.989 524 E CA 0.843 57.169 56.400 -0.123 0.000 0.800 524 E CB -0.034 29.587 29.700 -0.131 0.000 0.746 524 E HN 0.196 nan 8.360 nan 0.000 0.452 525 L N -0.199 120.805 121.223 -0.364 0.000 2.046 525 L HA -0.189 4.152 4.340 0.001 0.000 0.208 525 L C 2.358 178.756 176.870 -0.786 0.000 1.077 525 L CA 1.256 55.648 54.840 -0.747 0.000 0.747 525 L CB -0.567 41.036 42.059 -0.760 0.000 0.896 525 L HN 0.273 nan 8.230 nan 0.000 0.432 526 Y N 0.175 120.297 120.300 -0.297 0.000 2.151 526 Y HA -0.263 4.287 4.550 0.001 0.000 0.284 526 Y C 2.612 178.441 175.900 -0.118 0.000 1.166 526 Y CA 1.142 59.184 58.100 -0.097 0.000 1.163 526 Y CB -0.666 37.787 38.460 -0.012 0.000 0.974 526 Y HN 0.193 nan 8.280 nan 0.000 0.511 527 G N -0.259 108.548 108.800 0.012 0.000 2.446 527 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 527 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 527 G C 1.472 176.331 174.900 -0.068 0.000 1.168 527 G CA 1.095 46.181 45.100 -0.022 0.000 0.771 527 G HN 0.316 nan 8.290 nan 0.000 0.551 528 E N 0.336 120.410 120.200 -0.209 0.000 2.051 528 E HA -0.105 4.245 4.350 0.001 0.000 0.192 528 E C 2.300 178.875 176.600 -0.042 0.000 0.991 528 E CA 0.861 57.141 56.400 -0.200 0.000 0.799 528 E CB -0.344 29.118 29.700 -0.396 0.000 0.748 528 E HN 0.481 nan 8.360 nan 0.000 0.449 529 F N 0.890 120.839 119.950 -0.001 0.000 2.186 529 F HA -0.003 4.525 4.527 0.001 0.000 0.299 529 F C 2.489 178.307 175.800 0.030 0.000 1.090 529 F CA 0.576 58.579 58.000 0.005 0.000 1.307 529 F CB -1.232 37.773 39.000 0.008 0.000 1.019 529 F HN -0.032 nan 8.300 nan 0.000 0.489 530 A N 0.134 123.077 122.820 0.204 0.000 1.930 530 A HA -0.185 4.136 4.320 0.001 0.000 0.217 530 A C 2.297 179.931 177.584 0.084 0.000 1.175 530 A CA 1.692 53.805 52.037 0.127 0.000 0.627 530 A CB -0.678 18.379 19.000 0.096 0.000 0.815 530 A HN 0.255 nan 8.150 nan 0.000 0.443 531 R N -0.513 120.029 120.500 0.070 0.000 2.096 531 R HA -0.015 4.326 4.340 0.001 0.000 0.235 531 R C 2.009 178.351 176.300 0.071 0.000 1.127 531 R CA 1.985 58.118 56.100 0.054 0.000 0.968 531 R CB -0.560 29.763 30.300 0.038 0.000 0.861 531 R HN 0.534 nan 8.270 nan 0.000 0.440 532 M N -0.064 119.597 119.600 0.100 0.000 2.080 532 M HA -0.177 4.304 4.480 0.001 0.000 0.260 532 M C 2.274 178.605 176.300 0.052 0.000 1.068 532 M CA 2.262 57.616 55.300 0.089 0.000 1.109 532 M CB -0.307 32.338 32.600 0.075 0.000 1.342 532 M HN 0.286 nan 8.290 nan 0.000 0.405 533 E N 0.239 120.470 120.200 0.050 0.000 2.072 533 E HA -0.242 4.109 4.350 0.001 0.000 0.191 533 E C 1.922 178.528 176.600 0.010 0.000 0.985 533 E CA 1.258 57.672 56.400 0.023 0.000 0.801 533 E CB 0.001 29.722 29.700 0.034 0.000 0.750 533 E HN 0.498 nan 8.360 nan 0.000 0.452 534 E N 0.016 120.229 120.200 0.021 0.000 2.051 534 E HA -0.219 4.132 4.350 0.001 0.000 0.192 534 E C 1.990 178.589 176.600 -0.002 0.000 0.991 534 E CA 1.019 57.424 56.400 0.008 0.000 0.799 534 E CB -0.170 29.539 29.700 0.015 0.000 0.748 534 E HN 0.324 nan 8.360 nan 0.000 0.449 535 A N 0.743 123.569 122.820 0.011 0.000 1.883 535 A HA -0.231 4.089 4.320 0.001 0.000 0.217 535 A C 2.539 180.102 177.584 -0.035 0.000 1.186 535 A CA 1.667 53.707 52.037 0.005 0.000 0.624 535 A CB -1.068 17.959 19.000 0.046 0.000 0.822 535 A HN 0.541 nan 8.150 nan 0.000 0.444 536 C N -0.388 118.884 119.300 -0.046 0.000 2.429 536 C HA -0.083 4.377 4.460 0.001 0.000 0.277 536 C C 2.668 177.583 174.990 -0.124 0.000 1.262 536 C CA 1.049 59.988 59.018 -0.132 0.000 1.733 536 C CB -1.517 26.151 27.740 -0.120 0.000 2.010 536 C HN 0.630 nan 8.230 