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 1tg8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRcIGISNRD FVEGVSXXSW VDIVLEHGSc VTTMAKNKPT LDFELIKTEA DATA SEQUENCE KQPATLRKYC IEAKLTNTTT DSRcPTQGEP TLNEEQDKRF VcKHSMVDRG DATA SEQUENCE WGNGcGLFGK GGIVTcAMFT CKKNMEGKIV QPENLEYTVV ITPHSGEEHA DATA SEQUENCE VGNDTGKHGK EVKITPQSSI TEAELTGYGT VTMEcSPRTG LDFNEMVLLQ DATA SEQUENCE MKDKAWLVHR QWFLDLPLPW LPGAXXXGSN WIQKETLVTF KNPHAKKQDV DATA SEQUENCE VVLGSQEGAM HTALTGATEI QMSSGNLLFT GHLKcRLRMD KLQLKGMSYS DATA SEQUENCE McTGKFKVVK EIAETQHGTI VIRVQYEGDG SPcKIPFEIM DLEKRHVLGR DATA SEQUENCE LITVNPIVTE KDSPVNIEAE PPFGDSYIII GVEPGQLKLD WFKKG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.116 176.300 -0.306 0.000 1.140 1 M CA 0.000 54.952 55.300 -0.580 0.000 0.988 1 M CB 0.000 32.219 32.600 -0.635 0.000 1.302 2 R N 0.807 121.186 120.500 -0.202 0.000 2.148 2 R HA 0.078 4.418 4.340 -0.001 0.000 0.223 2 R C 1.338 177.582 176.300 -0.093 0.000 1.088 2 R CA 1.499 57.519 56.100 -0.135 0.000 0.985 2 R CB -0.071 30.168 30.300 -0.102 0.000 0.880 2 R HN 0.546 nan 8.270 nan 0.000 0.451 3 c N 0.518 119.068 118.600 -0.082 0.000 2.456 3 c HA 0.159 4.728 4.570 -0.001 0.000 0.279 3 c C 1.243 175.316 174.090 -0.028 0.000 1.427 3 c CA -0.427 55.865 56.329 -0.062 0.000 1.778 3 c CB -0.712 41.735 42.510 -0.105 0.000 1.842 3 c HN 0.259 nan 8.230 nan 0.000 0.531 4 I N 1.627 122.175 120.570 -0.036 0.000 2.671 4 I HA 0.283 4.453 4.170 -0.001 0.000 0.285 4 I C 1.338 177.462 176.117 0.011 0.000 1.148 4 I CA 1.417 62.721 61.300 0.006 0.000 1.386 4 I CB -0.339 37.638 38.000 -0.039 0.000 1.406 4 I HN 0.533 nan 8.210 nan 0.000 0.540 5 G N 6.185 115.020 108.800 0.058 0.000 3.006 5 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.195 5 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.195 5 G C 0.177 175.108 174.900 0.053 0.000 1.034 5 G CA -0.704 44.420 45.100 0.040 0.000 0.807 5 G HN 0.445 nan 8.290 nan 0.000 0.469 6 I N 3.135 123.747 120.570 0.070 0.000 2.496 6 I HA 0.221 4.391 4.170 -0.001 0.000 0.285 6 I C 2.030 178.246 176.117 0.165 0.000 1.080 6 I CA 0.538 61.887 61.300 0.082 0.000 1.404 6 I CB 1.685 39.716 38.000 0.052 0.000 1.403 6 I HN 0.355 nan 8.210 nan 0.000 0.539 7 S N 4.458 120.237 115.700 0.131 0.000 2.371 7 S HA -0.072 4.398 4.470 -0.001 0.000 0.221 7 S C 1.069 175.828 174.600 0.264 0.000 1.036 7 S CA 0.229 58.533 58.200 0.173 0.000 0.965 7 S CB -0.179 63.062 63.200 0.068 0.000 0.845 7 S HN 0.687 nan 8.310 nan 0.000 0.475 8 N N 2.445 121.232 118.700 0.145 0.000 2.739 8 N HA 0.271 5.011 4.740 -0.001 0.000 0.266 8 N C -0.546 174.991 175.510 0.045 0.000 1.168 8 N CA -0.087 53.023 53.050 0.101 0.000 1.055 8 N CB -0.240 38.281 38.487 0.057 0.000 1.393 8 N HN 0.489 nan 8.380 nan 0.000 0.514 9 R N 1.154 121.659 120.500 0.007 0.000 2.892 9 R HA 0.497 4.837 4.340 -0.001 0.000 0.265 9 R C -1.422 174.733 176.300 -0.241 0.000 1.025 9 R CA -0.677 55.321 56.100 -0.169 0.000 0.982 9 R CB 1.152 31.303 30.300 -0.249 0.000 1.185 9 R HN 0.254 nan 8.270 nan 0.000 0.484 10 D N 1.032 121.232 120.400 -0.332 0.000 2.763 10 D HA 0.260 4.899 4.640 -0.001 0.000 0.235 10 D C -1.586 174.528 176.300 -0.309 0.000 1.334 10 D CA -0.326 53.550 54.000 -0.208 0.000 0.950 10 D CB 0.889 41.620 40.800 -0.116 0.000 1.433 10 D HN 0.206 nan 8.370 nan 0.000 0.580 11 F N 2.275 122.147 119.950 -0.131 0.000 2.424 11 F HA 0.454 4.981 4.527 -0.000 0.000 0.356 11 F C 0.191 175.944 175.800 -0.078 0.000 1.110 11 F CA -0.647 57.291 58.000 -0.102 0.000 1.161 11 F CB 1.006 39.944 39.000 -0.103 0.000 1.115 11 F HN -0.007 nan 8.300 nan 0.000 0.507 12 V N 3.569 123.496 119.914 0.023 0.000 2.483 12 V HA 0.287 4.406 4.120 -0.001 0.000 0.297 12 V C -0.354 175.731 176.094 -0.015 0.000 1.027 12 V CA -0.987 61.310 62.300 -0.005 0.000 0.855 12 V CB 1.659 33.448 31.823 -0.057 0.000 0.995 12 V HN 0.644 nan 8.190 nan 0.000 0.424 13 E N 3.031 123.223 120.200 -0.014 0.000 2.146 13 E HA 0.516 4.865 4.350 -0.001 0.000 0.282 13 E C 0.556 177.116 176.600 -0.067 0.000 0.989 13 E CA -0.272 56.105 56.400 -0.038 0.000 0.799 13 E CB 1.858 31.541 29.700 -0.030 0.000 1.088 13 E HN 0.857 nan 8.360 nan 0.000 0.397 14 G N 1.837 110.581 108.800 -0.092 0.000 2.683 14 G HA2 0.238 4.197 3.960 -0.001 0.000 0.260 14 G HA3 0.238 4.197 3.960 -0.001 0.000 0.260 14 G C 0.425 175.219 174.900 -0.175 0.000 1.238 14 G CA -0.442 44.575 45.100 -0.139 0.000 0.934 14 G HN 0.334 nan 8.290 nan 0.000 0.534 15 V N -0.576 119.169 119.914 -0.282 0.000 6.113 15 V HA 0.719 4.839 4.120 -0.001 0.000 0.273 15 V C 0.682 176.588 176.094 -0.314 0.000 1.580 15 V CA -0.002 62.124 62.300 -0.290 0.000 0.634 15 V CB 0.604 32.224 31.823 -0.339 0.000 1.447 15 V HN 0.896 nan 8.190 nan 0.000 0.389 20 W N 1.011 122.292 121.300 -0.031 0.000 2.512 20 W HA 0.908 5.568 4.660 -0.001 0.000 0.335 20 W C -0.692 175.797 176.519 -0.051 0.000 1.088 20 W CA -0.782 56.538 57.345 -0.043 0.000 1.236 20 W CB 0.674 30.110 29.460 -0.042 0.000 1.307 20 W HN 0.427 nan 8.180 nan 0.000 0.567 21 V N 2.247 122.209 119.914 0.080 0.000 2.932 21 V HA 0.263 4.383 4.120 -0.001 0.000 0.307 21 V C -1.275 174.802 176.094 -0.027 0.000 1.147 21 V CA -0.766 61.525 62.300 -0.015 0.000 0.951 21 V CB 2.262 34.036 31.823 -0.082 0.000 1.031 21 V HN 0.640 nan 8.190 nan 0.000 0.426 22 D N 5.169 125.545 120.400 -0.039 0.000 2.217 22 D HA 0.655 5.295 4.640 -0.001 0.000 0.243 22 D C -0.489 175.745 176.300 -0.109 0.000 1.054 22 D CA 0.122 54.085 54.000 -0.061 0.000 0.838 22 D CB 2.159 42.944 40.800 -0.025 0.000 1.162 22 D HN 0.646 nan 8.370 nan 0.000 0.472 23 I N -1.784 118.695 120.570 -0.151 0.000 3.006 23 I HA 0.621 4.790 4.170 -0.001 0.000 0.306 23 I C -1.551 174.481 176.117 -0.143 0.000 1.250 23 I CA -0.945 60.250 61.300 -0.175 0.000 0.996 23 I CB 2.332 40.148 38.000 -0.307 0.000 1.261 23 I HN -0.029 nan 8.210 nan 0.000 0.442 24 V N 5.101 124.950 119.914 -0.109 0.000 2.531 24 V HA 0.531 4.651 4.120 -0.001 0.000 0.301 24 V C -0.153 175.877 176.094 -0.106 0.000 1.034 24 V CA -0.417 61.840 62.300 -0.071 0.000 0.865 24 V CB 1.627 33.452 31.823 0.003 0.000 0.995 24 V HN 0.553 nan 8.190 nan 0.000 0.424 25 L N 4.680 125.828 121.223 -0.125 0.000 2.330 25 L HA 0.858 5.198 4.340 -0.001 0.000 0.271 25 L C -0.281 176.504 176.870 -0.141 0.000 1.013 25 L CA -0.472 54.289 54.840 -0.131 0.000 0.816 25 L CB 2.113 44.086 42.059 -0.142 0.000 1.287 25 L HN 0.894 nan 8.230 nan 0.000 0.435 26 E N 0.339 120.475 120.200 -0.107 0.000 2.380 26 E HA 0.267 4.616 4.350 -0.001 0.000 0.281 26 E C -1.278 175.328 176.600 0.011 0.000 0.999 26 E CA -0.914 55.464 56.400 -0.038 0.000 0.800 26 E CB 1.016 30.705 29.700 -0.018 0.000 1.228 26 E HN 0.510 nan 8.360 nan 0.000 0.436 27 H N 0.994 120.090 119.070 0.043 0.000 3.140 27 H HA 0.049 4.605 4.556 -0.000 0.000 0.316 27 H C 1.310 176.656 175.328 0.029 0.000 0.986 27 H CA 2.549 58.625 56.048 0.048 0.000 1.397 27 H CB 1.010 30.820 29.762 0.081 0.000 1.377 27 H HN 1.002 nan 8.280 nan 0.000 0.585 28 G N 2.497 111.365 108.800 0.113 0.000 2.241 28 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.244 28 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.244 28 G C 0.546 175.467 174.900 0.036 0.000 0.998 28 G CA 0.465 45.608 45.100 0.071 0.000 0.621 28 G HN 0.808 nan 8.290 nan 0.000 0.519 29 S N -1.072 114.638 115.700 0.016 0.000 2.690 29 S HA 0.732 5.202 4.470 -0.001 0.000 0.291 29 S C -0.107 174.476 174.600 -0.027 0.000 1.138 29 S CA 0.261 58.456 58.200 -0.009 0.000 1.013 29 S CB 2.019 65.202 63.200 -0.027 0.000 1.053 29 S HN 1.353 nan 8.310 nan 0.000 0.539 30 c N 2.287 120.860 118.600 -0.046 0.000 2.888 30 c HA 0.806 5.376 4.570 -0.001 0.000 0.308 30 c C -1.260 172.770 174.090 -0.100 0.000 1.213 30 c CA -0.212 56.083 56.329 -0.058 0.000 1.461 30 c CB 0.978 43.450 42.510 -0.062 0.000 1.934 30 c HN 0.816 nan 8.230 nan 0.000 0.474 31 V N 3.515 123.390 119.914 -0.064 0.000 2.735 31 V HA 0.630 4.749 4.120 -0.001 0.000 0.310 31 V C -0.121 175.920 176.094 -0.089 0.000 1.061 31 V CA -0.296 61.938 62.300 -0.108 0.000 0.913 31 V CB 2.365 34.146 31.823 -0.070 0.000 1.005 31 V HN 0.922 nan 8.190 nan 0.000 0.428 32 T N 2.716 117.113 114.554 -0.262 0.000 2.786 32 T HA 0.548 4.898 4.350 -0.001 0.000 0.283 32 T C 0.010 174.616 174.700 -0.156 0.000 0.992 32 T CA -0.413 61.535 62.100 -0.252 0.000 0.954 32 T CB 1.261 69.821 68.868 -0.513 0.000 0.934 32 T HN 0.947 nan 8.240 nan 0.000 0.440 33 T N 1.709 116.238 114.554 -0.042 0.000 2.895 33 T HA 0.825 5.174 4.350 -0.001 0.000 0.283 33 T C -0.373 174.282 174.700 -0.074 0.000 1.014 33 T CA -0.915 61.170 62.100 -0.025 0.000 1.037 33 T CB 1.002 69.909 68.868 0.066 0.000 1.006 33 T HN 0.462 nan 8.240 nan 0.000 0.468 34 M N 2.194 121.753 119.600 -0.069 0.000 2.386 34 M HA 0.646 5.126 4.480 -0.001 0.000 0.293 34 M C -0.066 176.184 176.300 -0.083 0.000 1.120 34 M CA -0.839 54.409 55.300 -0.087 0.000 0.909 34 M CB 2.601 35.157 32.600 -0.074 0.000 1.661 34 M HN 0.902 nan 8.290 nan 0.000 0.452 35 A N 2.299 125.063 122.820 -0.093 0.000 2.704 35 A HA 0.359 4.679 4.320 -0.001 0.000 0.260 35 A C 0.023 177.545 177.584 -0.102 0.000 1.144 35 A CA -0.143 51.831 52.037 -0.105 0.000 0.985 35 A CB 0.575 19.509 19.000 -0.111 0.000 1.256 35 A HN 0.788 nan 8.150 nan 0.000 0.598 36 K N 0.745 121.092 120.400 -0.089 0.000 6.826 36 K HA -0.200 4.119 4.320 -0.001 0.000 0.788 36 K C -0.101 176.454 176.600 -0.074 0.000 2.287 36 K CA 0.771 57.010 56.287 -0.079 0.000 1.704 36 K CB -0.850 31.601 32.500 -0.082 0.000 2.053 36 K HN 0.513 nan 8.250 nan 0.000 0.296 37 N N 0.312 118.974 118.700 -0.062 0.000 2.900 37 N HA -0.173 4.567 4.740 -0.001 0.000 0.240 37 N C -1.118 174.363 175.510 -0.049 0.000 0.953 37 N CA 1.834 54.852 53.050 -0.053 0.000 0.950 37 N CB -0.190 38.266 38.487 -0.051 0.000 1.102 37 N HN 0.561 nan 8.380 nan 0.000 0.593 38 K N 0.348 120.712 120.400 -0.060 0.000 2.318 38 K HA 0.531 4.851 4.320 -0.001 0.000 0.249 38 K C -2.483 174.072 176.600 -0.077 0.000 0.942 38 K CA -1.564 54.688 56.287 -0.058 0.000 0.808 38 K CB 1.571 34.031 32.500 -0.067 0.000 1.189 38 K HN -0.182 nan 8.250 nan 0.000 0.428 39 P HA 0.040 nan 4.420 nan 0.000 0.268 39 P C -0.497 176.692 177.300 -0.185 0.000 1.208 39 P CA 0.376 63.380 63.100 -0.161 0.000 0.777 39 P CB 0.458 31.978 31.700 -0.299 0.000 0.875 40 T N 3.407 117.830 114.554 -0.218 0.000 2.856 40 T HA 0.485 4.835 4.350 -0.001 0.000 0.292 40 T C -0.045 174.498 174.700 -0.261 0.000 0.980 40 T CA -0.120 61.813 62.100 -0.278 0.000 1.091 40 T CB -0.017 68.572 68.868 -0.464 0.000 0.936 40 T HN 0.130 nan 8.240 nan 0.000 0.503 41 L N 2.672 123.771 121.223 -0.206 0.000 2.401 41 L HA 0.554 4.894 4.340 -0.001 0.000 0.266 41 L C -0.688 176.077 176.870 -0.176 0.000 0.991 41 L CA -1.088 53.626 54.840 -0.211 0.000 0.818 41 L CB 2.280 44.182 42.059 -0.261 0.000 1.321 41 L HN 0.519 nan 8.230 nan 0.000 0.413 42 D N 1.284 121.545 120.400 -0.232 0.000 2.168 42 D HA 0.602 5.242 4.640 -0.001 0.000 0.246 42 D C -1.276 174.793 176.300 -0.385 0.000 1.050 42 D CA 0.183 54.081 54.000 -0.169 0.000 0.857 42 D CB 1.524 42.269 40.800 -0.090 0.000 1.169 42 D HN 0.120 nan 8.370 nan 0.000 0.453 43 F N 1.402 121.291 119.950 -0.102 0.000 2.529 43 F HA 0.405 4.931 4.527 -0.001 0.000 0.320 43 F C 0.054 175.794 175.800 -0.099 0.000 1.118 43 F CA -0.743 57.200 58.000 -0.096 0.000 0.915 43 F CB 1.969 40.907 39.000 -0.104 0.000 1.161 43 F HN 0.153 nan 8.300 nan 0.000 0.445 44 E N 3.293 123.534 120.200 0.067 0.000 2.321 44 E HA 0.338 4.688 4.350 -0.001 0.000 0.281 44 E C -1.968 174.617 176.600 -0.027 0.000 0.910 44 E CA -1.010 55.392 56.400 0.003 0.000 0.770 44 E CB 2.084 31.767 29.700 -0.027 0.000 1.225 44 E HN 0.589 nan 8.360 nan 0.000 0.417 45 L N 6.765 127.938 121.223 -0.084 0.000 2.342 45 L HA 0.295 4.635 4.340 -0.001 0.000 0.285 45 L C 0.255 176.996 176.870 -0.215 0.000 1.095 45 L CA 0.530 55.273 54.840 -0.162 0.000 0.843 45 L CB 0.491 42.392 42.059 -0.263 0.000 1.201 45 L HN 0.851 nan 8.230 nan 0.000 0.445 46 I N 3.296 123.791 120.570 -0.124 0.000 2.731 46 I HA 0.142 4.311 4.170 -0.001 0.000 0.260 46 I C 0.550 176.654 176.117 -0.022 0.000 1.138 46 I CA 0.351 61.611 61.300 -0.065 0.000 1.461 46 I CB 0.129 38.117 38.000 -0.020 0.000 1.128 46 I HN 0.592 nan 8.210 nan 0.000 0.438 47 K N -0.214 120.175 120.400 -0.018 0.000 2.466 47 K HA 0.491 4.811 4.320 -0.001 0.000 0.260 47 K C -1.304 175.336 176.600 0.067 0.000 1.011 47 K CA -0.708 55.628 56.287 0.081 0.000 0.871 47 K CB 2.412 34.941 32.500 0.048 0.000 1.404 47 K HN -0.182 nan 8.250 nan 0.000 0.450 48 T N 1.146 115.769 114.554 0.115 0.000 3.050 48 T HA 0.187 4.537 4.350 -0.001 0.000 0.310 48 T C -1.493 173.171 174.700 -0.061 0.000 0.978 48 T CA -0.610 61.470 62.100 -0.033 0.000 1.013 48 T CB 1.170 70.165 68.868 0.211 0.000 1.000 48 T HN 0.461 nan 8.240 nan 0.000 0.447 49 E N 1.935 122.045 120.200 -0.151 0.000 2.183 49 E HA 0.692 5.042 4.350 -0.001 0.000 0.271 49 E C -0.969 175.572 176.600 -0.098 0.000 0.919 49 E CA -0.885 55.463 56.400 -0.086 0.000 0.781 49 E CB 1.572 31.238 29.700 -0.057 0.000 1.140 49 E HN 0.702 nan 8.360 nan 0.000 0.402 50 A N 4.503 127.294 122.820 -0.049 0.000 2.249 50 A HA 0.285 4.605 4.320 -0.001 0.000 0.314 50 A C -0.370 177.204 177.584 -0.018 0.000 1.290 50 A CA -0.599 51.419 52.037 -0.032 0.000 0.893 50 A CB 0.293 19.287 19.000 -0.010 0.000 1.165 50 A HN 0.511 nan 8.150 nan 0.000 0.530 51 K N 3.819 124.210 120.400 -0.016 0.000 2.142 51 K HA 0.158 4.477 4.320 -0.001 0.000 0.250 51 K C -0.459 176.143 176.600 0.004 0.000 1.148 51 K CA -0.176 56.108 56.287 -0.005 0.000 1.040 51 K CB 0.008 32.505 32.500 -0.005 0.000 1.569 51 