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 1s2y_1_A DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLIGLTTI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.523 175.510 0.021 0.000 1.280 3 N CA 0.000 52.954 53.050 -0.160 0.000 0.885 3 N CB 0.000 38.417 38.487 -0.116 0.000 1.341 4 K N 1.566 121.985 120.400 0.031 0.000 2.183 4 K HA 0.528 4.848 4.320 0.000 0.000 0.274 4 K C -0.170 176.472 176.600 0.069 0.000 1.009 4 K CA -0.391 55.924 56.287 0.048 0.000 0.888 4 K CB 1.844 34.357 32.500 0.022 0.000 1.078 4 K HN 0.561 nan 8.250 nan 0.000 0.459 5 C N -0.967 118.377 119.300 0.074 0.000 3.314 5 C HA 0.371 4.831 4.460 0.000 0.000 0.344 5 C C 0.775 175.802 174.990 0.062 0.000 1.461 5 C CA -0.823 58.238 59.018 0.071 0.000 1.249 5 C CB 0.874 28.666 27.740 0.088 0.000 1.632 5 C HN 0.791 nan 8.230 nan 0.000 0.452 6 D N 0.304 120.743 120.400 0.066 0.000 2.120 6 D HA 0.108 4.748 4.640 0.000 0.000 0.202 6 D C 0.357 176.724 176.300 0.112 0.000 0.972 6 D CA 1.736 55.786 54.000 0.082 0.000 0.837 6 D CB 0.211 41.058 40.800 0.077 0.000 0.989 6 D HN 0.486 nan 8.370 nan 0.000 0.469 7 V N 1.458 121.426 119.914 0.090 0.000 2.623 7 V HA 0.241 4.361 4.120 0.000 0.000 0.304 7 V C -0.134 175.990 176.094 0.050 0.000 1.054 7 V CA -0.832 61.522 62.300 0.090 0.000 0.882 7 V CB 2.773 34.636 31.823 0.066 0.000 1.002 7 V HN -0.238 nan 8.190 nan 0.000 0.424 8 V N 5.364 125.303 119.914 0.041 0.000 2.432 8 V HA 0.366 4.486 4.120 0.000 0.000 0.275 8 V C -0.017 176.069 176.094 -0.013 0.000 1.043 8 V CA -0.358 61.937 62.300 -0.009 0.000 0.925 8 V CB 1.801 33.612 31.823 -0.020 0.000 0.985 8 V HN 0.638 nan 8.190 nan 0.000 0.466 9 V N 6.418 126.310 119.914 -0.037 0.000 2.370 9 V HA 0.307 4.427 4.120 0.000 0.000 0.279 9 V C 0.041 176.109 176.094 -0.043 0.000 1.029 9 V CA -0.559 61.725 62.300 -0.026 0.000 0.870 9 V CB 1.709 33.520 31.823 -0.020 0.000 0.984 9 V HN 0.602 nan 8.190 nan 0.000 0.451 10 V N 4.726 124.629 119.914 -0.019 0.000 2.368 10 V HA 0.783 4.903 4.120 0.000 0.000 0.266 10 V C 0.720 176.820 176.094 0.010 0.000 1.045 10 V CA 0.465 62.756 62.300 -0.015 0.000 0.899 10 V CB 0.381 32.213 31.823 0.014 0.000 1.006 10 V HN 1.270 nan 8.190 nan 0.000 0.470 11 G N 3.687 112.481 108.800 -0.011 0.000 3.225 11 G HA2 0.186 4.146 3.960 0.000 0.000 0.686 11 G HA3 0.186 4.146 3.960 0.000 0.000 0.686 11 G C 0.083 174.986 174.900 0.005 0.000 1.105 11 G CA -0.506 44.599 45.100 0.010 0.000 0.831 11 G HN 1.236 nan 8.290 nan 0.000 0.578 12 G N 0.800 109.601 108.800 0.002 0.000 4.098 12 G HA2 0.684 4.644 3.960 0.000 0.000 0.300 12 G HA3 0.684 4.644 3.960 0.000 0.000 0.300 12 G C 0.877 175.794 174.900 0.028 0.000 1.187 12 G CA 0.938 46.040 45.100 0.004 0.000 0.964 12 G HN 1.305 nan 8.290 nan 0.000 0.559 13 G N -0.140 108.688 108.800 0.047 0.000 2.535 13 G HA2 0.351 4.311 3.960 0.000 0.000 0.282 13 G HA3 0.351 4.311 3.960 0.000 0.000 0.282 13 G C 1.175 176.104 174.900 0.048 0.000 1.350 13 G CA -0.751 44.387 45.100 0.063 0.000 1.039 13 G HN 0.133 nan 8.290 nan 0.000 0.509 14 I N -0.570 120.031 120.570 0.052 0.000 2.208 14 I HA -0.223 3.947 4.170 0.000 0.000 0.245 14 I C 3.035 179.177 176.117 0.043 0.000 1.097 14 I CA 1.674 62.998 61.300 0.039 0.000 1.363 14 I CB -0.079 37.947 38.000 0.045 0.000 1.051 14 I HN 0.480 nan 8.210 nan 0.000 0.413 15 S N 0.469 116.207 115.700 0.063 0.000 2.356 15 S HA -0.133 4.337 4.470 0.000 0.000 0.223 15 S C 2.108 176.736 174.600 0.048 0.000 1.032 15 S CA 1.633 59.873 58.200 0.067 0.000 1.005 15 S CB -0.615 62.643 63.200 0.097 0.000 0.867 15 S HN 0.573 nan 8.310 nan 0.000 0.449 16 G N 1.586 110.413 108.800 0.045 0.000 2.421 16 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 16 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 16 G C 1.456 176.362 174.900 0.009 0.000 1.171 16 G CA 1.037 46.153 45.100 0.027 0.000 0.775 16 G HN 0.399 nan 8.290 nan 0.000 0.543 17 M N 1.258 120.862 119.600 0.007 0.000 2.117 17 M HA 0.065 4.545 4.480 0.000 0.000 0.262 17 M C 2.994 179.289 176.300 -0.008 0.000 1.065 17 M CA 1.212 56.507 55.300 -0.008 0.000 1.114 17 M CB -1.369 31.224 32.600 -0.012 0.000 1.361 17 M HN 0.315 nan 8.290 nan 0.000 0.408 18 A N 0.150 122.971 122.820 0.002 0.000 1.933 18 A HA 0.027 4.347 4.320 0.000 0.000 0.218 18 A C 2.454 180.038 177.584 -0.000 0.000 1.175 18 A CA 2.050 54.087 52.037 0.002 0.000 0.628 18 A CB -0.867 18.139 19.000 0.011 0.000 0.814 18 A HN 0.470 nan 8.150 nan 0.000 0.444 19 A N -0.062 122.758 122.820 0.000 0.000 1.877 19 A HA 0.168 4.488 4.320 0.000 0.000 0.216 19 A C 2.527 180.107 177.584 -0.007 0.000 1.186 19 A CA 2.112 54.142 52.037 -0.010 0.000 0.620 19 A CB -1.081 17.914 19.000 -0.007 0.000 0.822 19 A HN 1.052 nan 8.150 nan 0.000 0.443 20 A N -0.318 122.500 122.820 -0.003 0.000 1.902 20 A HA -0.176 4.144 4.320 0.000 0.000 0.217 20 A C 2.155 179.756 177.584 0.029 0.000 1.181 20 A CA 2.019 54.058 52.037 0.004 0.000 0.623 20 A CB -0.472 18.518 19.000 -0.016 0.000 0.818 20 A HN 0.553 nan 8.150 nan 0.000 0.443 21 K N -0.489 119.920 120.400 0.015 0.000 2.026 21 K HA -0.108 4.212 4.320 0.000 0.000 0.208 21 K C 2.011 178.650 176.600 0.064 0.000 1.048 21 K CA 1.519 57.830 56.287 0.039 0.000 0.929 21 K CB -0.313 32.192 32.500 0.009 0.000 0.713 21 K HN 0.458 nan 8.250 nan 0.000 0.439 22 L N 1.190 122.428 121.223 0.025 0.000 2.017 22 L HA -0.199 4.141 4.340 0.000 0.000 0.208 22 L C 2.230 179.105 176.870 0.007 0.000 1.073 22 L CA 1.240 56.085 54.840 0.008 0.000 0.745 22 L CB -0.161 41.888 42.059 -0.017 0.000 0.894 22 L HN 0.240 nan 8.230 nan 0.000 0.432 23 L N -1.158 120.071 121.223 0.010 0.000 2.093 23 L HA -0.262 4.078 4.340 0.000 0.000 0.208 23 L C 2.581 179.470 176.870 0.032 0.000 1.085 23 L CA 1.443 56.285 54.840 0.003 0.000 0.755 23 L CB -0.760 41.298 42.059 -0.003 0.000 0.904 23 L HN 0.417 nan 8.230 nan 0.000 0.435 24 H N 0.218 119.275 119.070 -0.022 0.000 2.321 24 H HA -0.185 4.371 4.556 -0.000 0.000 0.300 24 H C 1.802 177.121 175.328 -0.015 0.000 1.087 24 H CA 1.968 58.007 56.048 -0.015 0.000 1.319 24 H CB 0.039 29.793 29.762 -0.013 0.000 1.379 24 H HN 0.203 nan 8.280 nan 0.000 0.501 25 D N -0.520 119.873 120.400 -0.011 0.000 2.218 25 D HA -0.101 4.539 4.640 0.000 0.000 0.204 25 D C 1.924 178.171 176.300 -0.088 0.000 0.976 25 D CA 1.219 55.182 54.000 -0.061 0.000 0.853 25 D CB -0.243 40.562 40.800 0.008 0.000 0.939 25 D HN 0.321 nan 8.370 nan 0.000 0.481 26 S N -1.175 114.483 115.700 -0.070 0.000 2.561 26 S HA 0.217 4.687 4.470 0.000 0.000 0.225 26 S C 1.571 176.124 174.600 -0.078 0.000 0.977 26 S CA 0.674 58.836 58.200 -0.063 0.000 0.926 26 S CB 0.531 63.701 63.200 -0.049 0.000 0.769 26 S HN 0.466 nan 8.310 nan 0.000 0.533 27 G N 0.821 109.548 108.800 -0.121 0.000 2.144 27 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 27 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 27 G C -0.060 174.794 174.900 -0.078 0.000 0.988 27 G CA -0.360 44.669 45.100 -0.119 0.000 0.659 27 G HN 0.407 nan 8.290 nan 0.000 0.522 28 L N 0.589 121.779 121.223 -0.055 0.000 2.379 28 L HA 0.438 4.778 4.340 0.000 0.000 0.269 28 L C 0.101 176.984 176.870 0.022 0.000 1.084 28 L CA -1.084 53.750 54.840 -0.009 0.000 0.802 28 L CB 0.702 42.763 42.059 0.002 0.000 1.175 28 L HN 0.015 nan 8.230 nan 0.000 0.448 29 N N 2.118 120.843 118.700 0.042 0.000 2.406 29 N HA 0.277 5.017 4.740 0.000 0.000 0.251 29 N C -0.653 174.901 175.510 0.074 0.000 1.069 29 N CA -0.099 52.992 53.050 0.069 0.000 0.947 29 N CB 1.663 40.185 38.487 0.058 0.000 1.111 29 N HN 0.358 nan 8.380 nan 0.000 0.497 30 V N 0.075 120.042 119.914 0.088 0.000 2.715 30 V HA 0.722 4.842 4.120 0.000 0.000 0.310 30 V C -0.165 175.949 176.094 0.033 0.000 1.054 30 V CA -0.731 61.603 62.300 0.057 0.000 0.928 30 V CB 1.938 33.793 31.823 0.053 0.000 1.007 30 V HN 0.167 nan 8.190 nan 0.000 0.437 31 V N 3.957 123.872 119.914 0.003 0.000 2.604 31 V HA 0.567 4.687 4.120 0.000 0.000 0.305 31 V C -0.304 175.735 176.094 -0.092 0.000 1.043 31 V CA -0.561 61.712 62.300 -0.046 0.000 0.888 31 V CB 2.059 33.845 31.823 -0.062 0.000 0.995 31 V HN 0.838 nan 8.190 nan 0.000 0.429 32 V N 5.972 125.824 119.914 -0.104 0.000 2.370 32 V HA 0.455 4.575 4.120 0.000 0.000 0.283 32 V C -0.247 175.754 176.094 -0.155 0.000 1.023 32 V CA -0.437 61.800 62.300 -0.106 0.000 0.857 32 V CB 1.498 33.279 31.823 -0.069 0.000 0.985 32 V HN 0.612 nan 8.190 nan 0.000 0.443 33 L N 4.588 125.705 121.223 -0.177 0.000 2.262 33 L HA 0.605 4.945 4.340 0.000 0.000 0.288 33 L C -0.196 176.597 176.870 -0.128 0.000 1.035 33 L CA -0.354 54.366 54.840 -0.200 0.000 0.820 33 L CB 1.406 43.305 42.059 -0.268 0.000 1.204 33 L HN 0.604 nan 8.230 nan 0.000 0.424 34 E N 2.317 122.447 120.200 -0.117 0.000 2.176 34 E HA 0.481 4.831 4.350 0.000 0.000 0.267 34 E C 0.333 176.835 176.600 -0.162 0.000 0.893 34 E CA -0.337 55.996 56.400 -0.110 0.000 0.761 34 E CB 2.057 31.713 29.700 -0.073 0.000 1.133 34 E HN 0.550 nan 8.360 nan 0.000 0.409 35 A N 5.441 128.101 122.820 -0.267 0.000 1.933 35 A HA -0.045 4.275 4.320 0.000 0.000 0.218 35 A C 1.092 178.446 177.584 -0.384 0.000 1.175 35 A CA 1.040 52.779 52.037 -0.497 0.000 0.628 35 A CB -0.166 18.135 19.000 -1.165 0.000 0.814 35 A HN 0.592 nan 8.150 nan 0.000 0.444 36 R N -0.169 120.185 120.500 -0.243 0.000 2.546 36 R HA 0.253 4.593 4.340 0.000 0.000 0.266 36 R C 0.100 176.361 176.300 -0.065 0.000 1.086 36 R CA 0.118 56.150 56.100 -0.113 0.000 1.160 36 R CB 0.210 30.483 30.300 -0.046 0.000 1.138 36 R HN 0.447 nan 8.270 nan 0.000 0.567 37 D N 0.449 120.828 120.400 -0.035 0.000 2.323 37 D HA -0.037 4.603 4.640 0.000 0.000 0.239 37 D C -0.113 176.187 176.300 -0.000 0.000 1.129 37 D CA 0.127 54.117 54.000 -0.016 0.000 0.865 37 D CB -0.060 40.735 40.800 -0.007 0.000 0.913 37 D HN 0.424 nan 8.370 nan 0.000 0.517 38 R N -1.300 119.201 120.500 0.002 0.000 2.734 38 R HA 0.582 4.922 4.340 0.000 0.000 0.271 38 R C -0.684 175.635 176.300 0.032 0.000 1.021 38 R CA -1.120 55.000 56.100 0.033 0.000 0.893 38 R CB 1.150 31.493 30.300 0.071 0.000 1.244 38 R HN -0.097 nan 8.270 nan 0.000 0.464 39 V N -1.586 118.356 119.914 0.047 0.000 3.262 39 V HA 0.864 4.984 4.120 0.000 0.000 0.313 39 V C 0.940 177.089 176.094 0.093 0.000 1.070 39 V CA 0.435 62.764 62.300 0.047 0.000 1.049 39 V CB 0.783 32.620 31.823 0.023 0.000 1.157 39 V HN 1.193 nan 8.190 nan 0.000 0.454 40 G N -0.918 107.937 108.800 0.091 0.000 2.391 40 G HA2 0.164 4.124 3.960 0.000 0.000 0.204 40 G HA3 0.164 4.124 3.960 0.000 0.000 0.204 40 G C 1.594 176.584 174.900 0.149 0.000 1.012 40 G CA 0.768 45.943 45.100 0.125 0.000 0.651 40 G HN 2.595 nan 8.290 nan 0.000 0.494 41 G N 0.627 109.526 108.800 0.167 0.000 2.620 41 G HA2 -0.409 3.551 3.960 0.000 0.000 0.315 41 G HA3 -0.409 3.551 3.960 0.000 0.000 0.315 41 G C 0.955 176.015 174.900 0.266 0.000 1.179 41 G CA 1.493 46.708 45.100 0.192 0.000 0.971 41 G HN 1.187 nan 8.290 nan 0.000 0.544 42 R N 1.863 122.425 120.500 0.105 0.000 2.313 42 R HA 0.236 4.576 4.340 0.000 0.000 0.199 42 R C 0.960 177.152 176.300 -0.180 0.000 0.958 42 R CA 1.025 57.007 56.100 -0.196 0.000 1.047 42 R CB -0.098 30.055 30.300 -0.245 0.000 0.955 42 R HN 0.701 nan 8.270 nan 0.000 0.481 43 T N -2.378 112.230 114.554 0.091 0.000 2.824 43 T HA 0.368 4.718 4.350 0.000 0.000 0.280 43 T C -0.977 173.953 174.700 0.385 0.000 0.995 43 T CA -0.653 61.553 62.100 0.176 0.000 1.009 43 T CB 1.570 70.506 68.868 0.114 0.000 0.955 43 T HN 0.101 nan 8.240 nan 0.000 0.452 44 Y N 1.353 121.813 120.300 0.266 0.000 2.323 44 Y HA 0.438 4.988 4.550 0.000 0.000 0.322 44 Y C -1.086 174.931 175.900 0.194 0.000 1.133 44 Y CA -0.807 57.442 58.100 0.247 0.000 1.093 44 Y CB 1.670 40.326 38.460 0.326 0.000 1.203 44 Y HN 0.854 nan 8.280 nan 0.000 0.427 45 T N 7.944 122.322 114.554 -0.292 0.000 2.753 45 T HA 0.354 4.704 4.350 0.000 0.000 0.297 45 T C -0.647 173.690 174.700 -0.605 0.000 0.981 45 T CA -0.351 61.571 62.100 -0.297 0.000 0.956 45 T CB 0.286 69.094 68.868 -0.100 0.000 0.936 45 T HN 0.590 nan 8.240 nan 0.000 0.463 46 L N 4.601 125.488 121.223 -0.560 0.000 2.349 46 L HA 0.530 4.870 4.340 0.000 0.000 0.275 46 L C 0.016 176.806 176.870 -0.134 0.000 1.115 46 L CA 0.113 54.721 54.840 -0.386 0.000 0.820 46 L CB 0.396 42.347 42.059 -0.180 0.000 1.135 46 L HN 0.499 nan 8.230 nan 0.000 0.445 47 R N 3.524 123.974 120.500 -0.083 0.000 2.513 47 R HA 0.561 4.901 4.340 0.000 0.000 0.301 47 R C -1.207 175.074 176.300 -0.031 0.000 0.968 47 R CA -0.589 55.490 56.100 -0.035 0.000 0.872 47 R CB 1.259 31.549 30.300 -0.017 0.000 1.177 47 R HN 0.922 nan 8.270 nan 0.000 0.444 48 N N -0.803 117.864 118.700 -0.056 0.000 2.934 48 N HA 0.016 4.756 4.740 0.000 0.000 0.253 48 N C -0.058 175.397 175.510 -0.093 0.000 1.466 48 N CA -0.934 52.081 53.050 -0.060 0.000 0.858 48 N CB 0.772 39.228 38.487 -0.051 0.000 1.459 48 N HN 0.254 nan 8.380 nan 0.000 0.532 49 Q N -0.242 119.512 119.800 -0.076 0.000 2.167 49 Q HA -0.037 4.303 4.340 0.000 0.000 0.202 49 Q C 0.592 176.553 176.000 -0.065 0.000 0.970 49 Q CA 1.349 57.121 55.803 -0.050 0.000 0.855 49 Q CB 0.022 28.740 28.738 -0.033 0.000 0.911 49 Q HN 0.536 nan 8.270 nan 0.000 0.438 50 K N 0.080 120.349 120.400 -0.219 0.000 2.148 50 K HA -0.080 4.240 4.320 0.000 0.000 0.204 50 K C 2.016 178.413 176.600 -0.338 0.000 1.050 50 K CA 1.421 57.473 56.287 -0.391 0.000 0.942 50 K CB -0.027 31.884 32.500 -0.982 0.000 0.724 50 K HN 0.327 nan 8.250 nan 0.000 0.446 51 V N -2.697 116.982 119.914 -0.391 0.000 3.645 51 V HA 0.204 4.324 4.120 0.000 0.000 0.275 51 V C 1.439 177.133 176.094 -0.666 0.000 1.356 51 V CA 0.757 62.779 62.300 -0.463 0.000 1.051 51 V CB 0.165 31.748 31.823 -0.398 0.000 0.828 51 V HN 0.292 nan 8.190 nan 0.000 0.441 52 K N 0.556 120.639 120.400 -0.527 0.000 10.883 52 K HA -0.305 4.015 4.320 0.000 0.000 0.526 52 K C 0.147 176.643 176.600 -0.173 0.000 0.382 52 K CA 2.480 58.498 56.287 -0.448 0.000 1.943 52 K CB -1.507 30.484 32.500 -0.848 0.000 0.766 52 K HN 0.979 nan 8.250 nan 0.000 1.214 53 Y N -1.899 118.244 120.300 -0.262 0.000 2.571 53 Y HA 0.732 5.282 4.550 0.000 0.000 0.341 53 Y C -1.279 174.576 175.900 -0.076 0.000 1.076 53 Y CA -0.704 57.309 58.100 -0.144 0.000 1.029 53 Y CB 2.046 40.441 38.460 -0.110 0.000 1.308 53 Y HN 0.038 nan 8.280 nan 0.000 0.461 54 V N 2.416 122.386 119.914 0.093 0.000 2.817 54 V HA 0.360 4.480 4.120 0.000 0.000 0.303 54 V C -1.601 174.552 176.094 0.098 0.000 1.151 54 V CA -0.642 61.716 62.300 0.097 0.000 0.929 54 V CB 1.960 33.864 31.823 0.135 0.000 1.030 54 V HN 0.926 nan 8.190 nan 0.000 0.427 55 D N 5.542 126.012 120.400 0.117 0.000 2.343 55 D HA 0.296 4.936 4.640 0.000 0.000 0.255 55 D C 0.781 177.170 176.300 0.147 0.000 1.187 55 D CA 0.250 54.309 54.000 0.099 0.000 0.875 55 D CB 1.869 42.700 40.800 0.051 0.000 1.136 55 D HN 0.513 nan 8.370 nan 0.000 0.469 56 L N 1.434 122.805 121.223 0.246 0.000 2.616 56 L HA 0.239 4.579 4.340 0.000 0.000 0.229 56 L C 1.464 178.741 176.870 0.678 0.000 1.110 56 L CA 0.009 55.092 54.840 0.406 0.000 0.884 56 L CB 0.452 42.762 42.059 0.418 0.000 1.115 56 L HN 0.354 nan 8.230 nan 0.000 0.481 57 G N -0.767 108.343 108.800 0.516 0.000 3.286 57 G HA2 0.413 4.373 3.960 0.000 0.000 0.166 57 G HA3 0.413 4.373 3.960 0.000 0.000 0.166 57 G C -0.155 174.768 174.900 0.040 0.000 1.155 57 G CA -0.023 45.193 45.100 0.193 0.000 0.871 57 G HN 0.063 nan 8.290 nan 0.000 0.637 58 G N -0.575 108.177 108.800 -0.079 0.000 2.321 58 G HA2 0.370 4.330 3.960 0.000 0.000 0.237 58 G HA3 0.370 4.330 3.960 0.000 0.000 0.237 58 G C 0.499 175.378 174.900 -0.035 0.000 1.282 58 G CA 0.982 46.041 45.100 -0.068 0.000 0.886 58 G HN 0.850 nan 8.290 nan 0.000 0.528 59 S N 1.315 116.942 115.700 -0.121 0.000 3.552 59 S HA 0.174 4.644 4.470 0.000 0.000 0.251 59 S C 0.098 174.472 174.600 -0.377 0.000 1.119 59 S CA -0.342 57.694 58.200 -0.273 0.000 0.830 59 S CB -0.092 62.794 63.200 -0.523 0.000 0.946 59 S HN 0.489 nan 8.310 nan 0.000 0.470 60 Y N 3.077 123.325 120.300 -0.087 0.000 2.359 60 Y HA 0.495 5.045 4.550 -0.000 0.000 0.330 60 Y C 0.303 176.062 175.900 -0.235 0.000 1.143 60 Y CA -0.307 57.691 58.100 -0.169 0.000 1.318 60 Y CB 0.984 39.380 38.460 -0.107 0.000 1.234 60 Y HN 0.133 nan 8.280 nan 0.000 0.522 61 V N -0.022 119.757 119.914 -0.225 0.000 3.040 61 V HA 1.098 5.218 4.120 0.000 0.000 0.312 61 V C -0.259 175.635 176.094 -0.334 0.000 1.115 61 V CA -0.536 61.556 62.300 -0.347 0.000 0.998 61 V CB 1.674 33.206 31.823 -0.485 0.000 1.042 61 V HN 0.923 nan 8.190 nan 0.000 0.433 62 G N 0.669 109.226 108.800 -0.405 0.000 2.663 62 G HA2 0.746 4.706 3.960 0.000 0.000 0.299 62 G HA3 0.746 4.706 3.960 0.000 0.000 0.299 62 G C -3.386 171.342 174.900 -0.286 0.000 1.372 62 G CA -1.278 43.636 45.100 -0.309 0.000 0.781 62 G HN 0.721 nan 8.290 nan 0.000 0.491 63 P HA 0.101 nan 4.420 nan 0.000 0.266 63 P C 0.777 178.055 177.300 -0.037 0.000 1.193 63 P CA 1.927 64.979 63.100 -0.081 0.000 0.770 63 P CB 0.910 32.594 31.700 -0.028 0.000 0.836 64 T N -1.630 112.938 114.554 0.022 0.000 7.013 64 T HA -0.265 4.085 4.350 0.000 0.000 0.288 64 T C 0.326 175.047 174.700 0.036 0.000 2.146 64 T CA 1.144 63.334 62.100 0.150 0.000 3.498 64 T CB -2.676 66.415 68.868 0.370 0.000 1.517 64 T HN 0.596 nan 8.240 nan 0.000 1.113 65 Q N 1.328 120.966 119.800 -0.269 0.000 3.207 65 Q HA 0.359 4.699 4.340 0.000 0.000 0.335 65 Q C 0.894 176.790 176.000 -0.173 0.000 1.374 65 Q CA -0.446 