nan 0.000 0.483 537 N N 1.196 119.852 118.700 -0.073 0.000 2.166 537 N HA -0.110 4.631 4.740 0.001 0.000 0.186 537 N C 1.375 176.848 175.510 -0.061 0.000 1.019 537 N CA 1.319 54.332 53.050 -0.062 0.000 0.856 537 N CB -0.701 37.764 38.487 -0.038 0.000 0.993 537 N HN 0.597 nan 8.380 nan 0.000 0.426 538 N N 0.426 119.094 118.700 -0.054 0.000 2.120 538 N HA 0.009 4.749 4.740 0.001 0.000 0.188 538 N C 1.754 177.227 175.510 -0.063 0.000 1.024 538 N CA 0.641 53.663 53.050 -0.048 0.000 0.852 538 N CB -0.028 38.439 38.487 -0.035 0.000 1.003 538 N HN 0.161 nan 8.380 nan 0.000 0.424 539 L N 0.482 121.647 121.223 -0.096 0.000 2.093 539 L HA -0.103 4.237 4.340 0.001 0.000 0.208 539 L C 2.085 178.882 176.870 -0.122 0.000 1.085 539 L CA 1.027 55.793 54.840 -0.124 0.000 0.755 539 L CB -0.259 41.674 42.059 -0.211 0.000 0.904 539 L HN 0.130 nan 8.230 nan 0.000 0.435 540 K N 0.128 120.450 120.400 -0.131 0.000 2.103 540 K HA -0.176 4.145 4.320 0.001 0.000 0.207 540 K C 2.149 178.707 176.600 -0.070 0.000 1.048 540 K CA 1.541 57.764 56.287 -0.107 0.000 0.930 540 K CB -0.217 32.222 32.500 -0.101 0.000 0.716 540 K HN 0.308 nan 8.250 nan 0.000 0.444 541 A N 1.002 123.787 122.820 -0.059 0.000 1.975 541 A HA -0.038 4.283 4.320 0.001 0.000 0.215 541 A C 1.524 179.088 177.584 -0.035 0.000 1.170 541 A CA 1.077 53.089 52.037 -0.042 0.000 0.656 541 A CB 0.026 19.004 19.000 -0.036 0.000 0.821 541 A HN 0.217 nan 8.150 nan 0.000 0.449 542 N N -1.151 117.528 118.700 -0.035 0.000 2.257 542 N HA 0.146 4.886 4.740 0.001 0.000 0.200 542 N C -0.429 175.075 175.510 -0.010 0.000 1.163 542 N CA -0.199 52.839 53.050 -0.021 0.000 0.891 542 N CB 0.277 38.754 38.487 -0.015 0.000 1.067 542 N HN 0.223 nan 8.380 nan 0.000 0.497 543 L N 3.955 125.169 121.223 -0.015 0.000 2.485 543 L HA 0.187 4.528 4.340 0.001 0.000 0.275 543 L C -1.707 175.161 176.870 -0.003 0.000 1.207 543 L CA -1.322 53.524 54.840 0.009 0.000 0.855 543 L CB -0.268 41.783 42.059 -0.012 0.000 1.114 543 L HN 0.061 nan 8.230 nan 0.000 0.485 544 P HA 0.027 nan 4.420 nan 0.000 0.272 544 P C 0.367 177.656 177.300 -0.018 0.000 1.230 544 P CA -0.399 62.692 63.100 -0.016 0.000 0.788 544 P CB 0.567 32.251 31.700 -0.028 0.000 0.949 545 E N 0.913 121.099 120.200 -0.024 0.000 2.130 545 E HA -0.188 4.162 4.350 0.001 0.000 0.196 545 E C 1.597 178.184 176.600 -0.022 0.000 0.998 545 E CA 1.209 57.595 56.400 -0.023 0.000 0.806 545 E CB -0.103 29.584 29.700 -0.021 0.000 0.738 545 E HN 0.153 nan 8.360 nan 0.000 0.459 546 V N 0.361 120.256 119.914 -0.030 0.000 2.407 546 V HA -0.240 3.881 4.120 0.001 0.000 0.248 546 V C 2.099 178.176 176.094 -0.028 0.000 1.055 546 V CA 2.154 64.430 62.300 -0.039 0.000 1.049 546 V CB -0.281 31.502 31.823 -0.067 0.000 0.662 546 V HN 0.481 nan 8.190 nan 0.000 0.455 547 A N -0.922 121.892 122.820 -0.011 0.000 1.887 547 A HA 0.017 4.338 4.320 0.001 0.000 0.212 547 A C 2.008 179.587 177.584 -0.008 0.000 1.198 547 A CA 1.260 53.307 52.037 0.017 0.000 0.628 547 A CB -0.674 18.379 19.000 0.087 0.000 0.847 547 A HN 0.448 nan 8.150 nan 0.000 0.449 548 L N 1.280 122.491 121.223 -0.021 0.000 2.043 548 L HA -0.235 4.106 4.340 0.001 0.000 0.212 548 L C 2.519 179.366 176.870 -0.039 0.000 1.075 548 L CA 2.679 57.492 54.840 -0.044 0.000 0.752 548 L CB -0.709 41.323 42.059 -0.044 0.000 0.891 548 L HN 0.726 nan 8.230 nan 0.000 0.432 549 E N -1.403 118.784 120.200 -0.022 0.000 2.333 549 E HA -0.226 4.124 4.350 0.001 0.000 0.198 549 E C 1.534 178.132 176.600 -0.003 0.000 1.007 549 E CA 1.369 57.765 56.400 -0.007 0.000 0.845 549 E CB -0.285 