K HN 0.891 nan 8.250 nan 0.000 0.361 52 Q N -0.811 118.993 119.800 0.007 0.000 2.453 52 Q HA -0.164 4.175 4.340 -0.001 0.000 0.350 52 Q C -2.149 173.861 176.000 0.016 0.000 1.447 52 Q CA -0.213 55.598 55.803 0.013 0.000 0.968 52 Q CB -1.893 26.853 28.738 0.014 0.000 1.175 52 Q HN 0.319 nan 8.270 nan 0.000 0.354 53 P HA 0.274 nan 4.420 nan 0.000 0.286 53 P C -0.456 176.858 177.300 0.023 0.000 1.394 53 P CA 0.909 64.022 63.100 0.021 0.000 0.763 53 P CB 0.157 31.870 31.700 0.023 0.000 1.632 54 A N -2.243 120.592 122.820 0.024 0.000 2.574 54 A HA 0.545 4.865 4.320 -0.001 0.000 0.297 54 A C -1.053 176.548 177.584 0.028 0.000 1.062 54 A CA -0.353 51.700 52.037 0.026 0.000 0.686 54 A CB 0.837 19.852 19.000 0.026 0.000 1.285 54 A HN 0.211 nan 8.150 nan 0.000 0.403 55 T N 2.999 117.576 114.554 0.038 0.000 2.747 55 T HA 0.282 4.632 4.350 -0.001 0.000 0.301 55 T C 1.402 176.140 174.700 0.063 0.000 0.952 55 T CA -0.179 61.953 62.100 0.055 0.000 0.983 55 T CB 0.551 69.459 68.868 0.066 0.000 0.930 55 T HN 0.576 nan 8.240 nan 0.000 0.494 56 L N 3.058 124.319 121.223 0.062 0.000 2.027 56 L HA 0.200 4.540 4.340 -0.001 0.000 0.206 56 L C 1.111 178.067 176.870 0.143 0.000 1.074 56 L CA 1.353 56.246 54.840 0.089 0.000 0.745 56 L CB 0.095 42.200 42.059 0.078 0.000 0.898 56 L HN 0.508 nan 8.230 nan 0.000 0.433 57 R N -0.726 119.911 120.500 0.228 0.000 2.716 57 R HA 0.312 4.652 4.340 -0.001 0.000 0.271 57 R C -1.656 174.757 176.300 0.189 0.000 1.028 57 R CA -0.801 55.391 56.100 0.153 0.000 0.883 57 R CB 1.403 31.660 30.300 -0.072 0.000 1.250 57 R HN -0.137 nan 8.270 nan 0.000 0.465 58 K N 1.940 122.385 120.400 0.076 0.000 2.426 58 K HA 0.383 4.702 4.320 -0.001 0.000 0.254 58 K C -1.952 174.762 176.600 0.190 0.000 0.936 58 K CA -0.524 55.867 56.287 0.173 0.000 0.801 58 K CB 1.198 33.781 32.500 0.138 0.000 1.139 58 K HN 0.401 nan 8.250 nan 0.000 0.424 59 Y N 2.138 122.672 120.300 0.389 0.000 2.352 59 Y HA 0.308 4.857 4.550 -0.002 0.000 0.339 59 Y C -0.075 176.011 175.900 0.310 0.000 0.992 59 Y CA -0.771 57.545 58.100 0.360 0.000 1.100 59 Y CB 1.567 40.099 38.460 0.119 0.000 1.192 59 Y HN 0.562 nan 8.280 nan 0.000 0.458 60 C N 6.859 126.381 119.300 0.369 0.000 2.499 60 C HA 0.433 4.893 4.460 -0.001 0.000 0.386 60 C C 1.376 176.371 174.990 0.010 0.000 1.293 60 C CA -0.492 58.472 59.018 -0.088 0.000 1.884 60 C CB -1.824 25.514 27.740 -0.670 0.000 2.509 60 C HN 0.934 nan 8.230 nan 0.000 0.566 61 I N 1.661 122.220 120.570 -0.019 0.000 4.082 61 I HA 0.464 4.633 4.170 -0.001 0.000 0.337 61 I C 0.126 176.189 176.117 -0.090 0.000 1.352 61 I CA 0.128 61.404 61.300 -0.039 0.000 1.097 61 I CB -0.262 37.726 38.000 -0.020 0.000 1.048 61 I HN 0.751 nan 8.210 nan 0.000 0.393 62 E N 1.787 121.903 120.200 -0.139 0.000 2.343 62 E HA 0.728 5.077 4.350 -0.001 0.000 0.286 62 E C -1.542 174.884 176.600 -0.291 0.000 0.915 62 E CA -0.563 55.732 56.400 -0.175 0.000 0.784 62 E CB 2.189 31.813 29.700 -0.126 0.000 1.251 62 E HN 0.345 nan 8.360 nan 0.000 0.407 63 A N 3.900 126.493 122.820 -0.379 0.000 2.387 63 A HA 0.786 5.106 4.320 -0.001 0.000 0.298 63 A C -0.940 176.355 177.584 -0.483 0.000 1.165 63 A CA -0.709 50.949 52.037 -0.631 0.000 0.814 63 A CB 1.724 20.037 19.000 -1.145 0.000 1.357 63 A HN 0.556 nan 8.150 nan 0.000 0.443 64 K N -0.807 119.258 120.400 -0.559 0.000 2.316 64 K HA 0.869 5.189 4.320 -0.001 0.000 0.234 64 K C -1.777 174.596 176.600 -0.379 0.000 1.054 64 K CA -0.634 55.435 56.287 -0.364 0.000 0.879 64 K CB 1.478 33.805 32.500 -0.287 0.000 1.252 64 K HN 0.515 nan 8.250 nan 0.000 0.471 65 L N 2.176 123.250 121.223 -0.248 0.000 2.830 65 L HA 0.235 4.575 4.340 -0.001 0.000 0.259 65 L C -1.160 175.623 176.870 -0.145 0.000 0.943 65 L CA -0.389 54.332 54.840 -0.198 0.000 0.997 65 L CB 1.889 43.837 42.059 -0.185 0.000 1.427 65 L HN 1.000 nan 8.230 nan 0.000 0.456 66 T N -1.359 113.114 114.554 -0.134 0.000 2.754 66 T HA 0.430 4.779 4.350 -0.001 0.000 0.296 66 T C 0.006 174.668 174.700 -0.064 0.000 1.205 66 T CA -0.634 61.412 62.100 -0.090 0.000 1.009 66 T CB 1.827 70.643 68.868 -0.086 0.000 1.368 66 T HN 0.508 nan 8.240 nan 0.000 0.509 67 N N 0.216 118.911 118.700 -0.008 0.000 2.714 67 N HA -0.138 4.602 4.740 -0.001 0.000 0.252 67 N C -0.551 175.045 175.510 0.145 0.000 1.014 67 N CA 1.025 54.116 53.050 0.068 0.000 0.735 67 N CB -1.421 37.124 38.487 0.097 0.000 0.924 67 N HN 0.779 nan 8.380 nan 0.000 0.540 68 T N 0.517 115.125 114.554 0.090 0.000 2.867 68 T HA 0.311 4.660 4.350 -0.001 0.000 0.297 68 T C 0.987 175.756 174.700 0.116 0.000 0.989 68 T CA 0.471 62.636 62.100 0.109 0.000 1.159 68 T CB 0.583 69.481 68.868 0.050 0.000 0.928 68 T HN 0.406 nan 8.240 nan 0.000 0.538 69 T N -0.213 114.424 114.554 0.139 0.000 2.864 69 T HA 0.838 5.188 4.350 -0.001 0.000 0.289 69 T C -0.453 174.285 174.700 0.064 0.000 1.082 69 T CA -0.867 61.284 62.100 0.085 0.000 1.009 69 T CB 2.347 71.252 68.868 0.063 0.000 1.234 69 T HN 0.641 nan 8.240 nan 0.000 0.526 70 T N -0.468 114.102 114.554 0.027 0.000 2.977 70 T HA 0.499 4.848 4.350 -0.001 0.000 0.345 70 T C -2.512 172.179 174.700 -0.015 0.000 1.562 70 T CA -0.604 61.500 62.100 0.008 0.000 1.090 70 T CB 1.858 70.739 68.868 0.022 0.000 1.383 70 T HN 1.031 nan 8.240 nan 0.000 0.484 71 D N 1.805 122.182 120.400 -0.038 0.000 2.620 71 D HA 0.575 5.214 4.640 -0.001 0.000 0.252 71 D C -0.808 175.466 176.300 -0.043 0.000 1.207 71 D CA -0.349 53.627 54.000 -0.039 0.000 0.884 71 D CB 1.577 42.347 40.800 -0.049 0.000 1.262 71 D HN 0.650 nan 8.370 nan 0.000 0.552 72 S N 3.514 119.201 115.700 -0.023 0.000 2.596 72 S HA 0.649 5.119 4.470 -0.001 0.000 0.318 72 S C -0.112 174.485 174.600 -0.006 0.000 1.097 72 S CA -1.156 57.035 58.200 -0.015 0.000 1.080 72 S CB 1.489 64.688 63.200 -0.003 0.000 0.991 72 S HN 0.320 nan 8.310 nan 0.000 0.471 73 R N 1.325 121.824 120.500 -0.002 0.000 2.528 73 R HA 0.456 4.796 4.340 -0.001 0.000 0.271 73 R C -0.086 176.219 176.300 0.008 0.000 1.056 73 R CA -0.755 55.347 56.100 0.003 0.000 1.117 73 R CB 0.448 30.753 30.300 0.009 0.000 1.085 73 R HN 0.745 nan 8.270 nan 0.000 0.530 74 c N 2.171 120.774 118.600 0.005 0.000 2.534 74 c HA 0.157 4.726 4.570 -0.001 0.000 0.385 74 c C -0.774 173.323 174.090 0.012 0.000 1.264 74 c CA -1.275 55.057 56.329 0.005 0.000 2.342 74 c CB 0.843 43.350 42.510 -0.005 0.000 2.564 74 c HN 0.578 nan 8.230 nan 0.000 0.603 75 P HA -0.222 nan 4.420 nan 0.000 0.222 75 P C 1.420 178.735 177.300 0.024 0.000 1.154 75 P CA 2.911 66.027 63.100 0.027 0.000 0.874 75 P CB -0.032 31.689 31.700 0.035 0.000 0.787 76 T N -3.644 110.921 114.554 0.018 0.000 2.866 76 T HA -0.063 4.287 4.350 -0.001 0.000 0.250 76 T C 1.673 176.380 174.700 0.012 0.000 1.033 76 T CA 0.378 62.488 62.100 0.016 0.000 1.145 76 T CB -1.166 67.710 68.868 0.013 0.000 0.866 76 T HN 0.188 nan 8.240 nan 0.000 0.434 77 Q N 1.835 121.640 119.800 0.008 0.000 2.595 77 Q HA 0.066 4.406 4.340 -0.001 0.000 0.219 77 Q C 1.568 177.574 176.000 0.010 0.000 0.984 77 Q CA 0.655 56.462 55.803 0.006 0.000 0.910 77 Q CB -0.984 27.755 28.738 0.003 0.000 0.956 77 Q HN 0.792 nan 8.270 nan 0.000 0.533 78 G N 1.224 110.033 108.800 0.015 0.000 2.512 78 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.254 78 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.254 78 G C -0.745 174.172 174.900 0.028 0.000 1.199 78 G CA -0.221 44.890 45.100 0.019 0.000 0.941 78 G HN 0.345 nan 8.290 nan 0.000 0.569 79 E N 1.783 122.003 120.200 0.034 0.000 2.301 79 E HA 0.440 4.790 4.350 -0.001 0.000 0.275 79 E C -2.235 174.401 176.600 0.060 0.000 1.030 79 E CA -1.501 54.937 56.400 0.062 0.000 0.852 79 E CB 1.265 31.005 29.700 0.066 0.000 1.060 79 E HN 0.148 nan 8.360 nan 0.000 0.401 80 P HA 0.104 nan 4.420 nan 0.000 0.272 80 P C -0.948 176.365 177.300 0.022 0.000 1.230 80 P CA 0.152 63.255 63.100 0.004 0.000 0.788 80 P CB 0.750 32.392 31.700 -0.097 0.000 0.949 81 T N 1.935 116.476 114.554 -0.021 0.000 3.295 81 T HA 0.476 4.826 4.350 -0.001 0.000 0.331 81 T C -1.052 173.624 174.700 -0.040 0.000 1.142 81 T CA -0.406 61.688 62.100 -0.010 0.000 1.078 81 T CB 0.389 69.260 68.868 0.004 0.000 1.150 81 T HN 0.112 nan 8.240 nan 0.000 0.465 82 L N 2.985 124.178 121.223 -0.050 0.000 2.410 82 L HA 0.505 4.844 4.340 -0.001 0.000 0.270 82 L C 1.211 178.026 176.870 -0.092 0.000 0.983 82 L CA -0.938 53.856 54.840 -0.077 0.000 0.822 82 L CB 2.000 44.004 42.059 -0.091 0.000 1.285 82 L HN 0.588 nan 8.230 nan 0.000 0.409 83 N N 0.863 119.498 118.700 -0.109 0.000 2.443 83 N HA -0.160 4.580 4.740 -0.001 0.000 0.184 83 N C 0.859 176.256 175.510 -0.188 0.000 1.037 83 N CA 1.052 54.031 53.050 -0.118 0.000 0.896 83 N CB 0.437 38.861 38.487 -0.104 0.000 0.959 83 N HN 0.604 nan 8.380 nan 0.000 0.442 84 E N 0.966 120.986 120.200 -0.299 0.000 2.265 84 E HA -0.100 4.250 4.350 -0.001 0.000 0.196 84 E C 1.263 177.717 176.600 -0.243 0.000 0.996 84 E CA 0.559 56.628 56.400 -0.553 0.000 0.832 84 E CB -0.083 29.133 29.700 -0.806 0.000 0.756 84 E HN 0.424 nan 8.360 nan 0.000 0.491 85 E N -0.154 119.978 120.200 -0.112 0.000 2.401 85 E HA -0.190 4.160 4.350 -0.001 0.000 0.199 85 E C 1.274 177.870 176.600 -0.008 0.000 1.023 85 E CA 0.602 56.991 56.400 -0.019 0.000 0.859 85 E CB 0.121 29.823 29.700 0.004 0.000 0.780 85 E HN 0.174 nan 8.360 nan 0.000 0.523 86 Q N 0.033 119.811 119.800 -0.037 0.000 2.402 86 Q HA 0.035 4.374 4.340 -0.001 0.000 0.231 86 Q C 0.186 176.190 176.000 0.007 0.000 0.888 86 Q CA 0.191 55.984 55.803 -0.016 0.000 0.938 86 Q CB 0.590 29.312 28.738 -0.028 0.000 1.086 86 Q HN 0.054 nan 8.270 nan 0.000 0.543 87 D N 0.931 121.330 120.400 -0.003 0.000 2.412 87 D HA -0.043 4.596 4.640 -0.001 0.000 0.257 87 D C 0.067 176.479 176.300 0.188 0.000 1.217 87 D CA 0.280 54.339 54.000 0.098 0.000 0.897 87 D CB 0.704 41.570 40.800 0.110 0.000 1.132 87 D HN 0.017 nan 8.370 nan 0.000 0.493 88 K N 2.579 123.053 120.400 0.124 0.000 2.555 88 K HA -0.005 4.315 4.320 -0.001 0.000 0.193 88 K C 1.564 178.232 176.600 0.113 0.000 1.032 88 K CA 0.337 56.676 56.287 0.087 0.000 1.004 88 K CB 0.377 32.887 32.500 0.016 0.000 0.804 88 K HN 0.302 nan 8.250 nan 0.000 0.496 89 R N -0.819 119.806 120.500 0.210 0.000 2.280 89 R HA 0.099 4.438 4.340 -0.001 0.000 0.195 89 R C -0.220 176.115 176.300 0.059 0.000 0.935 89 R CA 0.121 56.303 56.100 0.135 0.000 1.033 89 R CB 0.306 30.674 30.300 0.114 0.000 0.964 89 R HN -0.030 nan 8.270 nan 0.000 0.489 90 F N -0.353 119.642 119.950 0.076 0.000 2.399 90 F HA 0.319 4.847 4.527 0.002 0.000 0.328 90 F C 0.251 176.110 175.800 0.097 0.000 1.084 90 F CA -1.012 57.046 58.000 0.097 0.000 1.053 90 F CB 1.263 40.309 39.000 0.078 0.000 1.209 90 F HN -0.370 nan 8.300 nan 0.000 0.502 91 V N 3.039 123.132 119.914 0.299 0.000 2.495 91 V HA 0.655 4.774 4.120 -0.001 0.000 0.298 91 V C -1.021 175.309 176.094 0.393 0.000 1.031 91 V CA -0.413 62.059 62.300 0.288 0.000 0.871 91 V CB 0.957 32.957 31.823 0.294 0.000 0.988 91 V HN 0.920 nan 8.190 nan 0.000 0.432 92 c N 4.973 123.715 118.600 0.238 0.000 2.971 92 c HA 0.934 5.504 4.570 -0.001 0.000 0.310 92 c C -0.537 173.348 174.090 -0.342 0.000 1.285 92 c CA -1.045 55.335 56.329 0.084 0.000 1.593 92 c CB 1.902 44.452 42.510 0.067 0.000 2.076 92 c HN 0.985 nan 8.230 nan 0.000 0.472 93 K N 0.461 120.545 120.400 -0.526 0.000 2.575 93 K HA 0.357 4.676 4.320 -0.001 0.000 0.255 93 K C -1.305 175.127 176.600 -0.280 0.000 0.953 93 K CA -0.164 55.749 56.287 -0.623 0.000 0.840 93 K CB 0.534 32.078 32.500 -1.593 0.000 1.303 93 K HN 0.937 nan 8.250 nan 0.000 0.438 94 H N 1.537 120.481 119.070 -0.211 0.000 2.511 94 H HA 0.527 5.083 4.556 -0.000 0.000 0.346 94 H C -0.569 174.709 175.328 -0.084 0.000 1.128 94 H CA -0.196 55.787 56.048 -0.109 0.000 1.342 94 H CB 2.002 31.717 29.762 -0.077 0.000 1.470 94 H HN 0.605 nan 8.280 nan 0.000 0.546 95 S N 1.692 117.421 115.700 0.048 0.000 2.643 95 S HA 0.441 4.911 4.470 -0.001 0.000 0.270 95 S C -1.378 173.245 174.600 0.038 0.000 1.166 95 S CA -0.856 57.366 58.200 0.037 0.000 0.815 95 S CB 1.381 64.597 63.200 0.026 0.000 1.139 95 S HN 0.428 nan 8.310 nan 0.000 0.472 96 M N 2.602 122.224 119.600 0.036 0.000 2.598 96 M HA 0.666 5.145 4.480 -0.001 0.000 0.317 96 M C -0.746 175.576 176.300 0.037 0.000 1.179 96 M CA -0.746 54.576 55.300 0.037 0.000 0.936 96 M CB 1.257 33.879 32.600 0.037 0.000 1.713 96 M HN 0.661 nan 8.290 nan 0.000 0.460 97 V N -1.579 118.359 119.914 0.039 0.000 3.087 97 V HA 0.566 4.685 4.120 -0.001 0.000 0.306 97 V C -0.843 175.281 176.094 0.051 0.000 1.187 97 V CA -1.113 61.214 62.300 0.045 0.000 0.999 97 V CB 2.157 34.006 31.823 0.043 0.000 1.049 97 V HN 0.734 nan 8.190 nan 0.000 0.431 98 D N 2.895 123.330 120.400 0.059 0.000 2.424 98 D HA 0.443 5.082 4.640 -0.001 0.000 0.244 98 D C -0.123 176.221 176.300 0.074 0.000 1.134 98 D CA 0.173 54.215 54.000 0.070 0.000 0.881 98 D CB 0.794 41.638 40.800 0.073 0.000 1.191 98 D HN 0.437 nan 8.370 nan 0.000 0.445 99 R N 0.629 121.180 120.500 0.084 0.000 2.837 99 R HA 0.867 5.206 4.340 -0.001 0.000 0.271 99 R C 0.283 176.635 176.300 0.086 0.000 0.993 99 R CA -1.051 55.090 56.100 0.069 0.000 0.931 99 R CB 2.033 32.355 30.300 0.038 0.000 1.206 99 R HN 0.623 nan 8.270 nan 0.000 0.474 100 G N -0.537 108.278 108.800 0.026 0.000 2.342 100 G HA2 0.189 4.149 3.960 -0.001 0.000 0.297 100 G HA3 0.189 4.149 3.960 -0.001 0.000 0.297 100 G C -0.571 174.311 174.900 -0.030 0.000 1.313 100 G CA -0.749 44.257 45.100 -0.156 0.000 0.830 100 G HN 0.373 nan 8.290 nan 0.000 0.506 101 W N 0.380 121.427 121.300 -0.421 0.000 2.308 101 W HA -0.066 4.593 4.660 -0.001 0.000 0.301 101 W C 2.484 178.982 176.519 -0.035 0.000 1.220 