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 1hkk_1_A DATA FIRST_RESID 22 DATA SEQUENCE AKLVcYFTNW AQYRQGEARF LPKDLDPSLc THLIYAFAGM TNHQLSTTEW DATA SEQUENCE NDETLYQEFN GLKKMNPKLK TLLAIGGWNF GTQKFTDMVA TANNRQTFVN DATA SEQUENCE SAIRFLRKYS FDGLDLDWEY PGSQGSPAVD KERFTTLVQD LANAFQQEAQ DATA SEQUENCE TSGKERLLLS AAVPAGQTYV DAGYEVDKIA QNLDFVNLMA YDFHGSWEKV DATA SEQUENCE TGHNSPLYKR QEQSGAAASL NVDAAVQQWL QKGTPASKLI LGMPTYGRSF DATA SEQUENCE TLASSSDTRV GAPATGSGTP GPFTKEGGML AYYEVcSWKG ATKQRIQDQK DATA SEQUENCE VPYIFRDNQW VGFDDVESFK TKVSYLKQKG LGGAMVWALD LDDFAGFScN DATA SEQUENCE QGRYPLIQTL RQEL 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.561 177.584 -0.039 0.000 1.274 22 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 22 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 23 K N 0.096 120.448 120.400 -0.079 0.000 2.123 23 K HA 0.680 5.000 4.320 -0.000 0.000 0.259 23 K C -1.303 175.246 176.600 -0.086 0.000 0.960 23 K CA -0.747 55.476 56.287 -0.107 0.000 0.872 23 K CB 1.951 34.251 32.500 -0.333 0.000 1.079 23 K HN 0.521 nan 8.250 nan 0.000 0.440 24 L N 2.838 124.037 121.223 -0.039 0.000 2.442 24 L HA 0.280 4.620 4.340 -0.000 0.000 0.261 24 L C -1.508 175.360 176.870 -0.004 0.000 1.000 24 L CA -0.591 54.234 54.840 -0.026 0.000 0.882 24 L CB 1.496 43.546 42.059 -0.014 0.000 1.207 24 L HN 0.296 nan 8.230 nan 0.000 0.443 25 V N 4.270 124.170 119.914 -0.023 0.000 2.385 25 V HA 0.403 4.523 4.120 -0.000 0.000 0.269 25 V C -0.081 176.054 176.094 0.069 0.000 1.043 25 V CA -0.277 62.026 62.300 0.006 0.000 0.906 25 V CB 0.890 32.706 31.823 -0.013 0.000 0.995 25 V HN 0.845 nan 8.190 nan 0.000 0.467 26 c N 5.282 123.903 118.600 0.034 0.000 2.379 26 c HA 0.622 5.192 4.570 -0.000 0.000 0.323 26 c C -0.348 173.757 174.090 0.025 0.000 1.262 26 c CA -1.192 55.181 56.329 0.074 0.000 1.581 26 c CB 0.568 43.096 42.510 0.030 0.000 2.221 26 c HN 0.744 nan 8.230 nan 0.000 0.497 27 Y N 1.668 121.996 120.300 0.048 0.000 2.323 27 Y HA 0.511 5.061 4.550 -0.000 0.000 0.331 27 Y C 0.022 175.754 175.900 -0.281 0.000 1.092 27 Y CA -0.292 57.770 58.100 -0.062 0.000 1.150 27 Y CB 0.742 39.121 38.460 -0.135 0.000 1.200 27 Y HN 0.702 nan 8.280 nan 0.000 0.472 28 F N 3.227 123.026 119.950 -0.251 0.000 2.458 28 F HA 0.651 5.178 4.527 -0.000 0.000 0.330 28 F C -0.235 175.087 175.800 -0.797 0.000 1.082 28 F CA -0.597 57.114 58.000 -0.482 0.000 0.995 28 F CB 1.276 40.165 39.000 -0.185 0.000 1.170 28 F HN 0.469 nan 8.300 nan 0.000 0.478 29 T N 1.866 115.289 114.554 -1.885 0.000 2.841 29 T HA 0.243 4.593 4.350 -0.000 0.000 0.283 29 T C 0.095 173.607 174.700 -1.981 0.000 1.000 29 T CA -0.883 60.061 62.100 -1.926 0.000 0.977 29 T CB 1.250 68.621 68.868 -2.494 0.000 0.979 29 T HN 0.686 nan 8.240 nan 0.000 0.446 30 N N 1.108 119.125 118.700 -1.138 0.000 2.434 30 N HA 0.031 4.771 4.740 -0.000 0.000 0.196 30 N C 0.638 176.015 175.510 -0.221 0.000 1.183 30 N CA -0.477 52.237 53.050 -0.559 0.000 0.849 30 N CB -0.456 38.015 38.487 -0.027 0.000 0.992 30 N HN 0.975 nan 8.380 nan 0.000 0.460 31 W N -2.403 118.753 121.300 -0.240 0.000 2.998 31 W HA 0.653 5.313 4.660 -0.000 0.000 0.336 31 W C 1.320 177.772 176.519 -0.112 0.000 1.112 31 W CA -0.180 57.151 57.345 -0.024 0.000 1.682 31 W CB -0.150 29.402 29.460 0.152 0.000 1.065 31 W HN 0.061 nan 8.180 nan 0.000 0.570 32 A N 1.943 124.381 122.820 -0.636 0.000 2.067 32 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 32 A C 2.097 179.558 177.584 -0.205 0.000 1.158 32 A CA 1.623 53.408 52.037 -0.420 0.000 0.661 32 A CB -0.732 17.856 19.000 -0.687 0.000 0.801 32 A HN 0.634 nan 8.150 nan 0.000 0.452 33 Q N -1.890 117.705 119.800 -0.341 0.000 2.500 33 Q HA -0.131 4.209 4.340 -0.000 0.000 0.213 33 Q C 0.586 176.440 176.000 -0.245 0.000 0.974 33 Q CA 1.312 56.936 55.803 -0.297 0.000 0.918 33 Q CB -0.485 28.006 28.738 -0.412 0.000 0.980 33 Q HN 0.703 nan 8.270 nan 0.000 0.505 34 Y N 0.604 120.999 120.300 0.158 0.000 2.458 34 Y HA 0.339 4.889 4.550 -0.000 0.000 0.256 34 Y C 0.407 176.419 175.900 0.187 0.000 1.159 34 Y CA -0.777 57.434 58.100 0.184 0.000 1.261 34 Y CB 0.346 38.931 38.460 0.208 0.000 1.119 34 Y HN -0.027 nan 8.280 nan 0.000 0.524 35 R N 1.007 121.677 120.500 0.284 0.000 2.582 35 R HA 0.146 4.486 4.340 -0.000 0.000 0.271 35 R C 0.217 176.694 176.300 0.295 0.000 1.078 35 R CA -0.458 55.827 56.100 0.308 0.000 1.127 35 R CB 0.527 31.021 30.300 0.324 0.000 1.038 35 R HN 0.102 nan 8.270 nan 0.000 0.500 36 Q N 0.634 120.641 119.800 0.345 0.000 2.354 36 Q HA 0.159 4.499 4.340 -0.000 0.000 0.244 36 Q C 0.975 177.196 176.000 0.368 0.000 0.969 36 Q CA 0.609 56.603 55.803 0.317 0.000 0.885 36 Q CB 1.227 30.125 28.738 0.267 0.000 1.241 36 Q HN 0.869 nan 8.270 nan 0.000 0.461 37 G N 2.429 111.382 108.800 0.254 0.000 2.614 37 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.303 37 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.303 37 G C 0.598 175.539 174.900 0.069 0.000 1.270 37 G CA 0.392 45.608 45.100 0.193 0.000 0.988 37 G HN 0.658 nan 8.290 nan 0.000 0.551 38 E N 0.937 121.110 120.200 -0.045 0.000 2.478 38 E HA 0.138 4.488 4.350 -0.000 0.000 0.198 38 E C 2.613 179.079 176.600 -0.224 0.000 1.046 38 E CA 1.249 57.526 56.400 -0.205 0.000 0.870 38 E CB -0.503 28.977 29.700 -0.367 0.000 0.818 38 E HN 0.791 nan 8.360 nan 0.000 0.527 39 A N 0.941 123.611 122.820 -0.251 0.000 2.119 39 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 39 A C 1.518 179.263 177.584 0.268 0.000 1.152 39 A CA -0.087 51.876 52.037 -0.124 0.000 0.708 39 A CB -0.271 18.623 19.000 -0.177 0.000 0.805 39 A HN 0.044 nan 8.150 nan 0.000 0.460 40 R N -0.540 120.079 120.500 0.198 0.000 2.538 40 R HA 0.166 4.506 4.340 -0.000 0.000 0.282 40 R C -1.432 174.942 176.300 0.123 0.000 1.009 40 R CA 0.262 56.455 56.100 0.155 0.000 1.063 40 R CB -0.065 30.301 30.300 0.110 0.000 0.945 40 R HN 0.212 nan 8.270 nan 0.000 0.414 41 F N 5.864 125.696 119.950 -0.198 0.000 2.507 41 F HA 0.447 4.974 4.527 -0.000 0.000 0.328 41 F C -1.337 174.329 175.800 -0.222 0.000 1.136 41 F CA -0.692 57.071 58.000 -0.394 0.000 0.930 41 F CB 1.019 39.582 39.000 -0.728 0.000 1.166 41 F HN 0.354 nan 8.300 nan 0.000 0.436 42 L N 6.730 127.841 121.223 -0.187 0.000 2.257 42 L HA 0.532 4.872 4.340 -0.000 0.000 0.257 42 L C -1.794 175.073 176.870 -0.004 0.000 1.033 42 L CA -2.119 52.747 54.840 0.043 0.000 0.835 42 L CB 2.285 44.319 42.059 -0.040 0.000 1.398 42 L HN 0.327 nan 8.230 nan 0.000 0.429 43 P HA -0.183 nan 4.420 nan 0.000 0.218 43 P C 0.819 178.051 177.300 -0.112 0.000 1.146 43 P CA 1.240 64.310 63.100 -0.049 0.000 0.813 43 P CB 0.054 31.713 31.700 -0.067 0.000 0.778 44 K N -0.997 119.323 120.400 -0.133 0.000 2.442 44 K HA -0.100 4.220 4.320 -0.000 0.000 0.198 44 K C 0.841 177.327 176.600 -0.190 0.000 1.042 44 K CA 1.271 57.478 56.287 -0.133 0.000 0.958 44 K CB -0.504 31.935 32.500 -0.101 0.000 0.766 44 K HN 0.123 nan 8.250 nan 0.000 0.474 45 D N 0.990 121.153 120.400 -0.394 0.000 2.339 45 D HA 0.091 4.731 4.640 -0.000 0.000 0.217 45 D C 0.293 176.460 176.300 -0.222 0.000 1.050 45 D CA 0.205 53.890 54.000 -0.525 0.000 0.856 45 D CB 0.236 40.207 40.800 -1.381 0.000 0.922 45 D HN 0.212 nan 8.370 nan 0.000 0.518 46 L N 1.268 122.446 121.223 -0.075 0.000 2.349 46 L HA 0.147 4.487 4.340 -0.000 0.000 0.275 46 L C 0.437 177.357 176.870 0.083 0.000 1.115 46 L CA -0.354 54.575 54.840 0.148 0.000 0.820 46 L CB 0.957 43.061 42.059 0.076 0.000 1.135 46 L HN -0.233 nan 8.230 nan 0.000 0.445 47 D N 4.489 124.934 120.400 0.075 0.000 2.412 47 D HA 0.235 4.875 4.640 -0.000 0.000 0.224 47 D C -1.783 174.471 176.300 -0.078 0.000 1.093 47 D CA -2.136 51.871 54.000 0.013 0.000 0.850 47 D CB 1.788 42.604 40.800 0.027 0.000 1.046 47 D HN 0.155 nan 8.370 nan 0.000 0.507 48 P HA -0.099 nan 4.420 nan 0.000 0.222 48 P C 1.006 178.238 177.300 -0.113 0.000 1.147 48 P CA 0.815 63.840 63.100 -0.125 0.000 0.790 48 P CB 0.199 31.828 31.700 -0.119 0.000 0.780 49 S N -2.005 113.644 115.700 -0.085 0.000 2.517 49 S HA 0.056 4.526 4.470 -0.000 0.000 0.214 49 S C 1.691 176.246 174.600 -0.074 0.000 0.991 49 S CA -0.167 57.990 58.200 -0.072 0.000 0.906 49 S CB -1.159 62.013 63.200 -0.047 0.000 0.789 49 S HN -0.035 nan 8.310 nan 0.000 0.513 50 L N 1.951 123.115 121.223 -0.099 0.000 2.017 50 L HA 0.173 4.513 4.340 -0.000 0.000 0.208 50 L C 0.747 177.560 176.870 -0.095 0.000 1.073 50 L CA 1.159 55.929 54.840 -0.116 0.000 0.745 50 L CB -0.600 41.316 42.059 -0.239 0.000 0.894 50 L HN 0.485 nan 8.230 nan 0.000 0.432 51 c N -2.321 116.218 118.600 -0.101 0.000 2.630 51 c HA 0.505 5.075 4.570 -0.000 0.000 0.346 51 c C 1.893 175.943 174.090 -0.067 0.000 1.245 51 c CA -0.004 56.285 56.329 -0.066 0.000 1.804 51 c CB 1.378 43.853 42.510 -0.058 0.000 2.279 51 c HN 0.550 nan 8.230 nan 0.000 0.498 52 T N -2.295 112.245 114.554 -0.025 0.000 3.044 52 T HA 0.114 4.464 4.350 -0.000 0.000 0.255 52 T C 0.097 174.665 174.700 -0.218 0.000 1.073 52 T CA 0.945 63.005 62.100 -0.066 0.000 1.125 52 T CB -0.208 68.691 68.868 0.051 0.000 0.908 52 T HN 0.773 nan 8.240 nan 0.000 0.480 53 H N -0.114 118.899 119.070 -0.096 0.000 2.667 53 H HA 0.668 5.224 4.556 -0.000 0.000 0.353 53 H C -1.188 174.117 175.328 -0.039 0.000 1.072 53 H CA -0.788 55.227 56.048 -0.054 0.000 1.214 53 H CB 1.535 31.261 29.762 -0.060 0.000 1.600 53 H HN 0.123 nan 8.280 nan 0.000 0.527 54 L N 4.466 125.732 121.223 0.072 0.000 2.313 54 L HA 0.526 4.866 4.340 -0.000 0.000 0.283 54 L C -0.562 176.505 176.870 0.327 0.000 1.013 54 L CA -0.540 54.358 54.840 0.097 0.000 0.816 54 L CB 1.419 43.384 42.059 -0.156 0.000 1.236 54 L HN 0.504 nan 8.230 nan 0.000 0.419 55 I N 2.861 123.568 120.570 0.228 0.000 2.406 55 I HA 0.218 4.388 4.170 -0.000 0.000 0.290 55 I C -1.001 175.277 176.117 0.269 0.000 0.999 55 I CA -0.766 60.638 61.300 0.173 0.000 1.124 55 I CB 1.983 39.765 38.000 -0.363 0.000 1.289 55 I HN 0.444 nan 8.210 nan 0.000 0.441 56 Y N 6.118 126.476 120.300 0.097 0.000 2.452 56 Y HA 0.554 5.104 4.550 -0.000 0.000 0.348 56 Y C 0.130 176.039 175.900 0.015 0.000 0.985 56 Y CA -0.650 57.386 58.100 -0.106 0.000 1.214 56 Y CB 0.817 39.035 38.460 -0.404 0.000 1.136 56 Y HN 0.606 nan 8.280 nan 0.000 0.523 57 A N 6.665 129.443 122.820 -0.069 0.000 2.304 57 A HA 0.759 5.079 4.320 -0.000 0.000 0.323 57 A C -1.656 175.870 177.584 -0.096 0.000 1.195 57 A CA -0.332 51.496 52.037 -0.348 0.000 0.826 57 A CB 0.221 18.641 19.000 -0.966 0.000 1.184 57 A HN 0.627 nan 8.150 nan 0.000 0.496 58 F N 0.500 120.753 119.950 0.504 0.000 2.599 58 F HA 0.692 5.219 4.527 -0.000 0.000 0.311 58 F C 0.532 176.525 175.800 0.321 0.000 1.076 58 F CA -0.367 57.874 58.000 0.401 0.000 0.937 58 F CB 2.202 41.393 39.000 0.318 0.000 1.282 58 F HN 0.757 nan 8.300 nan 0.000 0.460 59 A N 0.565 123.622 122.820 0.395 0.000 2.269 59 A HA 0.880 5.200 4.320 -0.000 0.000 0.319 59 A C 0.114 177.721 177.584 0.039 0.000 1.110 59 A CA 0.137 52.286 52.037 0.186 0.000 0.847 59 A CB 0.644 19.619 19.000 -0.041 0.000 1.161 59 A HN 0.956 nan 8.150 nan 0.000 0.497 60 G N -0.911 107.899 108.800 0.017 0.000 3.119 60 G HA2 0.607 4.567 3.960 -0.000 0.000 0.206 60 G HA3 0.607 4.567 3.960 -0.000 0.000 0.206 60 G C -0.781 174.102 174.900 -0.027 0.000 1.313 60 G CA -0.568 44.521 45.100 -0.018 0.000 1.010 60 G HN 0.786 nan 8.290 nan 0.000 0.578 61 M N 0.089 119.756 119.600 0.113 0.000 2.378 61 M HA 0.550 5.030 4.480 -0.000 0.000 0.289 61 M C -1.724 174.591 176.300 0.025 0.000 1.136 61 M CA -0.376 54.956 55.300 0.054 0.000 0.917 61 M CB 2.405 35.004 32.600 -0.001 0.000 1.669 61 M HN 0.493 nan 8.290 nan 0.000 0.461 62 T N 3.114 117.671 114.554 0.005 0.000 2.971 62 T HA 0.363 4.713 4.350 -0.000 0.000 0.304 62 T C -0.430 174.227 174.700 -0.071 0.000 1.038 62 T CA -0.478 61.600 62.100 -0.036 0.000 1.007 62 T CB 1.065 69.942 68.868 0.014 0.000 1.055 62 T HN 0.855 nan 8.240 nan 0.000 0.451 63 N N 2.734 121.318 118.700 -0.194 0.000 2.714 63 N HA -0.199 4.541 4.740 -0.000 0.000 0.252 63 N C 0.094 175.476 175.510 -0.214 0.000 1.014 63 N CA 1.376 54.255 53.050 -0.285 0.000 0.735 63 N CB -1.493 36.946 38.487 -0.079 0.000 0.924 63 N HN 1.103 nan 8.380 nan 0.000 0.540 64 H N -3.489 115.602 119.070 0.036 0.000 3.047 64 H HA -0.230 4.326 4.556 -0.000 0.000 0.263 64 H C 0.004 175.458 175.328 0.211 0.000 1.168 64 H CA 1.591 57.688 56.048 0.081 0.000 1.152 64 H CB -1.494 28.310 29.762 0.069 0.000 1.278 64 H HN 0.597 nan 8.280 nan 0.000 0.339 65 Q N 0.174 120.100 119.800 0.209 0.000 2.377 65 Q HA 0.489 4.828 4.340 -0.000 0.000 0.271 65 Q C -0.498 175.559 176.000 0.094 0.000 1.077 65 Q CA -1.416 54.486 55.803 0.165 0.000 0.820 65 Q CB 2.439 31.244 28.738 0.112 0.000 1.347 65 Q HN 0.091 nan 8.270 nan 0.000 0.444 66 L N 2.191 123.370 121.223 -0.074 0.000 2.540 66 L HA 0.161 4.501 4.340 -0.000 0.000 0.276 66 L C -0.529 176.166 176.870 -0.292 0.000 1.212 66 L CA 1.096 55.751 54.840 -0.307 0.000 0.893 66 L CB 0.332 41.940 42.059 -0.752 0.000 