29.419 29.700 0.007 0.000 0.766 549 E HN 0.661 nan 8.360 nan 0.000 0.507 550 E N 0.058 120.240 120.200 -0.031 0.000 2.190 550 E HA -0.022 4.329 4.350 0.001 0.000 0.191 550 E C 1.845 178.323 176.600 -0.203 0.000 0.978 550 E CA 1.079 57.403 56.400 -0.127 0.000 0.839 550 E CB 0.407 30.040 29.700 -0.111 0.000 0.787 550 E HN 0.565 nan 8.360 nan 0.000 0.473 551 C N -0.583 118.660 119.300 -0.095 0.000 3.491 551 C HA 0.322 4.783 4.460 0.001 0.000 0.298 551 C C 2.581 177.526 174.990 -0.075 0.000 1.424 551 C CA -0.066 58.924 59.018 -0.046 0.000 1.772 551 C CB -0.553 27.214 27.740 0.045 0.000 2.447 551 C HN 0.255 nan 8.230 nan 0.000 0.670 552 S N 2.255 117.909 115.700 -0.076 0.000 2.382 552 S HA -0.186 4.284 4.470 0.001 0.000 0.228 552 S C 1.962 176.527 174.600 -0.060 0.000 1.027 552 S CA 1.281 59.427 58.200 -0.090 0.000 0.991 552 S CB -0.601 62.560 63.200 -0.064 0.000 0.823 552 S HN 0.762 nan 8.310 nan 0.000 0.469 553 R N 0.741 121.235 120.500 -0.010 0.000 2.092 553 R HA 0.030 4.371 4.340 0.001 0.000 0.231 553 R C 2.650 178.966 176.300 0.027 0.000 1.119 553 R CA 1.609 57.724 56.100 0.025 0.000 0.970 553 R CB -0.321 30.033 30.300 0.090 0.000 0.864 553 R HN 0.459 nan 8.270 nan 0.000 0.440 554 Q N 0.424 120.253 119.800 0.048 0.000 2.172 554 Q HA -0.018 4.323 4.340 0.001 0.000 0.200 554 Q C 1.999 178.074 176.000 0.124 0.000 0.964 554 Q CA 0.951 56.834 55.803 0.133 0.000 0.855 554 Q CB -0.032 28.862 28.738 0.260 0.000 0.918 554 Q HN 0.288 nan 8.270 nan 0.000 0.444 555 L N 0.359 121.501 121.223 -0.135 0.000 2.012 555 L HA -0.241 4.100 4.340 0.001 0.000 0.210 555 L C 1.619 178.417 176.870 -0.120 0.000 1.073 555 L CA 1.237 55.891 54.840 -0.311 0.000 0.748 555 L CB -0.380 41.423 42.059 -0.426 0.000 0.891 555 L HN 0.201 nan 8.230 nan 0.000 0.431 556 D N -0.483 119.872 120.400 -0.075 0.000 2.144 556 D HA -0.204 4.436 4.640 0.001 0.000 0.199 556 D C 2.056 178.345 176.300 -0.018 0.000 0.984 556 D CA 1.043 55.018 54.000 -0.043 0.000 0.834 556 D CB 0.054 40.837 40.800 -0.029 0.000 0.955 556 D HN 0.297 nan 8.370 nan 0.000 0.465 557 E N 0.069 120.270 120.200 0.002 0.000 2.077 557 E HA -0.148 4.202 4.350 0.001 0.000 0.193 557 E C 1.918 178.522 176.600 0.008 0.000 0.989 557 E CA 0.657 57.064 56.400 0.011 0.000 0.800 557 E CB -0.271 29.443 29.700 0.023 0.000 0.746 557 E HN 0.119 nan 8.360 nan 0.000 0.452 558 L N 0.252 121.495 121.223 0.033 0.000 2.156 558 L HA 0.020 4.360 4.340 0.001 0.000 0.208 558 L C 2.029 178.880 176.870 -0.032 0.000 1.095 558 L CA 1.271 56.114 54.840 0.004 0.000 0.770 558 L CB -0.271 41.843 42.059 0.092 0.000 0.914 558 L HN 0.290 nan 8.230 nan 0.000 0.439 559 I N -1.200 119.356 120.570 -0.023 0.000 2.142 559 I HA -0.346 3.825 4.170 0.001 0.000 0.240 559 I C 2.237 178.339 176.117 -0.025 0.000 1.078 559 I CA 1.817 63.102 61.300 -0.025 0.000 1.343 559 I CB -0.649 37.333 38.000 -0.030 0.000 1.046 559 I HN 0.211 nan 8.210 nan 0.000 0.405 560 T N 1.277 115.817 114.554 -0.023 0.000 2.699 560 T HA -0.189 4.162 4.350 0.001 0.000 0.268 560 T C 1.893 176.571 174.700 -0.036 0.000 1.036 560 T CA 1.448 63.534 62.100 -0.023 0.000 1.147 560 T CB -0.326 68.532 68.868 -0.016 0.000 0.862 560 T HN 0.238 nan 8.240 nan 0.000 0.446 561 L N 0.452 121.647 121.223 -0.047 0.000 2.072 561 L HA -0.004 4.336 4.340 0.001 0.000 0.205 561 L C 3.070 179.865 176.870 -0.126 0.000 1.079 561 L CA 1.033 55.830 54.840 -0.072 0.000 0.752 561 L CB -0.696 41.322 42.059 -0.068 0.000 0.906 561 L HN 0.230 nan 8.230 nan 0.000 0.436 562 A N -0.236 122.516 122.820 -0.112 0.000 1.917 562 A HA -0.278 