101 W CA 1.837 59.076 57.345 -0.176 0.000 1.240 101 W CB -1.140 28.287 29.460 -0.056 0.000 1.142 101 W HN 0.742 nan 8.180 nan 0.000 0.521 102 G N 0.093 109.056 108.800 0.271 0.000 2.470 102 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.220 102 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.220 102 G C 0.974 175.940 174.900 0.109 0.000 1.121 102 G CA 1.147 46.354 45.100 0.177 0.000 0.766 102 G HN 0.565 nan 8.290 nan 0.000 0.553 103 N N -2.028 116.727 118.700 0.091 0.000 2.241 103 N HA 0.323 5.063 4.740 -0.001 0.000 0.238 103 N C 0.872 176.401 175.510 0.033 0.000 1.244 103 N CA 0.150 53.233 53.050 0.056 0.000 0.880 103 N CB 0.873 39.393 38.487 0.054 0.000 1.179 103 N HN 0.249 nan 8.380 nan 0.000 0.513 104 G N 0.558 109.373 108.800 0.025 0.000 2.173 104 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.174 104 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.174 104 G C -0.472 174.415 174.900 -0.021 0.000 1.025 104 G CA -0.339 44.757 45.100 -0.006 0.000 0.706 104 G HN 0.403 nan 8.290 nan 0.000 0.499 105 c N -0.853 117.734 118.600 -0.021 0.000 2.797 105 c HA 0.764 5.333 4.570 -0.001 0.000 0.306 105 c C 1.750 175.817 174.090 -0.039 0.000 1.207 105 c CA 0.185 56.490 56.329 -0.040 0.000 1.507 105 c CB 1.573 44.058 42.510 -0.041 0.000 2.028 105 c HN 0.729 nan 8.230 nan 0.000 0.475 106 G N 0.812 109.581 108.800 -0.051 0.000 2.494 106 G HA2 0.147 4.106 3.960 -0.001 0.000 0.216 106 G HA3 0.147 4.106 3.960 -0.001 0.000 0.216 106 G C 0.527 175.484 174.900 0.096 0.000 1.140 106 G CA 0.628 45.715 45.100 -0.021 0.000 0.801 106 G HN 0.568 nan 8.290 nan 0.000 0.536 107 L N -0.296 120.900 121.223 -0.045 0.000 2.400 107 L HA 0.583 4.923 4.340 -0.001 0.000 0.264 107 L C -0.762 175.921 176.870 -0.311 0.000 1.061 107 L CA -0.594 54.193 54.840 -0.088 0.000 0.799 107 L CB 1.331 43.397 42.059 0.012 0.000 1.240 107 L HN -0.027 nan 8.230 nan 0.000 0.461 108 F N -0.442 119.529 119.950 0.035 0.000 2.520 108 F HA 0.741 5.267 4.527 -0.001 0.000 0.322 108 F C 0.611 176.411 175.800 -0.000 0.000 1.103 108 F CA -0.265 57.727 58.000 -0.012 0.000 0.926 108 F CB 1.986 40.934 39.000 -0.088 0.000 1.154 108 F HN 0.554 nan 8.300 nan 0.000 0.453 109 G N 2.041 110.953 108.800 0.188 0.000 2.362 109 G HA2 0.136 4.096 3.960 -0.001 0.000 0.288 109 G HA3 0.136 4.096 3.960 -0.001 0.000 0.288 109 G C -1.920 173.027 174.900 0.079 0.000 1.305 109 G CA -1.286 43.880 45.100 0.110 0.000 0.910 109 G HN 0.270 nan 8.290 nan 0.000 0.518 110 K N 0.363 120.799 120.400 0.059 0.000 2.276 110 K HA 0.559 4.879 4.320 -0.001 0.000 0.283 110 K C 0.471 177.097 176.600 0.043 0.000 1.044 110 K CA 0.197 56.513 56.287 0.049 0.000 0.944 110 K CB 1.250 33.775 32.500 0.041 0.000 1.012 110 K HN 0.969 nan 8.250 nan 0.000 0.472 111 G N 0.825 109.649 108.800 0.039 0.000 2.448 111 G HA2 0.539 4.498 3.960 -0.001 0.000 0.324 111 G HA3 0.539 4.498 3.960 -0.001 0.000 0.324 111 G C -0.259 174.660 174.900 0.031 0.000 1.203 111 G CA -0.736 44.383 45.100 0.032 0.000 0.954 111 G HN 0.511 nan 8.290 nan 0.000 0.480 112 G N -0.458 108.360 108.800 0.031 0.000 2.507 112 G HA2 0.603 4.563 3.960 -0.001 0.000 0.271 112 G HA3 0.603 4.563 3.960 -0.001 0.000 0.271 112 G C -0.096 174.808 174.900 0.007 0.000 1.189 112 G CA -0.452 44.670 45.100 0.036 0.000 0.859 112 G HN 0.991 nan 8.290 nan 0.000 0.542 113 I N -1.934 118.625 120.570 -0.018 0.000 3.074 113 I HA 0.809 4.979 4.170 -0.001 0.000 0.310 113 I C -1.188 174.808 176.117 -0.202 0.000 1.153 113 I CA -1.477 59.781 61.300 -0.070 0.000 0.993 113 I CB 2.407 40.389 38.000 -0.030 0.000 1.237 113 I HN 0.483 nan 8.210 nan 0.000 0.443 114 V N 1.640 121.411 119.914 -0.237 0.000 2.697 114 V HA 0.534 4.654 4.120 -0.001 0.000 0.300 114 V C -0.971 175.040 176.094 -0.137 0.000 1.115 114 V CA 0.293 62.368 62.300 -0.375 0.000 0.912 114 V CB 2.102 33.508 31.823 -0.696 0.000 1.024 114 V HN 0.962 nan 8.190 nan 0.000 0.431 115 T N 6.201 120.736 114.554 -0.032 0.000 2.823 115 T HA 0.698 5.048 4.350 -0.001 0.000 0.279 115 T C -0.660 174.174 174.700 0.224 0.000 0.998 115 T CA -0.261 61.911 62.100 0.121 0.000 0.994 115 T CB 1.165 70.173 68.868 0.234 0.000 0.960 115 T HN 0.870 nan 8.240 nan 0.000 0.448 116 c N 2.101 120.841 118.600 0.234 0.000 2.898 116 c HA 0.988 5.558 4.570 -0.001 0.000 0.304 116 c C -0.305 174.008 174.090 0.372 0.000 1.237 116 c CA -0.755 55.774 56.329 0.332 0.000 1.529 116 c CB 1.204 43.874 42.510 0.268 0.000 2.021 116 c HN 1.075 nan 8.230 nan 0.000 0.474 117 A N 2.229 125.278 122.820 0.381 0.000 2.517 117 A HA 0.725 5.045 4.320 -0.001 0.000 0.297 117 A C -0.862 176.630 177.584 -0.155 0.000 1.050 117 A CA -0.376 51.754 52.037 0.155 0.000 0.694 117 A CB 1.125 20.143 19.000 0.031 0.000 1.277 117 A HN 0.983 nan 8.150 nan 0.000 0.400 118 M N 2.607 121.827 119.600 -0.633 0.000 2.219 118 M HA 0.446 4.925 4.480 -0.001 0.000 0.353 118 M C -1.095 175.033 176.300 -0.287 0.000 1.304 118 M CA 0.033 54.783 55.300 -0.916 0.000 1.115 118 M CB 0.039 32.044 32.600 -0.992 0.000 1.664 118 M HN 0.683 nan 8.290 nan 0.000 0.459 119 F N 4.677 124.439 119.950 -0.314 0.000 2.404 119 F HA 0.545 5.074 4.527 0.004 0.000 0.339 119 F C -0.972 174.722 175.800 -0.176 0.000 1.105 119 F CA -0.151 57.731 58.000 -0.197 0.000 1.087 119 F CB 1.203 40.124 39.000 -0.131 0.000 1.143 119 F HN 0.518 nan 8.300 nan 0.000 0.491 120 T N 5.713 120.073 114.554 -0.325 0.000 2.928 120 T HA 0.224 4.574 4.350 -0.001 0.000 0.296 120 T C -1.243 173.181 174.700 -0.459 0.000 1.000 120 T CA -0.543 61.444 62.100 -0.190 0.000 0.989 120 T CB 0.908 69.687 68.868 -0.149 0.000 1.005 120 T HN 0.827 nan 8.240 nan 0.000 0.442 121 C N 4.322 123.453 119.300 -0.281 0.000 2.499 121 C HA 0.373 4.833 4.460 -0.001 0.000 0.386 121 C C 1.546 176.420 174.990 -0.193 0.000 1.293 121 C CA -0.120 58.662 59.018 -0.393 0.000 1.884 121 C CB -0.859 26.575 27.740 -0.509 0.000 2.509 121 C HN 0.991 nan 8.230 nan 0.000 0.566 122 K N 2.804 123.076 120.400 -0.213 0.000 2.121 122 K HA 0.097 4.417 4.320 -0.001 0.000 0.203 122 K C 0.338 176.906 176.600 -0.054 0.000 1.041 122 K CA 0.725 56.942 56.287 -0.116 0.000 0.969 122 K CB 0.163 32.584 32.500 -0.132 0.000 0.799 122 K HN 0.642 nan 8.250 nan 0.000 0.456 123 K N 1.251 121.613 120.400 -0.063 0.000 2.426 123 K HA 0.161 4.481 4.320 -0.001 0.000 0.251 123 K C -1.651 174.966 176.600 0.028 0.000 0.941 123 K CA -0.703 55.584 56.287 0.001 0.000 0.808 123 K CB 1.487 33.985 32.500 -0.003 0.000 1.265 123 K HN 0.109 nan 8.250 nan 0.000 0.432 124 N N 2.041 120.805 118.700 0.107 0.000 2.774 124 N HA 0.521 5.261 4.740 -0.001 0.000 0.264 124 N C -1.352 174.285 175.510 0.212 0.000 1.415 124 N CA -0.964 52.194 53.050 0.181 0.000 0.815 124 N CB 1.279 39.947 38.487 0.302 0.000 1.514 124 N HN 0.566 nan 8.380 nan 0.000 0.523 125 M N -1.957 117.809 119.600 0.276 0.000 2.572 125 M HA 0.655 5.135 4.480 -0.001 0.000 0.299 125 M C -1.388 175.130 176.300 0.363 0.000 1.205 125 M CA -0.623 54.859 55.300 0.303 0.000 0.876 125 M CB 2.651 35.440 32.600 0.314 0.000 1.728 125 M HN 0.483 nan 8.290 nan 0.000 0.458 126 E N 0.394 120.794 120.200 0.334 0.000 2.288 126 E HA 0.677 5.027 4.350 -0.001 0.000 0.268 126 E C -0.869 175.920 176.600 0.316 0.000 0.885 126 E CA -1.028 55.565 56.400 0.322 0.000 0.767 126 E CB 2.679 32.504 29.700 0.208 0.000 1.220 126 E HN 0.953 nan 8.360 nan 0.000 0.427 127 G N 2.178 111.165 108.800 0.313 0.000 2.372 127 G HA2 0.458 4.417 3.960 -0.001 0.000 0.323 127 G HA3 0.458 4.417 3.960 -0.001 0.000 0.323 127 G C -0.672 174.151 174.900 -0.128 0.000 1.152 127 G CA -0.447 44.547 45.100 -0.177 0.000 0.906 127 G HN 0.214 nan 8.290 nan 0.000 0.460 128 K N 1.859 122.172 120.400 -0.146 0.000 2.318 128 K HA 0.426 4.746 4.320 -0.001 0.000 0.249 128 K C -0.915 175.643 176.600 -0.071 0.000 0.942 128 K CA -1.008 55.243 56.287 -0.061 0.000 0.808 128 K CB 2.656 35.153 32.500 -0.004 0.000 1.189 128 K HN 0.214 nan 8.250 nan 0.000 0.428 129 I N 3.182 123.738 120.570 -0.023 0.000 2.304 129 I HA 0.164 4.334 4.170 -0.001 0.000 0.291 129 I C 0.010 176.153 176.117 0.044 0.000 1.018 129 I CA -0.672 60.630 61.300 0.003 0.000 1.260 129 I CB 1.063 39.070 38.000 0.013 0.000 1.390 129 I HN 0.259 nan 8.210 nan 0.000 0.475 130 V N 6.932 126.901 119.914 0.092 0.000 2.481 130 V HA 0.383 4.503 4.120 -0.001 0.000 0.286 130 V C 0.119 176.301 176.094 0.147 0.000 1.042 130 V CA -0.775 61.610 62.300 0.142 0.000 0.928 130 V CB 1.399 33.380 31.823 0.264 0.000 0.986 130 V HN 0.594 nan 8.190 nan 0.000 0.462 131 Q N 4.235 124.069 119.800 0.056 0.000 2.394 131 Q HA 0.315 4.655 4.340 -0.001 0.000 0.261 131 Q C -2.299 173.686 176.000 -0.026 0.000 1.023 131 Q CA -1.766 54.048 55.803 0.018 0.000 0.720 131 Q CB 2.251 31.008 28.738 0.031 0.000 1.241 131 Q HN 0.392 nan 8.270 nan 0.000 0.483 132 P HA -0.283 nan 4.420 nan 0.000 0.206 132 P C 0.657 178.023 177.300 0.109 0.000 1.142 132 P CA 1.640 64.746 63.100 0.009 0.000 0.946 132 P CB 0.418 32.089 31.700 -0.048 0.000 0.777 133 E N -0.731 119.510 120.200 0.068 0.000 2.571 133 E HA -0.299 4.051 4.350 -0.001 0.000 0.249 133 E C 1.430 178.085 176.600 0.091 0.000 1.061 133 E CA 2.257 58.698 56.400 0.068 0.000 1.264 133 E CB -1.599 28.122 29.700 0.035 0.000 1.145 133 E HN 0.329 nan 8.360 nan 0.000 0.484 134 N N 0.417 119.154 118.700 0.062 0.000 2.521 134 N HA 0.029 4.768 4.740 -0.001 0.000 0.188 134 N C 0.118 175.647 175.510 0.031 0.000 1.146 134 N CA 0.415 53.493 53.050 0.046 0.000 0.893 134 N CB 0.009 38.513 38.487 0.029 0.000 0.975 134 N HN 0.191 nan 8.380 nan 0.000 0.451 135 L N 0.530 121.777 121.223 0.041 0.000 2.456 135 L HA 0.250 4.589 4.340 -0.001 0.000 0.257 135 L C 0.759 177.529 176.870 -0.166 0.000 1.162 135 L CA -0.340 54.436 54.840 -0.108 0.000 0.808 135 L CB 0.847 42.775 42.059 -0.219 0.000 1.136 135 L HN 0.028 nan 8.230 nan 0.000 0.466 136 E N 0.771 120.792 120.200 -0.299 0.000 2.176 136 E HA 0.338 4.688 4.350 -0.001 0.000 0.267 136 E C -1.829 174.567 176.600 -0.340 0.000 0.893 136 E CA -0.622 55.679 56.400 -0.165 0.000 0.761 136 E CB 1.241 30.904 29.700 -0.063 0.000 1.133 136 E HN 0.313 nan 8.360 nan 0.000 0.409 137 Y N 1.386 121.677 120.300 -0.014 0.000 2.387 137 Y HA 0.304 4.854 4.550 0.000 0.000 0.336 137 Y C 0.489 176.366 175.900 -0.037 0.000 1.067 137 Y CA -0.791 57.284 58.100 -0.041 0.000 1.114 137 Y CB 2.076 40.475 38.460 -0.101 0.000 1.208 137 Y HN 0.380 nan 8.280 nan 0.000 0.458 138 T N 0.197 114.801 114.554 0.084 0.000 2.770 138 T HA 0.768 5.117 4.350 -0.001 0.000 0.283 138 T C -1.031 173.683 174.700 0.024 0.000 0.988 138 T CA -0.657 61.469 62.100 0.043 0.000 0.957 138 T CB 0.544 69.423 68.868 0.019 0.000 0.930 138 T HN 0.373 nan 8.240 nan 0.000 0.443 139 V N 3.872 123.804 119.914 0.029 0.000 2.604 139 V HA 0.579 4.699 4.120 -0.001 0.000 0.305 139 V C -0.251 175.851 176.094 0.013 0.000 1.043 139 V CA -0.900 61.416 62.300 0.026 0.000 0.888 139 V CB 2.104 33.966 31.823 0.065 0.000 0.995 139 V HN 0.891 nan 8.190 nan 0.000 0.429 140 V N 5.748 125.655 119.914 -0.012 0.000 2.398 140 V HA 0.512 4.631 4.120 -0.001 0.000 0.286 140 V C -0.203 175.805 176.094 -0.144 0.000 1.026 140 V CA -0.355 61.912 62.300 -0.055 0.000 0.868 140 V CB 1.540 33.335 31.823 -0.047 0.000 0.982 140 V HN 0.655 nan 8.190 nan 0.000 0.443 141 I N 3.965 124.409 120.570 -0.210 0.000 2.354 141 I HA 0.472 4.641 4.170 -0.001 0.000 0.292 141 I C -0.083 175.860 176.117 -0.290 0.000 0.989 141 I CA -0.119 60.914 61.300 -0.445 0.000 1.188 141 I CB 1.883 39.594 38.000 -0.483 0.000 1.342 141 I HN 0.510 nan 8.210 nan 0.000 0.457 142 T N 6.829 121.199 114.554 -0.307 0.000 2.991 142 T HA 0.307 4.657 4.350 -0.001 0.000 0.347 142 T C -2.540 172.053 174.700 -0.178 0.000 1.122 142 T CA -1.277 60.718 62.100 -0.176 0.000 1.062 142 T CB 1.060 69.851 68.868 -0.128 0.000 1.043 142 T HN 0.351 nan 8.240 nan 0.000 0.491 143 P HA 0.046 nan 4.420 nan 0.000 0.268 143 P C -0.272 176.970 177.300 -0.097 0.000 1.205 143 P CA -0.271 62.683 63.100 -0.243 0.000 0.771 143 P CB 0.600 31.994 31.700 -0.511 0.000 0.858 144 H N 1.617 120.549 119.070 -0.230 0.000 3.195 144 H HA 0.037 4.593 4.556 -0.001 0.000 0.241 144 H C 1.541 176.815 175.328 -0.090 0.000 1.823 144 H CA -0.028 55.931 56.048 -0.148 0.000 1.466 144 H CB 0.039 29.716 29.762 -0.142 0.000 1.819 144 H HN 0.484 nan 8.280 nan 0.000 0.575 145 S N 1.019 116.743 115.700 0.040 0.000 2.414 145 S HA -0.023 4.446 4.470 -0.001 0.000 0.227 145 S C 1.891 176.533 174.600 0.070 0.000 1.022 145 S CA 0.561 58.842 58.200 0.135 0.000 0.958 145 S CB 0.291 63.607 63.200 0.193 0.000 0.797 145 S HN 0.745 nan 8.310 nan 0.000 0.493 146 G N 0.807 109.604 108.800 -0.005 0.000 2.141 146 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.242 146 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.242 146 G C -0.181 174.713 174.900 -0.011 0.000 0.982 146 G CA 0.161 45.242 45.100 -0.033 0.000 0.662 146 G HN 0.618 nan 8.290 nan 0.000 0.527 147 E N 0.876 121.091 120.200 0.025 0.000 2.452 147 E HA 0.048 4.398 4.350 -0.001 0.000 0.261 147 E C 1.399 178.007 176.600 0.014 0.000 0.987 147 E CA 0.322 56.765 56.400 0.071 0.000 0.926 147 E CB 0.354 30.165 29.700 0.184 0.000 0.934 147 E HN 0.521 nan 8.360 nan 0.000 0.452 148 E N 3.226 123.417 120.200 -0.016 0.000 2.279 148 E HA -0.280 4.070 4.350 -0.001 0.000 0.205 148 E C 0.244 176.602 176.600 -0.404 0.000 1.028 148 E CA 1.626 57.903 56.400 -0.205 0.000 0.830 148 E CB 0.023 29.561 29.700 -0.270 0.000 0.736 148 E HN 0.538 nan 8.360 nan 0.000 0.478 149 H N -2.445 116.663 119.070 0.063 0.000 2.923 149 H HA 0.352 4.907 4.556 -0.000 0.000 0.268 149 H C 1.269 176.488 175.328 -0.182 0.000 1.148 149 H CA 0.281 