1.138 66 L HN 0.808 nan 8.230 nan 0.000 0.491 67 S N 1.184 116.780 115.700 -0.173 0.000 2.651 67 S HA 0.767 5.237 4.470 -0.000 0.000 0.279 67 S C -0.274 174.458 174.600 0.220 0.000 1.148 67 S CA -0.348 57.932 58.200 0.135 0.000 0.837 67 S CB 1.232 64.522 63.200 0.149 0.000 1.138 67 S HN 0.797 nan 8.310 nan 0.000 0.478 68 T N -1.275 113.497 114.554 0.364 0.000 2.788 68 T HA 0.535 4.885 4.350 -0.000 0.000 0.287 68 T C 1.076 175.906 174.700 0.217 0.000 1.007 68 T CA 0.292 62.575 62.100 0.305 0.000 1.005 68 T CB 0.722 69.692 68.868 0.171 0.000 1.012 68 T HN 1.146 nan 8.240 nan 0.000 0.530 69 T N -3.319 111.365 114.554 0.217 0.000 2.969 69 T HA 0.298 4.648 4.350 -0.000 0.000 0.258 69 T C 0.104 174.938 174.700 0.223 0.000 0.962 69 T CA -0.389 61.846 62.100 0.224 0.000 0.903 69 T CB 0.335 69.372 68.868 0.281 0.000 1.177 69 T HN 0.547 nan 8.240 nan 0.000 0.511 70 E N 0.988 121.298 120.200 0.183 0.000 2.277 70 E HA 0.256 4.606 4.350 -0.000 0.000 0.266 70 E C 0.554 177.195 176.600 0.068 0.000 0.901 70 E CA -0.913 55.602 56.400 0.190 0.000 0.782 70 E CB 1.148 30.958 29.700 0.183 0.000 1.228 70 E HN 0.393 nan 8.360 nan 0.000 0.424 71 W N 3.493 124.877 121.300 0.139 0.000 2.325 71 W HA -0.190 4.470 4.660 -0.000 0.000 0.299 71 W C 0.554 177.105 176.519 0.054 0.000 1.215 71 W CA 1.569 58.969 57.345 0.091 0.000 1.244 71 W CB -0.618 28.901 29.460 0.098 0.000 1.140 71 W HN 0.400 nan 8.180 nan 0.000 0.523 72 N N 0.491 118.435 118.700 -1.260 0.000 2.251 72 N HA -0.053 4.686 4.740 -0.000 0.000 0.217 72 N C 0.606 175.720 175.510 -0.660 0.000 1.124 72 N CA 0.340 52.674 53.050 -1.194 0.000 0.843 72 N CB -0.819 36.481 38.487 -1.978 0.000 1.024 72 N HN -0.080 nan 8.380 nan 0.000 0.501 73 D N 1.667 121.743 120.400 -0.540 0.000 2.158 73 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 73 D C 1.307 176.948 176.300 -1.098 0.000 0.995 73 D CA 1.111 54.660 54.000 -0.753 0.000 0.846 73 D CB 0.176 40.519 40.800 -0.762 0.000 0.941 73 D HN 0.521 nan 8.370 nan 0.000 0.456 74 E N -0.353 119.419 120.200 -0.712 0.000 2.110 74 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 74 E C 1.950 178.378 176.600 -0.288 0.000 0.988 74 E CA 1.092 57.186 56.400 -0.511 0.000 0.804 74 E CB 0.024 29.626 29.700 -0.164 0.000 0.745 74 E HN 0.235 nan 8.360 nan 0.000 0.458 75 T N 1.431 115.825 114.554 -0.267 0.000 2.812 75 T HA -0.031 4.319 4.350 -0.000 0.000 0.264 75 T C 1.985 176.599 174.700 -0.143 0.000 1.042 75 T CA 0.531 62.534 62.100 -0.161 0.000 1.140 75 T CB -0.073 68.698 68.868 -0.161 0.000 0.870 75 T HN 0.078 nan 8.240 nan 0.000 0.445 76 L N -0.096 121.005 121.223 -0.203 0.000 2.083 76 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 76 L C 2.505 179.404 176.870 0.048 0.000 1.083 76 L CA 1.399 56.207 54.840 -0.052 0.000 0.752 76 L CB -0.726 41.363 42.059 0.050 0.000 0.899 76 L HN 0.262 nan 8.230 nan 0.000 0.433 77 Y N 0.693 120.873 120.300 -0.199 0.000 2.165 77 Y HA -0.261 4.288 4.550 -0.000 0.000 0.286 77 Y C 2.786 178.557 175.900 -0.216 0.000 1.155 77 Y CA 0.894 58.795 58.100 -0.331 0.000 1.164 77 Y CB -0.959 37.200 38.460 -0.502 0.000 0.978 77 Y HN 0.286 nan 8.280 nan 0.000 0.513 78 Q N -0.228 119.592 119.800 0.033 0.000 2.119 78 Q HA -0.177 4.163 4.340 -0.000 0.000 0.201 78 Q C 2.046 178.035 176.000 -0.019 0.000 0.972 78 Q CA 1.453 57.258 55.803 0.003 0.000 0.847 78 Q CB -0.176 28.573 28.738 0.017 0.000 0.903 78 Q HN 0.602 nan 8.270 nan 0.000 0.433 79 E N 0.085 120.282 120.200 -0.004 0.000 2.072 79 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 79 E C 1.652 178.246 176.600 -0.009 0.000 0.985 79 E CA 0.749 57.139 56.400 -0.016 0.000 0.801 79 E CB -0.105 29.585 29.700 -0.017 0.000 0.750 79 E HN 0.219 nan 8.360 nan 0.000 0.452 80 F N 2.455 122.313 119.950 -0.154 0.000 2.051 80 F HA -0.192 4.335 4.527 -0.000 0.000 0.296 80 F C 1.900 177.583 175.800 -0.195 0.000 1.122 80 F CA 1.481 59.369 58.000 -0.186 0.000 1.201 80 F CB -0.097 38.840 39.000 -0.105 0.000 0.978 80 F HN -0.071 nan 8.300 nan 0.000 0.472 81 N N 0.396 119.044 118.700 -0.087 0.000 2.396 81 N HA -0.065 4.675 4.740 -0.000 0.000 0.180 81 N C 2.001 177.401 175.510 -0.185 0.000 1.028 81 N CA 1.069 53.982 53.050 -0.229 0.000 0.893 81 N CB -0.957 37.339 38.487 -0.318 0.000 0.967 81 N HN 0.463 nan 8.380 nan 0.000 0.440 82 G N 0.941 109.661 108.800 -0.134 0.000 2.498 82 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.219 82 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.219 82 G C 1.548 176.370 174.900 -0.130 0.000 1.119 82 G CA 0.103 45.137 45.100 -0.111 0.000 0.766 82 G HN 0.253 nan 8.290 nan 0.000 0.552 83 L N -0.347 120.769 121.223 -0.179 0.000 2.265 83 L HA -0.024 4.316 4.340 -0.000 0.000 0.215 83 L C 2.650 179.419 176.870 -0.168 0.000 1.117 83 L CA 0.853 55.581 54.840 -0.186 0.000 0.782 83 L CB -0.174 41.725 42.059 -0.267 0.000 0.914 83 L HN 0.185 nan 8.230 nan 0.000 0.441 84 K N 0.162 120.459 120.400 -0.172 0.000 2.442 84 K HA -0.121 4.199 4.320 -0.000 0.000 0.198 84 K C 1.779 178.315 176.600 -0.107 0.000 1.042 84 K CA 0.701 56.902 56.287 -0.143 0.000 0.958 84 K CB 0.058 32.473 32.500 -0.141 0.000 0.766 84 K HN 0.304 nan 8.250 nan 0.000 0.474 85 K N -0.012 120.329 120.400 -0.098 0.000 2.366 85 K HA 0.058 4.378 4.320 -0.000 0.000 0.198 85 K C 1.727 178.285 176.600 -0.071 0.000 1.044 85 K CA 0.764 57.005 56.287 -0.076 0.000 0.973 85 K CB 0.193 32.652 32.500 -0.068 0.000 0.767 85 K HN 0.122 nan 8.250 nan 0.000 0.475 86 M N -0.221 119.331 119.600 -0.080 0.000 2.534 86 M HA 0.012 4.492 4.480 -0.000 0.000 0.263 86 M C 0.312 176.568 176.300 -0.073 0.000 1.152 86 M CA 0.450 55.708 55.300 -0.070 0.000 1.145 86 M CB 0.446 33.003 32.600 -0.072 0.000 1.333 86 M HN -0.070 nan 8.290 nan 0.000 0.477 87 N N 0.287 118.934 118.700 -0.089 0.000 2.675 87 N HA 0.233 4.973 4.740 -0.000 0.000 0.254 87 N C -2.537 172.913 175.510 -0.100 0.000 1.224 87 N CA -1.638 51.357 53.050 -0.090 0.000 0.777 87 N CB 1.180 39.607 38.487 -0.101 0.000 1.256 87 N HN -0.210 nan 8.380 nan 0.000 0.531 88 P HA -0.023 nan 4.420 nan 0.000 0.228 88 P C 0.776 178.024 177.300 -0.087 0.000 1.151 88 P CA 0.806 63.857 63.100 -0.081 0.000 0.770 88 P CB 0.442 32.104 31.700 -0.063 0.000 0.786 89 K N -0.991 119.354 120.400 -0.091 0.000 2.365 89 K HA 0.083 4.403 4.320 -0.000 0.000 0.197 89 K C 0.813 177.327 176.600 -0.143 0.000 1.042 89 K CA -0.170 56.058 56.287 -0.099 0.000 0.987 89 K CB -0.686 31.764 32.500 -0.084 0.000 0.779 89 K HN 0.209 nan 8.250 nan 