55.097 55.803 -0.434 0.000 1.023 65 Q CB 0.172 28.461 28.738 -0.749 0.000 1.576 65 Q HN 0.504 nan 8.270 nan 0.000 0.515 66 N N 0.655 119.329 118.700 -0.044 0.000 2.409 66 N HA -0.055 4.685 4.740 0.000 0.000 0.179 66 N C 1.210 176.731 175.510 0.018 0.000 1.032 66 N CA 0.752 53.804 53.050 0.003 0.000 0.898 66 N CB 0.285 38.799 38.487 0.044 0.000 0.971 66 N HN 0.362 nan 8.380 nan 0.000 0.441 67 R N 0.423 120.938 120.500 0.024 0.000 2.062 67 R HA 0.041 4.381 4.340 0.000 0.000 0.229 67 R C 2.038 178.356 176.300 0.030 0.000 1.128 67 R CA 0.636 56.759 56.100 0.037 0.000 0.960 67 R CB -0.294 30.041 30.300 0.058 0.000 0.855 67 R HN 0.081 nan 8.270 nan 0.000 0.432 68 I N 1.172 121.756 120.570 0.023 0.000 2.315 68 I HA -0.204 3.966 4.170 0.000 0.000 0.248 68 I C 1.796 177.983 176.117 0.118 0.000 1.117 68 I CA 1.402 62.741 61.300 0.064 0.000 1.404 68 I CB -0.036 38.012 38.000 0.081 0.000 1.071 68 I HN 0.097 nan 8.210 nan 0.000 0.419 69 L N 0.216 121.492 121.223 0.088 0.000 2.046 69 L HA -0.188 4.152 4.340 0.000 0.000 0.208 69 L C 2.765 179.680 176.870 0.076 0.000 1.077 69 L CA 1.436 56.343 54.840 0.112 0.000 0.747 69 L CB -0.863 41.216 42.059 0.033 0.000 0.896 69 L HN 0.265 nan 8.230 nan 0.000 0.432 70 R N 0.752 121.277 120.500 0.041 0.000 2.066 70 R HA -0.185 4.155 4.340 0.000 0.000 0.232 70 R C 2.317 178.624 176.300 0.012 0.000 1.131 70 R CA 1.687 57.803 56.100 0.026 0.000 0.955 70 R CB -0.642 29.672 30.300 0.023 0.000 0.851 70 R HN 0.256 nan 8.270 nan 0.000 0.432 71 L N 1.197 122.424 121.223 0.006 0.000 2.012 71 L HA -0.075 4.265 4.340 0.000 0.000 0.210 71 L C 2.425 179.260 176.870 -0.060 0.000 1.073 71 L CA 2.375 57.203 54.840 -0.020 0.000 0.748 71 L CB -0.825 41.223 42.059 -0.019 0.000 0.891 71 L HN 0.245 nan 8.230 nan 0.000 0.431 72 A N -0.679 122.090 122.820 -0.085 0.000 1.902 72 A HA -0.251 4.069 4.320 0.000 0.000 0.217 72 A C 2.461 179.983 177.584 -0.103 0.000 1.181 72 A CA 1.905 53.820 52.037 -0.204 0.000 0.623 72 A CB -0.639 18.110 19.000 -0.419 0.000 0.818 72 A HN 0.523 nan 8.150 nan 0.000 0.443 73 K N -0.265 120.126 120.400 -0.015 0.000 2.057 73 K HA -0.209 4.111 4.320 0.000 0.000 0.207 73 K C 2.061 178.652 176.600 -0.015 0.000 1.049 73 K CA 1.691 57.980 56.287 0.004 0.000 0.931 73 K CB -0.191 32.325 32.500 0.027 0.000 0.714 73 K HN 0.613 nan 8.250 nan 0.000 0.440 74 E N 0.475 120.663 120.200 -0.019 0.000 2.118 74 E HA -0.178 4.172 4.350 0.000 0.000 0.195 74 E C 1.688 178.268 176.600 -0.032 0.000 0.992 74 E CA 0.995 57.383 56.400 -0.019 0.000 0.804 74 E CB 0.002 29.693 29.700 -0.015 0.000 0.741 74 E HN 0.355 nan 8.360 nan 0.000 0.458 75 L N -0.706 120.483 121.223 -0.056 0.000 2.610 75 L HA 0.117 4.457 4.340 0.000 0.000 0.232 75 L C 1.382 178.211 176.870 -0.068 0.000 1.149 75 L CA 0.490 55.288 54.840 -0.070 0.000 0.872 75 L CB 0.114 42.110 42.059 -0.106 0.000 0.992 75 L HN 0.379 nan 8.230 nan 0.000 0.447 76 G N 0.142 108.910 108.800 -0.053 0.000 2.131 76 G HA2 -0.229 3.731 3.960 0.000 0.000 0.223 76 G HA3 -0.229 3.731 3.960 0.000 0.000 0.223 76 G C 0.049 174.923 174.900 -0.043 0.000 0.990 76 G CA -0.342 44.734 45.100 -0.039 0.000 0.671 76 G HN 0.199 nan 8.290 nan 0.000 0.521 77 L N -0.100 121.086 121.223 -0.063 0.000 2.379 77 L HA 0.748 5.088 4.340 0.000 0.000 0.269 77 L C 0.558 177.460 176.870 0.054 0.000 1.084 77 L CA -0.804 54.004 54.840 -0.053 0.000 0.802 77 L CB 1.182 43.115 42.059 -0.210 0.000 1.175 77 L HN 0.182 nan 8.230 nan 0.000 0.448 78 E N -0.076 120.198 120.200 0.124 0.000 2.299 78 E HA 0.456 4.806 4.350 0.000 0.000 0.265 78 E C -0.931 175.828 176.600 0.264 0.000 0.911 78 E CA -0.735 55.764 56.400 0.165 0.000 0.789 78 E CB 2.408 32.178 29.700 0.116 0.000 1.246 78 E HN 0.658 nan 8.360 nan 0.000 0.427 79 T N -1.252 113.406 114.554 0.174 0.000 2.952 79 T HA 0.615 4.965 4.350 0.000 0.000 0.286 79 T C -0.720 174.059 174.700 0.131 0.000 1.024 79 T CA -0.678 61.454 62.100 0.054 0.000 1.029 79 T CB 0.646 69.428 68.868 -0.144 0.000 1.094 79 T HN 0.525 nan 8.240 nan 0.000 0.515 80 Y N -1.507 118.791 120.300 -0.004 0.000 2.581 80 Y HA 0.699 5.249 4.550 0.000 0.000 0.345 80 Y C -0.708 175.193 175.900 0.003 0.000 1.036 80 Y CA -1.534 56.575 58.100 0.015 0.000 1.042 80 Y CB 1.442 39.931 38.460 0.049 0.000 1.289 80 Y HN 0.602 nan 8.280 nan 0.000 0.471 81 K N 2.446 122.909 120.400 0.104 0.000 2.297 81 K HA 0.377 4.697 4.320 0.000 0.000 0.286 81 K C -0.732 175.913 176.600 0.076 0.000 1.053 81 K CA -0.669 55.626 56.287 0.013 0.000 0.940 81 K CB 1.556 34.085 32.500 0.048 0.000 1.019 81 K HN 0.614 nan 8.250 nan 0.000 0.475 82 V N 3.331 123.231 119.914 -0.024 0.000 2.694 82 V HA -0.125 3.995 4.120 0.000 0.000 0.306 82 V C 0.646 176.796 176.094 0.092 0.000 1.054 82 V CA -0.086 62.258 62.300 0.073 0.000 1.161 82 V CB 0.207 32.060 31.823 0.051 0.000 0.916 82 V HN 0.723 nan 8.190 nan 0.000 0.490 83 N N 3.887 122.667 118.700 0.134 0.000 2.438 83 N HA 0.023 4.763 4.740 0.000 0.000 0.267 83 N C 0.231 175.777 175.510 0.060 0.000 1.222 83 N CA 0.494 53.609 53.050 0.109 0.000 0.930 83 N CB 0.241 38.818 38.487 0.150 0.000 1.083 83 N HN 0.823 nan 8.380 nan 0.000 0.476 84 E N 2.951 123.170 120.200 0.032 0.000 3.191 84 E HA 0.115 4.465 4.350 0.000 0.000 0.192 84 E C 0.256 176.852 176.600 -0.007 0.000 0.972 84 E CA -0.066 56.333 56.400 -0.003 0.000 1.266 84 E CB 0.265 29.949 29.700 -0.026 0.000 1.076 84 E HN 0.434 nan 8.360 nan 0.000 0.462 85 V N 0.455 120.378 119.914 0.014 0.000 2.323 85 V HA -0.133 3.987 4.120 0.000 0.000 0.244 85 V C 0.923 177.017 176.094 -0.000 0.000 1.041 85 V CA 1.539 63.843 62.300 0.007 0.000 1.025 85 V CB -0.084 31.747 31.823 0.015 0.000 0.656 85 V HN 0.256 nan 8.190 nan 0.000 0.451 86 E N -0.605 119.603 120.200 0.014 0.000 2.849 86 E HA 0.376 4.726 4.350 0.000 0.000 0.257 86 E C 0.203 176.801 176.600 -0.003 0.000 1.306 86 E CA -0.614 55.795 56.400 0.015 0.000 1.058 86 E CB 0.242 29.967 29.700 0.042 0.000 1.249 86 E HN 0.288 nan 8.360 nan 0.000 0.638 87 R N 0.258 120.773 120.500 0.025 0.000 2.543 87 R HA 0.234 4.574 4.340 0.000 0.000 0.277 87 R C -0.496 175.733 176.300 -0.117 0.000 1.074 87 R CA -0.507 55.575 56.100 -0.030 0.000 1.076 87 R CB 0.101 30.448 30.300 0.079 0.000 0.993 87 R HN 0.179 nan 8.270 nan 0.000 0.459 88 L N 2.830 123.789 121.223 -0.440 0.000 2.456 88 L HA 0.373 4.713 4.340 0.000 0.000 0.257 88 L C 0.231 176.791 176.870 -0.517 0.000 1.162 88 L CA 0.175 54.647 54.840 -0.613 0.000 0.808 88 L CB 0.479 41.906 42.059 -1.054 0.000 1.136 88 L HN 0.463 nan 8.230 nan 0.000 0.466 89 I N 0.315 120.733 120.570 -0.253 0.000 2.465 89 I HA 0.276 4.446 4.170 0.000 0.000 0.291 89 I C -0.528 175.818 176.117 0.381 0.000 1.014 89 I CA -0.472 60.848 61.300 0.033 0.000 1.093 89 I CB 1.498 39.393 38.000 -0.176 0.000 1.267 89 I HN 0.536 nan 8.210 nan 0.000 0.431 90 H N 5.305 124.664 119.070 0.481 0.000 2.581 90 H HA 0.300 4.856 4.556 0.000 0.000 0.308 90 H C -1.232 174.310 175.328 0.356 0.000 1.040 90 H CA -0.749 55.527 56.048 0.380 0.000 1.231 90 H CB 0.804 30.719 29.762 0.255 0.000 1.396 90 H HN 0.599 nan 8.280 nan 0.000 0.467 91 H N 4.564 123.737 119.070 0.172 0.000 2.597 91 H HA 0.348 4.904 4.556 -0.000 0.000 0.303 91 H C -1.333 173.975 175.328 -0.033 0.000 1.057 91 H CA -0.373 55.715 56.048 0.065 0.000 1.261 91 H CB 0.753 30.554 29.762 0.066 0.000 1.397 91 H HN 0.339 nan 8.280 nan 0.000 0.461 92 V N 5.981 125.730 119.914 -0.276 0.000 2.686 92 V HA 0.297 4.417 4.120 0.000 0.000 0.306 92 V C -0.611 175.398 176.094 -0.142 0.000 1.065 92 V CA -0.861 61.315 62.300 -0.208 0.000 0.894 92 V CB 1.336 32.963 31.823 -0.327 0.000 1.004 92 V HN 1.012 nan 8.190 nan 0.000 0.424 93 K N 4.845 125.195 120.400 -0.083 0.000 3.148 93 K HA -0.189 4.131 4.320 0.000 0.000 0.267 93 K C 0.894 177.444 176.600 -0.085 0.000 0.996 93 K CA 0.908 57.170 56.287 -0.041 0.000 0.737 93 K CB -1.563 30.936 32.500 -0.003 0.000 1.308 93 K HN 2.079 nan 8.250 nan 0.000 0.470 94 G N 0.089 108.800 108.800 -0.149 0.000 2.179 94 G HA2 -0.356 3.604 3.960 0.000 0.000 0.257 94 G HA3 -0.356 3.604 3.960 0.000 0.000 0.257 94 G C -0.064 174.677 174.900 -0.265 0.000 1.010 94 G CA 1.195 46.238 45.100 -0.095 0.000 0.736 94 G HN 0.434 nan 8.290 nan 0.000 0.513 95 K N -0.268 119.770 120.400 -0.604 0.000 2.464 95 K HA 0.606 4.926 4.320 0.000 0.000 0.253 95 K C -0.519 175.773 176.600 -0.512 0.000 0.933 95 K CA -0.523 55.512 56.287 -0.419 0.000 0.801 95 K CB 1.461 33.801 32.500 -0.268 0.000 1.271 95 K HN 0.047 nan 8.250 nan 0.000 0.430 96 S N 2.213 117.739 115.700 -0.290 0.000 2.480 96 S HA 0.420 4.890 4.470 0.000 0.000 0.286 96 S C -1.456 172.946 174.600 -0.329 0.000 1.180 96 S CA -0.390 57.758 58.200 -0.087 0.000 1.075 96 S CB 0.299 63.541 63.200 0.069 0.000 0.996 96 S HN 0.386 nan 8.310 nan 0.000 0.487 97 Y N 2.799 123.178 120.300 0.133 0.000 2.426 97 Y HA 0.351 4.901 4.550 0.000 0.000 0.325 97 Y C -2.488 173.602 175.900 0.317 0.000 0.989 97 Y CA -2.428 55.791 58.100 0.198 0.000 1.284 97 Y CB 0.850 39.418 38.460 0.181 0.000 1.104 97 Y HN 0.453 nan 8.280 nan 0.000 0.481 98 P HA 0.200 nan 4.420 nan 0.000 0.271 98 P C -0.912 176.651 177.300 0.437 0.000 1.216 98 P CA 0.018 63.318 63.100 0.334 0.000 0.776 98 P CB 0.458 32.357 31.700 0.331 0.000 0.881 99 F N -0.569 119.487 119.950 0.177 0.000 2.654 99 F HA 0.635 5.162 4.527 -0.000 0.000 0.308 99 F C -0.710 175.147 175.800 0.094 0.000 1.108 99 F CA -1.359 56.729 58.000 0.146 0.000 0.957 99 F CB 1.442 40.530 39.000 0.146 0.000 1.309 99 F HN 0.025 nan 8.300 nan 0.000 0.446 100 R N 1.670 122.269 120.500 0.165 0.000 2.573 100 R HA 0.787 5.127 4.340 0.000 0.000 0.272 100 R C 0.100 176.481 176.300 0.136 0.000 1.009 100 R CA -0.493 55.634 56.100 0.045 0.000 1.059 100 R CB 1.235 31.571 30.300 0.059 0.000 1.112 100 R HN 1.388 nan 8.270 nan 0.000 0.517 101 G N 1.313 110.123 108.800 0.016 0.000 2.710 101 G HA2 -0.175 3.785 3.960 0.000 0.000 0.668 101 G HA3 -0.175 3.785 3.960 0.000 0.000 0.668 101 G C -2.256 172.605 174.900 -0.065 0.000 1.320 101 G CA -0.837 44.249 45.100 -0.022 0.000 0.860 101 G HN 0.415 nan 8.290 nan 0.000 0.538 102 P HA 0.215 nan 4.420 nan 0.000 0.224 102 P C 0.370 177.411 177.300 -0.431 0.000 1.157 102 P CA 1.044 63.765 63.100 -0.633 0.000 0.799 102 P CB 0.101 30.957 31.700 -1.407 0.000 0.809 103 F N -0.748 119.294 119.950 0.154 0.000 2.532 103 F HA 0.498 5.025 4.527 0.000 0.000 0.321 103 F C -2.450 173.093 175.800 -0.429 0.000 1.089 103 F CA -3.432 54.520 58.000 -0.080 0.000 0.926 103 F CB 0.865 39.743 39.000 -0.203 0.000 1.168 103 F HN -0.404 nan 8.300 nan 0.000 0.459 104 P HA 0.123 nan 4.420 nan 0.000 0.271 104 P C -2.403 174.591 177.300 -0.511 0.000 1.226 104 P CA -0.881 61.449 63.100 -1.284 0.000 0.765 104 P CB -0.091 30.998 31.700 -1.019 0.000 0.835 105 P HA 0.064 nan 4.420 nan 0.000 0.271 105 P C -0.864 176.258 177.300 -0.297 0.000 1.218 105 P CA 0.174 63.099 63.100 -0.291 0.000 0.780 105 P CB 0.588 32.126 31.700 -0.271 0.000 0.901 106 V N 2.508 122.223 119.914 -0.333 0.000 2.487 106 V HA 0.217 4.337 4.120 0.000 0.000 0.298 106 V C 0.312 176.239 176.094 -0.277 0.000 1.028 106 V CA -0.192 61.955 62.300 -0.254 0.000 0.860 106 V CB 1.577 33.224 31.823 -0.292 0.000 0.991 106 V HN 0.699 nan 8.190 nan 0.000 0.427 107 W N 1.127 122.398 121.300 -0.047 0.000 2.699 107 W HA 0.195 4.855 4.660 0.000 0.000 0.265 107 W C 1.414 177.915 176.519 -0.030 0.000 1.210 107 W CA -0.118 57.200 57.345 -0.045 0.000 1.414 107 W CB 0.352 29.781 29.460 -0.051 0.000 1.043 107 W HN 0.507 nan 8.180 nan 0.000 0.599 108 N N 2.036 120.851 118.700 0.192 0.000 2.447 108 N HA -0.040 4.700 4.740 0.000 0.000 0.263 108 N C -1.844 173.738 175.510 0.120 0.000 1.226 108 N CA -0.383 52.744 53.050 0.127 0.000 0.906 108 N CB 1.414 39.954 38.487 0.089 0.000 1.060 108 N HN -0.117 nan 8.380 nan 0.000 0.468 109 P HA -0.062 nan 4.420 nan 0.000 0.217 109 P C 1.562 178.941 177.300 0.132 0.000 1.151 109 P CA 0.600 63.763 63.100 0.105 0.000 0.828 109 P CB 0.371 32.110 31.700 0.064 0.000 0.788 110 I N -0.468 120.159 120.570 0.095 0.000 2.179 110 I HA -0.169 4.001 4.170 0.000 0.000 0.242 110 I C 1.957 178.134 176.117 0.101 0.000 1.088 110 I CA 1.885 63.233 61.300 0.080 0.000 1.357 110 I CB -2.060 35.980 38.000 0.067 0.000 1.051 110 I HN 0.018 nan 8.210 nan 0.000 0.409 111 T N 0.352 114.973 114.554 0.111 0.000 2.788 111 T HA -0.247 4.103 4.350 0.000 0.000 0.268 111 T C 1.879 176.650 174.700 0.118 0.000 1.044 111 T CA 1.453 63.629 62.100 0.128 0.000 1.139 111 T CB -0.615 68.297 68.868 0.073 0.000 0.867 111 T HN 0.325 nan 8.240 nan 0.000 0.454 112 Y N 1.721 122.006 120.300 -0.026 0.000 2.145 112 Y HA -0.099 4.451 4.550 0.000 0.000 0.286 112 Y C 2.045 177.956 175.900 0.017 0.000 1.145 112 Y CA 1.177 59.248 58.100 -0.048 0.000 1.148 112 Y CB -0.440 37.972 38.460 -0.080 0.000 0.981 112 Y HN 0.104 nan 8.280 nan 0.000 0.507 113 L N -0.136 121.132 121.223 0.075 0.000 2.046 113 L HA -0.235 4.105 4.340 0.000 0.000 0.208 113 L C 2.183 179.008 176.870 -0.074 0.000 1.077 113 L CA 1.788 56.616 54.840 -0.019 0.000 0.747 113 L CB -0.649 41.424 42.059 0.023 0.000 0.896 113 L HN 0.249 nan 8.230 nan 0.000 0.432 114 D N -0.852 119.545 120.400 -0.005 0.000 2.097 114 D HA -0.203 4.437 4.640 0.000 0.000 0.195 114 D C 2.180 178.461 176.300 -0.031 0.000 0.989 114 D CA 1.324 55.328 54.000 0.007 0.000 0.827 114 D CB 0.031 40.879 40.800 0.080 0.000 0.966 114 D HN 0.306 nan 8.370 nan 0.000 0.456 115 H N -0.283 118.699 119.070 -0.147 0.000 2.321 115 H HA -0.115 4.441 4.556 0.000 0.000 0.300 115 H C 2.166 177.415 175.328 -0.131 0.000 1.087 115 H CA 1.201 57.160 56.048 -0.149 0.000 1.319 115 H CB -0.161 29.558 29.762 -0.073 0.000 1.379 115 H HN 0.281 nan 8.280 nan 0.000 0.501 116 N N 1.132 119.748 118.700 -0.140 0.000 2.069 116 N HA -0.184 4.556 4.740 0.000 0.000 0.191 116 N C 1.830 177.265 175.510 -0.125 0.000 1.031 116 N CA 0.939 53.873 53.050 -0.194 0.000 0.852 116 N CB -0.230 38.006 38.487 -0.418 0.000 1.018 116 N HN 0.404 nan 8.380 nan 0.000 0.423 117 N N -0.033 118.587 118.700 -0.133 0.000 2.166 117 N HA -0.187 4.553 4.740 0.000 0.000 0.186 117 N C 1.893 177.310 175.510 -0.156 0.000 1.019 117 N CA 0.775 53.749 53.050 -0.128 0.000 0.856 117 N CB -0.310 38.115 38.487 -0.104 0.000 0.993 117 N HN 0.235 nan 8.380 nan 0.000 0.426 118 F N 0.790 120.538 119.950 -0.336 0.000 2.046 118 F HA -0.141 4.386 4.527 -0.000 0.000 0.297 118 F C 1.817 177.334 175.800 -0.471 0.000 1.123 118 F CA 1.763 59.470 58.000 -0.488 0.000 1.199 118 F CB -0.920 37.610 39.000 -0.782 0.000 0.972 118 F HN 0.078 nan 8.300 nan 0.000 0.474 119 W N 0.584 121.634 121.300 -0.417 0.000 2.338 119 W HA -0.139 4.521 4.660 -0.000 0.000 0.304 119 W C 2.822 179.057 176.519 -0.473 0.000 1.212 119 W CA 1.441 58.459 57.345 -0.545 0.000 1.264 119 W CB -0.711 28.503 29.460 -0.411 0.000 1.142 119 W HN -0.052 nan 8.180 nan 0.000 0.512 120 R N 0.202 120.611 120.500 -0.151 0.000 2.083 120 R HA -0.162 4.178 4.340 0.000 0.000 0.237 120 R C 1.945 178.112 176.300 -0.221 0.000 1.137 120 R CA 2.256 58.251 56.100 -0.175 0.000 0.951 120 R CB -0.731 29.473 30.300 -0.160 0.000 0.851 120 R HN 0.048 nan 8.270 nan 0.000 0.434 121 T N 1.320 115.708 114.554 -0.277 0.000 2.746 121 T HA -0.117 4.233 4.350 0.000 0.000 0.267 121 T C 1.850 176.348 174.700 -0.336 0.000 1.039 121 T CA 1.386 63.322 62.100 -0.275 0.000 1.142 121 T CB -0.055 68.658 68.868 -0.258 0.000 0.866 121 T HN 0.180 nan 8.240 nan 0.000 0.444 122 M N 1.559 120.871 119.600 -0.480 0.000 2.080 122 M HA -0.116 4.364 4.480 0.000 0.000 0.260 122 M C 1.841 177.982 176.300 -0.266 0.000 1.068 122 M CA 1.544 56.591 55.300 -0.421 0.000 1.109 122 M CB -1.041 31.252 32.600 -0.510 0.000 1.342 122 M HN 0.197 nan 8.290 nan 0.000 0.405 123 D N 0.424 120.688 120.400 -0.228 0.000 2.123 123 D HA -0.116 4.524 4.640 0.000 0.000 0.200 123 D C 1.599 177.813 176.300 -0.142 0.000 0.976 123 D CA 1.015 54.912 54.000 -0.171 0.000 0.831 123 D CB -0.313 40.395 40.800 -0.154 0.000 0.974 123 D HN 0.287 nan 8.370 nan 0.000 0.469 124 D N 0.466 120.780 120.400 -0.143 0.000 2.104 124 D HA -0.136 4.504 4.640 0.000 0.000 0.194 124 D C 2.194 178.465 176.300 -0.049 0.000 0.994 124 D CA 0.846 54.789 54.000 -0.095 0.000 0.830 124 D CB -0.276 40.466 40.800 -0.096 0.000 0.959 124 D HN 0.247 nan 8.370 nan 0.000 0.452 125 M N 0.212 119.745 119.600 -0.111 0.000 2.117 125 M HA -0.046 4.434 4.480 0.000 0.000 0.262 125 M C 2.350 178.668 176.300 0.030 0.000 1.065 125 M CA 1.628 56.866 55.300 -0.103 0.000 1.114 125 M CB -0.439 31.828 32.600 -0.557 0.000 1.361 125 M HN 0.038 nan 8.290 nan 0.000 0.408 126 G N 0.158 108.917 108.800 -0.068 0.000 2.442 126 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 126 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 126 G C 1.617 176.507 174.900 -0.016 0.000 1.141 126 G CA 0.661 45.733 45.100 -0.048 0.000 0.763 126 G HN 0.397 nan 8.290 nan 0.000 0.554 127 R N 0.062 120.546 120.500 -0.025 0.000 2.193 127 R HA -0.012 4.328 4.340 0.000 0.000 0.229 127 R C 1.799 178.101 176.300 0.003 0.000 1.110 127 R CA 0.878 56.960 56.100 -0.030 0.000 0.988 127 R CB 0.047 30.322 30.300 -0.041 0.000 0.871 127 R HN 0.251 nan 8.270 nan 0.000 0.458 128 E N 0.162 120.406 120.200 0.073 0.000 2.489 128 E HA 0.067 4.417 4.350 0.000 0.000 0.193 128 E C 0.051 176.677 176.600 0.044 0.000 1.057 128 E CA 0.409 56.849 56.400 0.067 0.000 0.866 128 E CB 0.367 30.148 29.700 0.135 0.000 