56.352 56.048 0.038 0.000 1.146 149 H CB 0.845 30.695 29.762 0.146 0.000 1.607 149 H HN 0.187 nan 8.280 nan 0.000 0.566 150 A N 0.854 123.521 122.820 -0.255 0.000 1.865 150 A HA -0.106 4.214 4.320 -0.001 0.000 0.217 150 A C 1.091 178.395 177.584 -0.467 0.000 1.191 150 A CA 0.816 52.440 52.037 -0.688 0.000 0.623 150 A CB -0.763 18.030 19.000 -0.346 0.000 0.826 150 A HN 0.159 nan 8.150 nan 0.000 0.444 151 V N 1.006 120.749 119.914 -0.284 0.000 2.707 151 V HA 0.162 4.282 4.120 -0.001 0.000 0.291 151 V C 1.643 177.639 176.094 -0.164 0.000 1.002 151 V CA 1.279 63.450 62.300 -0.214 0.000 1.200 151 V CB -1.426 30.308 31.823 -0.148 0.000 0.854 151 V HN 1.318 nan 8.190 nan 0.000 0.462 152 G N 4.126 112.830 108.800 -0.160 0.000 2.233 152 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.270 152 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.270 152 G C 0.436 175.284 174.900 -0.085 0.000 1.011 152 G CA 0.518 45.558 45.100 -0.101 0.000 0.762 152 G HN 0.863 nan 8.290 nan 0.000 0.511 153 N N 0.867 119.488 118.700 -0.133 0.000 2.400 153 N HA 0.090 4.830 4.740 -0.001 0.000 0.267 153 N C -0.731 174.771 175.510 -0.014 0.000 1.208 153 N CA -0.029 52.980 53.050 -0.068 0.000 0.951 153 N CB 0.309 38.726 38.487 -0.116 0.000 1.227 153 N HN 0.194 nan 8.380 nan 0.000 0.488 154 D N 3.438 123.839 120.400 0.002 0.000 2.517 154 D HA 0.152 4.792 4.640 -0.001 0.000 0.220 154 D C -0.142 176.173 176.300 0.025 0.000 1.158 154 D CA 0.070 54.075 54.000 0.009 0.000 0.992 154 D CB 0.293 41.097 40.800 0.006 0.000 1.058 154 D HN 0.511 nan 8.370 nan 0.000 0.516 155 T N -0.453 114.126 114.554 0.040 0.000 3.200 155 T HA 0.197 4.547 4.350 -0.001 0.000 0.259 155 T C 1.174 175.895 174.700 0.034 0.000 0.855 155 T CA 0.223 62.347 62.100 0.040 0.000 0.865 155 T CB 0.617 69.518 68.868 0.056 0.000 1.270 155 T HN 0.360 nan 8.240 nan 0.000 0.563 156 G N 2.073 110.903 108.800 0.049 0.000 2.199 156 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.254 156 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.254 156 G C 0.971 175.883 174.900 0.020 0.000 0.982 156 G CA 0.633 45.750 45.100 0.029 0.000 0.632 156 G HN 0.327 nan 8.290 nan 0.000 0.529 157 K N 0.032 120.437 120.400 0.009 0.000 2.418 157 K HA 0.157 4.476 4.320 -0.001 0.000 0.195 157 K C 1.568 178.090 176.600 -0.129 0.000 1.035 157 K CA 0.870 57.112 56.287 -0.075 0.000 1.003 157 K CB -0.210 32.212 32.500 -0.129 0.000 0.793 157 K HN 0.673 nan 8.250 nan 0.000 0.494 158 H N -1.254 117.804 119.070 -0.020 0.000 2.548 158 H HA 0.180 4.736 4.556 -0.001 0.000 0.265 158 H C 0.940 176.248 175.328 -0.033 0.000 0.969 158 H CA 0.557 56.593 56.048 -0.019 0.000 1.155 158 H CB 0.673 30.418 29.762 -0.028 0.000 1.394 158 H HN 0.119 nan 8.280 nan 0.000 0.570 159 G N -0.696 108.138 108.800 0.057 0.000 2.730 159 G HA2 0.458 4.417 3.960 -0.001 0.000 0.289 159 G HA3 0.458 4.417 3.960 -0.001 0.000 0.289 159 G C -1.188 173.702 174.900 -0.017 0.000 1.341 159 G CA -0.824 44.274 45.100 -0.003 0.000 0.932 159 G HN -0.056 nan 8.290 nan 0.000 0.481 160 K N 0.061 120.439 120.400 -0.036 0.000 2.110 160 K HA 0.458 4.777 4.320 -0.001 0.000 0.263 160 K C -0.363 176.221 176.600 -0.028 0.000 0.975 160 K CA -0.393 55.879 56.287 -0.025 0.000 0.895 160 K CB 1.408 33.895 32.500 -0.022 0.000 1.060 160 K HN 0.461 nan 8.250 nan 0.000 0.448 161 E N 2.060 122.253 120.200 -0.012 0.000 2.166 161 E HA 0.399 4.748 4.350 -0.001 0.000 0.275 161 E C -1.234 175.369 176.600 0.006 0.000 0.941 161 E CA -0.956 55.441 56.400 -0.005 0.000 0.784 161 E CB 1.205 30.905 29.700 -0.001 0.000 1.115 161 E HN 0.412 nan 8.360 nan 0.000 0.399 162 V N 1.184 121.107 119.914 0.016 0.000 2.735 162 V HA 0.597 4.717 4.120 -0.001 0.000 0.310 162 V C -0.875 175.241 176.094 0.036 0.000 1.061 162 V CA -1.091 61.225 62.300 0.028 0.000 0.913 162 V CB 1.856 33.703 31.823 0.040 0.000 1.005 162 V HN 0.442 nan 8.190 nan 0.000 0.428 163 K N 4.583 125.006 120.400 0.037 0.000 2.235 163 K HA 0.567 4.887 4.320 -0.001 0.000 0.266 163 K C -0.705 175.930 176.600 0.060 0.000 0.980 163 K CA -0.276 56.040 56.287 0.048 0.000 0.849 163 K CB 2.604 35.125 32.500 0.035 0.000 1.098 163 K HN 1.014 nan 8.250 nan 0.000 0.445 164 I N 1.006 121.633 120.570 0.094 0.000 2.337 164 I HA 0.150 4.320 4.170 -0.001 0.000 0.285 164 I C -0.536 175.662 176.117 0.136 0.000 1.041 164 I CA -0.174 61.176 61.300 0.084 0.000 1.199 164 I CB 1.101 39.122 38.000 0.035 0.000 1.370 164 I HN 0.296 nan 8.210 nan 0.000 0.470 165 T N 9.716 124.321 114.554 0.084 0.000 2.743 165 T HA 0.214 4.563 4.350 -0.001 0.000 0.290 165 T C -1.539 173.212 174.700 0.085 0.000 0.908 165 T CA -0.930 61.221 62.100 0.086 0.000 1.092 165 T CB 0.981 69.878 68.868 0.048 0.000 0.882 165 T HN 0.510 nan 8.240 nan 0.000 0.531 166 P HA -0.103 nan 4.420 nan 0.000 0.216 166 P C 0.210 177.540 177.300 0.050 0.000 1.154 166 P CA 1.355 64.504 63.100 0.081 0.000 0.865 166 P CB 0.314 32.087 31.700 0.122 0.000 0.789 167 Q N -1.099 118.732 119.800 0.052 0.000 2.350 167 Q HA 0.479 4.819 4.340 -0.001 0.000 0.255 167 Q C -0.617 175.398 176.000 0.026 0.000 0.951 167 Q CA -0.226 55.596 55.803 0.032 0.000 0.751 167 Q CB 2.388 31.141 28.738 0.026 0.000 1.296 167 Q HN 0.057 nan 8.270 nan 0.000 0.453 168 S N 0.940 116.653 115.700 0.022 0.000 2.707 168 S HA 0.549 5.019 4.470 -0.001 0.000 0.268 168 S C -1.658 172.951 174.600 0.016 0.000 1.004 168 S CA -0.559 57.651 58.200 0.017 0.000 0.902 168 S CB 1.621 64.832 63.200 0.019 0.000 1.157 168 S HN 0.374 nan 8.310 nan 0.000 0.468 169 S N 0.032 115.738 115.700 0.011 0.000 2.567 169 S HA 0.720 5.189 4.470 -0.001 0.000 0.270 169 S C -1.140 173.461 174.600 0.002 0.000 1.152 169 S CA -0.090 58.113 58.200 0.006 0.000 0.835 169 S CB 1.061 64.261 63.200 -0.000 0.000 1.115 169 S HN 2.389 nan 8.310 nan 0.000 0.459 170 I N 2.237 122.804 120.570 -0.004 0.000 8.319 170 I HA -0.168 4.002 4.170 -0.001 0.000 0.126 170 I C -0.718 175.402 176.117 0.004 0.000 1.836 170 I CA 0.769 62.066 61.300 -0.005 0.000 2.073 170 I CB -0.628 37.367 38.000 -0.008 0.000 3.775 170 I HN 0.584 nan 8.210 nan 0.000 0.180 171 T N 7.852 122.411 114.554 0.008 0.000 2.909 171 T HA 0.400 4.750 4.350 -0.001 0.000 0.289 171 T C -0.185 174.528 174.700 0.022 0.000 1.005 171 T CA -0.310 61.800 62.100 0.017 0.000 1.084 171 T CB 1.642 70.524 68.868 0.024 0.000 0.975 171 T HN 0.641 nan 8.240 nan 0.000 0.509 172 E N 0.486 120.701 120.200 0.025 0.000 2.277 172 E HA 0.659 5.009 4.350 -0.001 0.000 0.266 172 E C -1.534 175.085 176.600 0.032 0.000 0.901 172 E CA -0.989 55.428 56.400 0.029 0.000 0.782 172 E CB 1.667 31.381 29.700 0.023 0.000 1.228 172 E HN 0.705 nan 8.360 nan 0.000 0.424 173 A N 3.084 125.926 122.820 0.037 0.000 2.414 173 A HA 0.328 4.647 4.320 -0.001 0.000 0.306 173 A C -0.997 176.608 177.584 0.033 0.000 1.054 173 A CA -0.809 51.249 52.037 0.034 0.000 0.724 173 A CB 1.291 20.314 19.000 0.040 0.000 1.267 173 A HN 0.652 nan 8.150 nan 0.000 0.418 174 E N 3.487 123.704 120.200 0.029 0.000 2.014 174 E HA 0.320 4.669 4.350 -0.001 0.000 0.275 174 E C -1.424 175.201 176.600 0.042 0.000 0.997 174 E CA -0.288 56.132 56.400 0.033 0.000 0.804 174 E CB 0.665 30.380 29.700 0.025 0.000 1.090 174 E HN 0.534 nan 8.360 nan 0.000 0.401 175 L N 3.894 125.156 121.223 0.065 0.000 2.353 175 L HA 0.157 4.497 4.340 -0.001 0.000 0.269 175 L C 0.017 176.986 176.870 0.164 0.000 1.085 175 L CA -0.585 54.319 54.840 0.107 0.000 0.938 175 L CB 0.682 42.797 42.059 0.093 0.000 1.312 175 L HN 0.495 nan 8.230 nan 0.000 0.429 176 T N 2.246 116.863 114.554 0.104 0.000 2.718 176 T HA 0.000 4.350 4.350 -0.001 0.000 0.265 176 T C 1.289 175.979 174.700 -0.016 0.000 1.014 176 T CA 1.425 63.554 62.100 0.049 0.000 1.172 176 T CB 0.333 69.218 68.868 0.029 0.000 1.007 176 T HN 1.016 nan 8.240 nan 0.000 0.500 177 G N 2.728 111.472 108.800 -0.093 0.000 2.234 177 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.260 177 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.260 177 G C 0.527 175.205 174.900 -0.369 0.000 0.987 177 G CA 0.468 45.411 45.100 -0.262 0.000 0.625 177 G HN 0.762 nan 8.290 nan 0.000 0.532 178 Y N 0.297 120.588 120.300 -0.015 0.000 2.430 178 Y HA 0.465 5.015 4.550 -0.001 0.000 0.254 178 Y C 1.901 177.790 175.900 -0.018 0.000 1.088 178 Y CA 0.900 58.986 58.100 -0.023 0.000 1.267 178 Y CB 0.898 39.343 38.460 -0.025 0.000 1.204 178 Y HN 1.134 nan 8.280 nan 0.000 0.515 179 G N -0.112 108.761 108.800 0.122 0.000 2.501 179 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.213 179 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.213 179 G C -0.545 174.396 174.900 0.069 0.000 1.158 179 G CA -0.337 44.808 45.100 0.074 0.000 1.079 179 G HN 0.015 nan 8.290 nan 0.000 0.586 180 T N -0.593 113.994 114.554 0.055 0.000 2.909 180 T HA 0.697 5.046 4.350 -0.001 0.000 0.299 180 T C -0.943 173.786 174.700 0.049 0.000 1.073 180 T CA 0.384 62.512 62.100 0.048 0.000 0.999 180 T CB 2.006 70.897 68.868 0.038 0.000 1.098 180 T HN 1.632 nan 8.240 nan 0.000 0.477 181 V N 1.893 121.838 119.914 0.052 0.000 3.102 181 V HA 0.883 5.003 4.120 -0.001 0.000 0.312 181 V C -0.919 175.212 176.094 0.062 0.000 1.135 181 V CA -0.190 62.148 62.300 0.063 0.000 1.022 181 V CB 2.640 34.515 31.823 0.086 0.000 1.056 181 V HN 0.942 nan 8.190 nan 0.000 0.436 182 T N 5.036 119.627 114.554 0.062 0.000 2.906 182 T HA 0.677 5.027 4.350 -0.001 0.000 0.295 182 T C -0.863 173.858 174.700 0.035 0.000 1.061 182 T CA -0.413 61.715 62.100 0.046 0.000 1.000 182 T CB 1.508 70.399 68.868 0.038 0.000 1.103 182 T HN 0.668 nan 8.240 nan 0.000 0.486 183 M N 2.057 121.668 119.600 0.018 0.000 2.446 183 M HA 0.464 4.943 4.480 -0.001 0.000 0.294 183 M C -1.037 175.246 176.300 -0.029 0.000 1.158 183 M CA -0.619 54.674 55.300 -0.012 0.000 0.899 183 M CB 2.810 35.409 32.600 -0.002 0.000 1.687 183 M HN 0.626 nan 8.290 nan 0.000 0.455 184 E N 2.393 122.561 120.200 -0.054 0.000 2.642 184 E HA 0.398 4.747 4.350 -0.001 0.000 0.284 184 E C -1.715 174.831 176.600 -0.089 0.000 1.039 184 E CA -0.461 55.903 56.400 -0.060 0.000 0.777 184 E CB 0.921 30.592 29.700 -0.048 0.000 1.473 184 E HN 0.772 nan 8.360 nan 0.000 0.388 185 c N 1.352 119.883 118.600 -0.114 0.000 2.325 185 c HA 0.758 5.328 4.570 -0.001 0.000 0.370 185 c C 0.220 174.214 174.090 -0.159 0.000 1.217 185 c CA -0.688 55.545 56.329 -0.160 0.000 2.254 185 c CB 1.418 43.789 42.510 -0.232 0.000 2.282 185 c HN 0.650 nan 8.230 nan 0.000 0.564 186 S N 1.080 116.672 115.700 -0.180 0.000 2.707 186 S HA 0.477 4.946 4.470 -0.001 0.000 0.303 186 S C -2.943 171.543 174.600 -0.190 0.000 1.132 186 S CA -0.711 57.397 58.200 -0.153 0.000 1.046 186 S CB 0.910 64.043 63.200 -0.112 0.000 1.004 186 S HN 0.510 nan 8.310 nan 0.000 0.483 187 P HA 0.329 nan 4.420 nan 0.000 0.270 187 P C -0.381 176.902 177.300 -0.027 0.000 1.242 187 P CA -0.191 62.822 63.100 -0.144 0.000 0.768 187 P CB 0.521 32.211 31.700 -0.018 0.000 0.820 188 R N 2.242 122.752 120.500 0.016 0.000 2.843 188 R HA 0.898 5.238 4.340 -0.001 0.000 0.232 188 R C -0.335 176.071 176.300 0.177 0.000 1.305 188 R CA -0.476 55.619 56.100 -0.009 0.000 1.096 188 R CB 0.801 30.937 30.300 -0.273 0.000 1.455 188 R HN 0.408 nan 8.270 nan 0.000 0.520 189 T N -1.986 112.636 114.554 0.115 0.000 3.153 189 T HA 0.280 4.629 4.350 -0.001 0.000 0.375 189 T C -0.175 174.624 174.700 0.164 0.000 1.752 189 T CA -0.032 62.210 62.100 0.236 0.000 1.021 189 T CB -0.641 68.386 68.868 0.266 0.000 1.843 189 T HN 0.656 nan 8.240 nan 0.000 0.508 190 G N 1.709 110.615 108.800 0.178 0.000 2.873 190 G HA2 0.584 4.543 3.960 -0.001 0.000 0.170 190 G HA3 0.584 4.543 3.960 -0.001 0.000 0.170 190 G C 0.414 175.398 174.900 0.139 0.000 1.608 190 G CA 0.055 45.229 45.100 0.124 0.000 1.084 190 G HN 1.801 nan 8.290 nan 0.000 0.563 191 L N -0.062 121.212 121.223 0.086 0.000 3.290 191 L HA -0.183 4.157 4.340 -0.001 0.000 0.575 191 L C 0.015 176.933 176.870 0.080 0.000 1.005 191 L CA 0.459 55.320 54.840 0.035 0.000 1.235 191 L CB -1.360 40.684 42.059 -0.026 0.000 1.196 191 L HN 0.774 nan 8.230 nan 0.000 0.640 192 D N 3.305 123.741 120.400 0.059 0.000 2.450 192 D HA 0.061 4.700 4.640 -0.001 0.000 0.247 192 D C 0.949 177.284 176.300 0.059 0.000 1.162 192 D CA 0.152 54.212 54.000 0.100 0.000 0.879 192 D CB 0.367 41.211 40.800 0.073 0.000 1.163 192 D HN 0.383 nan 8.370 nan 0.000 0.472 193 F N 2.596 122.544 119.950 -0.003 0.000 2.416 193 F HA 0.085 4.611 4.527 -0.001 0.000 0.296 193 F C 1.938 177.733 175.800 -0.007 0.000 1.099 193 F CA 0.423 58.412 58.000 -0.019 0.000 1.427 193 F CB -0.186 38.802 39.000 -0.021 0.000 1.079 193 F HN 0.437 nan 8.300 nan 0.000 0.536 194 N N -0.087 118.706 118.700 0.155 0.000 2.434 194 N HA -0.030 4.710 4.740 -0.001 0.000 0.196 194 N C 0.813 176.356 175.510 0.055 0.000 1.183 194 N CA 0.424 53.532 53.050 0.096 0.000 0.849 194 N CB -0.055 38.485 38.487 0.087 0.000 0.992 194 N HN 0.226 nan 8.380 nan 0.000 0.460 195 E N -0.964 119.256 120.200 0.032 0.000 2.676 195 E HA 0.133 4.482 4.350 -0.001 0.000 0.222 195 E C -0.412 176.197 176.600 0.016 0.000 0.968 195 E CA 0.037 56.464 56.400 0.046 0.000 1.090 195 E CB 0.566 30.309 29.700 0.072 0.000 1.066 195 E HN 0.233 nan 8.360 nan 0.000 0.496 196 M N 0.700 120.242 119.600 -0.098 0.000 2.777 196 M HA 0.504 4.984 4.480 -0.001 0.000 0.307 196 M C -0.282 175.899 176.300 -0.198 0.000 1.228 196 M CA -0.994 54.167 55.300 -0.231 0.000 0.871 196 M CB 1.986 34.289 32.600 -0.495 0.000 1.721 196 M HN -0.324 nan 8.290 nan 0.000 0.487 197 V N 1.676 121.452 119.914 -0.231 0.000 2.888 197 V HA 0.407 4.527 4.120 -0.001 0.000 0.309 197 V C -1.146 174.827 176.094 -0.203 0.000 1.114 197 V CA -0.938 61.219 