4.042 4.320 0.001 0.000 0.219 562 A C 2.210 179.748 177.584 -0.076 0.000 1.182 562 A CA 1.780 53.755 52.037 -0.103 0.000 0.633 562 A CB -0.484 18.515 19.000 -0.002 0.000 0.819 562 A HN 0.502 nan 8.150 nan 0.000 0.448 563 Q N -1.151 118.627 119.800 -0.037 0.000 2.172 563 Q HA -0.045 4.295 4.340 0.001 0.000 0.200 563 Q C 2.163 178.149 176.000 -0.023 0.000 0.964 563 Q CA 0.964 56.764 55.803 -0.005 0.000 0.855 563 Q CB -0.304 28.433 28.738 -0.001 0.000 0.918 563 Q HN 0.690 nan 8.270 nan 0.000 0.444 564 G N 0.736 109.502 108.800 -0.056 0.000 2.430 564 G HA2 -0.202 3.759 3.960 0.001 0.000 0.216 564 G HA3 -0.202 3.759 3.960 0.001 0.000 0.216 564 G C 0.859 175.707 174.900 -0.088 0.000 1.146 564 G CA 0.606 45.672 45.100 -0.057 0.000 0.793 564 G HN 0.195 nan 8.290 nan 0.000 0.537 565 D N 0.395 120.670 120.400 -0.210 0.000 2.144 565 D HA -0.066 4.575 4.640 0.001 0.000 0.200 565 D C 2.293 178.442 176.300 -0.252 0.000 0.978 565 D CA 0.668 54.405 54.000 -0.438 0.000 0.833 565 D CB -0.056 39.913 40.800 -1.385 0.000 0.961 565 D HN 0.204 nan 8.370 nan 0.000 0.470 566 K N 1.252 121.617 120.400 -0.059 0.000 2.026 566 K HA -0.074 4.247 4.320 0.001 0.000 0.208 566 K C 1.948 178.666 176.600 0.197 0.000 1.048 566 K CA 1.234 57.654 56.287 0.222 0.000 0.929 566 K CB -0.222 32.444 32.500 0.277 0.000 0.713 566 K HN 0.014 nan 8.250 nan 0.000 0.439 567 A N 0.917 123.798 122.820 0.101 0.000 1.940 567 A HA -0.147 4.173 4.320 0.001 0.000 0.219 567 A C 2.304 179.921 177.584 0.055 0.000 1.176 567 A CA 2.216 54.295 52.037 0.071 0.000 0.631 567 A CB -0.627 18.383 19.000 0.016 0.000 0.814 567 A HN 0.438 nan 8.150 nan 0.000 0.446 568 S N -0.143 115.577 115.700 0.033 0.000 2.368 568 S HA -0.111 4.360 4.470 0.001 0.000 0.225 568 S C 1.810 176.455 174.600 0.074 0.000 1.030 568 S CA 1.518 59.723 58.200 0.009 0.000 0.999 568 S CB -0.451 62.691 63.200 -0.097 0.000 0.844 568 S HN 0.533 nan 8.310 nan 0.000 0.459 569 L N 1.251 122.536 121.223 0.104 0.000 2.093 569 L HA -0.134 4.206 4.340 0.001 0.000 0.208 569 L C 2.089 179.043 176.870 0.139 0.000 1.085 569 L CA 1.048 55.902 54.840 0.022 0.000 0.755 569 L CB -0.712 41.107 42.059 -0.400 0.000 0.904 569 L HN 0.182 nan 8.230 nan 0.000 0.435 570 D N -0.126 120.407 120.400 0.222 0.000 2.149 570 D HA -0.206 4.435 4.640 0.001 0.000 0.198 570 D C 2.317 178.732 176.300 0.191 0.000 0.990 570 D CA 1.270 55.415 54.000 0.242 0.000 0.839 570 D CB -0.100 40.816 40.800 0.193 0.000 0.948 570 D HN 0.264 nan 8.370 nan 0.000 0.460 571 M N -0.151 119.544 119.600 0.158 0.000 2.080 571 M HA -0.156 4.325 4.480 0.001 0.000 0.260 571 M C 2.252 178.769 176.300 0.362 0.000 1.068 571 M CA 1.227 56.669 55.300 0.235 0.000 1.109 571 M CB -0.279 32.419 32.600 0.164 0.000 1.342 571 M HN 0.027 nan 8.290 nan 0.000 0.405 572 I N -0.579 120.160 120.570 0.282 0.000 2.127 572 I HA -0.279 3.892 4.170 0.001 0.000 0.241 572 I C 2.317 178.566 176.117 0.220 0.000 1.075 572 I CA 1.215 62.676 61.300 0.268 0.000 1.334 572 I CB -0.540 37.573 38.000 0.187 0.000 1.040 572 I HN 0.073 nan 8.210 nan 0.000 0.405 573 V N 1.083 121.118 119.914 0.202 0.000 2.407 573 V HA -0.303 3.818 4.120 0.001 0.000 0.248 573 V C 2.725 178.919 176.094 0.166 0.000 1.055 573 V CA 1.945 64.353 62.300 0.181 0.000 1.049 573 V CB -1.095 30.854 31.823 0.210 0.000 0.662 573 V HN 0.511 nan 8.190 nan 0.000 0.455 574 A N -0.808 122.131 122.820 0.199 0.000 1.908 574 A HA -0.291 4.029 4.320 0.001 0.000 0.218 574 A C 2.204 179.880 177.584 0.153 0.000 1.181 574 A CA 1.968 54.121 52.037 0.194 0.000 0.627 574 A CB -0.480 18.685 19.000 