0.916 128 E HN 0.328 nan 8.360 nan 0.000 0.500 129 I N 2.714 123.326 120.570 0.070 0.000 2.359 129 I HA 0.203 4.373 4.170 0.000 0.000 0.284 129 I C -2.411 173.704 176.117 -0.002 0.000 1.018 129 I CA -2.372 58.964 61.300 0.060 0.000 1.173 129 I CB 1.473 39.578 38.000 0.175 0.000 1.326 129 I HN -0.338 nan 8.210 nan 0.000 0.462 130 P HA 0.112 nan 4.420 nan 0.000 0.267 130 P C 0.512 177.774 177.300 -0.063 0.000 1.205 130 P CA 0.177 63.201 63.100 -0.126 0.000 0.765 130 P CB 0.919 32.487 31.700 -0.220 0.000 0.828 131 S N 2.111 117.794 115.700 -0.028 0.000 2.383 131 S HA -0.165 4.305 4.470 0.000 0.000 0.229 131 S C 1.297 175.989 174.600 0.153 0.000 1.030 131 S CA 1.810 60.076 58.200 0.109 0.000 1.002 131 S CB -0.577 62.593 63.200 -0.050 0.000 0.829 131 S HN 0.677 nan 8.310 nan 0.000 0.467 132 D N 0.447 120.786 120.400 -0.102 0.000 2.349 132 D HA 0.239 4.879 4.640 0.000 0.000 0.215 132 D C 0.308 176.369 176.300 -0.398 0.000 1.016 132 D CA 0.389 54.280 54.000 -0.182 0.000 0.870 132 D CB 0.096 40.720 40.800 -0.292 0.000 0.917 132 D HN 0.274 nan 8.370 nan 0.000 0.524 133 A N 1.104 123.523 122.820 -0.668 0.000 3.277 133 A HA 0.366 4.686 4.320 0.000 0.000 0.281 133 A C -2.167 174.607 177.584 -1.350 0.000 1.179 133 A CA -0.794 50.349 52.037 -1.490 0.000 0.879 133 A CB 0.957 19.374 19.000 -0.971 0.000 1.374 133 A HN -0.120 nan 8.150 nan 0.000 0.590 134 P HA -0.181 nan 4.420 nan 0.000 0.218 134 P C 1.289 178.384 177.300 -0.342 0.000 1.148 134 P CA 1.569 64.345 63.100 -0.540 0.000 0.822 134 P CB -0.330 31.022 31.700 -0.580 0.000 0.784 135 W N 0.851 122.069 121.300 -0.136 0.000 2.538 135 W HA 0.072 4.732 4.660 0.000 0.000 0.254 135 W C 1.300 177.768 176.519 -0.086 0.000 1.249 135 W CA 0.447 57.734 57.345 -0.096 0.000 1.253 135 W CB -1.426 27.974 29.460 -0.101 0.000 1.130 135 W HN -0.114 nan 8.180 nan 0.000 0.618 136 K N 0.789 120.996 120.400 -0.322 0.000 2.404 136 K HA 0.300 4.620 4.320 0.000 0.000 0.194 136 K C 0.899 177.401 176.600 -0.164 0.000 1.023 136 K CA 0.253 56.429 56.287 -0.185 0.000 1.094 136 K CB 0.014 32.363 32.500 -0.252 0.000 0.841 136 K HN 0.108 nan 8.250 nan 0.000 0.523 137 A N 2.458 125.177 122.820 -0.169 0.000 2.540 137 A HA 0.085 4.405 4.320 0.000 0.000 0.239 137 A C -1.612 175.829 177.584 -0.237 0.000 1.061 137 A CA -0.933 50.995 52.037 -0.181 0.000 0.758 137 A CB 0.100 19.008 19.000 -0.152 0.000 0.991 137 A HN -0.025 nan 8.150 nan 0.000 0.502 138 P HA -0.141 nan 4.420 nan 0.000 0.216 138 P C 0.485 177.583 177.300 -0.338 0.000 1.150 138 P CA 1.279 64.232 63.100 -0.245 0.000 0.843 138 P CB 0.037 31.609 31.700 -0.213 0.000 0.787 139 L N -2.316 118.539 121.223 -0.614 0.000 2.984 139 L HA 0.365 4.705 4.340 0.000 0.000 0.246 139 L C 1.832 178.276 176.870 -0.710 0.000 1.268 139 L CA -0.318 54.067 54.840 -0.759 0.000 1.054 139 L CB -0.480 40.878 42.059 -1.167 0.000 1.393 139 L HN -0.108 nan 8.230 nan 0.000 0.532 140 A N 0.524 123.117 122.820 -0.377 0.000 1.873 140 A HA -0.219 4.101 4.320 0.000 0.000 0.218 140 A C 2.198 179.773 177.584 -0.014 0.000 1.193 140 A CA 1.743 53.703 52.037 -0.128 0.000 0.629 140 A CB -0.177 18.804 19.000 -0.033 0.000 0.826 140 A HN 0.504 nan 8.150 nan 0.000 0.447 141 E N -0.902 119.277 120.200 -0.036 0.000 2.051 141 E HA -0.233 4.117 4.350 0.000 0.000 0.192 141 E C 2.134 178.769 176.600 0.057 0.000 0.991 141 E CA 1.288 57.701 56.400 0.021 0.000 0.799 141 E CB -0.244 29.455 29.700 -0.002 0.000 0.748 141 E HN 0.814 nan 8.360 nan 0.000 0.449 142 E N 0.020 120.226 120.200 0.009 0.000 2.058 142 E HA -0.201 4.149 4.350 0.000 0.000 0.194 142 E C 1.812 178.582 176.600 0.283 0.000 0.997 142 E CA 1.205 57.662 56.400 0.095 0.000 0.801 142 E CB -0.011 29.708 29.700 0.032 0.000 0.746 142 E HN 0.284 nan 8.360 nan 0.000 0.450 143 W N 0.948 122.290 121.300 0.069 0.000 2.436 143 W HA -0.055 4.605 4.660 0.000 0.000 0.284 143 W C 1.964 178.555 176.519 0.120 0.000 1.225 143 W CA 0.715 58.115 57.345 0.090 0.000 1.271 143 W CB -1.018 28.495 29.460 0.088 0.000 1.114 143 W HN 0.219 nan 8.180 nan 0.000 0.559 144 D N -0.313 120.286 120.400 0.332 0.000 2.224 144 D HA -0.124 4.516 4.640 0.000 0.000 0.205 144 D C 1.292 177.720 176.300 0.213 0.000 0.965 144 D CA 0.947 55.106 54.000 0.266 0.000 0.852 144 D CB -0.228 40.701 40.800 0.216 0.000 0.947 144 D HN -0.107 nan 8.370 nan 0.000 0.494 145 N N -0.386 118.423 118.700 0.181 0.000 2.383 145 N HA 0.081 4.821 4.740 0.000 0.000 0.192 145 N C -0.184 175.407 175.510 0.135 0.000 1.141 145 N CA 0.172 53.306 53.050 0.139 0.000 0.851 145 N CB 0.234 38.785 38.487 0.107 0.000 0.976 145 N HN 0.316 nan 8.380 nan 0.000 0.465 146 M N 0.167 119.864 119.600 0.162 0.000 2.465 146 M HA 0.197 4.677 4.480 0.000 0.000 0.316 146 M C -0.087 176.297 176.300 0.141 0.000 1.121 146 M CA -0.587 54.796 55.300 0.137 0.000 0.934 146 M CB 1.975 34.665 32.600 0.149 0.000 1.692 146 M HN -0.007 nan 8.290 nan 0.000 0.444 147 T N 0.194 114.813 114.554 0.109 0.000 2.849 147 T HA 0.222 4.572 4.350 0.000 0.000 0.284 147 T C 1.138 175.883 174.700 0.075 0.000 1.004 147 T CA -0.816 61.346 62.100 0.103 0.000 1.021 147 T CB 0.854 69.774 68.868 0.086 0.000 1.013 147 T HN 0.655 nan 8.240 nan 0.000 0.527 148 M N 0.286 119.916 119.600 0.049 0.000 2.213 148 M HA -0.002 4.478 4.480 0.000 0.000 0.263 148 M C 2.145 178.425 176.300 -0.034 0.000 1.062 148 M CA 1.569 56.863 55.300 -0.010 0.000 1.105 148 M CB -1.402 31.116 32.600 -0.138 0.000 1.385 148 M HN 0.882 nan 8.290 nan 0.000 0.417 149 K N 0.707 121.093 120.400 -0.024 0.000 2.032 149 K HA -0.163 4.157 4.320 0.000 0.000 0.209 149 K C 1.701 178.290 176.600 -0.019 0.000 1.048 149 K CA 1.688 57.964 56.287 -0.020 0.000 0.927 149 K CB -0.078 32.441 32.500 0.031 0.000 0.712 149 K HN 0.377 nan 8.250 nan 0.000 0.441 150 E N 0.085 120.287 120.200 0.004 0.000 2.058 150 E HA -0.208 4.142 4.350 0.000 0.000 0.194 150 E C 1.982 178.577 176.600 -0.007 0.000 0.997 150 E CA 1.295 57.696 56.400 0.002 0.000 0.801 150 E CB -0.206 29.511 29.700 0.028 0.000 0.746 150 E HN 0.218 nan 8.360 nan 0.000 0.450 151 L N 1.171 122.395 121.223 0.000 0.000 2.017 151 L HA -0.182 4.158 4.340 0.000 0.000 0.208 151 L C 2.084 178.950 176.870 -0.007 0.000 1.073 151 L CA 1.548 56.383 54.840 -0.009 0.000 0.745 151 L CB -0.365 41.683 42.059 -0.019 0.000 0.894 151 L HN 0.132 nan 8.230 nan 0.000 0.432 152 L N -0.851 120.358 121.223 -0.023 0.000 2.046 152 L HA -0.227 4.113 4.340 0.000 0.000 0.208 152 L C 2.252 179.057 176.870 -0.107 0.000 1.077 152 L CA 1.430 56.223 54.840 -0.079 0.000 0.747 152 L CB -1.017 40.954 42.059 -0.147 0.000 0.896 152 L HN 0.286 nan 8.230 nan 0.000 0.432 153 D N 0.293 120.636 120.400 -0.095 0.000 2.149 153 D HA -0.173 4.467 4.640 0.000 0.000 0.198 153 D C 2.213 178.431 176.300 -0.137 0.000 0.990 153 D CA 1.267 55.196 54.000 -0.119 0.000 0.839 153 D CB 0.001 40.744 40.800 -0.095 0.000 0.948 153 D HN 0.264 nan 8.370 nan 0.000 0.460 154 K N -0.226 120.125 120.400 -0.081 0.000 2.076 154 K HA 0.077 4.397 4.320 0.000 0.000 0.204 154 K C 2.212 178.810 176.600 -0.003 0.000 1.051 154 K CA 0.418 56.672 56.287 -0.055 0.000 0.949 154 K CB 0.109 32.606 32.500 -0.005 0.000 0.726 154 K HN 0.094 nan 8.250 nan 0.000 0.443 155 L N 0.302 121.540 121.223 0.026 0.000 2.162 155 L HA -0.022 4.318 4.340 0.000 0.000 0.205 155 L C 0.630 177.601 176.870 0.169 0.000 1.086 155 L CA 0.125 55.033 54.840 0.114 0.000 0.778 155 L CB 0.121 42.254 42.059 0.123 0.000 0.928 155 L HN 0.151 nan 8.230 nan 0.000 0.446 156 C N -0.372 118.936 119.300 0.014 0.000 2.303 156 C HA 0.101 4.561 4.460 0.000 0.000 0.341 156 C C 0.803 175.797 174.990 0.007 0.000 1.244 156 C CA -0.912 58.090 59.018 -0.026 0.000 1.765 156 C CB -0.671 26.930 27.740 -0.232 0.000 2.379 156 C HN 0.466 nan 8.230 nan 0.000 0.530 157 W N 1.763 123.010 121.300 -0.088 0.000 3.197 157 W HA 0.144 4.804 4.660 -0.000 0.000 0.274 157 W C 1.376 177.868 176.519 -0.045 0.000 1.297 157 W CA 0.081 57.393 57.345 -0.054 0.000 1.662 157 W CB -0.090 29.350 29.460 -0.034 0.000 1.106 157 W HN 0.687 nan 8.180 nan 0.000 0.663 158 T N -3.511 111.111 114.554 0.114 0.000 2.887 158 T HA 0.298 4.648 4.350 0.000 0.000 0.288 158 T C 0.832 175.524 174.700 -0.014 0.000 1.021 158 T CA -0.614 61.523 62.100 0.062 0.000 1.000 158 T CB 2.601 71.531 68.868 0.103 0.000 1.034 158 T HN -0.238 nan 8.240 nan 0.000 0.467 159 E N 1.077 121.272 120.200 -0.007 0.000 2.153 159 E HA -0.110 4.240 4.350 0.000 0.000 0.194 159 E C 2.146 178.734 176.600 -0.021 0.000 0.988 159 E CA 1.254 57.636 56.400 -0.030 0.000 0.811 159 E CB -0.403 29.289 29.700 -0.012 0.000 0.746 159 E HN 0.747 nan 8.360 nan 0.000 0.466 160 S N 0.467 116.192 115.700 0.042 0.000 2.359 160 S HA -0.185 4.285 4.470 0.000 0.000 0.224 160 S C 2.061 176.685 174.600 0.039 0.000 1.035 160 S CA 1.601 59.878 58.200 0.127 0.000 1.018 160 S CB -0.072 63.276 63.200 0.247 0.000 0.876 160 S HN 0.298 nan 8.310 nan 0.000 0.448 161 A N 1.181 123.894 122.820 -0.179 0.000 1.898 161 A HA -0.010 4.310 4.320 0.000 0.000 0.216 161 A C 2.178 179.393 177.584 -0.615 0.000 1.181 161 A CA 1.675 53.268 52.037 -0.739 0.000 0.620 161 A CB -0.704 17.874 19.000 -0.704 0.000 0.819 161 A HN 0.633 nan 8.150 nan 0.000 0.442 162 K N -0.475 119.691 120.400 -0.389 0.000 2.057 162 K HA -0.220 4.101 4.320 0.000 0.000 0.207 162 K C 2.255 178.703 176.600 -0.254 0.000 1.049 162 K CA 1.819 57.898 56.287 -0.348 0.000 0.931 162 K CB -0.193 32.177 32.500 -0.217 0.000 0.714 162 K HN 0.625 nan 8.250 nan 0.000 0.440 163 Q N 0.225 119.940 119.800 -0.141 0.000 2.084 163 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 163 Q C 2.102 178.098 176.000 -0.006 0.000 0.978 163 Q CA 1.281 57.059 55.803 -0.041 0.000 0.844 163 Q CB -0.067 28.685 28.738 0.024 0.000 0.898 163 Q HN 0.208 nan 8.270 nan 0.000 0.426 164 L N 0.403 121.611 121.223 -0.026 0.000 2.056 164 L HA -0.060 4.280 4.340 0.000 0.000 0.207 164 L C 2.112 179.002 176.870 0.034 0.000 1.078 164 L CA 1.873 56.760 54.840 0.078 0.000 0.749 164 L CB -0.796 41.348 42.059 0.141 0.000 0.901 164 L HN 0.134 nan 8.230 nan 0.000 0.433 165 A N -1.620 120.995 122.820 -0.341 0.000 1.908 165 A HA -0.224 4.096 4.320 0.000 0.000 0.218 165 A C 2.273 179.819 177.584 -0.063 0.000 1.181 165 A CA 2.371 54.124 52.037 -0.473 0.000 0.627 165 A CB -1.180 17.040 19.000 -1.300 0.000 0.818 165 A HN 0.493 nan 8.150 nan 0.000 0.445 166 T N 0.019 114.514 114.554 -0.098 0.000 2.708 166 T HA -0.114 4.236 4.350 0.000 0.000 0.266 166 T C 1.866 176.600 174.700 0.057 0.000 1.037 166 T CA 1.351 63.428 62.100 -0.038 0.000 1.146 166 T CB -0.392 68.450 68.868 -0.044 0.000 0.865 166 T HN 0.400 nan 8.240 nan 0.000 0.435 167 L N 0.156 121.459 121.223 0.133 0.000 2.012 167 L HA -0.089 4.251 4.340 0.000 0.000 0.210 167 L C 2.236 179.268 176.870 0.270 0.000 1.073 167 L CA 1.571 56.535 54.840 0.207 0.000 0.748 167 L CB -0.393 41.824 42.059 0.263 0.000 0.891 167 L HN 0.227 nan 8.230 nan 0.000 0.431 168 F N -0.299 119.778 119.950 0.212 0.000 2.091 168 F HA -0.265 4.262 4.527 0.000 0.000 0.299 168 F C 2.112 178.067 175.800 0.257 0.000 1.103 168 F CA 2.198 60.384 58.000 0.310 0.000 1.228 168 F CB -0.576 38.737 39.000 0.522 0.000 0.984 168 F HN -0.129 nan 8.300 nan 0.000 0.477 169 V N 1.032 120.981 119.914 0.058 0.000 2.261 169 V HA -0.363 3.757 4.120 0.000 0.000 0.246 169 V C 2.013 178.011 176.094 -0.158 0.000 1.047 169 V CA 2.487 64.616 62.300 -0.285 0.000 1.015 169 V CB -1.108 30.402 31.823 -0.523 0.000 0.642 169 V HN 0.417 nan 8.190 nan 0.000 0.446 170 N N 0.155 118.807 118.700 -0.081 0.000 2.061 170 N HA -0.236 4.504 4.740 0.000 0.000 0.193 170 N C 1.758 177.247 175.510 -0.035 0.000 1.030 170 N CA 1.466 54.481 53.050 -0.058 0.000 0.856 170 N CB -0.259 38.235 38.487 0.011 0.000 1.023 170 N HN 0.349 nan 8.380 nan 0.000 0.424 171 L N 0.706 121.948 121.223 0.032 0.000 2.109 171 L HA -0.024 4.316 4.340 0.000 0.000 0.207 171 L C 1.969 178.892 176.870 0.088 0.000 1.086 171 L CA 1.444 56.332 54.840 0.080 0.000 0.760 171 L CB -0.446 41.690 42.059 0.128 0.000 0.910 171 L HN 0.240 nan 8.230 nan 0.000 0.437 172 C N -1.430 117.875 119.300 0.008 0.000 2.440 172 C HA 0.002 4.462 4.460 0.000 0.000 0.278 172 C C 2.150 177.235 174.990 0.159 0.000 1.295 172 C CA 0.870 59.943 59.018 0.092 0.000 1.738 172 C CB -0.580 27.129 27.740 -0.051 0.000 1.987 172 C HN 0.573 nan 8.230 nan 0.000 0.492 173 V N -2.176 117.740 119.914 0.005 0.000 3.276 173 V HA 0.303 4.423 4.120 0.000 0.000 0.319 173 V C 0.754 176.705 176.094 -0.239 0.000 1.476 173 V CA 0.737 62.991 62.300 -0.076 0.000 1.097 173 V CB -1.372 30.540 31.823 0.148 0.000 0.988 173 V HN 0.496 nan 8.190 nan 0.000 0.473 174 T N -1.509 112.819 114.554 -0.377 0.000 3.852 174 T HA -0.090 4.260 4.350 0.000 0.000 0.361 174 T C 0.153 174.690 174.700 -0.272 0.000 0.759 174 T CA 1.400 63.267 62.100 -0.387 0.000 1.899 174 T CB -2.555 65.952 68.868 -0.602 0.000 1.822 174 T HN 2.462 nan 8.240 nan 0.000 0.778 175 A N -0.376 122.274 122.820 -0.283 0.000 2.594 175 A HA 0.721 5.041 4.320 0.000 0.000 0.291 175 A C -0.416 176.961 177.584 -0.346 0.000 1.105 175 A CA -1.063 50.731 52.037 -0.404 0.000 0.694 175 A CB 1.230 19.756 19.000 -0.789 0.000 1.291 175 A HN 0.337 nan 8.150 nan 0.000 0.410 176 E N 0.556 120.506 120.200 -0.416 0.000 2.373 176 E HA 0.229 4.579 4.350 0.000 0.000 0.263 176 E C 1.262 177.570 176.600 -0.488 0.000 1.073 176 E CA 0.540 56.662 56.400 -0.463 0.000 0.894 176 E CB 0.830 30.055 29.700 -0.792 0.000 1.008 176 E HN 0.808 nan 8.360 nan 0.000 0.420 177 T N -1.242 113.101 114.554 -0.352 0.000 2.759 177 T HA -0.221 4.129 4.350 0.000 0.000 0.269 177 T C 1.480 176.072 174.700 -0.180 0.000 1.042 177 T CA 1.758 63.709 62.100 -0.249 0.000 1.140 177 T CB -0.421 68.352 68.868 -0.159 0.000 0.864 177 T HN 0.640 nan 8.240 nan 0.000 0.455 178 H N 0.670 119.689 119.070 -0.085 0.000 2.547 178 H HA 0.232 4.788 4.556 -0.000 0.000 0.272 178 H C 1.489 176.793 175.328 -0.041 0.000 0.989 178 H CA 0.899 56.915 56.048 -0.053 0.000 1.214 178 H CB -0.196 29.534 29.762 -0.054 0.000 1.389 178 H HN 0.510 nan 8.280 nan 0.000 0.577 179 E N 1.355 121.381 120.200 -0.290 0.000 2.318 179 E HA 0.051 4.401 4.350 0.000 0.000 0.193 179 E C 0.785 177.353 176.600 -0.053 0.000 0.998 179 E CA 0.409 56.715 56.400 -0.157 0.000 0.859 179 E CB 0.846 30.309 29.700 -0.394 0.000 0.812 179 E HN 0.363 nan 8.360 nan 0.000 0.492 180 V N -0.999 118.876 119.914 -0.065 0.000 2.667 180 V HA 0.424 4.544 4.120 0.000 0.000 0.308 180 V C 0.007 176.245 176.094 0.240 0.000 1.048 180 V CA -1.174 61.198 62.300 0.120 0.000 0.928 180 V CB 1.848 33.788 31.823 0.195 0.000 1.004 180 V HN -0.024 nan 8.190 nan 0.000 0.444 181 S N 3.288 119.205 115.700 0.363 0.000 2.549 181 S HA 0.439 4.909 4.470 0.000 0.000 0.286 181 S C 1.423 176.284 174.600 0.434 0.000 1.314 181 S CA 0.200 58.627 58.200 0.378 0.000 1.062 181 S CB 0.963 64.421 63.200 0.429 0.000 0.865 181 S HN 1.762 nan 8.310 nan 0.000 0.498 182 A N 4.763 127.771 122.820 0.312 0.000 1.898 182 A HA -0.007 4.313 4.320 0.000 0.000 0.216 182 A C 2.019 179.791 177.584 0.314 0.000 1.181 182 A CA 1.518 53.714 52.037 0.265 0.000 0.620 182 A CB -0.908 18.172 19.000 0.133 0.000 0.819 182 A HN 0.958 nan 8.150 nan 0.000 0.442 183 L N -1.401 120.049 121.223 0.378 0.000 2.012 183 L HA -0.167 4.173 4.340 0.000 0.000 0.210 183 L C 2.233 179.348 176.870 0.409 0.000 1.073 183 L CA 2.570 57.662 54.840 0.420 0.000 0.748 183 L CB -0.774 41.533 42.059 0.412 0.000 0.891 183 L HN 0.659 nan 8.230 nan 0.000 0.431 184 W N -0.568 120.908 121.300 0.293 0.000 2.355 184 W HA -0.290 4.370 4.660 0.000 0.000 0.309 184 W C 2.347 179.148 176.519 0.470 0.000 1.206 184 W CA 1.961 59.505 57.345 0.331 0.000 1.284 184 W CB -0.670 28.971 29.460 0.302 0.000 1.145 184 W HN 0.291 nan 8.180 nan 0.000 0.502 185 F N 0.665 120.704 119.950 0.148 0.000 2.186 185 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 185 F C 2.060 177.798 175.800 -0.103 0.000 1.090 185 F CA 2.000 59.891 58.000 -0.182 0.000 1.307 185 F CB -0.620 38.421 39.000 0.069 0.000 1.019 185 F HN -0.169 nan 8.300 nan 0.000 0.489 186 L N -1.331 119.913 121.223 0.036 0.000 2.093 186 L HA -0.200 4.140 4.340 0.000 0.000 0.208 186 L C 2.280 179.079 176.870 -0.119 0.000 1.085 186 L CA 1.533 56.329 54.840 -0.074 0.000 0.755 186 L CB -0.954 41.088 42.059 -0.028 0.000 0.904 186 L HN 0.438 nan 8.230 nan 0.000 0.435 187 W N 0.053 121.233 121.300 -0.199 0.000 2.355 187 W HA -0.311 4.349 4.660 0.000 0.000 0.309 187 W C 2.618 178.931 176.519 -0.344 0.000 1.206 187 W CA 1.553 58.763 57.345 -0.225 0.000 1.284 187 W CB -0.666 28.695 29.460 -0.166 0.000 1.145 187 W HN 0.110 nan 8.180 nan 0.000 0.502 188 Y N 0.666 120.503 120.300 -0.771 0.000 2.114 188 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 188 Y C 2.370 177.715 175.900 -0.925 0.000 1.165 188 Y CA 3.051 60.493 58.100 -1.097 0.000 1.148 188 Y CB -0.805 36.978 38.460 -1.130 0.000 0.972 188 Y HN -0.133 nan 8.280 nan 0.000 0.504 189 V N 0.775 120.266 119.914 -0.705 0.000 2.307 189 V HA -0.292 3.828 4.120 0.000 0.000 0.245 189 V C 2.301 178.060 176.094 -0.558 0.000 1.045 189 V CA 2.231 64.191 62.300 -0.567 0.000 1.024 189 V CB -0.782 30.801 31.823 -0.400 0.000 0.651 189 V HN 0.403 nan 8.190 nan 0.000 0.449 190 K N 2.289 122.381 120.400 -0.513 0.000 2.057 190 K HA -0.262 4.058 4.320 0.000 0.000 0.207 190 K C 1.954 178.223 176.600 -0.552 0.000 1.049 190 K CA 2.312 58.338 