62.300 -0.239 0.000 0.940 197 V CB 2.574 34.153 31.823 -0.407 0.000 1.021 197 V HN 0.715 nan 8.190 nan 0.000 0.426 198 L N 4.918 126.054 121.223 -0.145 0.000 2.283 198 L HA 0.554 4.894 4.340 -0.001 0.000 0.287 198 L C -0.608 176.245 176.870 -0.028 0.000 1.073 198 L CA 0.017 54.824 54.840 -0.057 0.000 0.822 198 L CB 0.825 42.877 42.059 -0.013 0.000 1.186 198 L HN 0.650 nan 8.230 nan 0.000 0.436 199 L N 5.502 126.783 121.223 0.097 0.000 2.265 199 L HA 0.467 4.807 4.340 -0.001 0.000 0.289 199 L C -0.569 176.508 176.870 0.345 0.000 1.033 199 L CA 0.154 55.136 54.840 0.236 0.000 0.814 199 L CB 1.104 43.383 42.059 0.366 0.000 1.203 199 L HN 0.677 nan 8.230 nan 0.000 0.423 200 Q N 6.183 126.149 119.800 0.278 0.000 2.307 200 Q HA 0.535 4.875 4.340 -0.001 0.000 0.262 200 Q C -0.946 175.234 176.000 0.300 0.000 0.961 200 Q CA -0.253 55.697 55.803 0.245 0.000 0.882 200 Q CB 2.234 31.059 28.738 0.146 0.000 1.264 200 Q HN 0.670 nan 8.270 nan 0.000 0.446 201 M N 3.552 123.349 119.600 0.327 0.000 2.066 201 M HA 0.226 4.705 4.480 -0.001 0.000 0.264 201 M C -0.652 175.785 176.300 0.228 0.000 0.886 201 M CA -0.295 55.202 55.300 0.329 0.000 0.810 201 M CB 0.669 33.574 32.600 0.508 0.000 1.451 201 M HN 0.599 nan 8.290 nan 0.000 0.373 202 K N 0.144 120.639 120.400 0.158 0.000 5.020 202 K HA -0.188 4.131 4.320 -0.001 0.000 0.184 202 K C 0.269 176.907 176.600 0.063 0.000 1.374 202 K CA 1.698 58.049 56.287 0.107 0.000 0.615 202 K CB -0.939 31.630 32.500 0.114 0.000 0.650 202 K HN 0.579 nan 8.250 nan 0.000 0.619 203 D N 1.916 122.338 120.400 0.036 0.000 2.277 203 D HA 0.004 4.644 4.640 -0.001 0.000 0.208 203 D C 0.402 176.652 176.300 -0.084 0.000 0.962 203 D CA 0.938 54.929 54.000 -0.015 0.000 0.865 203 D CB 0.199 40.988 40.800 -0.018 0.000 0.939 203 D HN 0.208 nan 8.370 nan 0.000 0.510 204 K N 0.178 120.513 120.400 -0.109 0.000 2.109 204 K HA 0.625 4.944 4.320 -0.001 0.000 0.243 204 K C -0.461 175.905 176.600 -0.390 0.000 1.006 204 K CA -0.478 55.596 56.287 -0.355 0.000 0.917 204 K CB 1.789 34.041 32.500 -0.413 0.000 1.081 204 K HN -0.097 nan 8.250 nan 0.000 0.468 205 A N 1.148 123.485 122.820 -0.805 0.000 2.590 205 A HA 0.326 4.646 4.320 -0.001 0.000 0.309 205 A C -1.862 175.437 177.584 -0.475 0.000 1.039 205 A CA -0.935 50.873 52.037 -0.382 0.000 0.824 205 A CB 0.390 19.316 19.000 -0.124 0.000 1.247 205 A HN 0.626 nan 8.150 nan 0.000 0.394 206 W N 0.850 122.139 121.300 -0.019 0.000 3.075 206 W HA 0.713 5.371 4.660 -0.003 0.000 0.334 206 W C -0.880 175.573 176.519 -0.110 0.000 1.288 206 W CA -0.904 56.400 57.345 -0.068 0.000 1.095 206 W CB 1.512 30.933 29.460 -0.065 0.000 1.564 206 W HN 0.574 nan 8.180 nan 0.000 0.629 207 L N 2.172 123.444 121.223 0.081 0.000 2.353 207 L HA 0.318 4.657 4.340 -0.001 0.000 0.270 207 L C -0.043 176.691 176.870 -0.227 0.000 1.003 207 L CA -0.555 54.207 54.840 -0.129 0.000 0.862 207 L CB 0.464 42.370 42.059 -0.255 0.000 1.221 207 L HN 0.225 nan 8.230 nan 0.000 0.430 208 V N 0.340 120.135 119.914 -0.197 0.000 3.211 208 V HA 0.631 4.750 4.120 -0.001 0.000 0.319 208 V C 0.152 176.073 176.094 -0.288 0.000 1.096 208 V CA -0.803 61.325 62.300 -0.288 0.000 1.029 208 V CB 1.209 33.016 31.823 -0.026 0.000 1.137 208 V HN 0.680 nan 8.190 nan 0.000 0.453 209 H N -0.366 118.691 119.070 -0.020 0.000 2.546 209 H HA 0.484 5.040 4.556 -0.000 0.000 0.365 209 H C 1.128 176.564 175.328 0.180 0.000 1.220 209 H CA 0.148 56.223 56.048 0.044 0.000 1.386 209 H CB 0.726 30.516 29.762 0.048 0.000 1.510 209 H HN 0.643 nan 8.280 nan 0.000 0.591 210 R N 0.228 120.890 120.500 0.268 0.000 2.062 210 R HA -0.144 4.196 4.340 -0.001 0.000 0.231 210 R C 1.757 178.226 176.300 0.282 0.000 1.136 210 R CA 1.194 57.437 56.100 0.238 0.000 0.948 210 R CB 0.106 30.490 30.300 0.140 0.000 0.845 210 R HN 0.613 nan 8.270 nan 0.000 0.430 211 Q N -0.713 119.223 119.800 0.225 0.000 2.119 211 Q HA -0.194 4.146 4.340 -0.001 0.000 0.201 211 Q C 1.600 177.710 176.000 0.183 0.000 0.972 211 Q CA 1.279 57.175 55.803 0.155 0.000 0.847 211 Q CB -0.320 28.478 28.738 0.100 0.000 0.903 211 Q HN 0.447 nan 8.270 nan 0.000 0.433 212 W N 0.392 121.748 121.300 0.093 0.000 2.358 212 W HA -0.242 4.417 4.660 -0.001 0.000 0.303 212 W C 1.946 178.507 176.519 0.069 0.000 1.208 212 W CA 1.519 58.906 57.345 0.070 0.000 1.274 212 W CB -0.517 29.017 29.460 0.122 0.000 1.138 212 W HN 0.148 nan 8.180 nan 0.000 0.515 213 F N 0.409 120.491 119.950 0.220 0.000 2.186 213 F HA -0.098 4.428 4.527 -0.002 0.000 0.299 213 F C 1.861 177.661 175.800 -0.000 0.000 1.090 213 F CA 1.863 59.912 58.000 0.082 0.000 1.307 213 F CB -0.545 38.593 39.000 0.229 0.000 1.019 213 F HN -0.193 nan 8.300 nan 0.000 0.489 214 L N -0.334 120.870 121.223 -0.031 0.000 2.341 214 L HA -0.070 4.270 4.340 -0.001 0.000 0.214 214 L C 1.368 178.101 176.870 -0.229 0.000 1.115 214 L CA 0.588 55.320 54.840 -0.180 0.000 0.820 214 L CB -0.520 41.498 42.059 -0.067 0.000 0.944 214 L HN -0.002 nan 8.230 nan 0.000 0.452 215 D N 0.250 120.512 120.400 -0.231 0.000 2.349 215 D HA 0.080 4.720 4.640 -0.001 0.000 0.224 215 D C 0.866 176.951 176.300 -0.357 0.000 1.029 215 D CA 0.234 54.088 54.000 -0.242 0.000 0.879 215 D CB 0.177 40.857 40.800 -0.200 0.000 0.906 215 D HN 0.221 nan 8.370 nan 0.000 0.528 216 L N 3.186 124.084 121.223 -0.540 0.000 2.628 216 L HA -0.008 4.331 4.340 -0.001 0.000 0.274 216 L C -1.565 175.048 176.870 -0.428 0.000 1.209 216 L CA -0.647 53.756 54.840 -0.729 0.000 0.930 216 L CB 0.054 41.282 42.059 -1.385 0.000 1.183 216 L HN -0.181 nan 8.230 nan 0.000 0.492 217 P HA 0.229 nan 4.420 nan 0.000 0.226 217 P C -0.785 176.467 177.300 -0.080 0.000 1.783 217 P CA 0.215 63.231 63.100 -0.139 0.000 0.980 217 P CB 0.083 31.701 31.700 -0.137 0.000 1.967 218 L N 0.941 122.176 121.223 0.019 0.000 2.409 218 L HA 0.579 4.918 4.340 -0.001 0.000 0.255 218 L C -2.679 174.447 176.870 0.427 0.000 1.027 218 L CA -3.065 51.864 54.840 0.148 0.000 0.834 218 L CB 2.479 44.557 42.059 0.032 0.000 1.426 218 L HN -0.198 nan 8.230 nan 0.000 0.411 219 P HA 0.100 nan 4.420 nan 0.000 0.271 219 P C -1.550 176.147 177.300 0.661 0.000 1.218 219 P CA -0.045 63.267 63.100 0.354 0.000 0.780 219 P CB 0.416 32.201 31.700 0.142 0.000 0.901 220 W N 2.312 123.837 121.300 0.374 0.000 3.137 220 W HA 0.563 5.222 4.660 -0.002 0.000 0.324 220 W C -2.702 173.773 176.519 -0.073 0.000 1.253 220 W CA -0.901 56.552 57.345 0.181 0.000 1.183 220 W CB 0.434 29.672 29.460 -0.369 0.000 1.424 220 W HN 0.093 nan 8.180 nan 0.000 0.566 221 L N 2.315 123.446 121.223 -0.153 0.000 2.346 221 L HA 0.445 4.784 4.340 -0.001 0.000 0.274 221 L C -2.016 174.859 176.870 0.009 0.000 1.007 221 L CA -2.105 52.474 54.840 -0.435 0.000 0.818 221 L CB 2.078 43.690 42.059 -0.745 0.000 1.284 221 L HN -0.062 nan 8.230 nan 0.000 0.424 222 P HA -0.057 nan 4.420 nan 0.000 0.267 222 P C 0.621 177.973 177.300 0.087 0.000 1.201 222 P CA 0.449 63.654 63.100 0.174 0.000 0.775 222 P CB 0.779 32.513 31.700 0.057 0.000 0.854 223 G N 1.286 110.149 108.800 0.105 0.000 2.432 223 G HA2 0.006 3.966 3.960 -0.001 0.000 0.219 223 G HA3 0.006 3.966 3.960 -0.001 0.000 0.219 223 G C 0.548 175.469 174.900 0.034 0.000 1.135 223 G CA 1.037 46.179 45.100 0.069 0.000 0.767 223 G HN 0.713 nan 8.290 nan 0.000 0.550 229 S N 1.311 116.850 115.700 -0.268 0.000 4.085 229 S HA 0.268 4.738 4.470 -0.001 0.000 0.189 229 S C 0.377 174.819 174.600 -0.263 0.000 1.392 229 S CA 0.112 58.187 58.200 -0.209 0.000 0.972 229 S CB -1.697 61.397 63.200 -0.177 0.000 1.482 229 S HN 0.831 nan 8.310 nan 0.000 0.446 230 N N 1.728 120.292 118.700 -0.226 0.000 2.407 230 N HA -0.153 4.587 4.740 -0.001 0.000 0.284 230 N C -0.984 174.334 175.510 -0.320 0.000 1.508 230 N CA 0.670 53.614 53.050 -0.177 0.000 0.779 230 N CB -1.270 37.141 38.487 -0.127 0.000 0.916 230 N HN 0.581 nan 8.380 nan 0.000 0.474 231 W N 2.579 123.714 121.300 -0.274 0.000 2.148 231 W HA 0.370 5.030 4.660 -0.000 0.000 0.347 231 W C 1.507 177.733 176.519 -0.489 0.000 1.288 231 W CA -0.098 57.018 57.345 -0.382 0.000 1.252 231 W CB 0.386 29.592 29.460 -0.422 0.000 1.156 231 W HN 0.349 nan 8.180 nan 0.000 0.580 232 I N 1.982 122.295 120.570 -0.428 0.000 2.460 232 I HA 0.101 4.271 4.170 -0.001 0.000 0.298 232 I C 0.143 176.082 176.117 -0.297 0.000 0.989 232 I CA -0.904 60.067 61.300 -0.548 0.000 1.173 232 I CB 1.409 38.707 38.000 -1.170 0.000 1.338 232 I HN 0.527 nan 8.210 nan 0.000 0.456 233 Q N 3.448 123.164 119.800 -0.140 0.000 2.463 233 Q HA -0.200 4.140 4.340 -0.001 0.000 0.299 233 Q C 0.678 176.664 176.000 -0.023 0.000 1.353 233 Q CA 0.363 56.165 55.803 -0.002 0.000 0.828 233 Q CB -1.089 27.744 28.738 0.158 0.000 1.157 233 Q HN 0.656 nan 8.270 nan 0.000 0.436 234 K N 0.789 121.092 120.400 -0.161 0.000 2.147 234 K HA -0.177 4.143 4.320 -0.001 0.000 0.205 234 K C 1.684 178.302 176.600 0.029 0.000 1.049 234 K CA 1.455 57.578 56.287 -0.273 0.000 0.936 234 K CB 0.019 32.132 32.500 -0.646 0.000 0.722 234 K HN 0.444 nan 8.250 nan 0.000 0.446 235 E N 0.863 121.095 120.200 0.054 0.000 2.273 235 E HA -0.197 4.152 4.350 -0.001 0.000 0.198 235 E C 1.731 178.394 176.600 0.105 0.000 1.002 235 E CA 1.761 58.232 56.400 0.118 0.000 0.828 235 E CB -1.079 28.685 29.700 0.106 0.000 0.747 235 E HN 0.427 nan 8.360 nan 0.000 0.491 236 T N -0.172 114.434 114.554 0.087 0.000 2.849 236 T HA -0.110 4.239 4.350 -0.001 0.000 0.270 236 T C 1.887 176.627 174.700 0.068 0.000 1.066 236 T CA 1.109 63.252 62.100 0.071 0.000 1.130 236 T CB -0.276 68.636 68.868 0.073 0.000 0.864 236 T HN 0.211 nan 8.240 nan 0.000 0.481 237 L N 0.664 121.953 121.223 0.110 0.000 2.857 237 L HA 0.435 4.775 4.340 -0.001 0.000 0.249 237 L C -0.411 176.496 176.870 0.061 0.000 1.172 237 L CA -0.350 54.539 54.840 0.082 0.000 0.980 237 L CB 0.823 42.949 42.059 0.111 0.000 1.299 237 L HN 0.120 nan 8.230 nan 0.000 0.535 238 V N -0.857 119.108 119.914 0.086 0.000 2.680 238 V HA 0.532 4.651 4.120 -0.001 0.000 0.309 238 V C -0.197 175.912 176.094 0.025 0.000 1.052 238 V CA -0.313 62.006 62.300 0.032 0.000 0.908 238 V CB 2.292 34.180 31.823 0.108 0.000 1.001 238 V HN 0.011 nan 8.190 nan 0.000 0.431 239 T N 3.904 118.396 114.554 -0.105 0.000 2.916 239 T HA 0.685 5.034 4.350 -0.001 0.000 0.298 239 T C -1.157 173.420 174.700 -0.205 0.000 1.031 239 T CA -0.207 61.871 62.100 -0.036 0.000 0.993 239 T CB 1.112 69.966 68.868 -0.025 0.000 1.045 239 T HN 0.306 nan 8.240 nan 0.000 0.454 240 F N 2.061 122.017 119.950 0.009 0.000 2.480 240 F HA 0.656 5.184 4.527 0.001 0.000 0.329 240 F C 0.582 176.379 175.800 -0.005 0.000 1.091 240 F CA -0.905 57.099 58.000 0.006 0.000 0.972 240 F CB 1.761 40.770 39.000 0.016 0.000 1.150 240 F HN 0.130 nan 8.300 nan 0.000 0.467 241 K N 1.723 122.208 120.400 0.142 0.000 2.501 241 K HA 0.338 4.658 4.320 -0.001 0.000 0.252 241 K C -1.330 175.296 176.600 0.043 0.000 0.934 241 K CA -1.037 55.287 56.287 0.061 0.000 0.797 241 K CB 2.193 34.694 32.500 0.001 0.000 1.270 241 K HN 0.399 nan 8.250 nan 0.000 0.431 242 N N 3.276 121.981 118.700 0.009 0.000 2.697 242 N HA 0.128 4.867 4.740 -0.001 0.000 0.253 242 N C -1.819 173.647 175.510 -0.073 0.000 1.604 242 N CA -1.338 51.706 53.050 -0.011 0.000 0.772 242 N CB 0.846 39.348 38.487 0.026 0.000 1.267 242 N HN 0.405 nan 8.380 nan 0.000 0.510 243 P HA -0.092 nan 4.420 nan 0.000 0.215 243 P C -0.007 177.092 177.300 -0.336 0.000 1.157 243 P CA 1.456 64.343 63.100 -0.355 0.000 0.868 243 P CB 0.220 31.538 31.700 -0.636 0.000 0.788 244 H N -1.259 117.824 119.070 0.023 0.000 2.486 244 H HA 0.613 5.169 4.556 -0.001 0.000 0.284 244 H C 0.657 175.998 175.328 0.023 0.000 1.103 244 H CA 0.062 56.122 56.048 0.020 0.000 1.089 244 H CB 0.055 29.828 29.762 0.017 0.000 1.603 244 H HN 0.131 nan 8.280 nan 0.000 0.557 245 A N 1.101 123.972 122.820 0.085 0.000 2.822 245 A HA -0.313 4.007 4.320 -0.001 0.000 0.287 245 A C 1.318 178.949 177.584 0.079 0.000 1.479 245 A CA 1.380 53.459 52.037 0.070 0.000 0.779 245 A CB -1.776 17.264 19.000 0.067 0.000 1.022 245 A HN 0.611 nan 8.150 nan 0.000 0.532 246 K N -0.837 119.614 120.400 0.085 0.000 2.367 246 K HA 0.148 4.468 4.320 -0.001 0.000 0.198 246 K C 0.577 177.213 176.600 0.061 0.000 1.132 246 K CA 1.252 57.587 56.287 0.081 0.000 0.941 246 K CB 0.465 33.029 32.500 0.106 0.000 1.052 246 K HN 0.934 nan 8.250 nan 0.000 0.507 247 K N 0.290 120.723 120.400 0.054 0.000 2.660 247 K HA 0.184 4.504 4.320 -0.001 0.000 0.285 247 K C -1.800 174.826 176.600 0.045 0.000 0.997 247 K CA -0.914 55.400 56.287 0.046 0.000 0.861 247 K CB 1.415 33.942 32.500 0.044 0.000 1.469 247 K HN -0.145 nan 8.250 nan 0.000 0.395 248 Q N 1.643 121.476 119.800 0.056 0.000 2.331 248 Q HA 0.270 4.610 4.340 -0.001 0.000 0.267 248 Q C -1.308 174.741 176.000 0.081 0.000 1.006 248 Q CA -0.626 55.226 55.803 0.081 0.000 0.818 248 Q CB 1.706 30.516 28.738 0.119 0.000 1.276 248 Q HN 0.606 nan 8.270 nan 0.000 0.450 249 D N 2.088 122.518 120.400 0.051 0.000 2.272 249 D HA 0.510 5.150 4.640 -0.001 0.000 0.247 249 D C -0.904 175.340 176.300 -0.092 0.000 0.990 249 D CA -0.359 53.636 54.000 -0.008 0.000 0.931 249 D CB 2.173 42.956 40.800 -0.028 0.000 1.195 249 D HN 0.340 nan 8.370 nan 0.000 0.477 250 V N 0.882 120.667 119.914 -0.216 0.000 2.914 250 V HA 0.640 4.760 4.120 -0.001 0.000 0.314 250 V C -0.148 175.756 176.094 -0.315 0.000 1.084 250 V CA -0.825 61.172 62.300 -0.504 0.000 0.963 250 V CB 2.071 33.459 31.823 -0.725 0.000 1.025 250 V HN 0.436 nan 8.190 nan 0.000 0.432 251 V N 2.775 122.497 119.914 -0.319 0.000 3.147 251 V HA 0.772 4.891 4.120 -0.001 0.000 0.299 251 V C -0.665 175.320 176.094 -0.180 0.000 1.302 251 V CA -0.461 61.719 62.300 -0.201 