0.274 0.000 0.818 574 A HN 0.614 nan 8.150 nan 0.000 0.445 575 Q N -0.681 119.212 119.800 0.155 0.000 2.084 575 Q HA -0.108 4.233 4.340 0.001 0.000 0.202 575 Q C 2.117 178.150 176.000 0.055 0.000 0.978 575 Q CA 1.391 57.219 55.803 0.042 0.000 0.844 575 Q CB -0.312 28.442 28.738 0.026 0.000 0.898 575 Q HN 0.681 nan 8.270 nan 0.000 0.426 576 L N 0.825 122.106 121.223 0.096 0.000 2.083 576 L HA -0.184 4.157 4.340 0.001 0.000 0.209 576 L C 1.603 178.512 176.870 0.064 0.000 1.083 576 L CA 0.784 55.674 54.840 0.083 0.000 0.752 576 L CB -0.221 41.898 42.059 0.099 0.000 0.899 576 L HN 0.200 nan 8.230 nan 0.000 0.433 577 N N 0.124 118.866 118.700 0.071 0.000 2.398 577 N HA -0.040 4.701 4.740 0.001 0.000 0.188 577 N C -0.156 175.381 175.510 0.045 0.000 1.122 577 N CA 0.181 53.266 53.050 0.058 0.000 0.866 577 N CB 0.110 38.638 38.487 0.067 0.000 0.970 577 N HN 0.247 nan 8.380 nan 0.000 0.462 578 E N 0.705 120.928 120.200 0.037 0.000 2.269 578 E HA -0.209 4.142 4.350 0.001 0.000 0.223 578 E C -0.846 175.773 176.600 0.032 0.000 1.244 578 E CA 0.359 56.770 56.400 0.018 0.000 0.713 578 E CB -1.160 28.544 29.700 0.007 0.000 1.178 578 E HN 0.242 nan 8.360 nan 0.000 0.370 579 D N 0.518 120.953 120.400 0.059 0.000 2.473 579 D HA 0.092 4.733 4.640 0.001 0.000 0.226 579 D C 1.210 177.576 176.300 0.110 0.000 1.089 579 D CA 0.294 54.338 54.000 0.074 0.000 0.883 579 D CB 0.907 41.755 40.800 0.080 0.000 1.029 579 D HN 0.170 nan 8.370 nan 0.000 0.517 580 T N 0.346 114.954 114.554 0.090 0.000 2.904 580 T HA -0.129 4.221 4.350 0.001 0.000 0.267 580 T C 1.457 176.250 174.700 0.155 0.000 1.059 580 T CA 0.860 63.037 62.100 0.128 0.000 1.137 580 T CB 0.018 68.930 68.868 0.073 0.000 0.879 580 T HN 0.454 nan 8.240 nan 0.000 0.467 581 E N 1.509 121.768 120.200 0.099 0.000 2.072 581 E HA -0.068 4.283 4.350 0.001 0.000 0.191 581 E C 2.440 179.085 176.600 0.075 0.000 0.985 581 E CA 1.015 57.460 56.400 0.075 0.000 0.801 581 E CB -0.460 29.270 29.700 0.051 0.000 0.750 581 E HN 0.636 nan 8.360 nan 0.000 0.452 582 A N 0.275 123.149 122.820 0.090 0.000 1.930 582 A HA -0.184 4.136 4.320 0.001 0.000 0.217 582 A C 2.027 179.675 177.584 0.106 0.000 1.175 582 A CA 1.366 53.455 52.037 0.088 0.000 0.627 582 A CB -0.871 18.186 19.000 0.094 0.000 0.815 582 A HN 0.581 nan 8.150 nan 0.000 0.443 583 Y N 0.848 121.174 120.300 0.044 0.000 2.114 583 Y HA -0.187 4.363 4.550 0.001 0.000 0.284 583 Y C 2.319 178.241 175.900 0.037 0.000 1.143 583 Y CA 2.188 60.316 58.100 0.047 0.000 1.135 583 Y CB -0.094 38.392 38.460 0.043 0.000 0.980 583 Y HN 0.318 nan 8.280 nan 0.000 0.499 584 E N -0.438 119.754 120.200 -0.012 0.000 2.106 584 E HA -0.189 4.162 4.350 0.001 0.000 0.192 584 E C 2.451 178.983 176.600 -0.112 0.000 0.984 584 E CA 1.203 57.550 56.400 -0.088 0.000 0.806 584 E CB -0.570 29.156 29.700 0.043 0.000 0.750 584 E HN 0.463 nan 8.360 nan 0.000 0.458 585 S N 0.726 116.391 115.700 -0.058 0.000 2.355 585 S HA -0.100 4.371 4.470 0.001 0.000 0.222 585 S C 2.157 176.714 174.600 -0.071 0.000 1.031 585 S CA 1.353 59.526 58.200 -0.044 0.000 0.993 585 S CB -0.086 63.108 63.200 -0.009 0.000 0.859 585 S HN 0.260 nan 8.310 nan 0.000 0.453 586 A N 1.547 124.316 122.820 -0.085 0.000 1.902 586 A HA -0.111 4.209 4.320 0.001 0.000 0.217 586 A C 2.179 179.674 177.584 -0.150 0.000 1.181 586 A CA 1.936 53.923 52.037 -0.083 0.000 0.623 586 A CB -0.791 18.185 19.000 -0.040 0.000 0.818 586 A HN 0.674 nan 8.150 nan 0.000 0.443 587 K N -0.507 119.716 120.400 -0.295 0.000 2.032 587 K HA -0.211 4.110 4.320 0.001 0.000 0.209 587 K C 