56.287 -0.434 0.000 0.931 190 K CB -0.679 31.643 32.500 -0.296 0.000 0.714 190 K HN 0.595 nan 8.250 nan 0.000 0.440 191 Q N -0.598 118.729 119.800 -0.789 0.000 2.488 191 Q HA 0.048 4.388 4.340 0.000 0.000 0.211 191 Q C 1.099 176.585 176.000 -0.856 0.000 0.967 191 Q CA 1.148 56.486 55.803 -0.775 0.000 0.926 191 Q CB -0.528 27.578 28.738 -1.054 0.000 0.992 191 Q HN 0.328 nan 8.270 nan 0.000 0.506 192 C N 0.094 118.739 119.300 -1.092 0.000 2.754 192 C HA 0.598 5.058 4.460 0.000 0.000 0.276 192 C C 1.543 175.787 174.990 -1.242 0.000 1.264 192 C CA 0.181 58.164 59.018 -1.723 0.000 1.700 192 C CB -0.876 25.865 27.740 -1.665 0.000 1.885 192 C HN 0.836 nan 8.230 nan 0.000 0.607 193 G N 0.161 108.563 108.800 -0.663 0.000 2.157 193 G HA2 0.275 4.235 3.960 0.000 0.000 0.239 193 G HA3 0.275 4.235 3.960 0.000 0.000 0.239 193 G C 0.462 175.195 174.900 -0.277 0.000 0.982 193 G CA 0.039 44.922 45.100 -0.361 0.000 0.650 193 G HN 1.646 nan 8.290 nan 0.000 0.527 194 G N -2.186 106.422 108.800 -0.319 0.000 2.592 194 G HA2 0.337 4.297 3.960 0.000 0.000 0.684 194 G HA3 0.337 4.297 3.960 0.000 0.000 0.684 194 G C 1.012 175.833 174.900 -0.133 0.000 1.291 194 G CA 0.927 45.900 45.100 -0.211 0.000 0.891 194 G HN 1.827 nan 8.290 nan 0.000 0.544 195 T N -2.713 111.793 114.554 -0.079 0.000 2.684 195 T HA -0.141 4.209 4.350 0.000 0.000 0.267 195 T C 2.353 177.033 174.700 -0.035 0.000 1.036 195 T CA 2.997 65.089 62.100 -0.012 0.000 1.148 195 T CB -0.876 67.913 68.868 -0.131 0.000 0.863 195 T HN 0.980 nan 8.240 nan 0.000 0.436 196 T N 1.371 115.881 114.554 -0.073 0.000 2.708 196 T HA -0.058 4.292 4.350 0.000 0.000 0.266 196 T C 2.135 176.884 174.700 0.082 0.000 1.037 196 T CA 1.600 63.732 62.100 0.052 0.000 1.146 196 T CB -0.341 68.575 68.868 0.080 0.000 0.865 196 T HN 0.310 nan 8.240 nan 0.000 0.435 197 R N 0.838 121.354 120.500 0.026 0.000 2.081 197 R HA 0.118 4.458 4.340 0.000 0.000 0.235 197 R C 2.221 178.584 176.300 0.105 0.000 1.131 197 R CA 1.175 57.307 56.100 0.054 0.000 0.960 197 R CB -0.829 29.469 30.300 -0.003 0.000 0.856 197 R HN 0.468 nan 8.270 nan 0.000 0.436 198 I N 0.053 120.646 120.570 0.037 0.000 2.315 198 I HA -0.175 3.995 4.170 0.000 0.000 0.248 198 I C 1.024 177.236 176.117 0.159 0.000 1.117 198 I CA 1.239 62.592 61.300 0.088 0.000 1.404 198 I CB 0.125 38.120 38.000 -0.009 0.000 1.071 198 I HN 0.245 nan 8.210 nan 0.000 0.419 199 I N -2.285 118.392 120.570 0.179 0.000 3.883 199 I HA 0.196 4.366 4.170 0.000 0.000 0.326 199 I C 0.862 177.023 176.117 0.073 0.000 1.283 199 I CA -0.024 61.360 61.300 0.141 0.000 1.161 199 I CB -0.425 37.734 38.000 0.266 0.000 1.012 199 I HN -0.142 nan 8.210 nan 0.000 0.421 200 S N 1.082 116.826 115.700 0.073 0.000 2.584 200 S HA 0.315 4.785 4.470 0.000 0.000 0.273 200 S C 1.130 175.716 174.600 -0.023 0.000 1.311 200 S CA -0.192 58.019 58.200 0.018 0.000 1.034 200 S CB 1.424 64.626 63.200 0.003 0.000 0.939 200 S HN 0.323 nan 8.310 nan 0.000 0.513 201 T N 2.225 116.756 114.554 -0.038 0.000 2.764 201 T HA 0.023 4.373 4.350 0.000 0.000 0.243 201 T C 0.613 175.276 174.700 -0.061 0.000 1.065 201 T CA 0.672 62.733 62.100 -0.065 0.000 1.219 201 T CB -0.348 68.492 68.868 -0.046 0.000 0.918 201 T HN 0.605 nan 8.240 nan 0.000 0.409 202 T N 3.533 118.053 114.554 -0.057 0.000 2.871 202 T HA 0.093 4.443 4.350 0.000 0.000 0.296 202 T C 0.741 175.412 174.700 -0.048 0.000 0.998 202 T CA 0.419 62.487 62.100 -0.053 0.000 1.162 202 T CB -0.150 68.685 68.868 -0.055 0.000 0.947 202 T HN 0.523 nan 8.240 nan 0.000 0.536 203 N N 0.765 119.442 118.700 -0.038 0.000 2.753 203 N HA -0.150 4.590 4.740 0.000 0.000 0.251 203 N C 0.152 175.660 175.510 -0.003 0.000 1.097 203 N CA 1.462 54.500 53.050 -0.021 0.000 0.786 203 N CB -1.055 37.423 38.487 -0.015 0.000 1.137 203 N HN 0.940 nan 8.380 nan 0.000 0.566 204 G N -3.158 105.633 108.800 -0.015 0.000 3.086 204 G HA2 0.572 4.532 3.960 0.000 0.000 0.282 204 G HA3 0.572 4.532 3.960 0.000 0.000 0.282 204 G C 0.990 175.870 174.900 -0.034 0.000 1.343 204 G CA -0.040 45.074 45.100 0.023 0.000 0.895 204 G HN 0.292 nan 8.290 nan 0.000 0.557 205 G N -0.931 107.882 108.800 0.020 0.000 2.479 205 G HA2 -0.044 3.916 3.960 0.000 0.000 0.220 205 G HA3 -0.044 3.916 3.960 0.000 0.000 0.220 205 G C 1.207 176.028 174.900 -0.130 0.000 1.115 205 G CA 0.997 46.010 45.100 -0.145 0.000 0.757 205 G HN 0.416 nan 8.290 nan 0.000 0.560 206 Q N -0.433 119.290 119.800 -0.128 0.000 2.204 206 Q HA 0.272 4.612 4.340 0.000 0.000 0.209 206 Q C 1.722 177.632 176.000 -0.151 0.000 0.861 206 Q CA -0.130 55.530 55.803 -0.238 0.000 0.971 206 Q CB 0.649 29.123 28.738 -0.439 0.000 1.095 206 Q HN 0.603 nan 8.270 nan 0.000 0.486 207 E N 0.476 120.606 120.200 -0.117 0.000 2.110 207 E HA -0.098 4.252 4.350 0.000 0.000 0.193 207 E C -0.026 176.505 176.600 -0.115 0.000 0.988 207 E CA 0.834 57.172 56.400 -0.103 0.000 0.804 207 E CB 0.414 30.052 29.700 -0.104 0.000 0.745 207 E HN 0.161 nan 8.360 nan 0.000 0.458 208 R N -0.867 119.540 120.500 -0.155 0.000 2.836 208 R HA 0.419 4.759 4.340 0.000 0.000 0.269 208 R C -0.918 175.158 176.300 -0.373 0.000 1.010 208 R CA -0.767 55.158 56.100 -0.292 0.000 0.930 208 R CB 1.967 32.074 30.300 -0.321 0.000 1.218 208 R HN -0.162 nan 8.270 nan 0.000 0.473 209 K N 0.991 120.997 120.400 -0.657 0.000 2.400 209 K HA 0.417 4.737 4.320 0.000 0.000 0.246 209 K C -0.925 175.343 176.600 -0.553 0.000 0.995 209 K CA -0.783 55.128 56.287 -0.627 0.000 0.840 209 K CB 1.592 33.784 32.500 -0.514 0.000 1.293 209 K HN 0.257 nan 8.250 nan 0.000 0.445 210 F N 0.969 120.854 119.950 -0.108 0.000 2.427 210 F HA 0.112 4.639 4.527 0.000 0.000 0.352 210 F C 0.714 176.584 175.800 0.117 0.000 1.100 210 F CA -0.982 57.010 58.000 -0.014 0.000 1.191 210 F CB 1.007 39.976 39.000 -0.051 0.000 1.128 210 F HN 0.015 nan 8.300 nan 0.000 0.533 211 V N 3.768 123.900 119.914 0.363 0.000 2.493 211 V HA 0.210 4.330 4.120 0.000 0.000 0.292 211 V C 0.930 176.941 176.094 -0.139 0.000 1.016 211 V CA 1.324 63.754 62.300 0.217 0.000 1.097 211 V CB 0.085 32.009 31.823 0.168 0.000 0.947 211 V HN 1.111 nan 8.190 nan 0.000 0.479 212 G N 3.372 111.720 108.800 -0.754 0.000 2.194 212 G HA2 0.146 4.106 3.960 0.000 0.000 0.236 212 G HA3 0.146 4.106 3.960 0.000 0.000 0.236 212 G C 0.770 175.153 174.900 -0.861 0.000 0.987 212 G CA -0.101 44.264 45.100 -1.224 0.000 0.635 212 G HN 2.395 nan 8.290 nan 0.000 0.520 213 G N -1.380 107.220 108.800 -0.333 0.000 2.650 213 G HA2 0.374 4.334 3.960 0.000 0.000 0.686 213 G HA3 0.374 4.334 3.960 0.000 0.000 0.686 213 G C 0.821 175.740 174.900 0.031 0.000 1.205 213 G CA 0.880 45.971 45.100 -0.015 0.000 0.781 213 G HN 1.883 nan 8.290 nan 0.000 0.648 214 S N 0.022 115.795 115.700 0.121 0.000 2.453 214 S HA 0.121 4.591 4.470 0.000 0.000 0.231 214 S C 2.550 177.144 174.600 -0.010 0.000 1.005 214 S CA 1.675 59.948 58.200 0.120 0.000 0.949 214 S CB -0.121 63.208 63.200 0.215 0.000 0.774 214 S HN 2.194 nan 8.310 nan 0.000 0.510 215 G N 1.374 110.180 108.800 0.008 0.000 2.462 215 G HA2 -0.185 3.775 3.960 0.000 0.000 0.220 215 G HA3 -0.185 3.775 3.960 0.000 0.000 0.220 215 G C 1.453 176.329 174.900 -0.039 0.000 1.121 215 G CA 0.685 45.793 45.100 0.013 0.000 0.758 215 G HN 0.648 nan 8.290 nan 0.000 0.559 216 Q N -0.190 119.553 119.800 -0.096 0.000 2.234 216 Q HA -0.068 4.272 4.340 0.000 0.000 0.206 216 Q C 2.731 178.642 176.000 -0.150 0.000 0.980 216 Q CA 1.015 56.741 55.803 -0.128 0.000 0.869 216 Q CB -0.210 28.427 28.738 -0.170 0.000 0.912 216 Q HN 0.432 nan 8.270 nan 0.000 0.436 217 V N 0.309 120.108 119.914 -0.193 0.000 2.233 217 V HA -0.294 3.826 4.120 0.000 0.000 0.247 217 V C 2.146 178.179 176.094 -0.102 0.000 1.050 217 V CA 2.170 64.355 62.300 -0.192 0.000 1.010 217 V CB -0.592 31.099 31.823 -0.220 0.000 0.637 217 V HN 0.301 nan 8.190 nan 0.000 0.444 218 S N -0.872 114.793 115.700 -0.058 0.000 2.383 218 S HA -0.182 4.288 4.470 0.000 0.000 0.227 218 S C 1.920 176.502 174.600 -0.029 0.000 1.026 218 S CA 1.383 59.567 58.200 -0.027 0.000 0.981 218 S CB -0.240 62.966 63.200 0.010 0.000 0.818 218 S HN 0.673 nan 8.310 nan 0.000 0.472 219 E N 0.944 121.125 120.200 -0.031 0.000 2.077 219 E HA -0.076 4.274 4.350 0.000 0.000 0.193 219 E C 2.329 178.902 176.600 -0.045 0.000 0.989 219 E CA 0.854 57.236 56.400 -0.029 0.000 0.800 219 E CB -0.050 29.633 29.700 -0.028 0.000 0.746 219 E HN 0.324 nan 8.360 nan 0.000 0.452 220 R N 0.127 120.590 120.500 -0.063 0.000 2.148 220 R HA -0.010 4.330 4.340 0.000 0.000 0.223 220 R C 2.245 178.508 176.300 -0.061 0.000 1.088 220 R CA 0.702 56.763 56.100 -0.065 0.000 0.985 220 R CB -0.068 30.183 30.300 -0.081 0.000 0.880 220 R HN 0.203 nan 8.270 nan 0.000 0.451 221 I N 0.442 120.975 120.570 -0.062 0.000 2.353 221 I HA -0.266 3.904 4.170 0.000 0.000 0.248 221 I C 2.573 178.649 176.117 -0.069 0.000 1.119 221 I CA 1.036 62.299 61.300 -0.061 0.000 1.417 221 I CB -0.122 37.847 38.000 -0.053 0.000 1.078 221 I HN 0.209 nan 8.210 nan 0.000 0.421 222 M N 0.848 120.414 119.600 -0.057 0.000 2.108 222 M HA -0.255 4.225 4.480 0.000 0.000 0.261 222 M C 1.681 177.945 176.300 -0.061 0.000 1.066 222 M CA 1.974 57.240 55.300 -0.056 0.000 1.107 222 M CB -0.203 32.375 32.600 -0.036 0.000 1.356 222 M HN 0.135 nan 8.290 nan 0.000 0.406 223 D N 0.711 121.079 120.400 -0.052 0.000 2.104 223 D HA -0.169 4.471 4.640 0.000 0.000 0.194 223 D C 2.055 178.319 176.300 -0.059 0.000 0.994 223 D CA 1.495 55.467 54.000 -0.047 0.000 0.830 223 D CB -0.512 40.264 40.800 -0.040 0.000 0.959 223 D HN 0.437 nan 8.370 nan 0.000 0.452 224 L N 0.091 121.271 121.223 -0.071 0.000 2.131 224 L HA -0.101 4.239 4.340 0.000 0.000 0.210 224 L C 2.317 179.082 176.870 -0.175 0.000 1.092 224 L CA 0.585 55.373 54.840 -0.086 0.000 0.759 224 L CB -0.164 41.853 42.059 -0.071 0.000 0.903 224 L HN 0.028 nan 8.230 nan 0.000 0.435 225 L N -1.337 119.767 121.223 -0.197 0.000 2.477 225 L HA 0.176 4.516 4.340 0.000 0.000 0.220 225 L C 1.629 178.398 176.870 -0.167 0.000 1.106 225 L CA 0.367 55.036 54.840 -0.285 0.000 0.851 225 L CB -0.518 41.406 42.059 -0.226 0.000 0.994 225 L HN 0.412 nan 8.230 nan 0.000 0.462 226 G N 1.958 110.698 108.800 -0.100 0.000 2.591 226 G HA2 -0.437 3.523 3.960 0.000 0.000 0.298 226 G HA3 -0.437 3.523 3.960 0.000 0.000 0.298 226 G C 0.530 175.406 174.900 -0.040 0.000 1.195 226 G CA 0.471 45.538 45.100 -0.055 0.000 0.989 226 G HN 0.489 nan 8.290 nan 0.000 0.551 227 D N 0.943 121.330 120.400 -0.021 0.000 2.363 227 D HA 0.046 4.686 4.640 0.000 0.000 0.226 227 D C 2.069 178.367 176.300 -0.002 0.000 1.020 227 D CA 0.732 54.729 54.000 -0.005 0.000 0.892 227 D CB -0.306 40.499 40.800 0.009 0.000 0.900 227 D HN 0.621 nan 8.370 nan 0.000 0.531 228 R N -0.013 120.474 120.500 -0.022 0.000 2.189 228 R HA 0.071 4.411 4.340 0.000 0.000 0.223 228 R C 0.357 176.635 176.300 -0.037 0.000 1.092 228 R CA 0.331 56.418 56.100 -0.021 0.000 0.989 228 R CB 0.196 30.469 30.300 -0.045 0.000 0.876 228 R HN 0.080 nan 8.270 nan 0.000 0.457 229 V N 3.042 122.929 119.914 -0.045 0.000 2.432 229 V HA 0.097 4.217 4.120 0.000 0.000 0.271 229 V C -0.064 176.007 176.094 -0.038 0.000 1.046 229 V CA -0.300 61.970 62.300 -0.050 0.000 0.945 229 V CB 1.283 33.078 31.823 -0.047 0.000 0.992 229 V HN 0.060 nan 8.190 nan 0.000 0.471 230 K N 6.556 126.923 120.400 -0.056 0.000 2.334 230 K HA 0.529 4.849 4.320 0.000 0.000 0.265 230 K C -0.695 175.878 176.600 -0.046 0.000 1.039 230 K CA -0.340 55.925 56.287 -0.037 0.000 0.920 230 K CB 1.807 34.282 32.500 -0.042 0.000 1.160 230 K HN 0.498 nan 8.250 nan 0.000 0.451 231 L N 1.659 122.866 121.223 -0.027 0.000 2.418 231 L HA 0.151 4.491 4.340 0.000 0.000 0.265 231 L C 0.671 177.522 176.870 -0.032 0.000 1.143 231 L CA -0.152 54.668 54.840 -0.033 0.000 0.809 231 L CB 0.173 42.220 42.059 -0.019 0.000 1.124 231 L HN 0.702 nan 8.230 nan 0.000 0.456 232 E N 0.740 120.908 120.200 -0.054 0.000 2.389 232 E HA -0.229 4.121 4.350 0.000 0.000 0.243 232 E C -0.535 176.041 176.600 -0.040 0.000 1.154 232 E CA 0.297 56.666 56.400 -0.053 0.000 0.723 232 E CB -0.759 28.929 29.700 -0.020 0.000 1.261 232 E HN 0.365 nan 8.360 nan 0.000 0.390 233 R N 0.176 120.636 120.500 -0.067 0.000 2.651 233 R HA 0.246 4.586 4.340 0.000 0.000 0.282 233 R C -2.731 173.516 176.300 -0.088 0.000 1.565 233 R CA -1.934 54.140 56.100 -0.042 0.000 1.661 233 R CB 0.670 30.948 30.300 -0.037 0.000 1.189 233 R HN -0.026 nan 8.270 nan 0.000 0.621 234 P HA 0.024 nan 4.420 nan 0.000 0.271 234 P C -0.289 177.004 177.300 -0.013 0.000 1.233 234 P CA -0.178 62.849 63.100 -0.122 0.000 0.764 234 P CB 0.943 32.587 31.700 -0.093 0.000 0.825 235 V N 5.588 125.496 119.914 -0.009 0.000 2.572 235 V HA 0.041 4.161 4.120 0.000 0.000 0.291 235 V C 1.707 177.830 176.094 0.049 0.000 1.039 235 V CA 0.482 62.791 62.300 0.016 0.000 1.055 235 V CB 0.305 32.122 31.823 -0.010 0.000 0.969 235 V HN 0.531 nan 8.190 nan 0.000 0.482 236 I N 1.804 122.411 120.570 0.062 0.000 4.323 236 I HA 0.452 4.622 4.170 0.000 0.000 0.328 236 I C -0.023 176.178 176.117 0.139 0.000 1.310 236 I CA 0.100 61.459 61.300 0.099 0.000 1.186 236 I CB 0.580 38.617 38.000 0.061 0.000 1.130 236 I HN 0.487 nan 8.210 nan 0.000 0.411 237 Y N 1.849 122.090 120.300 -0.098 0.000 2.390 237 Y HA 0.673 5.223 4.550 -0.000 0.000 0.324 237 Y C -1.850 173.965 175.900 -0.141 0.000 1.151 237 Y CA -1.517 56.505 58.100 -0.131 0.000 1.053 237 Y CB 1.574 39.977 38.460 -0.095 0.000 1.277 237 Y HN -0.017 nan 8.280 nan 0.000 0.432 238 I N 5.849 126.019 120.570 -0.667 0.000 2.418 238 I HA 0.304 4.474 4.170 0.000 0.000 0.287 238 I C -1.239 174.489 176.117 -0.649 0.000 1.008 238 I CA -0.686 60.306 61.300 -0.513 0.000 1.104 238 I CB 1.732 39.581 38.000 -0.251 0.000 1.264 238 I HN 0.521 nan 8.210 nan 0.000 0.438 239 D N 6.078 126.164 120.400 -0.523 0.000 2.425 239 D HA 0.268 4.908 4.640 0.000 0.000 0.240 239 D C -0.229 175.996 176.300 -0.124 0.000 1.080 239 D CA -0.189 53.598 54.000 -0.355 0.000 0.836 239 D CB 1.636 42.281 40.800 -0.258 0.000 1.125 239 D HN 0.511 nan 8.370 nan 0.000 0.525 240 Q N 1.729 121.493 119.800 -0.060 0.000 2.155 240 Q HA 0.068 4.408 4.340 0.000 0.000 0.220 240 Q C 1.260 177.254 176.000 -0.010 0.000 0.819 240 Q CA 0.002 55.791 55.803 -0.023 0.000 1.032 240 Q CB 0.853 29.591 28.738 0.001 0.000 1.151 240 Q HN 0.581 nan 8.270 nan 0.000 0.487 241 T N -2.306 112.247 114.554 -0.002 0.000 2.995 241 T HA 0.041 4.391 4.350 0.000 0.000 0.269 241 T C 1.075 175.777 174.700 0.005 0.000 1.091 241 T CA 0.465 62.572 62.100 0.011 0.000 1.128 241 T CB 0.270 69.155 68.868 0.028 0.000 0.891 241 T HN 0.040 nan 8.240 nan 0.000 0.492 242 R N 0.251 120.750 120.500 -0.002 0.000 2.730 242 R HA 0.493 4.833 4.340 0.000 0.000 0.228 242 R C 1.740 178.028 176.300 -0.020 0.000 1.312 242 R CA -0.601 55.496 56.100 -0.005 0.000 1.093 242 R CB 0.512 30.812 30.300 -0.000 0.000 1.583 242 R HN 0.120 nan 8.270 nan 0.000 0.535 243 E N 0.409 120.596 120.200 -0.021 0.000 2.047 243 E HA -0.106 4.244 4.350 0.000 0.000 0.191 243 E C -0.353 176.214 176.600 -0.056 0.000 0.987 243 E CA 1.014 57.394 56.400 -0.034 0.000 0.799 243 E CB 0.194 29.878 29.700 -0.026 0.000 0.752 243 E HN 0.292 nan 8.360 nan 0.000 0.449 244 N N 0.288 118.960 118.700 -0.045 0.000 2.456 244 N HA 0.168 4.908 4.740 0.000 0.000 0.296 244 N C -0.855 174.628 175.510 -0.044 0.000 1.102 244 N CA -0.362 52.655 53.050 -0.056 0.000 0.924 244 N CB 2.046 40.512 38.487 -0.034 0.000 1.186 244 N HN -0.164 nan 8.380 nan 0.000 0.492 245 V N 2.064 121.945 119.914 -0.054 0.000 2.572 245 V HA 0.156 4.276 4.120 0.000 0.000 0.291 245 V C 0.464 176.551 176.094 -0.011 0.000 1.039 245 V CA -0.292 61.986 62.300 -0.037 0.000 1.055 245 V CB 0.055 31.858 31.823 -0.033 0.000 0.969 245 V HN 0.365 nan 8.190 nan 0.000 0.482 246 L N 5.601 126.812 121.223 -0.020 0.000 2.296 246 L HA 0.592 4.932 4.340 0.000 0.000 0.286 246 L C -0.565 176.301 176.870 -0.007 0.000 1.023 246 L CA -0.517 54.329 54.840 0.010 0.000 0.812 246 L CB 1.658 43.735 42.059 0.030 0.000 1.223 246 L HN 0.362 nan 8.230 nan 0.000 0.421 247 V N 2.654 122.607 119.914 0.066 0.000 2.407 247 V HA 0.351 4.471 4.120 0.000 0.000 0.291 247 V C -0.209 175.984 176.094 0.166 0.000 1.018 247 V CA -0.602 61.741 62.300 0.071 0.000 0.842 247 V CB 1.698 33.558 31.823 0.062 0.000 0.996 247 V HN 0.740 nan 8.190 nan 0.000 0.426 248 E N 2.883 123.175 120.200 0.154 0.000 2.191 248 E HA 0.649 4.999 4.350 0.000 0.000 0.274 248 E C -0.229 176.449 176.600 0.130 0.000 0.948 248 E CA -0.456 56.045 56.400 0.169 0.000 0.802 248 E CB 1.782 31.591 29.700 0.182 0.000 1.137 248 E HN 0.841 nan 8.360 nan 0.000 0.397 249 T N 0.942 115.576 114.554 0.134 0.000 2.952 249 T HA 0.197 4.547 4.350 0.000 0.000 0.286 249 T C 0.952 175.693 174.700 0.069 0.000 1.024 249 T CA -0.851 61.310 62.100 0.102 0.000 1.029 249 T CB 1.117 70.070 68.868 0.140 0.000 1.094 249 T HN 0.424 nan 8.240 nan 0.000 0.515 250 L N 1.633 122.898 121.223 0.070 0.000 2.079 250 L HA -0.011 4.329 4.340 0.000 0.000 0.210 250 L C 1.777 178.748 176.870 0.167 0.000 1.081 250 L CA 2.111 57.001 54.840 0.084 0.000 0.752 250 L CB -1.227 40.885 42.059 0.089 0.000 0.896 250 L HN 0.937 nan 8.230 nan 0.000 0.433 251 N N -2.623 116.171 118.700 0.157 0.000 2.413 251 N HA -0.058 4.682 4.740 0.000 0.000 0.207 251 N C 0.272 175.939 175.510 0.262 0.000 1.206 251 N CA 0.325 53.485 53.050 0.183 0.000 0.832 251 N CB -0.425 38.119 38.487 