0.000 1.015 251 V CB 2.040 33.781 31.823 -0.137 0.000 1.086 251 V HN 0.749 nan 8.190 nan 0.000 0.437 252 V N 3.887 123.707 119.914 -0.157 0.000 3.596 252 V HA 0.464 4.584 4.120 -0.001 0.000 0.288 252 V C 0.899 176.928 176.094 -0.109 0.000 1.021 252 V CA -0.320 61.894 62.300 -0.144 0.000 1.020 252 V CB 0.939 32.646 31.823 -0.194 0.000 1.243 252 V HN 0.868 nan 8.190 nan 0.000 0.433 253 L N 0.767 121.932 121.223 -0.097 0.000 2.701 253 L HA 0.584 4.924 4.340 -0.001 0.000 0.238 253 L C 0.887 177.708 176.870 -0.081 0.000 1.106 253 L CA 1.420 56.215 54.840 -0.075 0.000 0.898 253 L CB -0.209 41.819 42.059 -0.053 0.000 1.188 253 L HN 1.219 nan 8.230 nan 0.000 0.508 254 G N -0.380 108.358 108.800 -0.102 0.000 2.721 254 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.686 254 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.686 254 G C -0.078 174.768 174.900 -0.091 0.000 1.236 254 G CA -0.229 44.814 45.100 -0.095 0.000 0.786 254 G HN 0.170 nan 8.290 nan 0.000 0.616 255 S N 0.554 116.200 115.700 -0.091 0.000 2.953 255 S HA 0.031 4.501 4.470 -0.001 0.000 0.348 255 S C 1.281 175.829 174.600 -0.087 0.000 1.215 255 S CA 1.116 59.264 58.200 -0.088 0.000 1.019 255 S CB 0.334 63.489 63.200 -0.075 0.000 0.726 255 S HN 0.610 nan 8.310 nan 0.000 0.503 256 Q N 3.205 122.947 119.800 -0.096 0.000 2.204 256 Q HA 0.133 4.472 4.340 -0.001 0.000 0.209 256 Q C 1.478 177.394 176.000 -0.141 0.000 0.861 256 Q CA -0.014 55.725 55.803 -0.106 0.000 0.971 256 Q CB 0.242 28.917 28.738 -0.105 0.000 1.095 256 Q HN 0.920 nan 8.270 nan 0.000 0.486 257 E N 0.628 120.738 120.200 -0.151 0.000 2.017 257 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 257 E C 1.750 178.113 176.600 -0.394 0.000 0.997 257 E CA 1.367 57.615 56.400 -0.253 0.000 0.804 257 E CB -0.043 29.549 29.700 -0.180 0.000 0.757 257 E HN 0.418 nan 8.360 nan 0.000 0.448 258 G N 0.534 109.204 108.800 -0.216 0.000 2.442 258 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.219 258 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.219 258 G C 1.624 176.469 174.900 -0.093 0.000 1.141 258 G CA 1.032 46.060 45.100 -0.120 0.000 0.763 258 G HN 0.432 nan 8.290 nan 0.000 0.554 259 A N 0.636 123.394 122.820 -0.103 0.000 1.865 259 A HA -0.025 4.294 4.320 -0.001 0.000 0.217 259 A C 2.447 179.979 177.584 -0.086 0.000 1.191 259 A CA 2.076 54.066 52.037 -0.078 0.000 0.623 259 A CB -0.396 18.552 19.000 -0.086 0.000 0.826 259 A HN 0.277 nan 8.150 nan 0.000 0.444 260 M N -0.497 119.016 119.600 -0.146 0.000 2.073 260 M HA -0.194 4.286 4.480 -0.001 0.000 0.258 260 M C 1.967 178.224 176.300 -0.073 0.000 1.070 260 M CA 1.949 57.167 55.300 -0.136 0.000 1.103 260 M CB -1.888 30.607 32.600 -0.176 0.000 1.321 260 M HN 0.654 nan 8.290 nan 0.000 0.405 261 H N -1.096 117.923 119.070 -0.085 0.000 2.353 261 H HA -0.147 4.408 4.556 -0.001 0.000 0.298 261 H C 1.988 177.280 175.328 -0.060 0.000 1.103 261 H CA 1.631 57.637 56.048 -0.071 0.000 1.293 261 H CB -0.190 29.611 29.762 0.064 0.000 1.372 261 H HN 0.405 nan 8.280 nan 0.000 0.501 262 T N 0.377 114.987 114.554 0.094 0.000 2.720 262 T HA -0.178 4.172 4.350 -0.001 0.000 0.268 262 T C 2.298 177.015 174.700 0.028 0.000 1.037 262 T CA 1.111 63.243 62.100 0.053 0.000 1.144 262 T CB -0.366 68.521 68.868 0.033 0.000 0.864 262 T HN 0.493 nan 8.240 nan 0.000 0.444 263 A N 1.037 123.877 122.820 0.033 0.000 2.067 263 A HA 0.096 4.416 4.320 -0.001 0.000 0.219 263 A C 1.687 179.288 177.584 0.029 0.000 1.158 263 A CA 0.830 52.929 52.037 0.103 0.000 0.661 263 A CB -0.339 18.781 19.000 0.200 0.000 0.801 263 A HN 0.360 nan 8.150 nan 0.000 0.452 264 L N 1.106 122.248 121.223 -0.134 0.000 2.653 264 L HA 0.080 4.419 4.340 -0.001 0.000 0.232 264 L C 0.336 177.071 176.870 -0.225 0.000 1.169 264 L CA 0.532 55.127 54.840 -0.408 0.000 0.951 264 L CB -1.759 39.651 42.059 -1.081 0.000 1.181 264 L HN 0.150 nan 8.230 nan 0.000 0.460 265 T N 1.576 116.081 114.554 -0.081 0.000 2.542 265 T HA 0.043 4.393 4.350 -0.001 0.000 0.246 265 T C 1.505 176.209 174.700 0.007 0.000 1.052 265 T CA 0.915 63.010 62.100 -0.008 0.000 1.251 265 T CB -0.232 68.636 68.868 0.000 0.000 1.031 265 T HN 0.684 nan 8.240 nan 0.000 0.498 266 G N 2.827 111.676 108.800 0.082 0.000 2.320 266 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.291 266 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.291 266 G C 0.635 175.592 174.900 0.095 0.000 0.994 266 G CA 0.514 45.676 45.100 0.105 0.000 0.760 266 G HN 1.257 nan 8.290 nan 0.000 0.514 267 A N -0.598 122.262 122.820 0.067 0.000 2.264 267 A HA 0.448 4.768 4.320 -0.001 0.000 0.291 267 A C 1.312 178.955 177.584 0.098 0.000 1.253 267 A CA 1.196 53.236 52.037 0.005 0.000 0.865 267 A CB -0.275 18.637 19.000 -0.147 0.000 1.129 267 A HN 0.937 nan 8.150 nan 0.000 0.513 268 T N 2.102 116.666 114.554 0.017 0.000 3.121 268 T HA 0.229 4.579 4.350 -0.001 0.000 0.256 268 T C 0.028 174.768 174.700 0.067 0.000 0.942 268 T CA 0.475 62.578 62.100 0.006 0.000 1.158 268 T CB -1.108 67.709 68.868 -0.086 0.000 0.963 268 T HN 0.549 nan 8.240 nan 0.000 0.660 269 E N 1.976 122.202 120.200 0.044 0.000 2.390 269 E HA 0.315 4.665 4.350 -0.001 0.000 0.261 269 E C 0.736 177.198 176.600 -0.230 0.000 1.076 269 E CA -0.387 55.881 56.400 -0.220 0.000 0.905 269 E CB 0.970 30.503 29.700 -0.278 0.000 0.984 269 E HN 0.536 nan 8.360 nan 0.000 0.427 270 I N 0.221 120.592 120.570 -0.332 0.000 4.983 270 I HA -0.113 4.056 4.170 -0.001 0.000 0.346 270 I C 1.353 177.317 176.117 -0.255 0.000 1.261 270 I CA -0.068 61.092 61.300 -0.235 0.000 1.406 270 I CB 0.016 37.914 38.000 -0.170 0.000 1.529 270 I HN 0.435 nan 8.210 nan 0.000 0.524 271 Q N 1.630 121.209 119.800 -0.368 0.000 2.282 271 Q HA -0.269 4.071 4.340 -0.001 0.000 0.220 271 Q C 0.793 176.667 176.000 -0.210 0.000 1.057 271 Q CA 1.885 57.476 55.803 -0.352 0.000 0.978 271 Q CB -0.200 28.286 28.738 -0.419 0.000 1.075 271 Q HN 0.454 nan 8.270 nan 0.000 0.436 272 M N -0.870 118.632 119.600 -0.164 0.000 2.732 272 M HA 0.060 4.539 4.480 -0.001 0.000 0.120 272 M C -1.679 174.576 176.300 -0.075 0.000 0.904 272 M CA 0.141 55.376 55.300 -0.109 0.000 0.672 272 M CB 1.488 34.023 32.600 -0.108 0.000 3.104 272 M HN -0.124 nan 8.290 nan 0.000 0.307 273 S N 1.721 117.388 115.700 -0.055 0.000 2.567 273 S HA 0.387 4.857 4.470 -0.001 0.000 0.262 273 S C 0.551 175.148 174.600 -0.004 0.000 1.237 273 S CA 0.373 58.559 58.200 -0.023 0.000 1.093 273 S CB 0.368 63.565 63.200 -0.005 0.000 1.095 273 S HN 0.913 nan 8.310 nan 0.000 0.489 274 S N 1.239 116.932 115.700 -0.011 0.000 3.929 274 S HA -0.121 4.348 4.470 -0.001 0.000 0.351 274 S C 0.895 175.492 174.600 -0.005 0.000 1.021 274 S CA 0.646 58.844 58.200 -0.004 0.000 1.049 274 S CB -2.231 60.973 63.200 0.007 0.000 0.872 274 S HN 2.132 nan 8.310 nan 0.000 0.479 275 G N -0.239 108.552 108.800 -0.015 0.000 2.176 275 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.252 275 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.252 275 G C -0.142 174.752 174.900 -0.011 0.000 1.024 275 G CA 0.318 45.411 45.100 -0.013 0.000 0.755 275 G HN 1.005 nan 8.290 nan 0.000 0.507 276 N N -0.999 117.692 118.700 -0.015 0.000 2.405 276 N HA 0.579 5.318 4.740 -0.001 0.000 0.285 276 N C 0.146 175.640 175.510 -0.026 0.000 1.262 276 N CA -0.720 52.326 53.050 -0.007 0.000 0.773 276 N CB 1.514 40.011 38.487 0.017 0.000 1.490 276 N HN 0.076 nan 8.380 nan 0.000 0.486 277 L N 1.159 122.373 121.223 -0.014 0.000 2.436 277 L HA 0.303 4.642 4.340 -0.001 0.000 0.265 277 L C 0.276 177.071 176.870 -0.124 0.000 1.168 277 L CA -0.238 54.575 54.840 -0.046 0.000 0.815 277 L CB 0.687 42.743 42.059 -0.005 0.000 1.109 277 L HN 0.334 nan 8.230 nan 0.000 0.462 278 L N 3.953 125.030 121.223 -0.242 0.000 2.387 278 L HA 0.303 4.643 4.340 -0.001 0.000 0.259 278 L C -0.365 176.277 176.870 -0.380 0.000 1.050 278 L CA -0.644 53.873 54.840 -0.540 0.000 0.922 278 L CB 0.503 42.376 42.059 -0.310 0.000 1.280 278 L HN 0.399 nan 8.230 nan 0.000 0.449 279 F N 2.890 122.559 119.950 -0.468 0.000 2.604 279 F HA -0.130 4.396 4.527 -0.001 0.000 0.393 279 F C 1.493 177.341 175.800 0.080 0.000 1.043 279 F CA 0.934 58.962 58.000 0.046 0.000 1.227 279 F CB 0.993 40.233 39.000 0.400 0.000 1.016 279 F HN 0.505 nan 8.300 nan 0.000 0.556 280 T N 4.154 118.562 114.554 -0.242 0.000 2.684 280 T HA 0.039 4.389 4.350 -0.001 0.000 0.267 280 T C 0.631 175.448 174.700 0.196 0.000 1.036 280 T CA 1.555 63.629 62.100 -0.043 0.000 1.148 280 T CB -0.434 68.392 68.868 -0.071 0.000 0.863 280 T HN 0.816 nan 8.240 nan 0.000 0.436 281 G N 0.095 109.142 108.800 0.411 0.000 2.552 281 G HA2 0.519 4.478 3.960 -0.001 0.000 0.288 281 G HA3 0.519 4.478 3.960 -0.001 0.000 0.288 281 G C -1.033 174.332 174.900 0.775 0.000 1.358 281 G CA -0.561 44.859 45.100 0.533 0.000 1.305 281 G HN 0.357 nan 8.290 nan 0.000 0.602 282 H N -0.336 118.912 119.070 0.296 0.000 3.278 282 H HA -0.123 4.432 4.556 -0.001 0.000 0.142 282 H C -0.634 174.562 175.328 -0.219 0.000 1.007 282 H CA 0.700 56.784 56.048 0.060 0.000 1.045 282 H CB -0.535 29.275 29.762 0.079 0.000 1.951 282 H HN 1.143 nan 8.280 nan 0.000 0.304 283 L N 1.215 122.434 121.223 -0.007 0.000 5.028 283 L HA -0.000 4.339 4.340 -0.001 0.000 0.238 283 L C -0.608 176.180 176.870 -0.137 0.000 1.136 283 L CA -0.099 54.586 54.840 -0.258 0.000 1.270 283 L CB 0.100 41.881 42.059 -0.464 0.000 1.798 283 L HN 0.609 nan 8.230 nan 0.000 0.615 284 K N 3.458 123.795 120.400 -0.105 0.000 2.258 284 K HA 0.679 4.999 4.320 -0.001 0.000 0.284 284 K C -0.820 175.699 176.600 -0.135 0.000 1.051 284 K CA -0.188 56.048 56.287 -0.086 0.000 0.923 284 K CB 1.109 33.565 32.500 -0.073 0.000 1.046 284 K HN 0.515 nan 8.250 nan 0.000 0.474 285 c N 3.087 121.600 118.600 -0.145 0.000 2.848 285 c HA 0.638 5.207 4.570 -0.001 0.000 0.317 285 c C -1.073 172.934 174.090 -0.138 0.000 1.260 285 c CA -1.067 55.166 56.329 -0.159 0.000 1.656 285 c CB 1.553 43.936 42.510 -0.212 0.000 2.174 285 c HN 0.984 nan 8.230 nan 0.000 0.479 286 R N 1.241 121.672 120.500 -0.114 0.000 2.513 286 R HA 0.809 5.149 4.340 -0.001 0.000 0.301 286 R C -1.911 174.349 176.300 -0.067 0.000 0.968 286 R CA -0.490 55.567 56.100 -0.072 0.000 0.872 286 R CB 0.681 30.959 30.300 -0.036 0.000 1.177 286 R HN 0.608 nan 8.270 nan 0.000 0.444 287 L N 2.805 123.990 121.223 -0.064 0.000 2.334 287 L HA 0.621 4.961 4.340 -0.001 0.000 0.276 287 L C -0.012 176.886 176.870 0.047 0.000 1.014 287 L CA -1.057 53.759 54.840 -0.040 0.000 0.815 287 L CB 1.858 43.849 42.059 -0.113 0.000 1.268 287 L HN 0.497 nan 8.230 nan 0.000 0.428 288 R N 2.714 123.257 120.500 0.070 0.000 2.439 288 R HA 0.478 4.817 4.340 -0.001 0.000 0.310 288 R C 0.034 176.378 176.300 0.075 0.000 0.955 288 R CA -0.322 55.850 56.100 0.119 0.000 0.853 288 R CB 2.080 32.465 30.300 0.142 0.000 1.171 288 R HN 0.692 nan 8.270 nan 0.000 0.449 289 M N 1.541 121.168 119.600 0.045 0.000 2.414 289 M HA -0.037 4.443 4.480 -0.001 0.000 0.251 289 M C 1.068 177.379 176.300 0.018 0.000 1.116 289 M CA 0.208 55.521 55.300 0.021 0.000 1.056 289 M CB 0.364 32.955 32.600 -0.015 0.000 1.388 289 M HN 0.620 nan 8.290 nan 0.000 0.487 290 D N 1.804 122.222 120.400 0.030 0.000 2.263 290 D HA -0.269 4.371 4.640 -0.001 0.000 0.193 290 D C 0.884 177.202 176.300 0.030 0.000 1.013 290 D CA 1.591 55.611 54.000 0.032 0.000 0.892 290 D CB -0.539 40.307 40.800 0.076 0.000 0.909 290 D HN 0.391 nan 8.370 nan 0.000 0.449 291 K N -0.218 120.204 120.400 0.037 0.000 2.476 291 K HA 0.276 4.596 4.320 -0.001 0.000 0.196 291 K C 0.479 177.100 176.600 0.034 0.000 1.025 291 K CA -0.203 56.105 56.287 0.034 0.000 1.138 291 K CB 0.635 33.157 32.500 0.037 0.000 0.860 291 K HN 0.214 nan 8.250 nan 0.000 0.515 292 L N 1.216 122.458 121.223 0.031 0.000 2.334 292 L HA 0.337 4.676 4.340 -0.001 0.000 0.270 292 L C -0.400 176.490 176.870 0.034 0.000 1.018 292 L CA -0.728 54.136 54.840 0.040 0.000 0.811 292 L CB 1.745 43.821 42.059 0.028 0.000 1.271 292 L HN 0.123 nan 8.230 nan 0.000 0.443 293 Q N 2.098 121.935 119.800 0.061 0.000 2.391 293 Q HA 0.418 4.758 4.340 -0.001 0.000 0.279 293 Q C -1.750 174.306 176.000 0.093 0.000 1.028 293 Q CA -0.835 54.995 55.803 0.044 0.000 0.836 293 Q CB 2.024 30.773 28.738 0.018 0.000 1.414 293 Q HN 0.521 nan 8.270 nan 0.000 0.397 294 L N 1.856 123.107 121.223 0.046 0.000 2.492 294 L HA 0.176 4.515 4.340 -0.001 0.000 0.280 294 L C 0.223 177.105 176.870 0.020 0.000 1.240 294 L CA 0.382 55.257 54.840 0.059 0.000 0.831 294 L CB 0.335 42.386 42.059 -0.015 0.000 1.100 294 L HN 0.643 nan 8.230 nan 0.000 0.505 295 K N 1.174 121.582 120.400 0.013 0.000 2.265 295 K HA 0.420 4.739 4.320 -0.001 0.000 0.267 295 K C 0.113 176.498 176.600 -0.358 0.000 0.994 295 K CA 0.142 56.320 56.287 -0.183 0.000 0.860 295 K CB 1.108 33.430 32.500 -0.298 0.000 1.099 295 K HN 0.743 nan 8.250 nan 0.000 0.448 296 G N 4.787 113.214 108.800 -0.621 0.000 2.303 296 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.260 296 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.260 296 G C -0.104 174.292 174.900 -0.839 0.000 1.106 296 G CA -0.373 43.835 45.100 -1.486 0.000 0.900 296 G HN 0.509 nan 8.290 nan 0.000 0.495 297 M N 0.998 120.347 119.600 -0.418 0.000 3.462 297 M HA 0.412 4.892 4.480 -0.001 0.000 0.219 297 M C 1.088 177.324 176.300 -0.107 0.000 1.207 297 M CA 0.172 55.353 55.300 -0.198 0.000 1.284 297 M CB -0.223 32.304 32.600 -0.122 0.000 1.160 297 M HN 0.274 nan 8.290 nan 0.000 0.598 298 S N -1.613 114.050 115.700 -0.061 0.000 2.221 298 S HA 0.149 4.619 4.470 -0.001 0.000 0.264 298 S C 0.010 174.737 174.600 0.211 0.000 0.971 298 S CA -0.408 57.837 58.200 0.076 0.000 1.397 