2.143 178.650 176.600 -0.156 0.000 1.048 587 K CA 1.580 57.687 56.287 -0.301 0.000 0.927 587 K CB -0.153 32.048 32.500 -0.499 0.000 0.712 587 K HN 0.482 nan 8.250 nan 0.000 0.441 588 E N 1.095 121.221 120.200 -0.123 0.000 2.077 588 E HA -0.189 4.162 4.350 0.001 0.000 0.193 588 E C 2.007 178.576 176.600 -0.053 0.000 0.989 588 E CA 1.329 57.686 56.400 -0.070 0.000 0.800 588 E CB -0.145 29.524 29.700 -0.051 0.000 0.746 588 E HN 0.406 nan 8.360 nan 0.000 0.452 589 I N 0.978 121.518 120.570 -0.051 0.000 2.142 589 I HA -0.285 3.886 4.170 0.001 0.000 0.240 589 I C 2.706 178.802 176.117 -0.036 0.000 1.078 589 I CA 1.209 62.489 61.300 -0.033 0.000 1.343 589 I CB -0.498 37.490 38.000 -0.020 0.000 1.046 589 I HN 0.074 nan 8.210 nan 0.000 0.405 590 A N 0.234 123.025 122.820 -0.048 0.000 1.883 590 A HA -0.324 3.997 4.320 0.001 0.000 0.217 590 A C 2.255 179.813 177.584 -0.044 0.000 1.186 590 A CA 2.236 54.245 52.037 -0.048 0.000 0.624 590 A CB -0.758 18.205 19.000 -0.061 0.000 0.822 590 A HN 0.442 nan 8.150 nan 0.000 0.444 591 Q N 0.221 119.992 119.800 -0.048 0.000 2.124 591 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 591 Q C 1.797 177.781 176.000 -0.027 0.000 0.977 591 Q CA 2.139 57.919 55.803 -0.037 0.000 0.850 591 Q CB -0.357 28.358 28.738 -0.039 0.000 0.901 591 Q HN 0.663 nan 8.270 nan 0.000 0.429 592 N N -0.223 118.461 118.700 -0.026 0.000 2.120 592 N HA -0.120 4.620 4.740 0.001 0.000 0.188 592 N C 1.339 176.839 175.510 -0.017 0.000 1.024 592 N CA 1.205 54.244 53.050 -0.019 0.000 0.852 592 N CB -0.094 38.382 38.487 -0.018 0.000 1.003 592 N HN 0.188 nan 8.380 nan 0.000 0.424 593 K N 0.768 121.156 120.400 -0.020 0.000 2.097 593 K HA -0.045 4.276 4.320 0.001 0.000 0.205 593 K C 1.982 178.571 176.600 -0.018 0.000 1.050 593 K CA 0.291 56.566 56.287 -0.019 0.000 0.938 593 K CB -0.712 31.773 32.500 -0.025 0.000 0.718 593 K HN 0.139 nan 8.250 nan 0.000 0.442 594 L N 2.324 123.536 121.223 -0.019 0.000 1.994 594 L HA -0.165 4.176 4.340 0.001 0.000 0.208 594 L C 1.597 178.462 176.870 -0.008 0.000 1.071 594 L CA 1.814 56.646 54.840 -0.013 0.000 0.745 594 L CB -0.800 41.249 42.059 -0.016 0.000 0.892 594 L HN 0.102 nan 8.230 nan 0.000 0.431 595 N N -0.763 117.932 118.700 -0.009 0.000 2.149 595 N HA -0.194 4.547 4.740 0.001 0.000 0.188 595 N C 1.926 177.435 175.510 -0.001 0.000 1.019 595 N CA 1.822 54.869 53.050 -0.004 0.000 0.857 595 N CB -0.734 37.750 38.487 -0.006 0.000 0.997 595 N HN 0.659 nan 8.380 nan 0.000 0.426 596 T N -0.851 113.701 114.554 -0.003 0.000 2.777 596 T HA 0.043 4.394 4.350 0.001 0.000 0.266 596 T C 1.956 176.657 174.700 0.001 0.000 1.040 596 T CA 1.390 63.489 62.100 -0.000 0.000 1.141 596 T CB -0.287 68.580 68.868 -0.002 0.000 0.868 596 T HN 0.153 nan 8.240 nan 0.000 0.444 597 A N 1.679 124.497 122.820 -0.003 0.000 1.883 597 A HA 0.098 4.418 4.320 0.001 0.000 0.217 597 A C 2.518 180.101 177.584 -0.003 0.000 1.186 597 A CA 1.697 53.731 52.037 -0.004 0.000 0.624 597 A CB -1.008 17.989 19.000 -0.005 0.000 0.822 597 A HN 0.597 nan 8.150 nan 0.000 0.444 598 L N -0.528 120.696 121.223 0.002 0.000 2.083 598 L HA -0.157 4.183 4.340 0.001 0.000 0.209 598 L C 2.761 179.635 176.870 0.007 0.000 1.083 598 L CA 1.516 56.359 54.840 0.006 0.000 0.752 598 L CB -0.410 41.654 42.059 0.009 0.000 0.899 598 L HN 0.339 nan 8.230 nan 0.000 0.433 599 S N -0.511 115.195 115.700 0.010 0.000 2.395 599 S HA -0.043 4.428 4.470 0.001 0.000 0.225 599 S C 1.091 175.708 174.600 0.027 0.000 1.027 599 S CA 0.508 58.719 58.200 0.018 0.000 0.965 599 S CB -0.107 63.103 63.200 