0.094 0.000 1.037 251 N HN 0.473 nan 8.380 nan 0.000 0.467 252 H N -2.539 116.544 119.070 0.023 0.000 3.642 252 H HA -0.156 4.400 4.556 -0.000 0.000 0.185 252 H C -0.751 174.579 175.328 0.003 0.000 0.992 252 H CA 0.680 56.731 56.048 0.006 0.000 1.216 252 H CB -1.269 28.487 29.762 -0.010 0.000 1.055 252 H HN 0.606 nan 8.280 nan 0.000 0.351 253 E N 0.954 121.224 120.200 0.116 0.000 2.366 253 E HA 0.340 4.690 4.350 0.000 0.000 0.266 253 E C 0.374 176.967 176.600 -0.012 0.000 1.051 253 E CA -0.226 56.185 56.400 0.018 0.000 0.884 253 E CB 0.856 30.587 29.700 0.052 0.000 1.006 253 E HN 0.044 nan 8.360 nan 0.000 0.417 254 M N 2.552 122.038 119.600 -0.191 0.000 2.311 254 M HA 0.343 4.823 4.480 0.000 0.000 0.325 254 M C -1.453 174.645 176.300 -0.336 0.000 1.061 254 M CA -0.626 54.602 55.300 -0.120 0.000 0.957 254 M CB 1.012 33.571 32.600 -0.068 0.000 1.646 254 M HN 0.483 nan 8.290 nan 0.000 0.434 255 Y N 0.560 120.870 120.300 0.016 0.000 2.409 255 Y HA 0.475 5.025 4.550 0.000 0.000 0.343 255 Y C 0.040 175.942 175.900 0.005 0.000 0.973 255 Y CA -0.684 57.422 58.100 0.010 0.000 1.064 255 Y CB 1.753 40.218 38.460 0.009 0.000 1.207 255 Y HN 0.545 nan 8.280 nan 0.000 0.452 256 E N 1.730 122.009 120.200 0.130 0.000 2.187 256 E HA 0.832 5.182 4.350 0.000 0.000 0.268 256 E C -1.357 175.284 176.600 0.068 0.000 0.896 256 E CA -0.684 55.757 56.400 0.068 0.000 0.766 256 E CB 1.466 31.183 29.700 0.027 0.000 1.142 256 E HN 0.767 nan 8.360 nan 0.000 0.408 257 A N 3.209 126.052 122.820 0.038 0.000 2.593 257 A HA 0.385 4.705 4.320 0.000 0.000 0.290 257 A C -0.058 177.503 177.584 -0.038 0.000 1.126 257 A CA -0.629 51.424 52.037 0.027 0.000 0.695 257 A CB 1.423 20.456 19.000 0.055 0.000 1.290 257 A HN 0.644 nan 8.150 nan 0.000 0.414 258 K N -0.892 119.470 120.400 -0.063 0.000 2.137 258 K HA 0.131 4.451 4.320 0.000 0.000 0.202 258 K C -0.710 175.561 176.600 -0.548 0.000 1.052 258 K CA 1.383 57.499 56.287 -0.285 0.000 0.961 258 K CB -0.032 32.333 32.500 -0.224 0.000 0.741 258 K HN 0.597 nan 8.250 nan 0.000 0.452 259 Y N -1.041 119.279 120.300 0.032 0.000 2.588 259 Y HA 0.400 4.950 4.550 0.000 0.000 0.343 259 Y C -0.637 175.286 175.900 0.038 0.000 1.065 259 Y CA -1.329 56.805 58.100 0.057 0.000 1.038 259 Y CB 1.820 40.305 38.460 0.042 0.000 1.297 259 Y HN -0.422 nan 8.280 nan 0.000 0.467 260 V N 3.221 123.270 119.914 0.225 0.000 2.656 260 V HA 0.469 4.589 4.120 0.000 0.000 0.307 260 V C -0.582 175.558 176.094 0.076 0.000 1.051 260 V CA -0.855 61.505 62.300 0.101 0.000 0.893 260 V CB 1.986 33.835 31.823 0.043 0.000 0.999 260 V HN 0.549 nan 8.190 nan 0.000 0.426 261 I N 2.994 123.581 120.570 0.028 0.000 2.339 261 I HA 0.323 4.493 4.170 0.000 0.000 0.290 261 I C 0.380 176.485 176.117 -0.020 0.000 0.994 261 I CA -0.105 61.192 61.300 -0.005 0.000 1.191 261 I CB 1.823 39.828 38.000 0.007 0.000 1.343 261 I HN 0.609 nan 8.210 nan 0.000 0.458 262 S N 5.519 121.176 115.700 -0.072 0.000 2.400 262 S HA 0.502 4.972 4.470 0.000 0.000 0.295 262 S C 0.442 175.121 174.600 0.132 0.000 1.113 262 S CA -0.476 57.752 58.200 0.048 0.000 1.064 262 S CB 0.467 63.731 63.200 0.108 0.000 0.990 262 S HN 0.716 nan 8.310 nan 0.000 0.502 263 A N 5.992 128.880 122.820 0.113 0.000 2.911 263 A HA 0.469 4.789 4.320 0.000 0.000 0.304 263 A C 0.299 177.962 177.584 0.131 0.000 1.144 263 A CA -0.702 51.408 52.037 0.121 0.000 0.988 263 A CB -0.532 18.516 19.000 0.080 0.000 1.141 263 A HN 0.916 nan 8.150 nan 0.000 0.552 264 I N -3.932 116.733 120.570 0.159 0.000 2.797 264 I HA 0.685 4.855 4.170 0.000 0.000 0.307 264 I C -2.913 173.301 176.117 0.162 0.000 1.033 264 I CA -3.123 58.269 61.300 0.154 0.000 1.071 264 I CB 1.592 39.686 38.000 0.157 0.000 1.255 264 I HN -0.152 nan 8.210 nan 0.000 0.445 265 P HA 0.129 nan 4.420 nan 0.000 0.264 265 P C -2.174 175.179 177.300 0.089 0.000 1.183 265 P CA -0.652 62.516 63.100 0.114 0.000 0.763 265 P CB -0.042 31.712 31.700 0.088 0.000 0.807 266 P HA -0.234 nan 4.420 nan 0.000 0.216 266 P C 1.619 178.902 177.300 -0.028 0.000 1.157 266 P CA 1.912 65.018 63.100 0.010 0.000 0.880 266 P CB -0.291 31.383 31.700 -0.044 0.000 0.791 267 T N -1.364 113.147 114.554 -0.072 0.000 2.915 267 T HA -0.063 4.287 4.350 0.000 0.000 0.269 267 T C 1.552 176.240 174.700 -0.020 0.000 1.071 267 T CA 0.700 62.747 62.100 -0.088 0.000 1.132 267 T CB -0.801 67.979 68.868 -0.146 0.000 0.878 267 T HN -0.040 nan 8.240 nan 0.000 0.479 268 L N 0.393 121.633 121.223 0.029 0.000 2.456 268 L HA 0.099 4.439 4.340 0.000 0.000 0.224 268 L C 2.814 179.755 176.870 0.118 0.000 1.148 268 L CA 0.829 55.713 54.840 0.074 0.000 0.825 268 L CB -0.817 41.311 42.059 0.115 0.000 0.937 268 L HN 0.364 nan 8.230 nan 0.000 0.450 269 G N -0.198 108.684 108.800 0.137 0.000 2.479 269 G HA2 -0.260 3.700 3.960 0.000 0.000 0.220 269 G HA3 -0.260 3.700 3.960 0.000 0.000 0.220 269 G C 1.599 176.640 174.900 0.235 0.000 1.115 269 G CA 0.229 45.471 45.100 0.235 0.000 0.757 269 G HN 0.140 nan 8.290 nan 0.000 0.560 270 M N 0.430 120.094 119.600 0.106 0.000 2.279 270 M HA -0.004 4.476 4.480 0.000 0.000 0.264 270 M C 2.146 178.457 176.300 0.018 0.000 1.062 270 M CA 1.015 56.344 55.300 0.048 0.000 1.099 270 M CB -0.532 32.058 32.600 -0.016 0.000 1.394 270 M HN 0.227 nan 8.290 nan 0.000 0.426 271 K N -0.047 120.386 120.400 0.054 0.000 2.504 271 K HA 0.125 4.445 4.320 0.000 0.000 0.195 271 K C 0.391 177.034 176.600 0.072 0.000 1.036 271 K CA 0.449 56.775 56.287 0.065 0.000 0.984 271 K CB 0.134 32.705 32.500 0.117 0.000 0.788 271 K HN 0.329 nan 8.250 nan 0.000 0.488 272 I N 1.121 121.694 120.570 0.005 0.000 2.377 272 I HA 0.131 4.301 4.170 0.000 0.000 0.293 272 I C 0.128 176.074 176.117 -0.286 0.000 0.987 272 I CA -0.738 60.468 61.300 -0.155 0.000 1.185 272 I CB 1.368 39.125 38.000 -0.405 0.000 1.341 272 I HN 0.029 nan 8.210 nan 0.000 0.455 273 H N 5.953 124.893 119.070 -0.218 0.000 2.527 273 H HA 0.364 4.920 4.556 -0.000 0.000 0.321 273 H C -1.126 174.072 175.328 -0.217 0.000 1.087 273 H CA -0.274 55.748 56.048 -0.044 0.000 1.337 273 H CB 1.253 31.094 29.762 0.131 0.000 1.440 273 H HN 0.325 nan 8.280 nan 0.000 0.490 274 F N 1.851 121.891 119.950 0.149 0.000 2.443 274 F HA 0.181 4.708 4.527 -0.000 0.000 0.335 274 F C 0.572 176.395 175.800 0.039 0.000 1.104 274 F CA -0.730 57.284 58.000 0.024 0.000 1.013 274 F CB 1.388 40.397 39.000 0.015 0.000 1.136 274 F HN 0.467 nan 8.300 nan 0.000 0.470 275 N N 4.162 122.925 118.700 0.105 0.000 2.480 275 N HA 0.408 5.148 4.740 0.000 0.000 0.289 275 N C -3.061 172.481 175.510 0.053 0.000 1.073 275 N CA -2.314 50.794 53.050 0.096 0.000 0.885 275 N CB 2.183 40.742 38.487 0.121 0.000 1.421 275 N HN 0.068 nan 8.380 nan 0.000 0.503 276 P HA 0.330 nan 4.420 nan 0.000 0.274 276 P C -2.650 174.716 177.300 0.111 0.000 1.256 276 P CA -1.036 62.113 63.100 0.083 0.000 0.795 276 P CB -0.354 31.376 31.700 0.050 0.000 1.038 277 P HA 0.067 nan 4.420 nan 0.000 0.268 277 P C 0.052 177.362 177.300 0.017 0.000 1.208 277 P CA 0.304 63.460 63.100 0.094 0.000 0.777 277 P CB 0.158 31.896 31.700 0.064 0.000 0.875 278 L N 3.750 124.936 121.223 -0.063 0.000 2.483 278 L HA 0.116 4.456 4.340 0.000 0.000 0.275 278 L C -1.637 175.175 176.870 -0.096 0.000 1.220 278 L CA -1.528 53.204 54.840 -0.180 0.000 0.833 278 L CB -0.692 41.167 42.059 -0.334 0.000 1.102 278 L HN 0.306 nan 8.230 nan 0.000 0.490 279 P HA -0.071 nan 4.420 nan 0.000 0.268 279 P C 0.666 177.932 177.300 -0.057 0.000 1.208 279 P CA -0.168 62.896 63.100 -0.060 0.000 0.777 279 P CB 0.441 32.104 31.700 -0.061 0.000 0.875 280 M N 1.739 121.318 119.600 -0.035 0.000 2.089 280 M HA -0.227 4.253 4.480 0.000 0.000 0.257 280 M C 1.187 177.492 176.300 0.008 0.000 1.071 280 M CA 2.364 57.654 55.300 -0.016 0.000 1.096 280 M CB -0.432 32.162 32.600 -0.010 0.000 1.330 280 M HN 0.143 nan 8.290 nan 0.000 0.403 281 M N -0.059 119.543 119.600 0.003 0.000 2.086 281 M HA -0.139 4.341 4.480 0.000 0.000 0.261 281 M C 2.356 178.701 176.300 0.075 0.000 1.067 281 M CA 1.876 57.218 55.300 0.071 0.000 1.116 281 M CB -1.440 31.142 32.600 -0.030 0.000 1.348 281 M HN 0.450 nan 8.290 nan 0.000 0.407 282 R N 0.340 120.808 120.500 -0.054 0.000 2.075 282 R HA -0.170 4.170 4.340 0.000 0.000 0.232 282 R C 2.028 178.237 176.300 -0.151 0.000 1.126 282 R CA 1.804 57.819 56.100 -0.140 0.000 0.963 282 R CB -0.250 29.914 30.300 -0.228 0.000 0.858 282 R HN 0.328 nan 8.270 nan 0.000 0.435 283 N N 0.379 119.007 118.700 -0.120 0.000 2.060 283 N HA -0.237 4.503 4.740 0.000 0.000 0.195 283 N C 1.599 177.040 175.510 -0.116 0.000 1.028 283 N CA 2.041 55.028 53.050 -0.106 0.000 0.861 283 N CB -0.003 38.446 38.487 -0.064 0.000 1.029 283 N HN 0.373 nan 8.380 nan 0.000 0.428 284 Q N -1.095 118.642 119.800 -0.105 0.000 2.163 284 Q HA -0.057 4.283 4.340 0.000 0.000 0.198 284 Q C 1.994 177.731 176.000 -0.439 0.000 0.954 284 Q CA 0.628 56.312 55.803 -0.198 0.000 0.851 284 Q CB -0.130 28.564 28.738 -0.074 0.000 0.928 284 Q HN 0.500 nan 8.270 nan 0.000 0.459 285 M N 1.691 121.029 119.600 -0.436 0.000 2.082 285 M HA -0.174 4.306 4.480 0.000 0.000 0.258 285 M C 2.061 178.125 176.300 -0.393 0.000 1.069 285 M CA 1.679 56.671 55.300 -0.513 0.000 1.102 285 M CB -0.502 31.974 32.600 -0.206 0.000 1.336 285 M HN 0.303 nan 8.290 nan 0.000 0.404 286 I N -1.582 118.822 120.570 -0.277 0.000 3.083 286 I HA -0.096 4.074 4.170 0.000 0.000 0.273 286 I C 1.512 177.496 176.117 -0.221 0.000 1.297 286 I CA 1.460 62.627 61.300 -0.221 0.000 1.452 286 I CB -1.026 36.890 38.000 -0.140 0.000 1.078 286 I HN 0.327 nan 8.210 nan 0.000 0.484 287 T N -2.572 111.829 114.554 -0.255 0.000 3.069 287 T HA 0.280 4.630 4.350 0.000 0.000 0.252 287 T C 1.532 176.061 174.700 -0.284 0.000 1.053 287 T CA -0.200 61.763 62.100 -0.229 0.000 0.964 287 T CB -0.022 68.735 68.868 -0.185 0.000 1.005 287 T HN 0.402 nan 8.240 nan 0.000 0.532 288 R N 0.898 121.171 120.500 -0.379 0.000 2.437 288 R HA 0.310 4.650 4.340 0.000 0.000 0.257 288 R C -0.040 175.943 176.300 -0.528 0.000 0.927 288 R CA 0.032 55.879 56.100 -0.422 0.000 1.078 288 R CB 1.272 31.266 30.300 -0.510 0.000 1.161 288 R HN 0.433 nan 8.270 nan 0.000 0.529 289 V N -0.393 119.187 119.914 -0.557 0.000 2.313 289 V HA 0.471 4.591 4.120 0.000 0.000 0.262 289 V C -2.647 173.081 176.094 -0.609 0.000 1.011 289 V CA -2.407 59.446 62.300 -0.746 0.000 0.858 289 V CB 0.614 31.956 31.823 -0.801 0.000 1.104 289 V HN -0.117 nan 8.190 nan 0.000 0.456 290 P HA 0.481 nan 4.420 nan 0.000 0.276 290 P C -0.609 176.353 177.300 -0.562 0.000 1.252 290 P CA -0.328 62.429 63.100 -0.572 0.000 0.802 290 P CB 1.816 33.155 31.700 -0.602 0.000 1.035 291 L N 0.472 121.544 121.223 -0.251 0.000 2.375 291 L HA 0.577 4.917 4.340 0.000 0.000 0.268 291 L C 1.498 178.408 176.870 0.066 0.000 1.058 291 L CA -0.144 54.648 54.840 -0.081 0.000 0.803 291 L CB 0.482 42.530 42.059 -0.018 0.000 1.212 291 L HN 0.470 nan 8.230 nan 0.000 0.451 292 G N -0.054 108.819 108.800 0.121 0.000 2.611 292 G HA2 0.418 4.378 3.960 0.000 0.000 0.273 292 G HA3 0.418 4.378 3.960 0.000 0.000 0.273 292 G C -0.776 174.125 174.900 0.002 0.000 1.305 292 G CA -0.385 44.760 45.100 0.075 0.000 1.010 292 G HN 0.500 nan 8.290 nan 0.000 0.509 293 S N -1.384 114.290 115.700 -0.043 0.000 2.519 293 S HA 0.596 5.066 4.470 0.000 0.000 0.309 293 S C -1.013 173.572 174.600 -0.024 0.000 1.100 293 S CA -0.507 57.692 58.200 -0.000 0.000 1.059 293 S CB 1.675 64.887 63.200 0.019 0.000 1.008 293 S HN 0.790 nan 8.310 nan 0.000 0.478 294 V N 4.822 124.773 119.914 0.061 0.000 2.924 294 V HA 0.543 4.663 4.120 0.000 0.000 0.300 294 V C -1.957 174.300 176.094 0.271 0.000 1.227 294 V CA -0.708 61.664 62.300 0.119 0.000 0.954 294 V CB 1.737 33.565 31.823 0.008 0.000 1.055 294 V HN 0.875 nan 8.190 nan 0.000 0.429 295 I N 5.428 126.169 120.570 0.284 0.000 2.362 295 I HA 0.514 4.684 4.170 0.000 0.000 0.289 295 I C -0.158 176.208 176.117 0.415 0.000 0.994 295 I CA -0.573 60.915 61.300 0.313 0.000 1.158 295 I CB 1.679 39.802 38.000 0.204 0.000 1.315 295 I HN 0.511 nan 8.210 nan 0.000 0.451 296 K N 6.021 126.707 120.400 0.477 0.000 2.248 296 K HA 0.553 4.873 4.320 0.000 0.000 0.281 296 K C -1.377 175.351 176.600 0.214 0.000 1.054 296 K CA -0.307 56.236 56.287 0.428 0.000 0.903 296 K CB 0.770 33.592 32.500 0.535 0.000 1.077 296 K HN 0.709 nan 8.250 nan 0.000 0.474 297 C N 5.327 124.711 119.300 0.139 0.000 2.408 297 C HA 0.584 5.044 4.460 0.000 0.000 0.321 297 C C -0.781 174.268 174.990 0.099 0.000 1.245 297 C CA -1.121 57.977 59.018 0.134 0.000 1.523 297 C CB 0.013 27.944 27.740 0.318 0.000 2.178 297 C HN 0.731 nan 8.230 nan 0.000 0.488 298 I N 2.844 123.439 120.570 0.043 0.000 2.439 298 I HA 0.418 4.588 4.170 0.000 0.000 0.285 298 I C -0.289 175.857 176.117 0.048 0.000 1.021 298 I CA -0.130 61.148 61.300 -0.037 0.000 1.091 298 I CB 1.456 39.371 38.000 -0.142 0.000 1.242 298 I HN 0.369 nan 8.210 nan 0.000 0.439 299 V N 6.679 126.618 119.914 0.043 0.000 2.394 299 V HA 0.380 4.500 4.120 0.000 0.000 0.282 299 V C -0.637 175.301 176.094 -0.259 0.000 1.031 299 V CA -0.675 61.663 62.300 0.062 0.000 0.881 299 V CB 0.901 32.795 31.823 0.119 0.000 0.982 299 V HN 0.405 nan 8.190 nan 0.000 0.451 300 Y N 4.081 124.333 120.300 -0.081 0.000 2.361 300 Y HA 0.654 5.204 4.550 -0.000 0.000 0.332 300 Y C -0.254 175.510 175.900 -0.227 0.000 1.101 300 Y CA -0.402 57.693 58.100 -0.008 0.000 1.137 300 Y CB 1.320 39.879 38.460 0.165 0.000 1.207 300 Y HN 0.528 nan 8.280 nan 0.000 0.463 301 Y N 0.084 120.640 120.300 0.427 0.000 2.605 301 Y HA 0.290 4.840 4.550 0.000 0.000 0.343 301 Y C 1.165 177.219 175.900 0.256 0.000 1.036 301 Y CA -1.366 56.958 58.100 0.374 0.000 1.065 301 Y CB 1.909 40.686 38.460 0.528 0.000 1.288 301 Y HN 0.507 nan 8.280 nan 0.000 0.481 302 K N 0.454 121.078 120.400 0.374 0.000 2.063 302 K HA -0.088 4.232 4.320 0.000 0.000 0.208 302 K C -0.522 176.154 176.600 0.126 0.000 1.048 302 K CA 1.713 58.113 56.287 0.189 0.000 0.928 302 K CB 0.191 32.776 32.500 0.141 0.000 0.713 302 K HN 0.744 nan 8.250 nan 0.000 0.442 303 E N -0.873 119.418 120.200 0.151 0.000 2.408 303 E HA 0.210 4.560 4.350 0.000 0.000 0.275 303 E C -2.672 173.794 176.600 -0.223 0.000 0.935 303 E CA -2.278 54.115 56.400 -0.012 0.000 0.775 303 E CB 2.288 31.973 29.700 -0.025 0.000 1.277 303 E HN -0.038 nan 8.360 nan 0.000 0.455 304 P HA 0.032 nan 4.420 nan 0.000 0.230 304 P C 0.230 176.617 177.300 -1.522 0.000 1.791 304 P CA -0.010 62.151 63.100 -1.565 0.000 1.020 304 P CB -0.890 30.206 31.700 -1.008 0.000 1.977 305 F N -0.027 119.397 119.950 -0.877 0.000 2.250 305 F HA -0.122 4.405 4.527 0.000 0.000 0.301 305 F C 1.771 177.417 175.800 -0.256 0.000 1.077 305 F CA -0.001 57.758 58.000 -0.401 0.000 1.348 305 F CB -1.766 37.122 39.000 -0.187 0.000 1.040 305 F HN 0.129 nan 8.300 nan 0.000 0.509 306 W N 1.311 122.327 121.300 -0.473 0.000 2.350 306 W HA 0.005 4.665 4.660 0.000 0.000 0.289 306 W C 2.084 178.570 176.519 -0.056 0.000 1.215 306 W CA 0.945 58.200 57.345 -0.149 0.000 1.236 306 W CB -1.140 28.164 29.460 -0.261 0.000 1.130 306 W HN -0.136 nan 8.180 nan 0.000 0.541 307 R N 1.094 121.396 120.500 -0.330 0.000 2.096 307 R HA -0.100 4.240 4.340 0.000 0.000 0.235 307 R C 2.028 178.248 176.300 -0.134 0.000 1.127 307 R CA 1.824 57.819 56.100 -0.174 0.000 0.968 307 R CB -0.405 29.727 30.300 -0.279 0.000 0.861 307 R HN 0.258 nan 8.270 nan 0.000 0.440 308 K N 0.487 120.801 120.400 -0.143 0.000 2.283 308 K HA -0.087 4.233 4.320 0.000 0.000 0.202 308 K C 1.353 177.884 176.600 -0.115 0.000 1.048 308 K CA 0.995 57.221 56.287 -0.101 0.000 0.948 308 K CB 0.138 32.597 32.500 -0.068 0.000 0.742 308 K HN 0.046 nan 8.250 nan 0.000 0.458 309 K N 0.787 121.094 120.400 -0.155 0.000 2.437 309 K HA -0.030 4.290 4.320 0.000 0.000 0.198 309 K C -0.535 175.726 176.600 -0.566 0.000 1.024 309 K CA 0.112 56.196 56.287 -0.339 0.000 1.148 309 K CB 0.324 32.600 32.500 -0.374 0.000 0.860 309 K HN 0.020 nan 8.250 nan 0.000 0.515 310 D N 0.295 120.515 120.400 -0.299 0.000 2.746 310 D HA -0.223 4.417 4.640 0.000 0.000 0.236 310 D C -1.432 174.781 176.300 -0.146 0.000 1.129 310 D CA 0.931 54.812 54.000 -0.199 0.000 0.691 310 D CB -1.373 39.329 40.800 -0.163 0.000 1.077 310 D HN 0.341 nan 8.370 nan 0.000 0.432 311 Y N -0.839 119.496 120.300 0.058 0.000 2.364 311 Y HA 0.309 4.859 4.550 0.000 0.000 0.340 311 Y C 2.018 178.001 175.900 0.139 0.000 0.975 311 Y CA -0.974 57.164 58.100 0.062 0.000 1.089 311 Y CB 1.288 39.798 38.460 0.083 0.000 1.192 311 Y HN 0.249 nan 8.280 nan 0.000 0.454 312 C N -0.822 118.602 119.300 0.207 0.000 2.468 312 C HA 0.406 4.866 4.460 0.000 0.000 0.277 312 C C 1.749 176.823 174.990 0.140 0.000 1.400 312 C CA 0.689 59.807 59.018 0.167 0.000 1.770 312 C CB -0.951 26.812 27.740 0.039 0.000 1.905 312 C HN 1.226 nan 8.230 nan 0.000 0.519 313 G N -0.446 108.278 108.800 -0.127 0.000 2.255 313 G HA2 -0.126 3.834 3.960 0.000 0.000 0.196 313 G HA3 -0.126 3.834 3.960 0.000 0.000 0.196 313 G C 0.046 174.657 174.900 -0.481 0.000 0.998 313 G CA 0.165 44.883 45.100 -0.638 0.000 0.656 313 G HN 0.555 nan 8.290 nan 0.000 0.490 314 T N 2.499 116.868 114.554 -0.309 0.000 2.779 314 T HA 0.606 4.956 4.350 0.000 0.000 0.296 314 T C 0.316 174.786 174.700 -0.383 0.000 0.938 314 T CA 0.614 62.514 62.100 -0.334 0.000 1.119 314 T CB 0.688 69.402 68.868 -0.257 0.000 0.891 314 T HN 0.294 nan 8.240 nan 0.000 0.526 315 M N 4.258 123.601 