0.000 0.484 90 L N 2.184 123.315 121.223 -0.155 0.000 2.453 90 L HA 0.038 4.378 4.340 -0.000 0.000 0.272 90 L C -0.163 176.580 176.870 -0.212 0.000 1.182 90 L CA 0.536 55.255 54.840 -0.201 0.000 0.858 90 L CB 0.423 42.366 42.059 -0.194 0.000 1.120 90 L HN -0.172 nan 8.230 nan 0.000 0.474 91 K N 3.078 123.304 120.400 -0.290 0.000 2.182 91 K HA 0.534 4.854 4.320 -0.000 0.000 0.262 91 K C -0.585 175.976 176.600 -0.065 0.000 0.957 91 K CA -0.426 55.742 56.287 -0.198 0.000 0.842 91 K CB 1.753 34.060 32.500 -0.323 0.000 1.099 91 K HN 0.799 nan 8.250 nan 0.000 0.438 92 T N -0.025 114.568 114.554 0.065 0.000 2.887 92 T HA 0.756 5.106 4.350 -0.000 0.000 0.288 92 T C -0.309 174.643 174.700 0.421 0.000 1.021 92 T CA -0.853 61.388 62.100 0.234 0.000 1.000 92 T CB 1.168 70.153 68.868 0.195 0.000 1.034 92 T HN 0.219 nan 8.240 nan 0.000 0.467 93 L N 1.582 123.105 121.223 0.499 0.000 2.350 93 L HA 0.744 5.084 4.340 -0.000 0.000 0.260 93 L C -1.138 175.839 176.870 0.178 0.000 1.015 93 L CA -1.054 53.986 54.840 0.333 0.000 0.821 93 L CB 2.132 44.342 42.059 0.252 0.000 1.370 93 L HN 0.721 nan 8.230 nan 0.000 0.416 94 L N 1.636 122.715 121.223 -0.239 0.000 2.313 94 L HA 0.902 5.242 4.340 -0.000 0.000 0.283 94 L C -0.427 176.412 176.870 -0.053 0.000 1.013 94 L CA -0.316 54.233 54.840 -0.484 0.000 0.816 94 L CB 1.344 42.632 42.059 -1.286 0.000 1.236 94 L HN 0.669 nan 8.230 nan 0.000 0.419 95 A N 6.155 129.081 122.820 0.176 0.000 2.301 95 A HA 0.626 4.946 4.320 -0.000 0.000 0.312 95 A C -0.598 177.235 177.584 0.416 0.000 1.182 95 A CA -0.489 51.778 52.037 0.384 0.000 0.826 95 A CB 0.456 19.843 19.000 0.645 0.000 1.134 95 A HN 0.850 nan 8.150 nan 0.000 0.501 96 I N 2.317 123.075 120.570 0.312 0.000 2.441 96 I HA 0.662 4.832 4.170 -0.000 0.000 0.295 96 I C 0.584 176.693 176.117 -0.013 0.000 0.994 96 I CA 1.024 62.393 61.300 0.115 0.000 1.144 96 I CB 1.444 39.485 38.000 0.068 0.000 1.314 96 I HN 1.224 nan 8.210 nan 0.000 0.445 97 G N 4.379 112.841 108.800 -0.564 0.000 2.659 97 G HA2 0.340 4.300 3.960 -0.000 0.000 0.214 97 G HA3 0.340 4.300 3.960 -0.000 0.000 0.214 97 G C 0.135 174.409 174.900 -1.043 0.000 1.191 97 G CA -0.196 44.453 45.100 -0.753 0.000 1.141 97 G HN 1.995 nan 8.290 nan 0.000 0.581 98 G N -2.128 106.189 108.800 -0.805 0.000 2.555 98 G HA2 0.183 4.143 3.960 -0.000 0.000 0.686 98 G HA3 0.183 4.143 3.960 -0.000 0.000 0.686 98 G C 0.666 175.407 174.900 -0.265 0.000 1.275 98 G CA 0.471 45.032 45.100 -0.898 0.000 0.871 98 G HN 2.055 nan 8.290 nan 0.000 0.603 99 W N 0.763 121.877 121.300 -0.309 0.000 2.317 99 W HA -0.154 4.506 4.660 -0.000 0.000 0.318 99 W C 1.784 178.207 176.519 -0.159 0.000 1.227 99 W CA 2.100 59.306 57.345 -0.232 0.000 1.269 99 W CB -0.104 29.235 29.460 -0.201 0.000 1.155 99 W HN 0.559 nan 8.180 nan 0.000 0.484 100 N N 0.413 119.049 118.700 -0.107 0.000 2.512 100 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 100 N C 1.345 176.750 175.510 -0.174 0.000 1.073 100 N CA 1.002 53.929 53.050 -0.205 0.000 0.911 100 N CB -0.998 37.443 38.487 -0.077 0.000 0.964 100 N HN 0.176 nan 8.380 nan 0.000 0.447 101 F N 1.020 120.792 119.950 -0.296 0.000 2.325 101 F HA 0.082 4.609 4.527 -0.000 0.000 0.299 101 F C 1.541 177.192 175.800 -0.248 0.000 1.090 101 F CA 0.958 58.805 58.000 -0.255 0.000 1.392 101 F CB -0.164 38.683 39.000 -0.255 0.000 1.053 101 F HN 0.117 nan 8.300 nan 0.000 0.521 102 G N -0.372 108.300 108.800 -0.214 0.000 2.632 102 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.224 102 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.224 102 G C 0.533 175.378 174.900 -0.092 0.000 1.341 102 G CA 0.359 45.297 45.100 -0.270 0.000 0.880 102 G HN 0.734 nan 8.290 nan 0.000 0.566 103 T N -3.475 111.021 114.554 -0.097 0.000 2.954 103 T HA 0.281 4.631 4.350 -0.000 0.000 0.252 103 T C 1.892 176.529 174.700 -0.104 0.000 0.983 103 T CA 1.358 63.479 62.100 0.036 0.000 0.941 103 T CB 0.325 69.344 68.868 0.251 0.000 1.141 103 T HN 0.919 nan 8.240 nan 0.000 0.500 104 Q N 2.459 122.151 119.800 -0.180 0.000 2.096 104 Q HA -0.108 4.232 4.340 -0.000 0.000 0.208 104 Q C 2.055 177.906 176.000 -0.248 0.000 0.993 104 Q CA 2.064 57.755 55.803 -0.187 0.000 0.862 104 Q CB -0.480 28.136 28.738 -0.203 0.000 0.915 104 Q HN 0.600 nan 8.270 nan 0.000 0.416 105 K N -1.093 119.068 120.400 -0.399 0.000 2.147 105 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 105 K C 1.895 178.239 176.600 -0.426 0.000 1.049 105 K CA 1.271 57.310 56.287 -0.414 0.000 0.936 105 K CB -0.200 31.966 32.500 -0.557 0.000 0.722 105 K HN 0.191 nan 8.250 nan 0.000 0.446 106 F N 0.954 120.589 119.950 -0.524 0.000 2.128 106 F HA -0.143 4.383 4.527 -0.000 0.000 0.295 106 F C 2.588 177.953 175.800 -0.724 0.000 1.100 106 F CA 1.170 58.622 58.000 -0.912 0.000 1.260 106 F CB -0.861 36.912 39.000 -2.045 0.000 1.009 106 F HN -0.056 nan 8.300 nan 0.000 0.476 107 T N -0.606 113.771 114.554 -0.295 0.000 2.665 107 T HA -0.305 4.045 4.350 -0.000 0.000 0.268 107 T C 1.552 176.241 174.700 -0.018 0.000 1.035 107 T CA 2.059 64.158 62.100 -0.002 0.000 1.151 107 T CB -0.587 68.329 68.868 0.080 0.000 0.862 107 T HN 0.268 nan 8.240 nan 0.000 0.438 108 D N 0.151 120.514 120.400 -0.061 0.000 2.117 108 D HA -0.080 4.559 4.640 -0.000 0.000 0.197 108 D C 2.112 178.409 176.300 -0.004 0.000 0.987 108 D CA 0.804 54.793 54.000 -0.019 0.000 0.829 108 D CB -0.174 40.615 40.800 -0.018 0.000 0.961 108 D HN 0.145 nan 8.370 nan 0.000 0.460 109 M N 0.561 120.133 119.600 -0.046 0.000 2.200 109 M HA -0.069 4.411 4.480 -0.000 0.000 0.265 109 M C 1.867 178.127 176.300 -0.067 0.000 1.066 109 M CA 1.187 56.459 55.300 -0.046 0.000 1.127 109 M CB -0.276 32.212 32.600 -0.186 0.000 1.379 109 M HN 0.137 nan 8.290 nan 0.000 0.420 110 V N -1.793 118.098 119.914 -0.037 0.000 3.541 110 V HA 0.215 4.335 4.120 -0.000 0.000 0.267 110 V C 2.202 178.319 176.094 0.040 0.000 1.213 110 V CA 0.937 63.257 62.300 0.034 0.000 1.149 110 V CB -1.768 30.147 31.823 0.154 0.000 0.822 110 V HN 0.370 nan 8.190 nan 0.000 0.462 111 A N 1.479 124.310 122.820 0.017 0.000 2.015 111 A HA 0.116 4.436 4.320 -0.000 0.000 0.219 111 A C 1.520 179.101 177.584 -0.005 0.000 1.163 111 A CA 1.654 53.701 52.037 0.016 0.000 0.646 111 A CB -0.563 18.444 19.000 0.011 0.000 0.806 111 A HN 0.867 nan 8.150 nan 0.000 0.448 112 T N -5.928 108.606 114.554 -0.033 0.000 2.906 112 T HA 0.645 4.995 4.350 -0.000 0.000 0.295 112 T C 0.812 175.490 174.700 -0.038 0.000 1.061 112 T CA -0.027 