0.016 0.000 0.812 599 S HN 0.548 nan 8.310 nan 0.000 0.482 600 S N 1.612 117.326 115.700 0.023 0.000 2.573 600 S HA 0.166 4.636 4.470 0.001 0.000 0.277 600 S C 0.656 175.288 174.600 0.053 0.000 1.346 600 S CA -0.574 57.654 58.200 0.046 0.000 1.034 600 S CB 0.079 63.298 63.200 0.032 0.000 0.879 600 S HN 0.320 nan 8.310 nan 0.000 0.528 601 F N 2.283 122.206 119.950 -0.045 0.000 2.171 601 F HA 0.123 4.651 4.527 0.001 0.000 0.300 601 F C 1.363 177.103 175.800 -0.100 0.000 1.090 601 F CA 0.816 58.773 58.000 -0.071 0.000 1.293 601 F CB -0.842 38.124 39.000 -0.057 0.000 1.013 601 F HN 0.794 nan 8.300 nan 0.000 0.486 602 A N 0.923 123.658 122.820 -0.141 0.000 2.445 602 A HA 0.492 4.812 4.320 0.001 0.000 0.242 602 A C -0.572 176.866 177.584 -0.243 0.000 1.075 602 A CA -0.115 51.788 52.037 -0.222 0.000 0.777 602 A CB 0.204 19.192 19.000 -0.020 0.000 1.013 602 A HN 0.118 nan 8.150 nan 0.000 0.493 603 V N 3.008 122.766 119.914 -0.260 0.000 2.760 603 V HA 0.682 4.803 4.120 0.001 0.000 0.309 603 V C -0.309 175.751 176.094 -0.056 0.000 1.077 603 V CA -0.328 61.878 62.300 -0.157 0.000 0.910 603 V CB 1.551 33.237 31.823 -0.228 0.000 1.008 603 V HN 0.878 nan 8.190 nan 0.000 0.424 604 I N 2.482 123.052 120.570 0.001 0.000 2.842 604 I HA 0.432 4.603 4.170 0.001 0.000 0.297 604 I C 0.421 176.568 176.117 0.051 0.000 1.380 604 I CA -0.079 61.235 61.300 0.023 0.000 1.018 604 I CB 2.298 40.318 38.000 0.033 0.000 1.311 604 I HN 0.776 nan 8.210 nan 0.000 0.439 605 S N 2.885 118.630 115.700 0.075 0.000 3.581 605 S HA -0.188 4.283 4.470 0.001 0.000 0.354 605 S C 1.026 175.681 174.600 0.091 0.000 1.059 605 S CA 1.566 59.839 58.200 0.121 0.000 1.060 605 S CB -0.819 62.517 63.200 0.227 0.000 0.908 605 S HN 0.835 nan 8.310 nan 0.000 0.475 606 E N 1.086 121.327 120.200 0.068 0.000 2.070 606 E HA -0.145 4.205 4.350 0.001 0.000 0.197 606 E C 1.967 178.603 176.600 0.061 0.000 1.004 606 E CA 1.602 58.038 56.400 0.061 0.000 0.805 606 E CB -0.037 29.697 29.700 0.056 0.000 0.744 606 E HN 0.475 nan 8.360 nan 0.000 0.451 607 K N 0.106 120.537 120.400 0.051 0.000 2.459 607 K HA 0.072 4.392 4.320 0.001 0.000 0.193 607 K C 1.260 177.912 176.600 0.088 0.000 1.030 607 K CA 0.356 56.675 56.287 0.054 0.000 1.026 607 K CB 0.587 33.102 32.500 0.024 0.000 0.809 607 K HN 0.083 nan 8.250 nan 0.000 0.504 608 V N -0.396 119.582 119.914 0.106 0.000 4.233 608 V HA 0.140 4.261 4.120 0.001 0.000 0.183 608 V C 1.934 178.135 176.094 0.177 0.000 1.097 608 V CA 0.762 63.143 62.300 0.135 0.000 1.385 608 V CB -0.721 31.162 31.823 0.100 0.000 1.805 608 V HN 0.070 nan 8.190 nan 0.000 0.496 609 A N -0.486 122.438 122.820 0.174 0.000 1.933 609 A HA -0.270 4.050 4.320 0.001 0.000 0.218 609 A C 2.121 179.753 177.584 0.080 0.000 1.175 609 A CA 2.488 54.579 52.037 0.090 0.000 0.628 609 A CB -0.569 18.431 19.000 -0.000 0.000 0.814 609 A HN 0.668 nan 8.150 nan 0.000 0.444 610 Q N -0.764 119.087 119.800 0.084 0.000 2.008 610 Q HA -0.120 4.220 4.340 0.001 0.000 0.196 610 Q C 2.338 178.392 176.000 0.091 0.000 0.973 610 Q CA 1.682 57.523 55.803 0.064 0.000 0.826 610 Q CB -0.275 28.493 28.738 0.051 0.000 0.894 610 Q HN 0.575 nan 8.270 nan 0.000 0.439 611 S N -0.291 115.478 115.700 0.115 0.000 2.399 611 S HA -0.160 4.310 4.470 0.001 0.000 0.231 611 S C 1.641 176.351 174.600 0.182 0.000 1.022 611 S CA 0.948 59.219 58.200 0.118 0.000 0.983 611 S CB -0.514 62.754 63.200 0.112 0.000 0.803 611 S HN 0.530 nan 8.310 nan 0.000 0.480 612 F N 2.207 122.211 119.950 0.091 0.000 2.161 612 F HA -0.058 4.470 4.527 0.001 0.000 0.300 612 F C 