119.600 -0.428 0.000 2.259 315 M HA 0.487 4.967 4.480 0.000 0.000 0.304 315 M C -0.769 175.334 176.300 -0.328 0.000 1.019 315 M CA -0.571 54.549 55.300 -0.300 0.000 0.922 315 M CB 2.100 34.553 32.600 -0.246 0.000 1.600 315 M HN 0.400 nan 8.290 nan 0.000 0.433 316 I N 4.802 125.300 120.570 -0.120 0.000 2.328 316 I HA 0.422 4.592 4.170 0.000 0.000 0.287 316 I C -0.793 175.490 176.117 0.276 0.000 1.012 316 I CA -0.363 60.964 61.300 0.044 0.000 1.195 316 I CB 0.779 38.865 38.000 0.144 0.000 1.350 316 I HN 0.614 nan 8.210 nan 0.000 0.464 317 I N 5.498 126.214 120.570 0.243 0.000 2.382 317 I HA 0.268 4.438 4.170 0.000 0.000 0.285 317 I C -0.410 175.867 176.117 0.267 0.000 1.007 317 I CA -0.682 60.776 61.300 0.263 0.000 1.142 317 I CB 0.966 39.066 38.000 0.167 0.000 1.289 317 I HN 0.418 nan 8.210 nan 0.000 0.453 318 D N 5.083 125.647 120.400 0.272 0.000 2.362 318 D HA 0.544 5.184 4.640 0.000 0.000 0.242 318 D C 0.528 176.935 176.300 0.179 0.000 1.132 318 D CA 0.655 54.784 54.000 0.216 0.000 0.907 318 D CB 1.572 42.470 40.800 0.163 0.000 1.195 318 D HN 0.845 nan 8.370 nan 0.000 0.429 319 G N 1.060 109.949 108.800 0.148 0.000 2.617 319 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 319 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 319 G C 0.480 175.454 174.900 0.123 0.000 1.214 319 G CA -0.152 45.022 45.100 0.123 0.000 0.796 319 G HN 0.385 nan 8.290 nan 0.000 0.654 320 E N 0.219 120.486 120.200 0.112 0.000 2.150 320 E HA -0.017 4.333 4.350 0.000 0.000 0.193 320 E C 2.185 178.849 176.600 0.106 0.000 0.985 320 E CA 2.376 58.852 56.400 0.128 0.000 0.814 320 E CB -0.043 29.727 29.700 0.116 0.000 0.752 320 E HN 0.645 nan 8.360 nan 0.000 0.466 321 E N 0.640 120.893 120.200 0.087 0.000 2.106 321 E HA 0.022 4.372 4.350 0.000 0.000 0.192 321 E C 0.512 177.144 176.600 0.055 0.000 0.984 321 E CA 0.979 57.419 56.400 0.067 0.000 0.806 321 E CB -0.460 29.278 29.700 0.063 0.000 0.750 321 E HN 0.290 nan 8.360 nan 0.000 0.458 322 A N 2.635 125.497 122.820 0.071 0.000 2.484 322 A HA 0.130 4.450 4.320 0.000 0.000 0.268 322 A C -1.388 176.225 177.584 0.048 0.000 1.114 322 A CA -1.075 50.997 52.037 0.058 0.000 0.780 322 A CB 0.071 19.128 19.000 0.094 0.000 1.061 322 A HN 0.008 nan 8.150 nan 0.000 0.505 323 P HA -0.049 nan 4.420 nan 0.000 0.220 323 P C 0.209 177.545 177.300 0.061 0.000 1.148 323 P CA 1.037 64.147 63.100 0.017 0.000 0.803 323 P CB 0.112 31.803 31.700 -0.015 0.000 0.782 324 V N -0.566 119.405 119.914 0.095 0.000 2.656 324 V HA 0.519 4.639 4.120 0.000 0.000 0.307 324 V C 0.878 177.086 176.094 0.189 0.000 1.051 324 V CA -0.161 62.240 62.300 0.169 0.000 0.893 324 V CB 1.751 33.702 31.823 0.213 0.000 0.999 324 V HN -0.067 nan 8.190 nan 0.000 0.426 325 A N 4.099 127.060 122.820 0.234 0.000 2.167 325 A HA 0.381 4.701 4.320 0.000 0.000 0.208 325 A C 0.097 177.869 177.584 0.314 0.000 1.198 325 A CA 0.462 52.651 52.037 0.255 0.000 0.863 325 A CB 0.271 19.424 19.000 0.255 0.000 0.904 325 A HN 0.731 nan 8.150 nan 0.000 0.484 326 Y N 0.327 120.742 120.300 0.191 0.000 2.433 326 Y HA 0.463 5.013 4.550 0.000 0.000 0.337 326 Y C -0.187 175.758 175.900 0.076 0.000 1.026 326 Y CA -0.355 57.836 58.100 0.152 0.000 1.037 326 Y CB 1.766 40.342 38.460 0.193 0.000 1.245 326 Y HN 0.136 nan 8.280 nan 0.000 0.443 327 T N 3.492 118.047 114.554 0.002 0.000 2.930 327 T HA 0.844 5.194 4.350 0.000 0.000 0.290 327 T C -1.249 173.402 174.700 -0.082 0.000 1.052 327 T CA -0.826 61.225 62.100 -0.082 0.000 1.017 327 T CB 1.917 70.588 68.868 -0.327 0.000 1.137 327 T HN 0.554 nan 8.240 nan 0.000 0.511 328 L N 0.921 122.076 121.223 -0.113 0.000 2.409 328 L HA 0.462 4.802 4.340 0.000 0.000 0.262 328 L C -0.536 176.236 176.870 -0.164 0.000 0.992 328 L CA -1.266 53.516 54.840 -0.097 0.000 0.817 328 L CB 2.233 44.285 42.059 -0.012 0.000 1.350 328 L HN 0.739 nan 8.230 nan 0.000 0.411 329 D N 1.112 121.427 120.400 -0.142 0.000 2.487 329 D HA -0.066 4.574 4.640 0.000 0.000 0.243 329 D C -0.277 176.069 176.300 0.077 0.000 1.154 329 D CA 0.679 54.650 54.000 -0.050 0.000 0.876 329 D CB 1.135 42.018 40.800 0.137 0.000 1.161 329 D HN 0.524 nan 8.370 nan 0.000 0.478 330 D N 1.895 122.337 120.400 0.070 0.000 2.501 330 D HA 0.070 4.710 4.640 0.000 0.000 0.224 330 D C -0.356 176.029 176.300 0.141 0.000 1.202 330 D CA -0.184 53.876 54.000 0.099 0.000 0.829 330 D CB 0.397 41.192 40.800 -0.008 0.000 1.023 330 D HN 0.213 nan 8.370 nan 0.000 0.499 331 T N 1.586 116.266 114.554 0.209 0.000 2.946 331 T HA 0.013 4.363 4.350 0.000 0.000 0.311 331 T C 0.538 175.312 174.700 0.123 0.000 1.063 331 T CA -0.032 62.185 62.100 0.196 0.000 1.139 331 T CB 0.776 69.768 68.868 0.206 0.000 0.994 331 T HN -0.022 nan 8.240 nan 0.000 0.547 332 K N 4.053 124.485 120.400 0.053 0.000 2.380 332 K HA 0.055 4.375 4.320 0.000 0.000 0.267 332 K C -1.410 175.076 176.600 -0.190 0.000 0.990 332 K CA -1.551 54.666 56.287 -0.117 0.000 0.946 332 K CB 0.125 32.586 32.500 -0.065 0.000 0.937 332 K HN 0.360 nan 8.250 nan 0.000 0.491 333 P HA -0.134 nan 4.420 nan 0.000 0.221 333 P C 0.294 177.523 177.300 -0.119 0.000 1.145 333 P CA 1.347 64.243 63.100 -0.340 0.000 0.795 333 P CB 0.302 31.692 31.700 -0.517 0.000 0.775 334 E N -0.956 119.193 120.200 -0.084 0.000 2.482 334 E HA 0.161 4.511 4.350 0.000 0.000 0.196 334 E C 1.554 178.148 176.600 -0.010 0.000 1.047 334 E CA 0.873 57.259 56.400 -0.022 0.000 0.869 334 E CB -0.769 28.939 29.700 0.013 0.000 0.836 334 E HN 0.287 nan 8.360 nan 0.000 0.520 335 G N 0.885 109.681 108.800 -0.008 0.000 2.175 335 G HA2 -0.287 3.673 3.960 0.000 0.000 0.244 335 G HA3 -0.287 3.673 3.960 0.000 0.000 0.244 335 G C 0.088 174.986 174.900 -0.003 0.000 0.982 335 G CA 0.313 45.407 45.100 -0.010 0.000 0.641 335 G HN 0.367 nan 8.290 nan 0.000 0.527 336 N N -0.792 117.929 118.700 0.036 0.000 2.563 336 N HA 0.536 5.276 4.740 0.000 0.000 0.288 336 N C 0.486 176.102 175.510 0.177 0.000 1.246 336 N CA -0.959 52.101 53.050 0.017 0.000 0.946 336 N CB 0.069 38.502 38.487 -0.089 0.000 1.213 336 N HN 0.600 nan 8.380 nan 0.000 0.578 337 Y N -2.452 117.881 120.300 0.056 0.000 3.037 337 Y HA -0.167 4.383 4.550 0.000 0.000 0.204 337 Y C 0.613 176.650 175.900 0.230 0.000 1.275 337 Y CA 0.323 58.509 58.100 0.143 0.000 1.066 337 Y CB -2.336 36.174 38.460 0.084 0.000 1.305 337 Y HN 0.746 nan 8.280 nan 0.000 0.499 338 A N 0.351 123.339 122.820 0.279 0.000 2.567 338 A HA 0.550 4.870 4.320 0.000 0.000 0.240 338 A C 0.735 178.570 177.584 0.419 0.000 1.053 338 A CA 0.618 52.832 52.037 0.296 0.000 0.755 338 A CB 0.080 19.176 19.000 0.160 0.000 0.978 338 A HN 1.467 nan 8.150 nan 0.000 0.507 339 A N 2.589 125.652 122.820 0.404 0.000 2.604 339 A HA 0.665 4.985 4.320 0.000 0.000 0.295 339 A C -0.945 176.639 177.584 0.001 0.000 1.067 339 A CA -0.526 51.559 52.037 0.081 0.000 0.683 339 A CB 1.051 19.794 19.000 -0.428 0.000 1.281 339 A HN 0.714 nan 8.150 nan 0.000 0.407 340 I N 2.383 122.853 120.570 -0.167 0.000 2.406 340 I HA 0.376 4.546 4.170 0.000 0.000 0.290 340 I C -0.342 175.648 176.117 -0.211 0.000 0.999 340 I CA -0.363 60.722 61.300 -0.358 0.000 1.124 340 I CB 1.690 39.313 38.000 -0.628 0.000 1.289 340 I HN 0.722 nan 8.210 nan 0.000 0.441 341 M N 5.401 124.884 119.600 -0.194 0.000 2.209 341 M HA 0.643 5.123 4.480 0.000 0.000 0.355 341 M C -0.365 175.843 176.300 -0.153 0.000 1.171 341 M CA -0.172 55.043 55.300 -0.142 0.000 1.069 341 M CB 1.333 33.866 32.600 -0.111 0.000 1.622 341 M HN 0.725 nan 8.290 nan 0.000 0.459 342 G N 4.173 112.912 108.800 -0.102 0.000 2.659 342 G HA2 0.680 4.640 3.960 0.000 0.000 0.296 342 G HA3 0.680 4.640 3.960 0.000 0.000 0.296 342 G C -2.010 172.836 174.900 -0.089 0.000 1.369 342 G CA -0.549 44.527 45.100 -0.041 0.000 0.937 342 G HN 0.639 nan 8.290 nan 0.000 0.485 343 F N 0.738 120.826 119.950 0.231 0.000 2.427 343 F HA 0.476 5.003 4.527 0.000 0.000 0.346 343 F C 0.601 176.505 175.800 0.173 0.000 1.120 343 F CA -0.712 57.421 58.000 0.221 0.000 1.033 343 F CB 2.010 41.162 39.000 0.253 0.000 1.126 343 F HN 0.060 nan 8.300 nan 0.000 0.462 344 I N 5.503 126.278 120.570 0.342 0.000 2.312 344 I HA 0.263 4.433 4.170 0.000 0.000 0.291 344 I C -0.636 175.572 176.117 0.153 0.000 1.031 344 I CA -0.245 61.174 61.300 0.198 0.000 1.293 344 I CB 0.649 38.736 38.000 0.144 0.000 1.403 344 I HN 0.400 nan 8.210 nan 0.000 0.484 345 L N 6.247 127.518 121.223 0.081 0.000 2.334 345 L HA 0.754 5.094 4.340 0.000 0.000 0.273 345 L C 0.896 177.734 176.870 -0.053 0.000 1.013 345 L CA -0.289 54.559 54.840 0.015 0.000 0.816 345 L CB 1.596 43.672 42.059 0.028 0.000 1.278 345 L HN 0.874 nan 8.230 nan 0.000 0.431 346 A N 1.803 124.585 122.820 -0.064 0.000 5.308 346 A HA -0.365 3.955 4.320 0.000 0.000 0.321 346 A C 1.693 179.270 177.584 -0.013 0.000 1.849 346 A CA 1.638 53.646 52.037 -0.049 0.000 0.713 346 A CB -1.651 17.320 19.000 -0.049 0.000 1.360 346 A HN 1.112 nan 8.150 nan 0.000 0.384 347 H N 0.904 119.968 119.070 -0.010 0.000 2.456 347 H HA -0.027 4.529 4.556 -0.000 0.000 0.296 347 H C 1.697 177.045 175.328 0.032 0.000 1.079 347 H CA 1.853 57.912 56.048 0.018 0.000 1.322 347 H CB -0.356 29.425 29.762 0.032 0.000 1.388 347 H HN 0.731 nan 8.280 nan 0.000 0.538 348 K N 0.688 120.728 120.400 -0.600 0.000 2.155 348 K HA 0.067 4.387 4.320 0.000 0.000 0.203 348 K C 2.590 179.128 176.600 -0.104 0.000 1.052 348 K CA 0.857 56.930 56.287 -0.357 0.000 0.948 348 K CB 0.044 32.348 32.500 -0.326 0.000 0.728 348 K HN 0.323 nan 8.250 nan 0.000 0.448 349 A N 1.537 124.324 122.820 -0.054 0.000 1.902 349 A HA -0.184 4.136 4.320 0.000 0.000 0.217 349 A C 2.092 179.692 177.584 0.026 0.000 1.181 349 A CA 1.428 53.476 52.037 0.019 0.000 0.623 349 A CB -0.337 18.688 19.000 0.043 0.000 0.818 349 A HN 0.118 nan 8.150 nan 0.000 0.443 350 R N -0.234 120.281 120.500 0.025 0.000 2.070 350 R HA -0.108 4.232 4.340 0.000 0.000 0.233 350 R C 2.365 178.689 176.300 0.039 0.000 1.137 350 R CA 1.954 58.079 56.100 0.041 0.000 0.945 350 R CB -0.318 30.019 30.300 0.062 0.000 0.845 350 R HN 0.642 nan 8.270 nan 0.000 0.430 351 K N 0.482 120.905 120.400 0.037 0.000 2.002 351 K HA -0.107 4.213 4.320 0.000 0.000 0.209 351 K C 1.689 178.305 176.600 0.027 0.000 1.048 351 K CA 1.420 57.731 56.287 0.041 0.000 0.930 351 K CB -0.064 32.468 32.500 0.054 0.000 0.714 351 K HN 0.155 nan 8.250 nan 0.000 0.438 352 L N 0.425 121.658 121.223 0.017 0.000 2.492 352 L HA 0.055 4.395 4.340 0.000 0.000 0.223 352 L C 2.320 179.210 176.870 0.033 0.000 1.132 352 L CA 0.343 55.196 54.840 0.022 0.000 0.850 352 L CB -0.210 41.860 42.059 0.018 0.000 0.966 352 L HN 0.240 nan 8.230 nan 0.000 0.454 353 A N 0.477 123.318 122.820 0.035 0.000 2.070 353 A HA -0.156 4.164 4.320 0.000 0.000 0.220 353 A C 2.329 179.931 177.584 0.029 0.000 1.159 353 A CA 1.054 53.114 52.037 0.037 0.000 0.656 353 A CB -0.366 18.656 19.000 0.036 0.000 0.800 353 A HN 0.354 nan 8.150 nan 0.000 0.453 354 R N -0.733 119.782 120.500 0.026 0.000 2.237 354 R HA 0.103 4.443 4.340 0.000 0.000 0.219 354 R C 0.116 176.428 176.300 0.020 0.000 1.080 354 R CA 0.198 56.311 56.100 0.021 0.000 0.995 354 R CB -0.375 29.937 30.300 0.021 0.000 0.875 354 R HN 0.441 nan 8.270 nan 0.000 0.462 355 L N 0.469 121.705 121.223 0.022 0.000 2.454 355 L HA 0.156 4.496 4.340 0.000 0.000 0.256 355 L C 1.035 177.919 176.870 0.024 0.000 1.136 355 L CA -0.640 54.211 54.840 0.019 0.000 0.804 355 L CB 0.718 42.786 42.059 0.014 0.000 1.181 355 L HN 0.085 nan 8.230 nan 0.000 0.469 356 T N -2.836 111.731 114.554 0.021 0.000 2.828 356 T HA 0.087 4.437 4.350 0.000 0.000 0.290 356 T C 0.924 175.652 174.700 0.047 0.000 1.019 356 T CA -0.577 61.540 62.100 0.029 0.000 1.031 356 T CB 1.132 70.012 68.868 0.021 0.000 1.001 356 T HN 0.679 nan 8.240 nan 0.000 0.531 357 K N 0.396 120.840 120.400 0.073 0.000 2.074 357 K HA -0.221 4.099 4.320 0.000 0.000 0.209 357 K C 1.933 178.588 176.600 0.092 0.000 1.048 357 K CA 2.000 58.374 56.287 0.146 0.000 0.926 357 K CB -0.224 32.369 32.500 0.155 0.000 0.713 357 K HN 0.705 nan 8.250 nan 0.000 0.444 358 E N 0.718 120.939 120.200 0.035 0.000 2.077 358 E HA -0.152 4.198 4.350 0.000 0.000 0.193 358 E C 1.837 178.398 176.600 -0.065 0.000 0.989 358 E CA 1.455 57.841 56.400 -0.023 0.000 0.800 358 E CB 0.019 29.717 29.700 -0.005 0.000 0.746 358 E HN 0.405 nan 8.360 nan 0.000 0.452 359 E N 0.141 120.319 120.200 -0.036 0.000 2.106 359 E HA -0.118 4.232 4.350 0.000 0.000 0.192 359 E C 2.142 178.699 176.600 -0.072 0.000 0.984 359 E CA 0.648 57.022 56.400 -0.044 0.000 0.806 359 E CB -0.016 29.674 29.700 -0.018 0.000 0.750 359 E HN 0.121 nan 8.360 nan 0.000 0.458 360 R N 0.335 120.798 120.500 -0.061 0.000 2.075 360 R HA -0.134 4.206 4.340 0.000 0.000 0.232 360 R C 2.496 178.648 176.300 -0.247 0.000 1.126 360 R CA 0.857 56.910 56.100 -0.080 0.000 0.963 360 R CB -0.369 29.955 30.300 0.039 0.000 0.858 360 R HN 0.125 nan 8.270 nan 0.000 0.435 361 L N 1.769 122.722 121.223 -0.449 0.000 2.012 361 L HA -0.222 4.118 4.340 0.000 0.000 0.210 361 L C 2.199 178.850 176.870 -0.364 0.000 1.073 361 L CA 1.918 56.332 54.840 -0.710 0.000 0.748 361 L CB -0.454 41.132 42.059 -0.790 0.000 0.891 361 L HN 0.001 nan 8.230 nan 0.000 0.431 362 K N -0.482 119.782 120.400 -0.227 0.000 2.032 362 K HA -0.234 4.086 4.320 0.000 0.000 0.209 362 K C 2.191 178.703 176.600 -0.146 0.000 1.048 362 K CA 1.880 58.081 56.287 -0.143 0.000 0.927 362 K CB -0.103 32.343 32.500 -0.091 0.000 0.712 362 K HN 0.354 nan 8.250 nan 0.000 0.441 363 K N 0.158 120.468 120.400 -0.150 0.000 2.057 363 K HA -0.157 4.163 4.320 0.000 0.000 0.207 363 K C 2.088 178.548 176.600 -0.234 0.000 1.049 363 K CA 1.090 57.290 56.287 -0.144 0.000 0.931 363 K CB -0.107 32.331 32.500 -0.105 0.000 0.714 363 K HN 0.055 nan 8.250 nan 0.000 0.440 364 L N 0.875 121.902 121.223 -0.326 0.000 2.027 364 L HA -0.197 4.143 4.340 0.000 0.000 0.206 364 L C 2.456 178.869 176.870 -0.762 0.000 1.074 364 L CA 1.529 56.003 54.840 -0.611 0.000 0.745 364 L CB -0.847 40.899 42.059 -0.521 0.000 0.898 364 L HN 0.231 nan 8.230 nan 0.000 0.433 365 C N -0.732 118.357 119.300 -0.352 0.000 2.429 365 C HA -0.145 4.315 4.460 0.000 0.000 0.277 365 C C 2.637 177.597 174.990 -0.050 0.000 1.262 365 C CA 0.503 59.473 59.018 -0.081 0.000 1.733 365 C CB -0.723 27.029 27.740 0.021 0.000 2.010 365 C HN 0.546 nan 8.230 nan 0.000 0.483 366 E N 0.308 120.450 120.200 -0.097 0.000 2.106 366 E HA -0.207 4.143 4.350 0.000 0.000 0.192 366 E C 1.988 178.551 176.600 -0.062 0.000 0.984 366 E CA 0.900 57.267 56.400 -0.055 0.000 0.806 366 E CB -0.249 29.419 29.700 -0.054 0.000 0.750 366 E HN 0.532 nan 8.360 nan 0.000 0.458 367 L N 0.291 121.431 121.223 -0.138 0.000 2.017 367 L HA -0.200 4.140 4.340 0.000 0.000 0.208 367 L C 2.014 178.881 176.870 -0.004 0.000 1.073 367 L CA 1.722 56.490 54.840 -0.120 0.000 0.745 367 L CB -0.544 41.406 42.059 -0.182 0.000 0.894 367 L HN 0.190 nan 8.230 nan 0.000 0.432 368 Y N -0.728 119.556 120.300 -0.028 0.000 2.224 368 Y HA -0.228 4.322 4.550 -0.000 0.000 0.289 368 Y C 2.547 178.452 175.900 0.008 0.000 1.146 368 Y CA 0.291 58.380 58.100 -0.020 0.000 1.182 368 Y CB -0.515 37.978 38.460 0.054 0.000 0.983 368 Y HN 0.389 nan 8.280 nan 0.000 0.524 369 A N 0.525 123.450 122.820 0.175 0.000 1.908 369 A HA -0.229 4.091 4.320 0.000 0.000 0.218 369 A C 2.137 179.760 177.584 0.064 0.000 1.181 369 A CA 1.829 53.929 52.037 0.107 0.000 0.627 369 A CB -0.558 18.479 19.000 0.061 0.000 0.818 369 A HN 0.359 nan 8.150 nan 0.000 0.445 370 K N -0.571 119.845 120.400 0.026 0.000 2.002 370 K HA -0.093 4.227 4.320 0.000 0.000 0.209 370 K C 1.922 178.503 176.600 -0.032 0.000 1.048 370 K CA 1.664 57.951 56.287 0.000 0.000 0.930 370 K CB -0.304 32.176 32.500 -0.034 0.000 0.714 370 K HN 0.293 nan 8.250 nan 0.000 0.438 371 V N 1.468 121.300 119.914 -0.137 0.000 2.358 371 V HA -0.205 3.915 4.120 0.000 0.000 0.246 371 V C 2.055 178.085 176.094 -0.105 0.000 1.047 371 V CA 1.493 63.665 62.300 -0.214 0.000 1.035 371 V CB -0.310 31.339 31.823 -0.291 0.000 0.658 371 V HN 0.291 nan 8.190 nan 0.000 0.452 372 L N 0.422 121.622 121.223 -0.038 0.000 2.558 372 L HA 0.292 4.632 4.340 0.000 0.000 0.225 372 L C 1.665 178.650 176.870 0.191 0.000 1.128 372 L CA 0.718 55.572 54.840 0.024 0.000 0.868 372 L CB -0.666 41.504 42.059 0.185 0.000 1.006 372 L HN 0.540 nan 8.230 nan 0.000 0.454 373 G N 0.734 109.607 108.800 0.123 0.000 2.323 373 G HA2 -0.264 3.696 3.960 0.000 0.000 0.292 373 G HA3 -0.264 3.696 3.960 0.000 0.000 0.292 373 G C -0.037 174.937 174.900 0.123 0.000 1.040 373 G CA 0.498 45.672 45.100 0.123 0.000 0.942 373 G HN 0.344 nan 8.290 nan 0.000 0.506 374 S N -0.820 114.946 115.700 0.110 0.000 2.672 374 S HA 0.473 4.943 4.470 0.000 0.000 0.291 374 S C 1.229 175.793 174.600 -0.061 0.000 1.145 374 S CA -0.754 57.469 58.200 0.038 0.000 1.013 374 S CB 1.729 64.998 63.200 0.115 0.000 1.017 374 S HN 0.245 nan 8.310 nan 0.000 0.487 375 L N 2.011 123.180 121.223 -0.089 0.000 2.265 375 L HA -0.115 4.225 4.340 0.000 0.000 0.215 375 L C 2.178 178.937 176.870 -0.184 0.000 1.117 375 L CA 1.250 56.032 54.840 -0.096 0.000 0.782 375 L CB -0.384 41.634 42.059 -0.068 0.000 0.914 375 L HN 0.686 nan 8.230 nan 0.000 0.441 376 E N 0.408 120.368 120.200 -0.399 0.000 2.204 376 E HA -0.200 4.150 4.350 0.000 0.000 0.195 376 E C 2.248 178.479 176.600 -0.614 0.000 0.990 376 E CA 0.970 56.984 56.400 -0.644 0.000 0.821 376 E CB -0.153 28.826 