62.050 62.100 -0.039 0.000 1.000 112 T CB 1.702 70.533 68.868 -0.061 0.000 1.103 112 T HN 0.547 nan 8.240 nan 0.000 0.486 113 A N 2.066 124.872 122.820 -0.023 0.000 1.940 113 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 113 A C 2.250 179.820 177.584 -0.023 0.000 1.176 113 A CA 1.882 53.911 52.037 -0.015 0.000 0.631 113 A CB -1.128 17.867 19.000 -0.008 0.000 0.814 113 A HN 0.961 nan 8.150 nan 0.000 0.446 114 N N 0.051 118.727 118.700 -0.041 0.000 2.142 114 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 114 N C 1.556 177.017 175.510 -0.082 0.000 1.023 114 N CA 1.649 54.670 53.050 -0.048 0.000 0.852 114 N CB -0.377 38.079 38.487 -0.052 0.000 0.998 114 N HN 0.708 nan 8.380 nan 0.000 0.424 115 N N 0.202 118.805 118.700 -0.162 0.000 2.142 115 N HA -0.053 4.687 4.740 -0.000 0.000 0.186 115 N C 1.871 177.355 175.510 -0.044 0.000 1.023 115 N CA 0.646 53.533 53.050 -0.272 0.000 0.852 115 N CB 0.037 38.263 38.487 -0.436 0.000 0.998 115 N HN 0.252 nan 8.380 nan 0.000 0.424 116 R N 1.064 121.561 120.500 -0.005 0.000 2.081 116 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 116 R C 2.289 178.654 176.300 0.108 0.000 1.131 116 R CA 1.142 57.288 56.100 0.077 0.000 0.960 116 R CB -0.289 30.038 30.300 0.044 0.000 0.856 116 R HN 0.394 nan 8.270 nan 0.000 0.436 117 Q N 0.113 119.944 119.800 0.052 0.000 2.084 117 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 117 Q C 1.623 177.660 176.000 0.062 0.000 0.978 117 Q CA 1.950 57.781 55.803 0.046 0.000 0.844 117 Q CB 0.081 28.833 28.738 0.023 0.000 0.898 117 Q HN 0.216 nan 8.270 nan 0.000 0.426 118 T N 0.522 115.118 114.554 0.071 0.000 2.746 118 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 118 T C 1.243 176.018 174.700 0.125 0.000 1.039 118 T CA 1.330 63.486 62.100 0.093 0.000 1.142 118 T CB -0.402 68.532 68.868 0.110 0.000 0.866 118 T HN 0.355 nan 8.240 nan 0.000 0.444 119 F N 1.690 121.664 119.950 0.040 0.000 2.113 119 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 119 F C 2.253 178.077 175.800 0.040 0.000 1.103 119 F CA 0.724 58.748 58.000 0.040 0.000 1.248 119 F CB -0.681 38.336 39.000 0.028 0.000 0.999 119 F HN -0.108 nan 8.300 nan 0.000 0.475 120 V N 1.159 121.074 119.914 0.001 0.000 2.287 120 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 120 V C 2.239 178.296 176.094 -0.062 0.000 1.053 120 V CA 2.264 64.519 62.300 -0.075 0.000 1.027 120 V CB -0.833 30.996 31.823 0.010 0.000 0.646 120 V HN 0.390 nan 8.190 nan 0.000 0.447 121 N N 0.530 119.221 118.700 -0.014 0.000 2.188 121 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 121 N C 2.157 177.664 175.510 -0.005 0.000 1.018 121 N CA 1.765 54.823 53.050 0.012 0.000 0.858 121 N CB -0.378 38.125 38.487 0.027 0.000 0.989 121 N HN 0.662 nan 8.380 nan 0.000 0.426 122 S N 0.575 116.243 115.700 -0.054 0.000 2.383 122 S HA 0.040 4.510 4.470 -0.000 0.000 0.227 122 S C 2.161 176.716 174.600 -0.075 0.000 1.026 122 S CA 0.940 59.118 58.200 -0.037 0.000 0.981 122 S CB -0.285 62.886 63.200 -0.048 0.000 0.818 122 S HN 0.295 nan 8.310 nan 0.000 0.472 123 A N 2.189 124.851 122.820 -0.264 0.000 1.883 123 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 123 A C 2.244 179.851 177.584 0.037 0.000 1.186 123 A CA 1.589 53.502 52.037 -0.206 0.000 0.624 123 A CB -0.935 17.892 19.000 -0.288 0.000 0.822 123 A HN 0.596 nan 8.150 nan 0.000 0.444 124 I N -1.162 119.462 120.570 0.090 0.000 2.163 124 I HA -0.273 3.896 4.170 -0.000 0.000 0.243 124 I C 2.760 178.904 176.117 0.047 0.000 1.085 124 I CA 1.876 63.220 61.300 0.074 0.000 1.347 124 I CB -0.320 37.743 38.000 0.105 0.000 1.044 124 I HN 0.367 nan 8.210 nan 0.000 0.408 125 R N 0.381 120.916 120.500 0.059 0.000 2.081 125 R HA -0.208 4.132 4.340 -0.000 0.000 0.235 125 R C 2.405 178.746 176.300 0.068 0.000 1.131 125 R CA 1.599 57.725 56.100 0.043 0.000 0.960 125 R CB -0.327 29.997 30.300 0.040 0.000 0.856 125 R HN 0.199 nan 8.270 nan 0.000 0.436 126 F N 1.067 121.004 119.950 -0.021 0.000 2.102 126 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 126 F C 1.824 177.682 175.800 0.098 0.000 1.105 126 F CA 1.526 59.556 58.000 0.051 0.000 1.239 126 F CB -0.172 38.867 39.000 0.064 0.000 0.991 126 F HN -0.027 nan 8.300 nan 0.000 0.474 127 L N -0.440 120.989 121.223 0.343 0.000 2.083 127 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 127 L C 2.626 179.585 176.870 0.150 0.000 1.083 127 L CA 0.921 55.926 54.840 0.275 0.000 0.752 127 L CB -0.662 41.450 42.059 0.088 0.000 0.899 127 L HN 0.016 nan 8.230 nan 0.000 0.433 128 R N 0.438 120.956 120.500 0.031 0.000 2.090 128 R HA -0.124 4.216 4.340 -0.000 0.000 0.228 128 R C 2.139 178.377 176.300 -0.103 0.000 1.110 128 R CA 1.035 57.114 56.100 -0.036 0.000 0.973 128 R CB -0.517 29.753 30.300 -0.050 0.000 0.869 128 R HN 0.360 nan 8.270 nan 0.000 0.440 129 K N 0.005 120.286 120.400 -0.199 0.000 2.063 129 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 129 K C 0.977 177.274 176.600 -0.506 0.000 1.048 129 K CA 1.575 57.604 56.287 -0.431 0.000 0.928 129 K CB -0.056 32.009 32.500 -0.726 0.000 0.713 129 K HN 0.142 nan 8.250 nan 0.000 0.442 130 Y N 0.324 120.563 120.300 -0.102 0.000 2.457 130 Y HA 0.240 4.790 4.550 -0.000 0.000 0.263 130 Y C 0.388 176.145 175.900 -0.238 0.000 1.164 130 Y CA -0.012 58.000 58.100 -0.146 0.000 1.274 130 Y CB 0.627 39.000 38.460 -0.145 0.000 1.097 130 Y HN -0.032 nan 8.280 nan 0.000 0.523 131 S N -0.108 115.560 115.700 -0.053 0.000 3.867 131 S HA -0.197 4.273 4.470 -0.000 0.000 0.334 131 S C -0.309 174.207 174.600 -0.140 0.000 1.069 131 S CA -0.034 58.107 58.200 -0.098 0.000 0.977 131 S CB -2.125 61.000 63.200 -0.124 0.000 0.889 131 S HN 0.307 nan 8.310 nan 0.000 0.484 132 F N 1.459 121.410 119.950 0.003 0.000 2.377 132 F HA 0.375 4.902 4.527 -0.000 0.000 0.328 132 F C 1.528 177.317 175.800 -0.019 0.000 1.094 132 F CA -0.691 57.316 58.000 0.013 0.000 1.093 132 F CB 0.610 39.612 39.000 0.002 0.000 1.214 132 F HN 0.014 nan 8.300 nan 0.000 0.518 133 D N 0.891 121.425 120.400 0.223 0.000 2.349 133 D HA 0.266 4.906 4.640 -0.000 0.000 0.214 133 D C 0.689 177.027 176.300 0.063 0.000 1.063 133 D CA 0.454 54.510 54.000 0.093 0.000 0.847 133 D CB 0.708 41.555 40.800 0.078 0.000 0.933 133 D HN 0.642 nan 8.370 nan 0.000 0.513 134 G N 0.319 109.176 108.800 0.095 0.000 2.342 134 G HA2 0.393 4.353 3.960 -0.000 0.000 0.297 134 G HA3 0.393 4.353 3.960 -0.000 0.000 0.297 134 G C -2.327 172.609 174.900 0.060 0.000 1.313 134 G CA -0.779 