298 S CB 0.416 63.682 63.200 0.111 0.000 1.050 298 S HN 0.391 nan 8.310 nan 0.000 0.507 299 Y N 4.620 124.914 120.300 -0.010 0.000 2.757 299 Y HA 0.237 4.786 4.550 -0.001 0.000 0.344 299 Y C 1.477 177.372 175.900 -0.008 0.000 1.263 299 Y CA -0.805 57.288 58.100 -0.012 0.000 1.493 299 Y CB -0.150 38.300 38.460 -0.018 0.000 1.342 299 Y HN 0.300 nan 8.280 nan 0.000 0.627 300 S N 2.906 118.695 115.700 0.148 0.000 2.614 300 S HA 0.354 4.823 4.470 -0.001 0.000 0.265 300 S C 0.055 174.698 174.600 0.071 0.000 1.303 300 S CA -1.056 57.190 58.200 0.077 0.000 1.000 300 S CB 0.920 64.140 63.200 0.033 0.000 0.935 300 S HN 0.672 nan 8.310 nan 0.000 0.551 301 M N 1.253 120.887 119.600 0.056 0.000 2.233 301 M HA 0.223 4.703 4.480 -0.001 0.000 0.350 301 M C -0.777 175.549 176.300 0.044 0.000 1.176 301 M CA -0.460 54.873 55.300 0.055 0.000 1.150 301 M CB 0.183 32.817 32.600 0.057 0.000 1.530 301 M HN 0.821 nan 8.290 nan 0.000 0.459 302 c N 3.351 121.970 118.600 0.032 0.000 2.585 302 c HA 0.187 4.757 4.570 -0.001 0.000 0.406 302 c C 1.912 176.084 174.090 0.137 0.000 1.312 302 c CA -0.277 56.033 56.329 -0.031 0.000 1.924 302 c CB 0.081 42.391 42.510 -0.333 0.000 2.578 302 c HN 0.962 nan 8.230 nan 0.000 0.580 303 T N 0.529 115.191 114.554 0.182 0.000 3.015 303 T HA 0.177 4.527 4.350 -0.001 0.000 0.250 303 T C 1.018 175.821 174.700 0.172 0.000 1.057 303 T CA 0.571 62.767 62.100 0.159 0.000 1.066 303 T CB -0.057 68.872 68.868 0.101 0.000 0.959 303 T HN 0.764 nan 8.240 nan 0.000 0.488 304 G N 1.970 110.921 108.800 0.252 0.000 2.611 304 G HA2 0.470 4.430 3.960 -0.001 0.000 0.273 304 G HA3 0.470 4.430 3.960 -0.001 0.000 0.273 304 G C -0.469 174.406 174.900 -0.042 0.000 1.305 304 G CA -0.926 44.155 45.100 -0.032 0.000 1.010 304 G HN 0.630 nan 8.290 nan 0.000 0.509 305 K N -1.006 119.255 120.400 -0.232 0.000 2.123 305 K HA 0.572 4.892 4.320 -0.001 0.000 0.248 305 K C -1.347 175.078 176.600 -0.293 0.000 0.969 305 K CA -0.570 55.648 56.287 -0.115 0.000 0.882 305 K CB 1.666 34.147 32.500 -0.032 0.000 1.080 305 K HN 0.280 nan 8.250 nan 0.000 0.441 306 F N 0.368 120.373 119.950 0.092 0.000 2.557 306 F HA 0.476 5.003 4.527 -0.001 0.000 0.336 306 F C 0.210 176.039 175.800 0.048 0.000 1.058 306 F CA -0.734 57.329 58.000 0.105 0.000 0.988 306 F CB 1.811 40.893 39.000 0.137 0.000 1.275 306 F HN 0.401 nan 8.300 nan 0.000 0.488 307 K N 0.682 121.238 120.400 0.259 0.000 2.482 307 K HA 0.541 4.860 4.320 -0.001 0.000 0.251 307 K C -1.844 174.841 176.600 0.141 0.000 0.936 307 K CA -0.637 55.737 56.287 0.144 0.000 0.791 307 K CB 1.970 34.516 32.500 0.076 0.000 1.213 307 K HN 0.441 nan 8.250 nan 0.000 0.428 308 V N 5.257 125.232 119.914 0.102 0.000 2.403 308 V HA -0.012 4.108 4.120 -0.001 0.000 0.265 308 V C 1.196 177.327 176.094 0.062 0.000 1.034 308 V CA -0.007 62.340 62.300 0.079 0.000 1.036 308 V CB 0.796 32.656 31.823 0.062 0.000 1.032 308 V HN 0.691 nan 8.190 nan 0.000 0.478 309 V N 4.458 124.407 119.914 0.060 0.000 2.535 309 V HA -0.047 4.073 4.120 -0.001 0.000 0.246 309 V C 1.585 177.696 176.094 0.028 0.000 1.045 309 V CA 1.592 63.917 62.300 0.042 0.000 1.058 309 V CB -0.246 31.600 31.823 0.039 0.000 0.689 309 V HN 0.852 nan 8.190 nan 0.000 0.461 310 K N -0.182 120.231 120.400 0.022 0.000 4.493 310 K HA 0.384 4.704 4.320 -0.001 0.000 0.206 310 K C -0.116 176.498 176.600 0.024 0.000 1.105 310 K CA -0.370 55.926 56.287 0.015 0.000 1.928 310 K CB 0.668 33.166 32.500 -0.003 0.000 2.779 310 K HN 0.176 nan 8.250 nan 0.000 0.614 311 E N 0.592 120.802 120.200 0.017 0.000 2.830 311 E HA 0.138 4.488 4.350 -0.001 0.000 0.333 311 E C -1.302 175.306 176.600 0.013 0.000 0.974 311 E CA -0.216 56.203 56.400 0.032 0.000 0.819 311 E CB 0.822 30.552 29.700 0.050 0.000 1.293 311 E HN 0.380 nan 8.360 nan 0.000 0.419 312 I N 2.627 123.191 120.570 -0.010 0.000 3.114 312 I HA -0.117 4.053 4.170 -0.001 0.000 0.320 312 I C 0.257 176.334 176.117 -0.067 0.000 1.230 312 I CA 1.106 62.332 61.300 -0.123 0.000 1.440 312 I CB -0.006 37.861 38.000 -0.222 0.000 1.334 312 I HN 0.438 nan 8.210 nan 0.000 0.532 313 A N 6.673 129.428 122.820 -0.108 0.000 2.359 313 A HA 0.454 4.774 4.320 -0.001 0.000 0.303 313 A C -0.390 177.176 177.584 -0.030 0.000 1.066 313 A CA -0.666 51.377 52.037 0.009 0.000 0.730 313 A CB 1.226 20.240 19.000 0.022 0.000 1.211 313 A HN 0.735 nan 8.150 nan 0.000 0.439 314 E N 1.438 121.705 120.200 0.112 0.000 2.354 314 E HA 0.414 4.763 4.350 -0.001 0.000 0.269 314 E C 0.590 177.229 176.600 0.066 0.000 1.036 314 E CA -0.007 56.460 56.400 0.112 0.000 0.876 314 E CB 0.715 30.614 29.700 0.331 0.000 1.009 314 E HN 0.750 nan 8.360 nan 0.000 0.416 315 T N 0.859 115.437 114.554 0.041 0.000 2.881 315 T HA 0.118 4.468 4.350 -0.001 0.000 0.278 315 T C 0.976 175.678 174.700 0.003 0.000 0.982 315 T CA -0.585 61.543 62.100 0.047 0.000 0.989 315 T CB 1.222 70.156 68.868 0.111 0.000 1.058 315 T HN 0.548 nan 8.240 nan 0.000 0.529 316 Q N -0.433 119.320 119.800 -0.078 0.000 2.508 316 Q HA -0.095 4.245 4.340 -0.001 0.000 0.214 316 Q C 0.480 176.224 176.000 -0.426 0.000 0.979 316 Q CA 1.217 56.863 55.803 -0.261 0.000 0.911 316 Q CB -0.293 28.226 28.738 -0.366 0.000 0.969 316 Q HN 0.791 nan 8.270 nan 0.000 0.504 317 H N -1.733 117.378 119.070 0.067 0.000 2.486 317 H HA 0.270 4.826 4.556 -0.001 0.000 0.284 317 H C 0.860 176.143 175.328 -0.075 0.000 1.103 317 H CA 0.276 56.336 56.048 0.021 0.000 1.089 317 H CB 0.947 30.752 29.762 0.071 0.000 1.603 317 H HN 0.309 nan 8.280 nan 0.000 0.557 318 G N 1.138 109.940 108.800 0.002 0.000 2.159 318 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.256 318 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.256 318 G C 0.705 175.540 174.900 -0.108 0.000 0.977 318 G CA 0.487 45.539 45.100 -0.080 0.000 0.652 318 G HN 0.587 nan 8.290 nan 0.000 0.531 319 T N -0.891 113.627 114.554 -0.060 0.000 2.912 319 T HA 0.762 5.112 4.350 -0.001 0.000 0.280 319 T C 0.537 175.171 174.700 -0.109 0.000 0.989 319 T CA -0.311 61.735 62.100 -0.090 0.000 0.995 319 T CB 2.242 71.097 68.868 -0.021 0.000 1.077 319 T HN 1.269 nan 8.240 nan 0.000 0.531 320 I N -1.329 119.121 120.570 -0.200 0.000 2.646 320 I HA 0.834 5.004 4.170 -0.001 0.000 0.299 320 I C -1.406 174.585 176.117 -0.209 0.000 1.036 320 I CA -1.594 59.514 61.300 -0.320 0.000 1.074 320 I CB 2.231 39.813 38.000 -0.696 0.000 1.258 320 I HN 0.392 nan 8.210 nan 0.000 0.430 321 V N 5.872 125.677 119.914 -0.181 0.000 2.588 321 V HA 0.561 4.681 4.120 -0.001 0.000 0.304 321 V C -0.324 175.702 176.094 -0.114 0.000 1.042 321 V CA -0.487 61.741 62.300 -0.120 0.000 0.877 321 V CB 2.158 33.934 31.823 -0.079 0.000 0.996 321 V HN 0.689 nan 8.190 nan 0.000 0.425 322 I N 3.800 124.321 120.570 -0.082 0.000 2.828 322 I HA 0.662 4.831 4.170 -0.001 0.000 0.302 322 I C -0.653 175.447 176.117 -0.028 0.000 1.101 322 I CA -0.952 60.322 61.300 -0.044 0.000 1.031 322 I CB 2.364 40.360 38.000 -0.006 0.000 1.231 322 I HN 0.650 nan 8.210 nan 0.000 0.427 323 R N 6.280 126.774 120.500 -0.010 0.000 2.451 323 R HA 0.637 4.976 4.340 -0.001 0.000 0.307 323 R C -1.611 174.711 176.300 0.036 0.000 0.965 323 R CA -0.503 55.596 56.100 -0.002 0.000 0.865 323 R CB 1.646 31.933 30.300 -0.021 0.000 1.174 323 R HN 0.494 nan 8.270 nan 0.000 0.455 324 V N 0.667 120.621 119.914 0.067 0.000 3.103 324 V HA 0.640 4.759 4.120 -0.001 0.000 0.318 324 V C -0.935 175.286 176.094 0.211 0.000 1.114 324 V CA -0.920 61.466 62.300 0.143 0.000 1.020 324 V CB 1.860 33.773 31.823 0.151 0.000 1.085 324 V HN 0.833 nan 8.190 nan 0.000 0.446 325 Q N 0.663 120.630 119.800 0.278 0.000 2.323 325 Q HA 0.453 4.793 4.340 -0.001 0.000 0.271 325 Q C -2.121 174.051 176.000 0.288 0.000 1.048 325 Q CA -0.759 55.189 55.803 0.241 0.000 0.792 325 Q CB 2.296 31.105 28.738 0.119 0.000 1.280 325 Q HN 0.890 nan 8.270 nan 0.000 0.441 326 Y N 2.868 123.195 120.300 0.046 0.000 2.336 326 Y HA 0.200 4.750 4.550 -0.001 0.000 0.335 326 Y C -0.121 175.634 175.900 -0.241 0.000 1.046 326 Y CA 0.054 57.954 58.100 -0.333 0.000 1.198 326 Y CB 1.121 39.408 38.460 -0.288 0.000 1.182 326 Y HN 0.736 nan 8.280 nan 0.000 0.502 327 E N 2.922 122.637 120.200 -0.810 0.000 2.562 327 E HA 0.234 4.583 4.350 -0.001 0.000 0.214 327 E C 0.881 176.982 176.600 -0.830 0.000 0.979 327 E CA -0.016 56.020 56.400 -0.608 0.000 1.002 327 E CB 0.610 30.108 29.700 -0.336 0.000 1.048 327 E HN 0.779 nan 8.360 nan 0.000 0.488 328 G N 1.273 109.044 108.800 -1.715 0.000 2.570 328 G HA2 0.048 4.008 3.960 -0.001 0.000 0.276 328 G HA3 0.048 4.008 3.960 -0.001 0.000 0.276 328 G C 0.005 174.560 174.900 -0.575 0.000 1.346 328 G CA -0.273 44.152 45.100 -1.126 0.000 1.034 328 G HN -0.008 nan 8.290 nan 0.000 0.512 329 D N -0.545 119.756 120.400 -0.165 0.000 2.788 329 D HA 0.227 4.866 4.640 -0.001 0.000 0.289 329 D C 1.283 177.627 176.300 0.074 0.000 1.340 329 D CA 0.103 54.083 54.000 -0.033 0.000 0.831 329 D CB 0.753 41.523 40.800 -0.052 0.000 1.103 329 D HN 0.447 nan 8.370 nan 0.000 0.476 330 G N 0.097 109.029 108.800 0.219 0.000 2.781 330 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.208 330 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.208 330 G C 0.648 175.580 174.900 0.052 0.000 1.099 330 G CA -0.157 45.017 45.100 0.124 0.000 0.776 330 G HN 0.177 nan 8.290 nan 0.000 0.532 331 S N 1.923 117.681 115.700 0.096 0.000 2.711 331 S HA 0.105 4.574 4.470 -0.001 0.000 0.320 331 S C -2.463 172.084 174.600 -0.089 0.000 1.240 331 S CA -0.475 57.719 58.200 -0.011 0.000 1.034 331 S CB 0.262 63.502 63.200 0.065 0.000 0.741 331 S HN 0.149 nan 8.310 nan 0.000 0.496 332 P HA 0.491 nan 4.420 nan 0.000 0.276 332 P C -0.476 176.641 177.300 -0.305 0.000 1.230 332 P CA -0.556 62.354 63.100 -0.316 0.000 0.776 332 P CB 0.302 31.614 31.700 -0.646 0.000 0.888 333 c N 0.014 118.537 118.600 -0.127 0.000 3.311 333 c HA 0.549 5.118 4.570 -0.001 0.000 0.325 333 c C -0.751 173.388 174.090 0.081 0.000 1.352 333 c CA -1.316 55.003 56.329 -0.016 0.000 1.308 333 c CB 1.150 43.596 42.510 -0.106 0.000 1.619 333 c HN 0.429 nan 8.230 nan 0.000 0.469 334 K N 0.860 121.326 120.400 0.110 0.000 2.185 334 K HA 0.599 4.919 4.320 -0.001 0.000 0.271 334 K C -0.631 176.000 176.600 0.052 0.000 1.013 334 K CA -0.077 56.261 56.287 0.084 0.000 0.943 334 K CB 0.794 33.335 32.500 0.068 0.000 0.998 334 K HN 0.590 nan 8.250 nan 0.000 0.468 335 I N 4.193 124.787 120.570 0.040 0.000 2.304 335 I HA 0.158 4.327 4.170 -0.001 0.000 0.291 335 I C -2.122 174.008 176.117 0.022 0.000 1.018 335 I CA -2.391 58.917 61.300 0.013 0.000 1.260 335 I CB 1.150 39.090 38.000 -0.100 0.000 1.390 335 I HN 0.229 nan 8.210 nan 0.000 0.475 336 P HA 0.083 nan 4.420 nan 0.000 0.269 336 P C -1.024 176.290 177.300 0.023 0.000 1.263 336 P CA 0.342 63.470 63.100 0.047 0.000 0.813 336 P CB -0.066 31.674 31.700 0.068 0.000 0.868 337 F N 3.317 123.214 119.950 -0.088 0.000 2.539 337 F HA 0.436 4.963 4.527 -0.000 0.000 0.318 337 F C -0.238 175.525 175.800 -0.062 0.000 1.135 337 F CA -0.407 57.533 58.000 -0.100 0.000 0.915 337 F CB 1.782 40.710 39.000 -0.121 0.000 1.176 337 F HN 0.185 nan 8.300 nan 0.000 0.440 338 E N 6.342 126.395 120.200 -0.246 0.000 2.352 338 E HA 0.421 4.770 4.350 -0.001 0.000 0.280 338 E C -1.410 175.089 176.600 -0.169 0.000 0.930 338 E CA -0.753 55.607 56.400 -0.066 0.000 0.765 338 E CB 3.013 32.690 29.700 -0.037 0.000 1.219 338 E HN 0.494 nan 8.360 nan 0.000 0.434 339 I N 3.423 123.985 120.570 -0.013 0.000 2.354 339 I HA 0.396 4.565 4.170 -0.001 0.000 0.292 339 I C 0.001 176.148 176.117 0.050 0.000 0.989 339 I CA -0.272 61.035 61.300 0.010 0.000 1.188 339 I CB 0.910 38.951 38.000 0.068 0.000 1.342 339 I HN 0.354 nan 8.210 nan 0.000 0.457 340 M N 4.096 123.758 119.600 0.103 0.000 2.852 340 M HA 0.378 4.857 4.480 -0.001 0.000 0.301 340 M C -0.776 175.633 176.300 0.182 0.000 1.229 340 M CA -0.813 54.572 55.300 0.141 0.000 0.832 340 M CB 2.043 34.735 32.600 0.153 0.000 1.726 340 M HN 0.543 nan 8.290 nan 0.000 0.497 341 D N -0.486 120.025 120.400 0.185 0.000 2.539 341 D HA 0.330 4.969 4.640 -0.001 0.000 0.276 341 D C 0.688 177.107 176.300 0.199 0.000 1.206 341 D CA -0.629 53.458 54.000 0.145 0.000 1.081 341 D CB 0.610 41.493 40.800 0.139 0.000 1.142 341 D HN 0.495 nan 8.370 nan 0.000 0.595 342 L N -1.239 120.051 121.223 0.112 0.000 2.156 342 L HA -0.018 4.322 4.340 -0.001 0.000 0.208 342 L C 1.797 178.777 176.870 0.184 0.000 1.095 342 L CA 0.928 55.855 54.840 0.146 0.000 0.770 342 L CB -0.310 41.781 42.059 0.053 0.000 0.914 342 L HN 0.520 nan 8.230 nan 0.000 0.439 343 E N 1.518 121.791 120.200 0.122 0.000 2.296 343 E HA -0.029 4.321 4.350 -0.001 0.000 0.196 343 E C -0.334 176.321 176.600 0.092 0.000 1.143 343 E CA -0.097 56.356 56.400 0.089 0.000 1.145 343 E CB -0.075 29.654 29.700 0.047 0.000 1.215 343 E HN 0.247 nan 8.360 nan 0.000 0.447 344 K N 0.676 121.156 120.400 0.134 0.000 4.444 344 K HA -0.235 4.085 4.320 -0.001 0.000 0.281 344 K C -0.220 176.420 176.600 0.067 0.000 0.817 344 K CA 0.506 56.843 56.287 0.084 0.000 0.793 344 K CB -0.767 31.737 32.500 0.007 0.000 1.784 344 K HN 0.224 nan 8.250 nan 0.000 0.424 345 R N 1.281 121.842 120.500 0.103 0.000 2.600 345 R HA 0.030 4.370 4.340 -0.001 0.000 0.266 345 R C -1.912 174.519 176.300 0.219 0.000 0.739 345 R CA -0.432 55.737 56.100 0.115 0.000 0.828 345 R CB -0.083 30.264 30.300 0.079 0.000 1.487 345 R HN 0.556 nan 8.270 nan 0.000 0.336 346 H N 0.169 119.261 119.070 0.037 0.000 6.149 346 H HA 0.037 4.592 4.556 -0.001 0.000 0.877 346 H C -1.178 174.175 175.328 0.040 0.000 1.986 346 H CA -0.289 55.780 56.048 0.035 0.000 1.427 346 H CB 0.221 30.005 29.762 0.036 0.000 4.578 346 