29.700 -1.201 0.000 0.750 376 E HN 0.523 nan 8.360 nan 0.000 0.477 377 A N 0.738 123.279 122.820 -0.464 0.000 2.121 377 A HA -0.087 4.233 4.320 0.000 0.000 0.218 377 A C 1.901 179.659 177.584 0.290 0.000 1.154 377 A CA 0.724 52.779 52.037 0.030 0.000 0.679 377 A CB -0.319 18.840 19.000 0.264 0.000 0.795 377 A HN 0.162 nan 8.150 nan 0.000 0.458 378 L N -1.228 120.067 121.223 0.121 0.000 2.591 378 L HA 0.124 4.464 4.340 0.000 0.000 0.228 378 L C 0.480 177.437 176.870 0.145 0.000 1.133 378 L CA 0.267 55.178 54.840 0.120 0.000 0.880 378 L CB 0.016 42.100 42.059 0.042 0.000 1.033 378 L HN 0.200 nan 8.230 nan 0.000 0.450 379 E N 1.021 121.356 120.200 0.225 0.000 3.170 379 E HA 0.195 4.545 4.350 0.000 0.000 0.212 379 E C -2.264 174.529 176.600 0.322 0.000 1.143 379 E CA -1.884 54.641 56.400 0.208 0.000 1.139 379 E CB 0.679 30.455 29.700 0.125 0.000 1.346 379 E HN 0.024 nan 8.360 nan 0.000 0.432 380 P HA -0.041 nan 4.420 nan 0.000 0.271 380 P C 0.786 178.138 177.300 0.085 0.000 1.218 380 P CA -0.043 63.052 63.100 -0.009 0.000 0.780 380 P CB 1.622 33.266 31.700 -0.093 0.000 0.901 381 V N -1.541 118.441 119.914 0.113 0.000 3.307 381 V HA 0.255 4.375 4.120 0.000 0.000 0.253 381 V C 0.881 177.111 176.094 0.227 0.000 1.149 381 V CA 0.828 63.223 62.300 0.158 0.000 1.112 381 V CB -0.879 31.038 31.823 0.157 0.000 0.777 381 V HN 0.671 nan 8.190 nan 0.000 0.464 382 H N -1.348 117.797 119.070 0.124 0.000 3.003 382 H HA 0.495 5.051 4.556 -0.000 0.000 0.327 382 H C -2.456 173.087 175.328 0.357 0.000 1.353 382 H CA -0.461 55.677 56.048 0.149 0.000 1.142 382 H CB 2.677 32.415 29.762 -0.040 0.000 1.864 382 H HN 0.152 nan 8.280 nan 0.000 0.529 383 Y N 1.769 121.834 120.300 -0.393 0.000 2.441 383 Y HA 0.318 4.868 4.550 0.000 0.000 0.334 383 Y C -1.549 174.232 175.900 -0.198 0.000 1.061 383 Y CA -0.628 57.401 58.100 -0.118 0.000 1.032 383 Y CB 1.565 39.965 38.460 -0.100 0.000 1.266 383 Y HN 0.538 nan 8.280 nan 0.000 0.441 384 E N 4.592 124.548 120.200 -0.406 0.000 2.293 384 E HA 0.410 4.760 4.350 0.000 0.000 0.270 384 E C -1.440 174.794 176.600 -0.609 0.000 0.879 384 E CA -0.775 55.386 56.400 -0.398 0.000 0.756 384 E CB 2.701 32.413 29.700 0.019 0.000 1.208 384 E HN 0.781 nan 8.360 nan 0.000 0.428 385 E N 0.521 120.456 120.200 -0.441 0.000 2.413 385 E HA 0.661 5.011 4.350 0.000 0.000 0.277 385 E C -1.174 175.382 176.600 -0.073 0.000 0.958 385 E CA -1.076 55.179 56.400 -0.242 0.000 0.779 385 E CB 2.615 32.157 29.700 -0.264 0.000 1.278 385 E HN 0.161 nan 8.360 nan 0.000 0.456 386 K N 1.497 121.909 120.400 0.021 0.000 2.601 386 K HA 0.264 4.584 4.320 0.000 0.000 0.249 386 K C -1.478 175.094 176.600 -0.045 0.000 0.966 386 K CA -0.720 55.522 56.287 -0.076 0.000 0.827 386 K CB 1.406 33.831 32.500 -0.124 0.000 1.178 386 K HN 0.517 nan 8.250 nan 0.000 0.437 387 N N 4.139 122.775 118.700 -0.106 0.000 2.415 387 N HA 0.081 4.821 4.740 0.000 0.000 0.246 387 N C -0.257 175.195 175.510 -0.096 0.000 1.078 387 N CA -0.272 52.772 53.050 -0.009 0.000 0.942 387 N CB 0.355 38.845 38.487 0.004 0.000 1.140 387 N HN 0.666 nan 8.380 nan 0.000 0.501 388 W N 2.211 123.555 121.300 0.074 0.000 2.800 388 W HA 0.078 4.738 4.660 -0.000 0.000 0.249 388 W C 1.964 178.504 176.519 0.035 0.000 1.294 388 W CA -0.109 57.273 57.345 0.062 0.000 1.402 388 W CB -0.093 29.419 29.460 0.087 0.000 1.126 388 W HN 0.591 nan 8.180 nan 0.000 0.652 389 C N 0.418 119.828 119.300 0.184 0.000 2.432 389 C HA -0.144 4.316 4.460 0.000 0.000 0.282 389 C C 2.305 177.326 174.990 0.051 0.000 1.388 389 C CA 1.338 60.420 59.018 0.106 0.000 1.777 389 C CB -1.436 26.350 27.740 0.077 0.000 1.882 389 C HN 0.485 nan 8.230 nan 0.000 0.520 390 E N 0.810 121.020 120.200 0.017 0.000 2.489 390 E HA 0.010 4.360 4.350 0.000 0.000 0.193 390 E C -0.131 176.446 176.600 -0.037 0.000 1.057 390 E CA 0.306 56.692 56.400 -0.022 0.000 0.866 390 E CB -0.176 29.497 29.700 -0.045 0.000 0.916 390 E HN 0.499 nan 8.360 nan 0.000 0.500 391 E N 2.212 122.409 120.200 -0.005 0.000 2.129 391 E HA -0.020 4.330 4.350 0.000 0.000 0.283 391 E C 0.496 177.088 176.600 -0.014 0.000 1.080 391 E CA 0.024 56.427 56.400 0.006 0.000 0.867 391 E CB 1.510 31.271 29.700 0.103 0.000 1.056 391 E HN 0.357 nan 8.360 nan 0.000 0.404 392 Q N 2.971 122.705 119.800 -0.111 0.000 2.135 392 Q HA -0.190 4.150 4.340 0.000 0.000 0.204 392 Q C 0.334 176.098 176.000 -0.393 0.000 0.981 392 Q CA 1.611 57.228 55.803 -0.310 0.000 0.856 392 Q CB 0.098 28.533 28.738 -0.505 0.000 0.902 392 Q HN 0.592 nan 8.270 nan 0.000 0.425 393 Y N -0.957 119.376 120.300 0.054 0.000 2.571 393 Y HA 0.271 4.821 4.550 -0.000 0.000 0.275 393 Y C 1.410 177.374 175.900 0.105 0.000 1.179 393 Y CA -0.318 57.823 58.100 0.068 0.000 1.242 393 Y CB 0.907 39.400 38.460 0.056 0.000 1.126 393 Y HN 0.068 nan 8.280 nan 0.000 0.524 394 S N -1.628 114.197 115.700 0.208 0.000 2.931 394 S HA 0.302 4.772 4.470 0.000 0.000 0.251 394 S C 1.839 176.519 174.600 0.134 0.000 1.078 394 S CA 0.578 58.907 58.200 0.216 0.000 0.835 394 S CB 0.566 63.982 63.200 0.361 0.000 0.798 394 S HN 0.529 nan 8.310 nan 0.000 0.495 395 G N 0.982 109.842 108.800 0.101 0.000 2.217 395 G HA2 0.064 4.024 3.960 0.000 0.000 0.246 395 G HA3 0.064 4.024 3.960 0.000 0.000 0.246 395 G C 0.508 175.449 174.900 0.068 0.000 0.990 395 G CA 0.131 45.259 45.100 0.046 0.000 0.627 395 G HN 1.367 nan 8.290 nan 0.000 0.522 396 G N -2.281 106.599 108.800 0.133 0.000 2.350 396 G HA2 0.520 4.480 3.960 0.000 0.000 0.276 396 G HA3 0.520 4.480 3.960 0.000 0.000 0.276 396 G C -1.028 173.948 174.900 0.126 0.000 1.313 396 G CA 0.356 45.543 45.100 0.144 0.000 0.903 396 G HN 1.515 nan 8.290 nan 0.000 0.490 397 C N -1.688 117.632 119.300 0.034 0.000 3.307 397 C HA 0.571 5.031 4.460 0.000 0.000 0.333 397 C C 0.715 175.551 174.990 -0.257 0.000 1.291 397 C CA -0.661 58.306 59.018 -0.086 0.000 1.273 397 C CB 0.665 28.262 27.740 -0.238 0.000 1.580 397 C HN 0.728 nan 8.230 nan 0.000 0.481 398 Y N 0.640 120.853 120.300 -0.145 0.000 2.337 398 Y HA 0.226 4.776 4.550 0.000 0.000 0.293 398 Y C 1.602 177.452 175.900 -0.082 0.000 1.123 398 Y CA 1.275 59.257 58.100 -0.197 0.000 1.201 398 Y CB -0.435 37.875 38.460 -0.251 0.000 1.011 398 Y HN 0.696 nan 8.280 nan 0.000 0.545 399 T N -1.968 112.654 114.554 0.114 0.000 2.645 399 T HA 0.345 4.695 4.350 0.000 0.000 0.300 399 T C -0.804 173.990 174.700 0.158 0.000 1.210 399 T CA -0.691 61.519 62.100 0.182 0.000 1.034 399 T CB 1.024 70.093 68.868 0.335 0.000 1.537 399 T HN -0.150 nan 8.240 nan 0.000 0.492 400 T N 2.571 117.239 114.554 0.190 0.000 2.851 400 T HA 0.480 4.830 4.350 0.000 0.000 0.298 400 T C -0.830 173.896 174.700 0.044 0.000 0.977 400 T CA 0.043 62.162 62.100 0.032 0.000 1.126 400 T CB -0.403 68.478 68.868 0.021 0.000 0.916 400 T HN 0.465 nan 8.240 nan 0.000 0.529 401 Y N 1.095 121.181 120.300 -0.357 0.000 2.496 401 Y HA 0.789 5.339 4.550 0.000 0.000 0.331 401 Y C -1.253 174.078 175.900 -0.949 0.000 1.140 401 Y CA -2.235 55.278 58.100 -0.979 0.000 1.166 401 Y CB 0.736 38.741 38.460 -0.759 0.000 1.249 401 Y HN 0.402 nan 8.280 nan 0.000 0.479 402 F N 3.337 122.508 119.950 -1.297 0.000 2.402 402 F HA 0.563 5.090 4.527 -0.000 0.000 0.355 402 F C -2.311 173.383 175.800 -0.177 0.000 1.123 402 F CA -2.741 54.889 58.000 -0.616 0.000 1.021 402 F CB 1.493 40.197 39.000 -0.494 0.000 1.160 402 F HN 0.367 nan 8.300 nan 0.000 0.451 403 P HA 0.115 nan 4.420 nan 0.000 0.272 403 P C -2.547 174.853 177.300 0.168 0.000 1.240 403 P CA -1.187 61.997 63.100 0.139 0.000 0.791 403 P CB -0.140 31.593 31.700 0.056 0.000 0.978 404 P HA -0.036 nan 4.420 nan 0.000 0.262 404 P C 0.889 178.282 177.300 0.155 0.000 1.182 404 P CA 1.263 64.466 63.100 0.172 0.000 0.761 404 P CB -0.081 31.703 31.700 0.140 0.000 0.795 405 G N 2.946 111.852 108.800 0.176 0.000 2.217 405 G HA2 -0.261 3.699 3.960 0.000 0.000 0.246 405 G HA3 -0.261 3.699 3.960 0.000 0.000 0.246 405 G C 0.788 175.805 174.900 0.195 0.000 0.990 405 G CA 0.068 45.263 45.100 0.157 0.000 0.627 405 G HN 0.431 nan 8.290 nan 0.000 0.522 406 I N 0.141 120.858 120.570 0.245 0.000 2.400 406 I HA 0.164 4.334 4.170 0.000 0.000 0.248 406 I C 2.630 178.990 176.117 0.405 0.000 1.109 406 I CA 1.232 62.733 61.300 0.334 0.000 1.425 406 I CB -1.201 36.924 38.000 0.209 0.000 1.094 406 I HN 0.267 nan 8.210 nan 0.000 0.425 407 L N 1.219 122.664 121.223 0.370 0.000 2.042 407 L HA -0.217 4.123 4.340 0.000 0.000 0.210 407 L C 2.640 179.585 176.870 0.125 0.000 1.076 407 L CA 2.552 57.482 54.840 0.150 0.000 0.749 407 L CB -0.982 41.071 42.059 -0.010 0.000 0.893 407 L HN 0.429 nan 8.230 nan 0.000 0.432 408 T N -4.214 110.423 114.554 0.140 0.000 2.867 408 T HA -0.141 4.209 4.350 0.000 0.000 0.268 408 T C 1.794 176.456 174.700 -0.063 0.000 1.057 408 T CA 0.964 63.117 62.100 0.088 0.000 1.136 408 T CB -0.304 68.621 68.868 0.094 0.000 0.874 408 T HN 0.360 nan 8.240 nan 0.000 0.466 409 Q N -0.067 119.694 119.800 -0.065 0.000 2.163 409 Q HA 0.123 4.463 4.340 0.000 0.000 0.198 409 Q C 1.117 176.804 176.000 -0.522 0.000 0.954 409 Q CA 1.157 56.782 55.803 -0.297 0.000 0.851 409 Q CB 0.002 28.560 28.738 -0.301 0.000 0.928 409 Q HN 0.764 nan 8.270 nan 0.000 0.459 410 Y N -1.520 118.712 120.300 -0.112 0.000 2.471 410 Y HA 0.276 4.826 4.550 -0.000 0.000 0.249 410 Y C 1.999 177.779 175.900 -0.201 0.000 1.116 410 Y CA 0.072 58.090 58.100 -0.138 0.000 1.240 410 Y CB 0.250 38.673 38.460 -0.063 0.000 1.251 410 Y HN 0.086 nan 8.280 nan 0.000 0.527 411 G N 0.715 109.421 108.800 -0.156 0.000 2.442 411 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 411 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 411 G C 1.681 176.082 174.900 -0.832 0.000 1.141 411 G CA 0.781 45.680 45.100 -0.335 0.000 0.763 411 G HN 0.288 nan 8.290 nan 0.000 0.554 412 R N -0.374 119.364 120.500 -1.270 0.000 2.159 412 R HA -0.045 4.295 4.340 0.000 0.000 0.237 412 R C 2.506 178.573 176.300 -0.388 0.000 1.131 412 R CA 1.108 56.597 56.100 -1.020 0.000 0.982 412 R CB -0.228 29.594 30.300 -0.796 0.000 0.868 412 R HN 0.374 nan 8.270 nan 0.000 0.453 413 V N 0.831 120.573 119.914 -0.286 0.000 2.719 413 V HA -0.142 3.978 4.120 0.000 0.000 0.252 413 V C 2.226 178.219 176.094 -0.168 0.000 1.065 413 V CA 0.976 63.170 62.300 -0.176 0.000 1.086 413 V CB -0.440 31.306 31.823 -0.128 0.000 0.700 413 V HN 0.300 nan 8.190 nan 0.000 0.467 414 L N 1.009 122.171 121.223 -0.100 0.000 1.991 414 L HA -0.258 4.082 4.340 0.000 0.000 0.221 414 L C 2.537 179.359 176.870 -0.080 0.000 1.079 414 L CA 2.554 57.365 54.840 -0.048 0.000 0.778 414 L CB -0.249 41.881 42.059 0.119 0.000 0.893 414 L HN 0.475 nan 8.230 nan 0.000 0.437 415 R N -0.609 119.936 120.500 0.075 0.000 2.546 415 R HA 0.138 4.478 4.340 0.000 0.000 0.320 415 R C 0.514 176.957 176.300 0.238 0.000 1.021 415 R CA -0.227 56.001 56.100 0.213 0.000 1.088 415 R CB -0.030 30.456 30.300 0.310 0.000 1.278 415 R HN 0.266 nan 8.270 nan 0.000 0.557 416 Q N 2.690 122.552 119.800 0.103 0.000 2.286 416 Q HA 0.198 4.538 4.340 0.000 0.000 0.267 416 Q C -2.097 174.012 176.000 0.182 0.000 1.028 416 Q CA -2.114 53.751 55.803 0.102 0.000 0.901 416 Q CB 0.886 29.627 28.738 0.005 0.000 1.183 416 Q HN 0.057 nan 8.270 nan 0.000 0.392 417 P HA -0.056 nan 4.420 nan 0.000 0.266 417 P C -1.232 176.063 177.300 -0.009 0.000 1.195 417 P CA 0.006 63.046 63.100 -0.101 0.000 0.768 417 P CB 0.640 32.023 31.700 -0.527 0.000 0.838 418 V N 3.657 123.583 119.914 0.020 0.000 2.257 418 V HA 0.143 4.263 4.120 0.000 0.000 0.269 418 V C 0.717 176.773 176.094 -0.063 0.000 1.040 418 V CA 0.179 62.488 62.300 0.014 0.000 0.813 418 V CB -0.014 31.864 31.823 0.092 0.000 1.065 418 V HN 0.787 nan 8.190 nan 0.000 0.457 419 D N 4.013 124.377 120.400 -0.060 0.000 4.438 419 D HA -0.303 4.337 4.640 0.000 0.000 0.158 419 D C 1.373 177.657 176.300 -0.027 0.000 0.686 419 D CA 2.413 56.396 54.000 -0.028 0.000 1.183 419 D CB -0.304 40.492 40.800 -0.007 0.000 0.623 419 D HN 0.546 nan 8.370 nan 0.000 0.521 420 R N -0.099 120.409 120.500 0.013 0.000 2.432 420 R HA 0.442 4.782 4.340 0.000 0.000 0.260 420 R C -0.109 176.295 176.300 0.173 0.000 0.935 420 R CA -0.140 56.062 56.100 0.170 0.000 1.080 420 R CB 0.466 30.797 30.300 0.052 0.000 1.155 420 R HN 0.299 nan 8.270 nan 0.000 0.531 421 I N 1.242 121.757 120.570 -0.090 0.000 2.342 421 I HA 0.199 4.369 4.170 0.000 0.000 0.291 421 I C -0.580 175.184 176.117 -0.589 0.000 1.010 421 I CA -0.554 60.603 61.300 -0.238 0.000 1.308 421 I CB 0.621 38.444 38.000 -0.293 0.000 1.400 421 I HN -0.095 nan 8.210 nan 0.000 0.488 422 Y N 5.258 125.307 120.300 -0.418 0.000 2.487 422 Y HA 0.534 5.084 4.550 0.000 0.000 0.337 422 Y C -0.551 175.039 175.900 -0.517 0.000 1.076 422 Y CA -0.717 57.179 58.100 -0.339 0.000 1.115 422 Y CB 1.616 40.001 38.460 -0.125 0.000 1.235 422 Y HN 0.285 nan 8.280 nan 0.000 0.468 423 F N 1.490 121.547 119.950 0.179 0.000 2.427 423 F HA 0.708 5.235 4.527 -0.000 0.000 0.348 423 F C 0.425 176.304 175.800 0.131 0.000 1.125 423 F CA -0.556 57.524 58.000 0.133 0.000 0.989 423 F CB 1.023 40.084 39.000 0.101 0.000 1.165 423 F HN 0.602 nan 8.300 nan 0.000 0.442 424 A N 2.333 125.301 122.820 0.246 0.000 3.444 424 A HA 0.955 5.275 4.320 0.000 0.000 0.189 424 A C 0.399 178.113 177.584 0.216 0.000 1.542 424 A CA -0.390 51.758 52.037 0.186 0.000 0.867 424 A CB -0.035 19.032 19.000 0.112 0.000 1.712 424 A HN 1.461 nan 8.150 nan 0.000 0.556 425 G N -2.514 106.393 108.800 0.178 0.000 2.777 425 G HA2 0.088 4.048 3.960 0.000 0.000 0.686 425 G HA3 0.088 4.048 3.960 0.000 0.000 0.686 425 G C 0.434 175.464 174.900 0.217 0.000 1.177 425 G CA 0.622 45.835 45.100 0.187 0.000 0.775 425 G HN 1.580 nan 8.290 nan 0.000 0.613 426 T N 0.135 114.819 114.554 0.215 0.000 2.849 426 T HA -0.103 4.247 4.350 0.000 0.000 0.270 426 T C 2.079 176.979 174.700 0.333 0.000 1.066 426 T CA 2.671 64.925 62.100 0.256 0.000 1.130 426 T CB -0.169 68.844 68.868 0.242 0.000 0.864 426 T HN 0.618 nan 8.240 nan 0.000 0.481 427 E N 0.458 120.861 120.200 0.338 0.000 2.265 427 E HA -0.054 4.296 4.350 0.000 0.000 0.196 427 E C 2.227 179.085 176.600 0.430 0.000 0.996 427 E CA 1.504 58.157 56.400 0.421 0.000 0.832 427 E CB -0.146 29.767 29.700 0.355 0.000 0.756 427 E HN 0.708 nan 8.360 nan 0.000 0.491 428 T N -2.513 112.257 114.554 0.359 0.000 3.086 428 T HA 0.446 4.796 4.350 0.000 0.000 0.250 428 T C 0.816 175.754 174.700 0.396 0.000 1.074 428 T CA 0.007 62.321 62.100 0.356 0.000 0.988 428 T CB 0.211 69.266 68.868 0.310 0.000 0.988 428 T HN 0.095 nan 8.240 nan 0.000 0.530 429 A N 1.789 124.846 122.820 0.396 0.000 2.346 429 A HA 0.539 4.859 4.320 0.000 0.000 0.252 429 A C 1.512 179.365 177.584 0.448 0.000 1.089 429 A CA 0.137 52.410 52.037 0.393 0.000 0.797 429 A CB 0.325 19.517 19.000 0.320 0.000 1.047 429 A HN 0.502 nan 8.150 nan 0.000 0.494 430 T N -2.615 112.179 114.554 0.400 0.000 3.010 430 T HA 0.237 4.587 4.350 0.000 0.000 0.257 430 T C 0.250 175.057 174.700 0.179 0.000 1.020 430 T CA 0.656 62.947 62.100 0.318 0.000 0.938 430 T CB -0.339 68.658 68.868 0.215 0.000 1.049 430 T HN 0.751 nan 8.240 nan 0.000 0.522 431 H N -0.989 118.112 119.070 0.051 0.000 2.924 431 H HA 0.281 4.837 4.556 -0.000 0.000 0.333 431 H C -0.989 174.365 175.328 0.043 0.000 0.979 431 H CA -1.093 54.913 56.048 -0.070 0.000 1.326 431 H CB 0.858 30.638 29.762 0.030 0.000 1.600 431 H HN 0.310 nan 8.280 nan 0.000 0.520 432 W N 2.185 123.240 121.300 -0.409 0.000 5.121 432 W HA -0.249 4.411 4.660 -0.000 0.000 0.372 432 W C 0.495 176.945 176.519 -0.114 0.000 1.394 432 W CA 0.920 57.986 57.345 -0.466 0.000 0.885 432 W CB -1.721 27.384 29.460 -0.592 0.000 2.520 432 W HN 0.399 nan 8.180 nan 0.000 1.455 433 S N 0.492 116.221 115.700 0.048 0.000 2.558 433 S HA 0.365 4.835 4.470 0.000 0.000 0.293 433 S C 1.406 176.219 174.600 0.355 0.000 1.292 433 S CA 1.817 60.163 58.200 0.242 0.000 1.063 433 S CB 0.710 64.118 63.200 0.347 0.000 0.831 433 S HN 1.419 nan 8.310 nan 0.000 0.499 434 G N 3.159 112.241 108.800 0.470 0.000 2.232 434 G HA2 -0.199 3.761 3.960 0.000 0.000 0.226 434 G HA3 -0.199 3.761 3.960 0.000 0.000 0.226 434 G C -0.197 174.838 174.900 0.226 0.000 0.996 434 G CA 0.208 45.594 45.100 0.477 0.000 0.626 434 G HN 0.677 nan 8.290 nan 0.000 0.509 435 Y N -0.334 120.082 120.300 0.193 0.000 2.631 435 Y HA 0.720 5.270 4.550 -0.000 0.000 0.328 435 Y C 2.028 177.971 175.900 0.072 0.000 1.118 435 Y CA -0.743 57.422 58.100 0.107 0.000 1.206 435 Y CB 0.756 39.265 38.460 0.083 0.000 1.337 435 Y HN -0.023 nan 8.280 nan 0.000 0.515 436 M N -0.152 119.557 119.600 0.183 0.000 2.149 436 M HA -0.205 4.275 4.480 0.000 0.000 0.261 436 M C 1.839 178.203 176.300 0.108 0.000 1.064 436 M CA 1.988 57.360 55.300 0.121 0.000 1.102 436 M CB -0.260 32.405 32.600 0.109 0.000 1.369 436 M HN 0.781 nan 8.290 nan 0.000 0.408 437 E N 0.769 121.011 120.200 0.070 0.000 2.058 437 E HA -0.153 4.197 4.350 0.000 0.000 0.194 437 E C 1.967 178.629 176.600 0.104 0.000 0.997 437 E CA 2.083 58.489 56.400 0.009 0.000 0.801 437 E CB -0.684 28.890 29.700 -0.210 0.000 0.746 437 E HN 0.425 nan 8.360 nan 0.000 0.450 438 G N 0.073 108.985 108.800 0.188 0.000 2.422 438 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 438 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 438 G C 1.716 176.732 174.900 0.193 0.000 1.146 438 G CA 1.107 46.340 45.100 0.221 0.000 0.769 438 G HN 0.479 nan 8.290 nan 0.000 0.547 439 A N 0.235 