1.696 177.576 175.800 0.133 0.000 1.089 612 F CA 1.426 59.522 58.000 0.160 0.000 1.282 612 F CB -0.403 38.656 39.000 0.099 0.000 1.010 612 F HN 0.252 nan 8.300 nan 0.000 0.485 613 I N -0.292 120.296 120.570 0.030 0.000 2.179 613 I HA -0.307 3.864 4.170 0.001 0.000 0.242 613 I C 2.424 178.485 176.117 -0.095 0.000 1.088 613 I CA 1.543 62.795 61.300 -0.079 0.000 1.357 613 I CB -0.694 37.289 38.000 -0.029 0.000 1.051 613 I HN 0.160 nan 8.210 nan 0.000 0.409 614 Q N 1.364 121.135 119.800 -0.049 0.000 2.084 614 Q HA -0.221 4.119 4.340 0.001 0.000 0.202 614 Q C 1.919 177.852 176.000 -0.112 0.000 0.978 614 Q CA 1.775 57.543 55.803 -0.059 0.000 0.844 614 Q CB -0.135 28.585 28.738 -0.030 0.000 0.898 614 Q HN 0.488 nan 8.270 nan 0.000 0.426 615 E N -0.505 119.609 120.200 -0.143 0.000 2.058 615 E HA -0.192 4.159 4.350 0.001 0.000 0.194 615 E C 1.885 178.214 176.600 -0.452 0.000 0.997 615 E CA 1.165 57.373 56.400 -0.320 0.000 0.801 615 E CB -0.288 29.251 29.700 -0.268 0.000 0.746 615 E HN 0.473 nan 8.360 nan 0.000 0.450 616 A N 1.075 123.712 122.820 -0.305 0.000 1.902 616 A HA -0.151 4.170 4.320 0.001 0.000 0.217 616 A C 2.210 179.782 177.584 -0.020 0.000 1.181 616 A CA 1.009 52.973 52.037 -0.120 0.000 0.623 616 A CB -0.668 18.229 19.000 -0.171 0.000 0.818 616 A HN 0.136 nan 8.150 nan 0.000 0.443 617 L N -0.342 120.845 121.223 -0.060 0.000 2.042 617 L HA -0.194 4.146 4.340 0.001 0.000 0.210 617 L C 2.650 179.526 176.870 0.009 0.000 1.076 617 L CA 1.714 56.544 54.840 -0.016 0.000 0.749 617 L CB -0.264 41.771 42.059 -0.041 0.000 0.893 617 L HN 0.330 nan 8.230 nan 0.000 0.432 618 S N -1.344 114.328 115.700 -0.045 0.000 2.496 618 S HA 0.010 4.481 4.470 0.001 0.000 0.224 618 S C 0.506 175.074 174.600 -0.052 0.000 0.996 618 S CA -0.157 58.011 58.200 -0.055 0.000 0.927 618 S CB -0.155 62.990 63.200 -0.091 0.000 0.774 618 S HN 0.177 nan 8.310 nan 0.000 0.524 619 F N 3.042 122.859 119.950 -0.222 0.000 2.459 619 F HA 0.359 4.887 4.527 0.001 0.000 0.346 619 F C -0.048 175.713 175.800 -0.066 0.000 1.128 619 F CA -0.394 57.475 58.000 -0.217 0.000 1.268 619 F CB 0.594 39.374 39.000 -0.367 0.000 1.161 619 F HN -0.102 nan 8.300 nan 0.000 0.583 620 D N 6.079 125.991 120.400 -0.815 0.000 2.375 620 D HA 0.101 4.742 4.640 0.001 0.000 0.241 620 D C 0.355 176.228 176.300 -0.712 0.000 1.361 620 D CA -0.330 53.355 54.000 -0.524 0.000 0.995 620 D CB 0.930 41.543 40.800 -0.312 0.000 1.312 620 D HN 0.671 nan 8.370 nan 0.000 0.576 621 L N 2.655 123.602 121.223 -0.459 0.000 2.201 621 L HA -0.119 4.222 4.340 0.001 0.000 0.212 621 L C 2.000 178.776 176.870 -0.157 0.000 1.105 621 L CA 1.805 56.514 54.840 -0.218 0.000 0.775 621 L CB -0.112 42.010 42.059 0.106 0.000 0.913 621 L HN 0.532 nan 8.230 nan 0.000 0.440 622 T N -3.100 111.352 114.554 -0.170 0.000 3.051 622 T HA -0.118 4.233 4.350 0.001 0.000 0.269 622 T C 1.551 176.182 174.700 -0.116 0.000 1.127 622 T CA 0.663 62.690 62.100 -0.122 0.000 1.107 622 T CB -0.282 68.510 68.868 -0.126 0.000 0.898 622 T HN 0.381 nan 8.240 nan 0.000 0.517 623 L N 0.016 121.143 121.223 -0.159 0.000 2.585 623 L HA 0.343 4.683 4.340 0.001 0.000 0.226 623 L C 0.792 177.602 176.870 -0.100 0.000 1.113 623 L CA -0.398 54.364 54.840 -0.130 0.000 0.876 623 L CB -0.259 41.705 42.059 -0.158 0.000 1.072 623 L HN 0.210 nan 8.230 nan 0.000 0.468 624 I N 0.000 120.514 120.570 -0.093 0.000 2.984 624 I HA 0.000 4.171 4.170 0.001 0.000 0.288 624 I CA 0.000 61.282 61.300 -0.030 0.000 1.566 624 I CB 0.000 38.016 38.000 0.026 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494