44.340 45.100 0.031 0.000 0.830 134 G HN 0.044 nan 8.290 nan 0.000 0.506 135 L N 0.362 121.672 121.223 0.145 0.000 2.385 135 L HA 0.814 5.153 4.340 -0.000 0.000 0.273 135 L C -1.424 175.542 176.870 0.160 0.000 0.990 135 L CA -0.632 54.304 54.840 0.161 0.000 0.821 135 L CB 2.193 44.431 42.059 0.298 0.000 1.279 135 L HN 0.586 nan 8.230 nan 0.000 0.412 136 D N 4.081 124.579 120.400 0.163 0.000 2.381 136 D HA 0.383 5.023 4.640 -0.000 0.000 0.235 136 D C -1.106 175.352 176.300 0.262 0.000 1.068 136 D CA -0.106 54.008 54.000 0.191 0.000 0.832 136 D CB 0.978 41.935 40.800 0.263 0.000 1.101 136 D HN 0.531 nan 8.370 nan 0.000 0.515 137 L N 3.515 124.889 121.223 0.250 0.000 2.281 137 L HA 0.312 4.652 4.340 -0.000 0.000 0.285 137 L C 0.043 177.075 176.870 0.271 0.000 1.074 137 L CA -0.270 54.748 54.840 0.297 0.000 0.817 137 L CB 0.985 43.245 42.059 0.335 0.000 1.168 137 L HN 0.435 nan 8.230 nan 0.000 0.434 138 D N 3.170 123.707 120.400 0.228 0.000 2.749 138 D HA 0.063 4.703 4.640 -0.000 0.000 0.338 138 D C -0.829 175.456 176.300 -0.024 0.000 1.236 138 D CA -0.441 53.638 54.000 0.131 0.000 0.845 138 D CB 0.323 41.253 40.800 0.217 0.000 1.080 138 D HN 0.268 nan 8.370 nan 0.000 0.497 139 W N 2.399 123.415 121.300 -0.475 0.000 2.419 139 W HA 0.322 4.982 4.660 -0.000 0.000 0.312 139 W C -0.679 175.501 176.519 -0.565 0.000 1.323 139 W CA -0.604 56.220 57.345 -0.868 0.000 1.293 139 W CB 0.288 28.977 29.460 -1.285 0.000 1.324 139 W HN 0.190 nan 8.180 nan 0.000 0.512 140 E N 6.904 127.021 120.200 -0.138 0.000 2.346 140 E HA 0.215 4.564 4.350 -0.000 0.000 0.239 140 E C -1.520 174.814 176.600 -0.443 0.000 0.943 140 E CA -0.425 55.380 56.400 -0.992 0.000 0.751 140 E CB 0.955 30.037 29.700 -1.029 0.000 1.241 140 E HN 0.281 nan 8.360 nan 0.000 0.423 141 Y N 0.766 121.116 120.300 0.084 0.000 2.597 141 Y HA 0.305 4.855 4.550 -0.000 0.000 0.340 141 Y C -2.411 173.103 175.900 -0.643 0.000 1.097 141 Y CA -2.611 55.346 58.100 -0.238 0.000 1.037 141 Y CB 1.721 40.153 38.460 -0.046 0.000 1.305 141 Y HN 0.262 nan 8.280 nan 0.000 0.463 142 P HA 0.159 nan 4.420 nan 0.000 0.271 142 P C 0.604 177.554 177.300 -0.583 0.000 1.216 142 P CA 1.082 63.361 63.100 -1.368 0.000 0.776 142 P CB 1.095 31.590 31.700 -2.008 0.000 0.881 143 G N 1.457 110.080 108.800 -0.295 0.000 2.179 143 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.260 143 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.260 143 G C 0.167 175.021 174.900 -0.077 0.000 0.977 143 G CA 0.485 45.483 45.100 -0.171 0.000 0.641 143 G HN 0.971 nan 8.290 nan 0.000 0.533 144 S N -2.476 113.227 115.700 0.004 0.000 2.752 144 S HA 0.616 5.086 4.470 -0.000 0.000 0.284 144 S C 0.030 174.711 174.600 0.135 0.000 1.189 144 S CA 0.533 58.786 58.200 0.089 0.000 0.835 144 S CB 1.358 64.677 63.200 0.199 0.000 1.192 144 S HN 1.057 nan 8.310 nan 0.000 0.506 145 Q N -0.268 119.621 119.800 0.149 0.000 2.457 145 Q HA -0.200 4.140 4.340 -0.000 0.000 0.283 145 Q C 1.104 177.119 176.000 0.025 0.000 1.234 145 Q CA 1.732 57.577 55.803 0.069 0.000 0.877 145 Q CB -2.260 26.498 28.738 0.033 0.000 1.250 145 Q HN 2.172 nan 8.270 nan 0.000 0.481 146 G N -1.263 107.556 108.800 0.032 0.000 2.213 146 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.236 146 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.236 146 G C 0.098 175.023 174.900 0.043 0.000 0.991 146 G CA 0.600 45.710 45.100 0.017 0.000 0.629 146 G HN 0.970 nan 8.290 nan 0.000 0.517 147 S N 2.889 118.641 115.700 0.086 0.000 2.523 147 S HA 0.623 5.093 4.470 -0.000 0.000 0.275 147 S C -1.396 173.239 174.600 0.059 0.000 1.281 147 S CA -0.544 57.734 58.200 0.129 0.000 1.050 147 S CB 1.434 64.783 63.200 0.248 0.000 0.937 147 S HN 0.372 nan 8.310 nan 0.000 0.492 148 P HA 0.144 nan 4.420 nan 0.000 0.270 148 P C 0.512 177.805 177.300 -0.012 0.000 1.223 148 P CA -0.149 62.962 63.100 0.018 0.000 0.785 148 P CB 0.566 32.282 31.700 0.028 0.000 0.923 149 A N 2.175 124.977 122.820 -0.030 0.000 2.019 149 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 149 A C 2.149 179.701 177.584 -0.053 0.000 1.164 149 A CA 1.592 53.596 52.037 -0.056 0.000 0.644 149 A CB -1.484 17.486 19.000 -0.050 0.000 0.805 149 A HN 0.436 nan 8.150 nan 0.000 0.449 150 V N 0.193 120.093 119.914 -0.023 0.000 2.913 150 V HA -0.155 3.965 4.120 -0.000 0.000 0.260 150 V C 1.500 177.591 176.094 -0.006 0.000 1.098 150 V CA 2.211 64.504 62.300 -0.011 0.000 1.121 150 V CB -0.667 31.162 31.823 0.009 0.000 0.714 150 V HN 0.503 nan 8.190 nan 0.000 0.487 151 D N -0.038 120.357 120.400 -0.009 0.000 2.309 151 D HA -0.161 4.479 4.640 -0.000 0.000 0.212 151 D C 2.026 178.236 176.300 -0.149 0.000 0.968 151 D CA 0.978 54.974 54.000 -0.006 0.000 0.882 151 D CB -0.057 40.758 40.800 0.026 0.000 0.918 151 D HN 0.528 nan 8.370 nan 0.000 0.503 152 K N 0.954 121.248 120.400 -0.177 0.000 2.026 152 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 152 K C 1.657 178.214 176.600 -0.071 0.000 1.048 152 K CA 1.183 57.346 56.287 -0.207 0.000 0.929 152 K CB 0.165 32.567 32.500 -0.164 0.000 0.713 152 K HN 0.094 nan 8.250 nan 0.000 0.439 153 E N -0.202 119.979 120.200 -0.032 0.000 2.158 153 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 153 E C 2.120 178.738 176.600 0.031 0.000 0.982 153 E CA 0.546 56.947 56.400 0.002 0.000 0.823 153 E CB 0.129 29.828 29.700 -0.002 0.000 0.766 153 E HN 0.271 nan 8.360 nan 0.000 0.468 154 R N -0.090 120.446 120.500 0.059 0.000 2.148 154 R HA -0.063 4.277 4.340 -0.000 0.000 0.223 154 R C 2.049 178.448 176.300 0.164 0.000 1.088 154 R CA 0.619 56.785 56.100 0.110 0.000 0.985 154 R CB -0.157 30.238 30.300 0.159 0.000 0.880 154 R HN 0.132 nan 8.270 nan 0.000 0.451 155 F N 1.436 121.368 119.950 -0.031 0.000 2.146 155 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 155 F C 1.992 177.789 175.800 -0.005 0.000 1.096 155 F CA 1.476 59.449 58.000 -0.044 0.000 1.275 155 F CB -0.366 38.415 39.000 -0.364 0.000 1.008 155 F HN -0.159 nan 8.300 nan 0.000 0.480 156 T N -0.505 114.023 114.554 -0.042 0.000 2.708 156 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 156 T C 1.891 176.522 174.700 -0.115 0.000 1.037 156 T CA 2.138 64.178 62.100 -0.100 0.000 1.146 156 T CB -0.664 68.200 68.868 -0.007 0.000 0.865 156 T HN 0.287 nan 8.240 nan 0.000 0.435 157 T N 2.318 116.840 114.554 -0.054 0.000 2.788 157 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 157 T C 1.888 176.551 174.700 -0.062 0.000 1.044 157 T CA 0.861 62.937 62.100 -0.039 0.000 1.139 157 T CB -0.438 68.429 68.868 -0.002 0.000 0.867 157 T HN 0.143 nan 8.240 nan 0.000 0.454 158 L N 1.314 122.494 121.223 -0.073 0.000 2.017 158 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 158 L C 2.418 179.193 176.870 -0.159 0.000 1.073 158 L CA 1.509 56.307 54.840 -0.070 0.000 0.745 158 L CB -0.763 41.290 42.059 -0.010 0.000 0.894 158 L HN 0.059 nan 8.230 nan 0.000 0.432 159 V N -0.172 119.560 119.914 -0.303 0.000 2.343 159 V HA -0.337 3.783 4.120 -0.000 0.000 0.247 159 V C 2.588 178.573 176.094 -0.182 0.000 1.051 159 V CA 2.174 64.300 62.300 -0.289 0.000 1.036 159 V CB -0.714 30.886 31.823 -0.371 0.000 0.654 159 V HN 0.588 nan 8.190 nan 0.000 0.451 160 Q N -0.618 119.099 119.800 -0.138 0.000 2.079 160 Q HA -0.216 4.124 4.340 -0.000 0.000 0.200 160 Q C 2.076 178.018 176.000 -0.096 0.000 0.974 160 Q CA 1.687 57.435 55.803 -0.092 0.000 0.840 160 Q CB -0.278 28.425 28.738 -0.059 0.000 0.898 160 Q HN 0.598 nan 8.270 nan 0.000 0.430 161 D N 0.829 121.174 120.400 -0.092 0.000 2.097 161 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 161 D C 1.967 178.174 176.300 -0.155 0.000 0.989 161 D CA 0.977 54.928 54.000 -0.082 0.000 0.827 161 D CB -0.170 40.605 40.800 -0.041 0.000 0.966 161 D HN 0.165 nan 8.370 nan 0.000 0.456 162 L N 0.618 121.695 121.223 -0.243 0.000 2.017 162 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 162 L C 2.554 179.030 176.870 -0.656 0.000 1.073 162 L CA 1.264 55.771 54.840 -0.556 0.000 0.745 162 L CB -0.432 41.289 42.059 -0.563 0.000 0.894 162 L HN -0.026 nan 8.230 nan 0.000 0.432 163 A N 0.252 122.867 122.820 -0.342 0.000 1.908 163 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 163 A C 2.012 179.564 177.584 -0.053 0.000 1.181 163 A CA 2.336 54.284 52.037 -0.148 0.000 0.627 163 A CB -0.935 18.025 19.000 -0.067 0.000 0.818 163 A HN 0.562 nan 8.150 nan 0.000 0.445 164 N N -0.059 118.602 118.700 -0.065 0.000 2.084 164 N HA -0.080 4.659 4.740 -0.000 0.000 0.190 164 N C 2.004 177.524 175.510 0.017 0.000 1.030 164 N CA 1.035 54.078 53.050 -0.012 0.000 0.849 164 N CB -0.259 38.217 38.487 -0.020 0.000 1.012 164 N HN 0.501 nan 8.380 nan 0.000 0.423 165 A N 1.002 123.811 122.820 -0.018 0.000 1.930 165 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 165 A C 1.685 179.399 177.584 0.217 0.000 1.175 165 A CA 1.055 53.126 52.037 0.056 0.000 0.627 165 A CB -0.583 18.427 19.000 0.017 0.000 0.815 165 A HN 0.174 nan 8.150 nan 0.000 0.443 166 F N -0.042 119.917 119.950 0.016 0.000 2.146 166 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 166 F C 2.546 178.359 175.800 0.021 0.000 1.096 166 F CA 1.091 59.102 58.000 0.019 0.000 1.275 166 F CB -1.223 37.791 39.000 0.023 0.000 1.008 166 F HN 0.429 nan 8.300 nan 0.000 0.480 167 Q N 0.245 120.178 119.800 0.221 0.000 2.050 167 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 167 Q C 2.126 178.182 176.000 0.094 0.000 0.980 167 Q CA 1.982 57.862 55.803 0.128 0.000 0.840 167 Q CB -0.102 28.690 28.738 0.090 0.000 0.898 167 Q HN 0.465 nan 8.270 nan 0.000 0.424 168 Q N -0.147 119.705 119.800 0.088 0.000 2.119 168 Q HA -0.182 4.158 4.340 -0.000 0.000 0.201 168 Q C 2.005 178.042 176.000 0.063 0.000 0.972 168 Q CA 1.118 56.959 55.803 0.064 0.000 0.847 168 Q CB -0.165 28.605 28.738 0.054 0.000 0.903 168 Q HN 0.423 nan 8.270 nan 0.000 0.433 169 E N 1.131 121.382 120.200 0.085 0.000 2.150 169 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 169 E C 1.808 178.430 176.600 0.037 0.000 0.985 169 E CA 1.042 57.480 56.400 0.062 0.000 0.814 169 E CB 0.062 29.811 29.700 0.081 0.000 0.752 169 E HN 0.297 nan 8.360 nan 0.000 0.466 170 A N 0.882 123.727 122.820 0.041 0.000 1.930 170 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 170 A C 2.129 179.726 177.584 0.021 0.000 1.175 170 A CA 1.427 53.478 52.037 0.022 0.000 0.627 170 A CB -0.402 18.616 19.000 0.030 0.000 0.815 170 A HN 0.302 nan 8.150 nan 0.000 0.443 171 Q N -0.667 119.151 119.800 0.030 0.000 2.123 171 Q HA -0.116 4.224 4.340 -0.000 0.000 0.199 171 Q C 2.299 178.310 176.000 0.018 0.000 0.966 171 Q CA 1.936 57.753 55.803 0.024 0.000 0.845 171 Q CB -0.367 28.387 28.738 0.028 0.000 0.907 171 Q HN 0.872 nan 8.270 nan 0.000 0.439 172 T N -2.044 112.522 114.554 0.020 0.000 2.942 172 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 172 T C 2.015 176.720 174.700 0.008 0.000 1.062 172 T CA 1.092 63.200 62.100 0.015 0.000 1.139 172 T CB -0.105 68.773 68.868 0.018 0.000 0.883 172 T HN 0.257 nan 8.240 nan 0.000 0.468 173 S N 0.338 116.042 115.700 0.006 0.000 2.486 173 S HA 0.430 4.900 4.470 -0.000 0.000 0.220 173 S C 2.052 176.650 174.600 -0.005 0.000 1.011 173 S CA 0.571 58.770 58.200 -0.002 0.000 0.921 173 S CB -0.573 62.623 63.200 -0.007 0.000 0.785 173 S HN 1.267 nan 8.310 nan 0.000 0.517 174 G N 1.290 110.089 108.800 -0.001 0.000 2.162 174 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 174 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 174 G C -0.002 174.895 174.900 -0.006 0.000 0.976 174 G CA 0.513 45.612 45.100 -0.002 0.000 0.655 174 G HN 0.614 nan 8.290 nan 0.000 0.533 175 K N 0.248 120.642 120.400 -0.010 0.000 2.109 175 K HA 0.461 4.781 4.320 -0.000 0.000 0.243 175 K C 0.407 176.999 176.600 -0.013 0.000 1.006 175 K CA -0.779 55.498 56.287 -0.017 0.000 0.917 175 K CB 1.097 33.581 32.500 -0.027 0.000 1.081 175 K HN 0.266 nan 8.250 nan 0.000 0.468 176 E N 1.860 122.050 120.200 -0.016 0.000 2.414 176 E HA -0.068 4.282 4.350 -0.000 0.000 0.263 176 E C -0.112 176.480 176.600 -0.015 0.000 1.000 176 E CA 0.175 56.570 56.400 -0.009 0.000 0.914 176 E CB 0.693 30.387 29.700 -0.009 0.000 0.948 176 E HN 0.243 nan 8.360 nan 0.000 0.444 177 R N 3.266 123.769 120.500 0.005 0.000 2.522 177 R HA -0.031 4.309 4.340 -0.000 0.000 0.284 177 R C -0.381 175.901 176.300 -0.031 0.000 1.032 177 R CA -0.676 55.428 56.100 0.006 0.000 1.049 177 R CB 0.285 30.618 30.300 0.054 0.000 0.956 177 R HN 0.261 nan 8.270 nan 0.000 0.422 178 L N 5.516 126.646 121.223 -0.155 0.000 2.490 178 L HA 0.088 4.428 4.340 -0.000 0.000 0.274 178 L C 0.203 177.008 176.870 -0.109 0.000 1.201 178 L CA 0.502 55.142 54.840 -0.333 0.000 0.869 178 L CB 0.431 41.862 42.059 -1.047 0.000 1.123 178 L HN 0.588 nan 8.230 nan 0.000 0.484 179 L N 4.106 125.335 121.223 0.010 0.000 2.399 179 L HA 0.438 4.778 4.340 -0.000 0.000 0.266 179 L C -0.394 176.617 176.870 0.234 0.000 1.114 179 L CA -0.638 54.298 54.840 0.160 0.000 0.804 179 L CB 1.130 43.319 