123.157 122.820 0.170 0.000 1.908 439 A HA 0.029 4.349 4.320 0.000 0.000 0.218 439 A C 2.617 180.264 177.584 0.105 0.000 1.181 439 A CA 1.951 54.070 52.037 0.138 0.000 0.627 439 A CB -0.634 18.436 19.000 0.117 0.000 0.818 439 A HN 0.269 nan 8.150 nan 0.000 0.445 440 V N 0.056 120.024 119.914 0.090 0.000 2.261 440 V HA -0.262 3.858 4.120 0.000 0.000 0.246 440 V C 2.553 178.688 176.094 0.069 0.000 1.047 440 V CA 2.202 64.540 62.300 0.065 0.000 1.015 440 V CB -0.792 31.062 31.823 0.052 0.000 0.642 440 V HN 0.729 nan 8.190 nan 0.000 0.446 441 E N 0.451 120.711 120.200 0.100 0.000 2.049 441 E HA -0.288 4.062 4.350 0.000 0.000 0.198 441 E C 2.233 178.877 176.600 0.073 0.000 1.007 441 E CA 1.842 58.310 56.400 0.113 0.000 0.809 441 E CB -0.184 29.630 29.700 0.191 0.000 0.749 441 E HN 0.543 nan 8.360 nan 0.000 0.450 442 A N 0.635 123.520 122.820 0.108 0.000 1.898 442 A HA -0.057 4.263 4.320 0.000 0.000 0.216 442 A C 2.416 180.025 177.584 0.041 0.000 1.181 442 A CA 1.717 53.809 52.037 0.093 0.000 0.620 442 A CB -1.010 18.090 19.000 0.167 0.000 0.819 442 A HN 0.446 nan 8.150 nan 0.000 0.442 443 G N -0.354 108.474 108.800 0.048 0.000 2.421 443 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 443 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 443 G C 1.436 176.325 174.900 -0.019 0.000 1.171 443 G CA 0.956 46.071 45.100 0.024 0.000 0.775 443 G HN 0.644 nan 8.290 nan 0.000 0.543 444 E N -0.205 119.979 120.200 -0.026 0.000 2.152 444 E HA -0.051 4.299 4.350 0.000 0.000 0.192 444 E C 2.515 179.045 176.600 -0.117 0.000 0.983 444 E CA 0.230 56.598 56.400 -0.053 0.000 0.818 444 E CB -0.083 29.601 29.700 -0.027 0.000 0.758 444 E HN 0.306 nan 8.360 nan 0.000 0.467 445 R N 1.202 121.601 120.500 -0.168 0.000 2.075 445 R HA -0.075 4.265 4.340 0.000 0.000 0.232 445 R C 2.174 178.304 176.300 -0.283 0.000 1.126 445 R CA 1.297 57.191 56.100 -0.345 0.000 0.963 445 R CB -0.205 29.738 30.300 -0.595 0.000 0.858 445 R HN 0.124 nan 8.270 nan 0.000 0.435 446 A N 1.051 123.777 122.820 -0.157 0.000 1.902 446 A HA -0.084 4.236 4.320 0.000 0.000 0.217 446 A C 2.413 179.894 177.584 -0.171 0.000 1.181 446 A CA 1.747 53.729 52.037 -0.092 0.000 0.623 446 A CB -0.734 18.271 19.000 0.008 0.000 0.818 446 A HN 0.534 nan 8.150 nan 0.000 0.443 447 A N -0.314 122.419 122.820 -0.145 0.000 1.908 447 A HA -0.186 4.134 4.320 0.000 0.000 0.218 447 A C 2.261 179.722 177.584 -0.205 0.000 1.181 447 A CA 1.627 53.569 52.037 -0.159 0.000 0.627 447 A CB -0.463 18.478 19.000 -0.097 0.000 0.818 447 A HN 0.543 nan 8.150 nan 0.000 0.445 448 R N -0.578 119.807 120.500 -0.191 0.000 2.115 448 R HA -0.077 4.263 4.340 0.000 0.000 0.226 448 R C 2.066 178.245 176.300 -0.202 0.000 1.100 448 R CA 1.239 57.232 56.100 -0.178 0.000 0.980 448 R CB -0.239 29.962 30.300 -0.164 0.000 0.875 448 R HN 0.682 nan 8.270 nan 0.000 0.445 449 E N 0.561 120.603 120.200 -0.263 0.000 2.085 449 E HA -0.210 4.140 4.350 0.000 0.000 0.194 449 E C 1.938 178.233 176.600 -0.509 0.000 0.994 449 E CA 1.183 57.418 56.400 -0.276 0.000 0.801 449 E CB -0.094 29.479 29.700 -0.211 0.000 0.743 449 E HN 0.326 nan 8.360 nan 0.000 0.453 450 I N 0.878 121.014 120.570 -0.724 0.000 2.252 450 I HA -0.265 3.905 4.170 0.000 0.000 0.245 450 I C 2.273 178.056 176.117 -0.557 0.000 1.102 450 I CA 0.809 61.569 61.300 -0.899 0.000 1.385 450 I CB -0.087 37.430 38.000 -0.805 0.000 1.064 450 I HN 0.106 nan 8.210 nan 0.000 0.414 451 L N -0.172 120.857 121.223 -0.324 0.000 2.079 451 L HA -0.283 4.057 4.340 0.000 0.000 0.210 451 L C 2.690 179.484 176.870 -0.126 0.000 1.081 451 L CA 1.601 56.330 54.840 -0.186 0.000 0.752 451 L CB -0.889 41.099 42.059 -0.118 0.000 0.896 451 L HN 0.370 nan 8.230 nan 0.000 0.433 452 H N 0.067 119.023 119.070 -0.190 0.000 2.357 452 H HA -0.079 4.477 4.556 0.000 0.000 0.301 452 H C 2.118 177.383 175.328 -0.105 0.000 1.082 452 H CA 1.381 57.360 56.048 -0.116 0.000 1.342 452 H CB 0.096 29.808 29.762 -0.084 0.000 1.389 452 H HN 0.247 nan 8.280 nan 0.000 0.511 453 A N 0.416 123.065 122.820 -0.284 0.000 1.972 453 A HA -0.127 4.193 4.320 0.000 0.000 0.219 453 A C 2.247 179.732 177.584 -0.165 0.000 1.169 453 A CA 1.681 53.569 52.037 -0.249 0.000 0.635 453 A CB -0.592 18.247 19.000 -0.268 0.000 0.810 453 A HN 0.556 nan 8.150 nan 0.000 0.446 454 M N -1.359 118.127 119.600 -0.190 0.000 2.618 454 M HA 0.158 4.638 4.480 0.000 0.000 0.240 454 M C 1.316 177.572 176.300 -0.072 0.000 1.123 454 M CA 0.770 56.032 55.300 -0.063 0.000 1.060 454 M CB 0.203 32.770 32.600 -0.054 0.000 1.535 454 M HN 0.612 nan 8.290 nan 0.000 0.507 455 G N 1.028 109.746 108.800 -0.137 0.000 2.143 455 G HA2 -0.270 3.690 3.960 0.000 0.000 0.248 455 G HA3 -0.270 3.690 3.960 0.000 0.000 0.248 455 G C 0.850 175.717 174.900 -0.054 0.000 0.991 455 G CA 0.459 45.494 45.100 -0.109 0.000 0.689 455 G HN 0.470 nan 8.290 nan 0.000 0.522 456 K N -0.512 119.858 120.400 -0.051 0.000 2.314 456 K HA 0.319 4.639 4.320 0.000 0.000 0.198 456 K C 1.320 177.917 176.600 -0.005 0.000 1.045 456 K CA 1.256 57.526 56.287 -0.028 0.000 0.988 456 K CB 0.282 32.758 32.500 -0.040 0.000 0.783 456 K HN 0.796 nan 8.250 nan 0.000 0.484 457 I N -1.767 118.816 120.570 0.021 0.000 2.865 457 I HA 0.452 4.622 4.170 0.000 0.000 0.302 457 I C -2.918 173.286 176.117 0.144 0.000 1.140 457 I CA -3.033 58.299 61.300 0.054 0.000 1.021 457 I CB 2.184 40.201 38.000 0.029 0.000 1.233 457 I HN -0.254 nan 8.210 nan 0.000 0.427 458 P HA 0.083 nan 4.420 nan 0.000 0.274 458 P C 0.181 177.515 177.300 0.056 0.000 1.246 458 P CA -0.029 63.155 63.100 0.140 0.000 0.795 458 P CB 1.079 32.820 31.700 0.068 0.000 1.006 459 E N 0.744 120.896 120.200 -0.080 0.000 2.118 459 E HA -0.225 4.125 4.350 0.000 0.000 0.195 459 E C 1.022 177.535 176.600 -0.145 0.000 0.992 459 E CA 1.463 57.617 56.400 -0.411 0.000 0.804 459 E CB -0.117 29.399 29.700 -0.307 0.000 0.741 459 E HN 0.483 nan 8.360 nan 0.000 0.458 460 D N -0.146 120.233 120.400 -0.035 0.000 2.378 460 D HA -0.129 4.511 4.640 0.000 0.000 0.227 460 D C 0.885 177.209 176.300 0.041 0.000 1.012 460 D CA 0.521 54.534 54.000 0.022 0.000 0.905 460 D CB -0.178 40.637 40.800 0.024 0.000 0.895 460 D HN 0.290 nan 8.370 nan 0.000 0.532 461 E N -0.326 119.881 120.200 0.012 0.000 2.474 461 E HA 0.180 4.530 4.350 0.000 0.000 0.195 461 E C 1.864 178.457 176.600 -0.012 0.000 1.039 461 E CA -0.274 56.134 56.400 0.015 0.000 0.881 461 E CB 0.366 30.071 29.700 0.009 0.000 0.970 461 E HN 0.314 nan 8.360 nan 0.000 0.486 462 I N -0.022 120.526 120.570 -0.038 0.000 2.202 462 I HA -0.180 3.990 4.170 0.000 0.000 0.242 462 I C 0.449 176.424 176.117 -0.237 0.000 1.091 462 I CA 1.106 62.314 61.300 -0.154 0.000 1.368 462 I CB 0.088 37.981 38.000 -0.178 0.000 1.058 462 I HN 0.099 nan 8.210 nan 0.000 0.410 463 W N 1.644 122.940 121.300 -0.006 0.000 2.316 463 W HA 0.486 5.146 4.660 -0.000 0.000 0.308 463 W C 0.031 176.555 176.519 0.009 0.000 1.106 463 W CA -0.268 57.084 57.345 0.013 0.000 1.262 463 W CB 0.539 30.008 29.460 0.015 0.000 1.233 463 W HN -0.041 nan 8.180 nan 0.000 0.447 464 Q N 2.383 122.295 119.800 0.186 0.000 2.331 464 Q HA 0.378 4.718 4.340 0.000 0.000 0.267 464 Q C 0.259 176.335 176.000 0.126 0.000 1.006 464 Q CA -0.511 55.363 55.803 0.118 0.000 0.818 464 Q CB 1.579 30.352 28.738 0.058 0.000 1.276 464 Q HN 0.537 nan 8.270 nan 0.000 0.450 465 S N 2.156 117.916 115.700 0.099 0.000 2.593 465 S HA 0.263 4.733 4.470 0.000 0.000 0.269 465 S C -0.190 174.453 174.600 0.072 0.000 1.334 465 S CA -0.623 57.627 58.200 0.082 0.000 1.015 465 S CB 1.330 64.561 63.200 0.053 0.000 0.912 465 S HN 0.629 nan 8.310 nan 0.000 0.541 466 E N 1.116 121.361 120.200 0.075 0.000 2.187 466 E HA 0.576 4.926 4.350 0.000 0.000 0.268 466 E C -2.739 173.892 176.600 0.052 0.000 0.896 466 E CA -2.175 54.265 56.400 0.066 0.000 0.766 466 E CB 0.922 30.672 29.700 0.083 0.000 1.142 466 E HN 0.544 nan 8.360 nan 0.000 0.408 467 P HA 0.079 nan 4.420 nan 0.000 0.268 467 P C -0.785 176.534 177.300 0.033 0.000 1.205 467 P CA -0.219 62.899 63.100 0.031 0.000 0.771 467 P CB 0.535 32.250 31.700 0.024 0.000 0.858 468 E N 1.633 121.850 120.200 0.029 0.000 2.414 468 E HA 0.068 4.418 4.350 0.000 0.000 0.263 468 E C -0.086 176.526 176.600 0.019 0.000 1.000 468 E CA -0.235 56.181 56.400 0.027 0.000 0.914 468 E CB 0.391 30.105 29.700 0.023 0.000 0.948 468 E HN 0.377 nan 8.360 nan 0.000 0.444 469 S N 2.880 118.589 115.700 0.015 0.000 2.552 469 S HA -0.042 4.428 4.470 0.000 0.000 0.289 469 S C 1.138 175.743 174.600 0.008 0.000 1.304 469 S CA -0.108 58.098 58.200 0.010 0.000 1.063 469 S CB 0.831 64.031 63.200 -0.000 0.000 0.848 469 S HN 0.534 nan 8.310 nan 0.000 0.499 470 V N 1.922 121.842 119.914 0.010 0.000 2.951 470 V HA 0.076 4.196 4.120 0.000 0.000 0.255 470 V C 1.460 177.558 176.094 0.007 0.000 1.088 470 V CA 1.382 63.687 62.300 0.009 0.000 1.109 470 V CB -0.534 31.295 31.823 0.010 0.000 0.724 470 V HN 0.818 nan 8.190 nan 0.000 0.471 471 D N 1.073 121.478 120.400 0.007 0.000 2.213 471 D HA 0.083 4.723 4.640 0.000 0.000 0.205 471 D C 0.703 177.000 176.300 -0.005 0.000 0.961 471 D CA 1.168 55.172 54.000 0.007 0.000 0.853 471 D CB 0.776 41.585 40.800 0.015 0.000 0.967 471 D HN 0.509 nan 8.370 nan 0.000 0.496 472 V N 3.793 123.698 119.914 -0.014 0.000 2.313 472 V HA 0.202 4.322 4.120 0.000 0.000 0.262 472 V C -2.384 173.697 176.094 -0.023 0.000 1.011 472 V CA -1.314 60.967 62.300 -0.031 0.000 0.858 472 V CB 1.306 33.092 31.823 -0.061 0.000 1.104 472 V HN -0.050 nan 8.190 nan 0.000 0.456 473 P HA 0.380 nan 4.420 nan 0.000 0.275 473 P C -0.435 176.862 177.300 -0.005 0.000 1.228 473 P CA -0.024 63.074 63.100 -0.004 0.000 0.786 473 P CB 1.624 33.324 31.700 -0.001 0.000 0.927 474 A N 3.275 126.098 122.820 0.005 0.000 2.249 474 A HA 0.312 4.632 4.320 0.000 0.000 0.314 474 A C 0.257 177.847 177.584 0.010 0.000 1.290 474 A CA -0.548 51.496 52.037 0.012 0.000 0.893 474 A CB 0.198 19.216 19.000 0.030 0.000 1.165 474 A HN 0.426 nan 8.150 nan 0.000 0.530 475 Q N 2.983 122.787 119.800 0.007 0.000 2.314 475 Q HA 0.303 4.643 4.340 0.000 0.000 0.258 475 Q C -2.271 173.735 176.000 0.010 0.000 0.954 475 Q CA -1.728 54.079 55.803 0.007 0.000 0.890 475 Q CB 0.753 29.493 28.738 0.003 0.000 1.210 475 Q HN 0.561 nan 8.270 nan 0.000 0.410 476 P HA 0.150 nan 4.420 nan 0.000 0.271 476 P C -0.301 177.002 177.300 0.006 0.000 1.218 476 P CA -0.316 62.786 63.100 0.004 0.000 0.780 476 P CB 0.756 32.457 31.700 0.000 0.000 0.901 477 I N 2.588 123.158 120.570 -0.000 0.000 2.396 477 I HA 0.157 4.327 4.170 0.000 0.000 0.289 477 I C 1.171 177.286 176.117 -0.003 0.000 1.056 477 I CA 0.253 61.554 61.300 0.002 0.000 1.365 477 I CB 0.006 37.999 38.000 -0.012 0.000 1.407 477 I HN 0.404 nan 8.210 nan 0.000 0.509 478 T N 1.929 116.489 114.554 0.011 0.000 2.912 478 T HA 0.772 5.122 4.350 0.000 0.000 0.288 478 T C -0.003 174.703 174.700 0.010 0.000 1.030 478 T CA -0.763 61.343 62.100 0.010 0.000 1.020 478 T CB 2.071 70.952 68.868 0.021 0.000 1.056 478 T HN 0.635 nan 8.240 nan 0.000 0.480 479 T N -0.990 113.564 114.554 0.001 0.000 2.887 479 T HA 0.683 5.033 4.350 0.000 0.000 0.288 479 T C 0.424 175.139 174.700 0.026 0.000 1.021 479 T CA -0.795 61.301 62.100 -0.007 0.000 1.000 479 T CB 1.254 70.090 68.868 -0.053 0.000 1.034 479 T HN 0.974 nan 8.240 nan 0.000 0.467 480 T N 0.165 114.745 114.554 0.044 0.000 2.788 480 T HA 0.321 4.671 4.350 0.000 0.000 0.287 480 T C 0.879 175.650 174.700 0.118 0.000 1.007 480 T CA -0.774 61.384 62.100 0.096 0.000 1.005 480 T CB 0.355 69.287 68.868 0.107 0.000 1.012 480 T HN 0.530 nan 8.240 nan 0.000 0.530 481 F N 0.756 120.738 119.950 0.054 0.000 2.126 481 F HA -0.001 4.526 4.527 0.000 0.000 0.299 481 F C 1.945 177.818 175.800 0.122 0.000 1.096 481 F CA 1.355 59.418 58.000 0.106 0.000 1.255 481 F CB -0.541 38.520 39.000 0.103 0.000 0.997 481 F HN 0.499 nan 8.300 nan 0.000 0.479 482 L N 0.202 121.516 121.223 0.152 0.000 2.046 482 L HA -0.220 4.120 4.340 0.000 0.000 0.208 482 L C 2.415 179.270 176.870 -0.025 0.000 1.077 482 L CA 1.816 56.694 54.840 0.063 0.000 0.747 482 L CB -0.741 41.412 42.059 0.156 0.000 0.896 482 L HN 0.134 nan 8.230 nan 0.000 0.432 483 E N -0.449 119.746 120.200 -0.008 0.000 2.118 483 E HA -0.240 4.110 4.350 0.000 0.000 0.195 483 E C 2.366 178.865 176.600 -0.168 0.000 0.992 483 E CA 1.087 57.450 56.400 -0.061 0.000 0.804 483 E CB -0.011 29.663 29.700 -0.043 0.000 0.741 483 E HN 0.373 nan 8.360 nan 0.000 0.458 484 R N -0.533 119.809 120.500 -0.264 0.000 2.090 484 R HA -0.046 4.294 4.340 0.000 0.000 0.228 484 R C 1.733 177.654 176.300 -0.631 0.000 1.110 484 R CA 1.024 56.836 56.100 -0.480 0.000 0.973 484 R CB 0.056 29.974 30.300 -0.638 0.000 0.869 484 R HN 0.298 nan 8.270 nan 0.000 0.440 485 H N -0.876 117.990 119.070 -0.339 0.000 2.874 485 H HA 0.210 4.766 4.556 0.000 0.000 0.264 485 H C 0.354 175.560 175.328 -0.203 0.000 1.007 485 H CA -0.194 55.657 56.048 -0.329 0.000 1.207 485 H CB 0.509 29.929 29.762 -0.571 0.000 1.487 485 H HN 0.025 nan 8.280 nan 0.000 0.505 486 L N 4.446 125.629 121.223 -0.067 0.000 2.490 486 L HA 0.045 4.385 4.340 0.000 0.000 0.274 486 L C -1.660 175.184 176.870 -0.043 0.000 1.201 486 L CA -1.351 53.477 54.840 -0.019 0.000 0.869 486 L CB 0.366 42.445 42.059 0.034 0.000 1.123 486 L HN -0.008 nan 8.230 nan 0.000 0.484 487 P HA 0.113 nan 4.420 nan 0.000 0.274 487 P C -0.592 176.654 177.300 -0.090 0.000 1.237 487 P CA -0.576 62.486 63.100 -0.064 0.000 0.793 487 P CB 1.007 32.671 31.700 -0.060 0.000 0.977 488 S N 0.186 115.812 115.700 -0.123 0.000 2.626 488 S HA 0.079 4.549 4.470 0.000 0.000 0.257 488 S C 1.522 175.977 174.600 -0.242 0.000 1.288 488 S CA -0.523 57.575 58.200 -0.168 0.000 0.980 488 S CB -0.418 62.675 63.200 -0.177 0.000 0.975 488 S HN 0.223 nan 8.310 nan 0.000 0.577 489 V N 2.368 122.068 119.914 -0.358 0.000 2.261 489 V HA -0.072 4.048 4.120 0.000 0.000 0.246 489 V C -0.429 175.249 176.094 -0.694 0.000 1.047 489 V CA 1.927 63.932 62.300 -0.491 0.000 1.015 489 V CB -1.935 29.585 31.823 -0.505 0.000 0.642 489 V HN 0.801 nan 8.190 nan 0.000 0.446 490 P HA -0.111 nan 4.420 nan 0.000 0.218 490 P C 1.738 178.832 177.300 -0.345 0.000 1.149 490 P CA 1.971 64.620 63.100 -0.752 0.000 0.817 490 P CB -0.288 31.060 31.700 -0.587 0.000 0.785 491 G N 0.614 109.252 108.800 -0.271 0.000 2.418 491 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 491 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 491 G C 1.533 176.352 174.900 -0.133 0.000 1.158 491 G CA 0.582 45.587 45.100 -0.157 0.000 0.771 491 G HN 0.254 nan 8.290 nan 0.000 0.545 492 L N 0.293 121.423 121.223 -0.156 0.000 2.056 492 L HA 0.137 4.477 4.340 0.000 0.000 0.207 492 L C 2.679 179.486 176.870 -0.106 0.000 1.078 492 L CA 1.256 56.030 54.840 -0.111 0.000 0.749 492 L CB -0.262 41.736 42.059 -0.103 0.000 0.901 492 L HN 0.197 nan 8.230 nan 0.000 0.433 493 L N -1.007 120.123 121.223 -0.155 0.000 2.093 493 L HA -0.163 4.177 4.340 0.000 0.000 0.208 493 L C 2.745 179.569 176.870 -0.076 0.000 1.085 493 L CA 1.061 55.831 54.840 -0.117 0.000 0.755 493 L CB -0.524 41.437 42.059 -0.163 0.000 0.904 493 L HN 0.206 nan 8.230 nan 0.000 0.435 494 R N -0.480 119.968 120.500 -0.086 0.000 2.092 494 R HA -0.134 4.206 4.340 0.000 0.000 0.231 494 R C 2.173 178.450 176.300 -0.037 0.000 1.119 494 R CA 0.998 57.067 56.100 -0.051 0.000 0.970 494 R CB -0.294 29.976 30.300 -0.052 0.000 0.864 494 R HN 0.194 nan 8.270 nan 0.000 0.440 495 L N 0.555 121.752 121.223 -0.044 0.000 2.093 495 L HA -0.110 4.230 4.340 0.000 0.000 0.208 495 L C 2.057 178.914 176.870 -0.022 0.000 1.085 495 L CA 1.500 56.322 54.840 -0.030 0.000 0.755 495 L CB -0.288 41.752 42.059 -0.031 0.000 0.904 495 L HN 0.117 nan 8.230 nan 0.000 0.435 496 I N -1.350 119.204 120.570 -0.026 0.000 2.286 496 I HA -0.162 4.008 4.170 0.000 0.000 0.245 496 I C 2.417 178.528 176.117 -0.010 0.000 1.104 496 I CA 1.256 62.547 61.300 -0.016 0.000 1.397 496 I CB -0.804 37.186 38.000 -0.018 0.000 1.072 496 I HN 0.296 nan 8.210 nan 0.000 0.417 497 G N 0.569 109.362 108.800 -0.012 0.000 2.448 497 G HA2 -0.192 3.768 3.960 0.000 0.000 0.219 497 G HA3 -0.192 3.768 3.960 0.000 0.000 0.219 497 G C 1.643 176.541 174.900 -0.004 0.000 1.127 497 G CA 0.520 45.617 45.100 -0.005 0.000 0.766 497 G HN 0.199 nan 8.290 nan 0.000 0.552 498 L N 0.235 121.454 121.223 -0.007 0.000 2.127 498 L HA 0.089 4.429 4.340 0.000 0.000 0.203 498 L C 3.003 179.871 176.870 -0.003 0.000 1.080 498 L CA 1.449 56.286 54.840 -0.005 0.000 0.768 498 L CB -0.276 41.779 42.059 -0.007 0.000 0.924 498 L HN 0.084 nan 8.230 nan 0.000 0.444 499 T N -1.551 113.000 114.554 -0.004 0.000 3.007 499 T HA -0.088 4.262 4.350 0.000 0.000 0.270 499 T C 0.859 175.559 174.700 -0.001 0.000 1.107 499 T CA 1.055 63.153 62.100 -0.002 0.000 1.118 499 T CB -0.320 68.547 68.868 -0.003 0.000 0.889 499 T HN 0.236 nan 8.240 nan 0.000 0.506 500 T N 2.525 117.079 114.554 -0.000 0.000 3.945 500 T HA 0.606 4.956 4.350 0.000 0.000 0.306 500 T C 0.084 174.785 174.700 0.002 0.000 1.475 500 T CA -0.110 61.991 62.100 0.002 0.000 1.177 500 T CB -1.058 67.811 68.868 0.003 0.000 1.272 500 T HN 0.409 nan 8.240 nan 0.000 0.930 501 I N 0.000 120.571 120.570 0.002 0.000 2.984 501 I HA 0.000 4.170 4.170 0.000 0.000 0.288 501 I CA 0.000 61.301 61.300 0.002 0.000 1.566 501 I CB 0.000 38.001 38.000 0.002 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494