H HN 0.108 nan 8.280 nan 0.000 0.668 347 V N 6.084 125.955 119.914 -0.073 0.000 2.509 347 V HA -0.032 4.088 4.120 -0.001 0.000 0.297 347 V C 1.491 177.558 176.094 -0.044 0.000 1.014 347 V CA 0.889 63.166 62.300 -0.039 0.000 1.127 347 V CB 0.247 32.041 31.823 -0.048 0.000 0.925 347 V HN 0.690 nan 8.190 nan 0.000 0.480 348 L N 4.327 125.559 121.223 0.015 0.000 2.766 348 L HA 0.460 4.800 4.340 -0.001 0.000 0.242 348 L C 0.962 177.843 176.870 0.019 0.000 1.136 348 L CA 0.311 55.166 54.840 0.026 0.000 0.933 348 L CB 0.439 42.533 42.059 0.058 0.000 1.241 348 L HN 0.769 nan 8.230 nan 0.000 0.522 349 G N 0.774 109.588 108.800 0.023 0.000 2.667 349 G HA2 0.554 4.514 3.960 -0.001 0.000 0.298 349 G HA3 0.554 4.514 3.960 -0.001 0.000 0.298 349 G C -1.074 173.841 174.900 0.025 0.000 1.377 349 G CA -0.651 44.461 45.100 0.020 0.000 0.964 349 G HN 0.060 nan 8.290 nan 0.000 0.493 350 R N 1.070 121.566 120.500 -0.007 0.000 2.536 350 R HA 0.670 5.010 4.340 -0.001 0.000 0.279 350 R C -0.887 175.382 176.300 -0.051 0.000 1.001 350 R CA -0.854 55.231 56.100 -0.024 0.000 1.027 350 R CB 1.560 31.834 30.300 -0.044 0.000 1.096 350 R HN 0.329 nan 8.270 nan 0.000 0.502 351 L N 2.671 123.843 121.223 -0.085 0.000 2.326 351 L HA 0.171 4.511 4.340 -0.001 0.000 0.278 351 L C 0.962 177.745 176.870 -0.145 0.000 1.092 351 L CA -0.618 54.116 54.840 -0.176 0.000 0.810 351 L CB 1.309 43.223 42.059 -0.241 0.000 1.153 351 L HN 0.722 nan 8.230 nan 0.000 0.439 352 I N 0.579 121.062 120.570 -0.145 0.000 2.628 352 I HA -0.016 4.153 4.170 -0.001 0.000 0.255 352 I C 1.194 177.215 176.117 -0.161 0.000 1.119 352 I CA 0.857 62.089 61.300 -0.113 0.000 1.448 352 I CB -0.437 37.554 38.000 -0.016 0.000 1.133 352 I HN 0.487 nan 8.210 nan 0.000 0.438 353 T N 4.752 119.247 114.554 -0.098 0.000 3.414 353 T HA 0.276 4.626 4.350 -0.001 0.000 0.304 353 T C 0.433 175.055 174.700 -0.130 0.000 1.241 353 T CA -0.166 61.915 62.100 -0.031 0.000 1.076 353 T CB -0.320 68.537 68.868 -0.020 0.000 1.134 353 T HN 0.106 nan 8.240 nan 0.000 0.759 354 V N 1.581 121.421 119.914 -0.124 0.000 2.843 354 V HA 0.349 4.469 4.120 -0.001 0.000 0.305 354 V C 0.762 176.808 176.094 -0.080 0.000 1.065 354 V CA -1.043 61.189 62.300 -0.113 0.000 1.116 354 V CB -0.052 31.710 31.823 -0.101 0.000 0.968 354 V HN 0.841 nan 8.190 nan 0.000 0.487 355 N N 1.426 120.080 118.700 -0.076 0.000 2.708 355 N HA -0.106 4.634 4.740 -0.001 0.000 0.255 355 N C -2.626 172.859 175.510 -0.041 0.000 1.046 355 N CA 0.637 53.655 53.050 -0.053 0.000 0.715 355 N CB -1.124 37.335 38.487 -0.046 0.000 0.895 355 N HN 0.813 nan 8.380 nan 0.000 0.545 356 P HA 0.206 nan 4.420 nan 0.000 0.267 356 P C -0.014 177.287 177.300 0.002 0.000 1.209 356 P CA 0.189 63.258 63.100 -0.051 0.000 0.763 356 P CB 0.329 31.959 31.700 -0.115 0.000 0.816 357 I N -0.414 120.180 120.570 0.040 0.000 2.769 357 I HA 0.584 4.753 4.170 -0.001 0.000 0.298 357 I C -0.978 175.195 176.117 0.093 0.000 1.128 357 I CA -1.469 59.885 61.300 0.090 0.000 1.031 357 I CB 2.328 40.429 38.000 0.169 0.000 1.235 357 I HN -0.112 nan 8.210 nan 0.000 0.423 358 V N 4.179 124.134 119.914 0.070 0.000 2.465 358 V HA 0.292 4.412 4.120 -0.001 0.000 0.279 358 V C 0.743 176.869 176.094 0.052 0.000 1.045 358 V CA 0.098 62.434 62.300 0.060 0.000 0.938 358 V CB 1.214 33.019 31.823 -0.031 0.000 0.986 358 V HN 1.031 nan 8.190 nan 0.000 0.467 359 T N 3.297 117.891 114.554 0.067 0.000 3.000 359 T HA 0.233 4.583 4.350 -0.001 0.000 0.248 359 T C 0.255 174.974 174.700 0.031 0.000 1.034 359 T CA 0.304 62.432 62.100 0.045 0.000 1.060 359 T CB 0.231 69.136 68.868 0.063 0.000 0.983 359 T HN 0.717 nan 8.240 nan 0.000 0.482 360 E N 0.491 120.725 120.200 0.057 0.000 2.304 360 E HA 0.326 4.676 4.350 -0.001 0.000 0.277 360 E C -0.127 176.523 176.600 0.082 0.000 0.898 360 E CA -0.474 55.959 56.400 0.054 0.000 0.764 360 E CB 2.290 32.015 29.700 0.043 0.000 1.216 360 E HN -0.163 nan 8.360 nan 0.000 0.419 361 K N 1.361 121.808 120.400 0.078 0.000 2.023 361 K HA -0.248 4.071 4.320 -0.001 0.000 0.227 361 K C 1.020 177.657 176.600 0.061 0.000 1.054 361 K CA 2.188 58.519 56.287 0.074 0.000 0.977 361 K CB -0.039 32.470 32.500 0.015 0.000 0.733 361 K HN 0.405 nan 8.250 nan 0.000 0.451 362 D N -0.086 120.338 120.400 0.040 0.000 2.690 362 D HA 0.056 4.696 4.640 -0.001 0.000 0.236 362 D C -1.138 175.192 176.300 0.051 0.000 1.218 362 D CA 0.022 54.045 54.000 0.037 0.000 0.829 362 D CB -0.292 40.521 40.800 0.022 0.000 1.009 362 D HN 0.259 nan 8.370 nan 0.000 0.482 363 S N -0.141 115.599 115.700 0.066 0.000 2.718 363 S HA 0.603 5.073 4.470 -0.001 0.000 0.294 363 S C -2.672 171.970 174.600 0.069 0.000 1.157 363 S CA -1.409 56.830 58.200 0.064 0.000 1.121 363 S CB 2.014 65.255 63.200 0.067 0.000 1.015 363 S HN -0.144 nan 8.310 nan 0.000 0.479 364 P HA 0.146 nan 4.420 nan 0.000 0.270 364 P C -0.942 176.383 177.300 0.042 0.000 1.216 364 P CA -0.334 62.795 63.100 0.049 0.000 0.788 364 P CB 0.431 32.130 31.700 -0.002 0.000 0.883 365 V N 1.788 121.735 119.914 0.056 0.000 2.577 365 V HA 0.294 4.414 4.120 -0.001 0.000 0.303 365 V C -0.251 175.839 176.094 -0.008 0.000 1.042 365 V CA -0.625 61.694 62.300 0.032 0.000 0.872 365 V CB 1.668 33.529 31.823 0.063 0.000 0.998 365 V HN 0.443 nan 8.190 nan 0.000 0.423 366 N N 4.259 122.932 118.700 -0.044 0.000 2.479 366 N HA 0.738 5.478 4.740 -0.001 0.000 0.285 366 N C -0.990 174.463 175.510 -0.095 0.000 1.075 366 N CA -0.382 52.624 53.050 -0.073 0.000 0.967 366 N CB 1.538 39.963 38.487 -0.103 0.000 1.137 366 N HN 0.609 nan 8.380 nan 0.000 0.472 367 I N 0.464 120.967 120.570 -0.113 0.000 2.499 367 I HA 0.282 4.451 4.170 -0.001 0.000 0.288 367 I C -0.454 175.553 176.117 -0.182 0.000 1.048 367 I CA -0.705 60.483 61.300 -0.187 0.000 1.062 367 I CB 2.085 39.902 38.000 -0.304 0.000 1.238 367 I HN 0.493 nan 8.210 nan 0.000 0.426 368 E N 5.255 125.361 120.200 -0.157 0.000 2.166 368 E HA 0.797 5.147 4.350 -0.001 0.000 0.275 368 E C -1.359 175.138 176.600 -0.172 0.000 0.941 368 E CA -0.551 55.785 56.400 -0.106 0.000 0.784 368 E CB 1.812 31.530 29.700 0.030 0.000 1.115 368 E HN 0.762 nan 8.360 nan 0.000 0.399 369 A N 3.937 126.659 122.820 -0.164 0.000 2.515 369 A HA 0.439 4.758 4.320 -0.001 0.000 0.296 369 A C -1.196 176.316 177.584 -0.121 0.000 1.094 369 A CA -0.748 51.195 52.037 -0.157 0.000 0.718 369 A CB 1.712 20.641 19.000 -0.118 0.000 1.307 369 A HN 0.727 nan 8.150 nan 0.000 0.408 370 E N 2.018 122.155 120.200 -0.105 0.000 2.121 370 E HA 0.413 4.763 4.350 -0.001 0.000 0.255 370 E C -2.534 174.006 176.600 -0.101 0.000 0.906 370 E CA -2.016 54.307 56.400 -0.129 0.000 0.745 370 E CB 1.197 30.810 29.700 -0.146 0.000 1.155 370 E HN 0.465 nan 8.360 nan 0.000 0.424 371 P HA 0.252 nan 4.420 nan 0.000 0.281 371 P C -2.577 174.656 177.300 -0.111 0.000 1.249 371 P CA -1.588 61.472 63.100 -0.066 0.000 0.810 371 P CB 1.017 32.693 31.700 -0.041 0.000 1.008 372 P HA 0.140 nan 4.420 nan 0.000 0.274 372 P C -0.287 176.910 177.300 -0.171 0.000 1.260 372 P CA -0.144 62.921 63.100 -0.058 0.000 0.793 372 P CB 0.399 32.113 31.700 0.023 0.000 1.048 373 F N -0.311 119.605 119.950 -0.056 0.000 2.471 373 F HA 0.409 4.935 4.527 -0.001 0.000 0.353 373 F C 1.721 177.414 175.800 -0.179 0.000 1.113 373 F CA 2.044 59.967 58.000 -0.129 0.000 1.262 373 F CB -0.042 38.895 39.000 -0.106 0.000 1.146 373 F HN 0.760 nan 8.300 nan 0.000 0.578 374 G N 3.166 111.795 108.800 -0.286 0.000 2.542 374 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.235 374 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.235 374 G C -1.088 173.706 174.900 -0.176 0.000 1.286 374 G CA -0.684 44.210 45.100 -0.343 0.000 0.904 374 G HN 0.568 nan 8.290 nan 0.000 0.577 375 D N 1.722 122.183 120.400 0.103 0.000 2.417 375 D HA 0.494 5.134 4.640 -0.001 0.000 0.250 375 D C 0.833 177.106 176.300 -0.044 0.000 1.166 375 D CA 1.271 55.303 54.000 0.053 0.000 0.881 375 D CB 1.068 41.891 40.800 0.038 0.000 1.164 375 D HN 0.940 nan 8.370 nan 0.000 0.467 376 S N 1.458 117.106 115.700 -0.086 0.000 2.776 376 S HA 0.618 5.088 4.470 -0.001 0.000 0.292 376 S C -1.111 173.353 174.600 -0.228 0.000 1.187 376 S CA -0.946 57.205 58.200 -0.083 0.000 0.834 376 S CB 1.430 64.663 63.200 0.055 0.000 1.199 376 S HN 0.444 nan 8.310 nan 0.000 0.514 377 Y N -0.091 120.253 120.300 0.073 0.000 2.425 377 Y HA 0.599 5.148 4.550 -0.001 0.000 0.344 377 Y C -0.712 175.162 175.900 -0.042 0.000 0.969 377 Y CA -1.197 56.922 58.100 0.031 0.000 1.052 377 Y CB 1.792 40.256 38.460 0.007 0.000 1.215 377 Y HN 0.475 nan 8.280 nan 0.000 0.451 378 I N 5.555 126.210 120.570 0.141 0.000 2.405 378 I HA 0.268 4.437 4.170 -0.001 0.000 0.280 378 I C -0.834 175.165 176.117 -0.197 0.000 1.027 378 I CA -0.656 60.562 61.300 -0.135 0.000 1.161 378 I CB 0.776 38.702 38.000 -0.124 0.000 1.300 378 I HN 0.481 nan 8.210 nan 0.000 0.463 379 I N 7.038 127.419 120.570 -0.315 0.000 2.312 379 I HA 0.335 4.504 4.170 -0.001 0.000 0.290 379 I C 0.062 175.946 176.117 -0.390 0.000 1.008 379 I CA -0.028 61.113 61.300 -0.265 0.000 1.226 379 I CB 0.948 38.834 38.000 -0.191 0.000 1.371 379 I HN 0.226 nan 8.210 nan 0.000 0.468 380 I N 5.762 126.165 120.570 -0.278 0.000 2.404 380 I HA 0.641 4.811 4.170 -0.001 0.000 0.293 380 I C 0.791 176.853 176.117 -0.091 0.000 0.992 380 I CA -0.262 60.867 61.300 -0.285 0.000 1.149 380 I CB 0.756 38.590 38.000 -0.277 0.000 1.315 380 I HN 0.752 nan 8.210 nan 0.000 0.446 381 G N 5.082 113.849 108.800 -0.056 0.000 2.796 381 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.226 381 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.226 381 G C -0.585 174.389 174.900 0.122 0.000 1.381 381 G CA -0.294 44.937 45.100 0.220 0.000 0.867 381 G HN 1.002 nan 8.290 nan 0.000 0.552 382 V N -3.019 116.987 119.914 0.153 0.000 2.864 382 V HA 0.879 4.999 4.120 -0.001 0.000 0.314 382 V C 0.410 176.547 176.094 0.073 0.000 1.073 382 V CA -0.621 61.729 62.300 0.083 0.000 0.956 382 V CB 1.835 33.704 31.823 0.077 0.000 1.023 382 V HN 1.079 nan 8.190 nan 0.000 0.435 383 E N 3.217 123.440 120.200 0.038 0.000 2.437 383 E HA 0.235 4.585 4.350 -0.001 0.000 0.263 383 E C -1.680 174.939 176.600 0.031 0.000 1.030 383 E CA -0.505 55.910 56.400 0.026 0.000 0.934 383 E CB 0.494 30.199 29.700 0.009 0.000 0.943 383 E HN 0.756 nan 8.360 nan 0.000 0.444 384 P HA -0.194 nan 4.420 nan 0.000 0.223 384 P C 0.264 177.576 177.300 0.019 0.000 1.031 384 P CA 1.100 64.209 63.100 0.015 0.000 0.993 384 P CB -0.082 31.623 31.700 0.008 0.000 0.599 385 G N 0.096 108.908 108.800 0.020 0.000 3.211 385 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.235 385 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.235 385 G C 0.249 175.179 174.900 0.049 0.000 1.032 385 G CA -0.096 45.020 45.100 0.025 0.000 1.819 385 G HN 0.429 nan 8.290 nan 0.000 0.590 386 Q N 0.182 120.008 119.800 0.043 0.000 2.300 386 Q HA 0.127 4.467 4.340 -0.001 0.000 0.280 386 Q C -0.319 175.696 176.000 0.024 0.000 1.033 386 Q CA -0.663 55.169 55.803 0.050 0.000 0.903 386 Q CB 0.408 29.156 28.738 0.017 0.000 1.195 386 Q HN 0.103 nan 8.270 nan 0.000 0.386 387 L N 5.049 126.295 121.223 0.037 0.000 2.410 387 L HA 0.149 4.489 4.340 -0.001 0.000 0.273 387 L C -0.219 176.626 176.870 -0.042 0.000 1.144 387 L CA 0.926 55.773 54.840 0.011 0.000 0.863 387 L CB 0.786 42.861 42.059 0.026 0.000 1.140 387 L HN 0.560 nan 8.230 nan 0.000 0.463 388 K N 6.127 126.508 120.400 -0.032 0.000 2.572 388 K HA 0.511 4.830 4.320 -0.001 0.000 0.244 388 K C -1.264 175.372 176.600 0.060 0.000 0.965 388 K CA -0.430 55.824 56.287 -0.056 0.000 0.943 388 K CB 1.235 33.640 32.500 -0.159 0.000 1.154 388 K HN 0.405 nan 8.250 nan 0.000 0.447 389 L N 2.241 123.533 121.223 0.115 0.000 2.309 389 L HA 0.393 4.733 4.340 -0.001 0.000 0.282 389 L C -0.158 176.890 176.870 0.298 0.000 1.036 389 L CA -1.115 53.830 54.840 0.175 0.000 0.806 389 L CB 1.133 43.255 42.059 0.106 0.000 1.220 389 L HN 0.429 nan 8.230 nan 0.000 0.429 390 D N 1.637 122.199 120.400 0.269 0.000 2.255 390 D HA 0.266 4.905 4.640 -0.001 0.000 0.249 390 D C -0.912 175.561 176.300 0.289 0.000 1.078 390 D CA 0.104 54.223 54.000 0.199 0.000 0.896 390 D CB 2.002 42.876 40.800 0.123 0.000 1.194 390 D HN 0.448 nan 8.370 nan 0.000 0.429 391 W N 3.002 124.280 121.300 -0.036 0.000 3.256 391 W HA 0.423 5.083 4.660 -0.001 0.000 0.324 391 W C -2.136 174.403 176.519 0.033 0.000 1.196 391 W CA -0.926 56.417 57.345 -0.002 0.000 1.206 391 W CB 1.726 31.169 29.460 -0.029 0.000 1.385 391 W HN 0.225 nan 8.180 nan 0.000 0.522 392 F N 5.505 124.848 119.950 -1.012 0.000 2.529 392 F HA 0.483 5.009 4.527 -0.001 0.000 0.320 392 F C -0.821 174.492 175.800 -0.812 0.000 1.118 392 F CA -0.861 56.752 58.000 -0.646 0.000 0.915 392 F CB 1.498 40.228 39.000 -0.451 0.000 1.161 392 F HN 0.241 nan 8.300 nan 0.000 0.445 393 K N 4.867 124.542 120.400 -1.208 0.000 2.185 393 K HA 0.329 4.649 4.320 -0.001 0.000 0.269 393 K C -0.669 175.444 176.600 -0.812 0.000 0.987 393 K CA -0.943 54.870 56.287 -0.790 0.000 0.865 393 K CB 0.960 33.125 32.500 -0.559 0.000 1.090 393 K HN 0.660 nan 8.250 nan 0.000 0.450 394 K N 2.342 122.523 120.400 -0.365 0.000 2.504 394 K HA 0.196 4.516 4.320 -0.001 0.000 0.278 394 K C 0.323 177.008 176.600 0.143 0.000 1.025 394 K CA 0.364 56.603 56.287 -0.080 0.000 1.093 394 K CB -0.024 32.485 32.500 0.015 0.000 0.873 394 K HN 0.754 nan 8.250 nan 0.000 0.483 395 G N 0.000 108.873 108.800 0.122 0.000 5.446 395 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 395 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 395 G CA 0.000 45.169 45.100 0.116 0.000 0.502 395 G HN 0.000 nan 8.290 nan 0.000 0.925