42.059 0.218 0.000 1.146 179 L HN 0.377 nan 8.230 nan 0.000 0.451 180 L N 1.988 123.318 121.223 0.178 0.000 2.406 180 L HA 0.552 4.892 4.340 -0.000 0.000 0.272 180 L C -0.311 176.475 176.870 -0.141 0.000 0.980 180 L CA 0.204 55.119 54.840 0.124 0.000 0.831 180 L CB 1.712 43.849 42.059 0.129 0.000 1.253 180 L HN 0.739 nan 8.230 nan 0.000 0.406 181 S N 3.406 118.969 115.700 -0.229 0.000 2.704 181 S HA 1.042 5.512 4.470 -0.000 0.000 0.296 181 S C -0.747 173.796 174.600 -0.095 0.000 1.138 181 S CA -0.298 57.642 58.200 -0.433 0.000 0.875 181 S CB 1.947 64.504 63.200 -1.071 0.000 1.151 181 S HN 1.167 nan 8.310 nan 0.000 0.500 182 A N 0.040 122.841 122.820 -0.032 0.000 2.488 182 A HA 0.861 5.181 4.320 -0.000 0.000 0.298 182 A C -0.472 177.171 177.584 0.098 0.000 1.044 182 A CA -0.498 51.618 52.037 0.133 0.000 0.693 182 A CB 1.157 20.318 19.000 0.270 0.000 1.272 182 A HN 1.731 nan 8.150 nan 0.000 0.402 183 A N 1.215 124.125 122.820 0.148 0.000 2.301 183 A HA 0.676 4.996 4.320 -0.000 0.000 0.298 183 A C 0.198 177.765 177.584 -0.027 0.000 1.185 183 A CA 0.089 52.172 52.037 0.077 0.000 0.830 183 A CB 0.074 19.152 19.000 0.130 0.000 1.112 183 A HN 2.194 nan 8.150 nan 0.000 0.508 184 V N 0.307 120.083 119.914 -0.230 0.000 2.914 184 V HA 0.835 4.955 4.120 -0.000 0.000 0.314 184 V C -2.848 173.040 176.094 -0.344 0.000 1.084 184 V CA -2.528 59.542 62.300 -0.384 0.000 0.963 184 V CB 2.007 33.271 31.823 -0.931 0.000 1.025 184 V HN 0.746 nan 8.190 nan 0.000 0.432 185 P HA 0.338 nan 4.420 nan 0.000 0.274 185 P C 0.195 177.436 177.300 -0.098 0.000 1.237 185 P CA 0.050 62.989 63.100 -0.269 0.000 0.793 185 P CB 1.938 33.293 31.700 -0.575 0.000 0.977 186 A N 2.303 125.026 122.820 -0.161 0.000 2.115 186 A HA 0.264 4.584 4.320 -0.000 0.000 0.211 186 A C 1.438 179.100 177.584 0.130 0.000 1.169 186 A CA 0.659 52.712 52.037 0.027 0.000 0.787 186 A CB -0.944 17.978 19.000 -0.129 0.000 0.858 186 A HN 0.638 nan 8.150 nan 0.000 0.474 187 G N 0.791 109.611 108.800 0.034 0.000 2.298 187 G HA2 0.290 4.250 3.960 -0.000 0.000 0.263 187 G HA3 0.290 4.250 3.960 -0.000 0.000 0.263 187 G C 0.774 175.766 174.900 0.154 0.000 1.229 187 G CA 0.360 45.553 45.100 0.156 0.000 0.976 187 G HN 0.670 nan 8.290 nan 0.000 0.459 188 Q N 2.131 121.991 119.800 0.101 0.000 2.133 188 Q HA -0.220 4.120 4.340 -0.000 0.000 0.208 188 Q C 1.902 177.879 176.000 -0.039 0.000 0.991 188 Q CA 2.061 57.872 55.803 0.013 0.000 0.867 188 Q CB -0.673 28.069 28.738 0.006 0.000 0.911 188 Q HN 0.429 nan 8.270 nan 0.000 0.417 189 T N 0.237 114.757 114.554 -0.056 0.000 2.788 189 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 189 T C 1.139 175.622 174.700 -0.362 0.000 1.044 189 T CA 1.543 63.504 62.100 -0.232 0.000 1.139 189 T CB -0.308 68.353 68.868 -0.346 0.000 0.867 189 T HN 0.428 nan 8.240 nan 0.000 0.454 190 Y N 0.597 120.834 120.300 -0.106 0.000 2.337 190 Y HA 0.026 4.576 4.550 0.000 0.000 0.293 190 Y C 2.504 178.388 175.900 -0.026 0.000 1.123 190 Y CA 0.044 58.062 58.100 -0.137 0.000 1.201 190 Y CB -0.700 37.554 38.460 -0.344 0.000 1.011 190 Y HN -0.004 nan 8.280 nan 0.000 0.545 191 V N 0.186 120.139 119.914 0.066 0.000 2.261 191 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 191 V C 1.827 177.923 176.094 0.003 0.000 1.047 191 V CA 2.141 64.447 62.300 0.010 0.000 1.015 191 V CB -0.511 31.156 31.823 -0.261 0.000 0.642 191 V HN 0.368 nan 8.190 nan 0.000 0.446 192 D N 0.416 120.764 120.400 -0.087 0.000 2.178 192 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 192 D C 2.143 178.388 176.300 -0.092 0.000 0.980 192 D CA 1.629 55.569 54.000 -0.100 0.000 0.842 192 D CB -0.145 40.588 40.800 -0.111 0.000 0.948 192 D HN 0.472 nan 8.370 nan 0.000 0.472 193 A N 0.193 122.949 122.820 -0.107 0.000 2.016 193 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 193 A C 2.122 179.600 177.584 -0.177 0.000 1.162 193 A CA 1.639 53.593 52.037 -0.138 0.000 0.662 193 A CB -0.112 18.780 19.000 -0.180 0.000 0.812 193 A HN 0.306 nan 8.150 nan 0.000 0.450 194 G N -2.759 105.920 108.800 -0.203 0.000 3.342 194 G HA2 0.428 4.388 3.960 -0.000 0.000 0.252 194 G HA3 0.428 4.388 3.960 -0.000 0.000 0.252 194 G C -0.330 174.086 174.900 -0.807 0.000 1.011 194 G CA -0.089 44.669 45.100 -0.570 0.000 0.869 194 G HN 0.286 nan 8.290 nan 0.000 0.514 195 Y N 0.904 121.124 120.300 -0.134 0.000 2.338 195 Y HA 0.445 4.995 4.550 -0.000 0.000 0.333 195 Y C -0.142 175.725 175.900 -0.056 0.000 0.968 195 Y CA -1.399 56.675 58.100 -0.042 0.000 1.123 195 Y CB 1.553 40.021 38.460 0.013 0.000 1.165 195 Y HN -0.014 nan 8.280 nan 0.000 0.452 196 E N 3.185 123.462 120.200 0.129 0.000 1.856 196 E HA 0.132 4.482 4.350 -0.000 0.000 0.263 196 E C 0.603 177.268 176.600 0.108 0.000 1.137 196 E CA -0.106 56.333 56.400 0.065 0.000 1.007 196 E CB 0.686 30.416 29.700 0.049 0.000 1.117 196 E HN 0.610 nan 8.360 nan 0.000 0.438 197 V N 2.157 122.099 119.914 0.048 0.000 2.250 197 V HA -0.355 3.764 4.120 -0.000 0.000 0.253 197 V C 2.044 178.203 176.094 0.109 0.000 1.065 197 V CA 2.402 64.735 62.300 0.056 0.000 1.039 197 V CB -0.349 31.353 31.823 -0.202 0.000 0.647 197 V HN 0.606 nan 8.190 nan 0.000 0.446 198 D N -0.289 120.141 120.400 0.051 0.000 2.123 198 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 198 D C 2.226 178.567 176.300 0.068 0.000 0.992 198 D CA 1.592 55.626 54.000 0.056 0.000 0.833 198 D CB -0.137 40.679 40.800 0.027 0.000 0.954 198 D HN 0.431 nan 8.370 nan 0.000 0.455 199 K N -0.059 120.379 120.400 0.064 0.000 2.001 199 K HA -0.070 4.250 4.320 -0.000 0.000 0.208 199 K C 2.441 179.082 176.600 0.068 0.000 1.048 199 K CA 1.497 57.817 56.287 0.054 0.000 0.932 199 K CB -0.392 32.131 32.500 0.040 0.000 0.715 199 K HN 0.396 nan 8.250 nan 0.000 0.437 200 I N -1.386 119.250 120.570 0.111 0.000 2.286 200 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 200 I C 2.348 178.540 176.117 0.125 0.000 1.115 200 I CA 1.390 62.760 61.300 0.116 0.000 1.392 200 I CB -0.581 37.562 38.000 0.238 0.000 1.065 200 I HN -0.079 nan 8.210 nan 0.000 0.418 201 A N 0.958 123.874 122.820 0.160 0.000 1.978 201 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 201 A C 2.315 179.959 177.584 0.099 0.000 1.170 201 A CA 1.507 53.633 52.037 0.148 0.000 0.636 201 A CB -0.553 18.548 19.000 0.168 0.000 0.810 201 A HN 0.589 nan 8.150 nan 0.000 0.448 202 Q N -0.188 119.659 119.800 0.078 0.000 2.230 202 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 202 Q C 0.982 177.010 176.000 0.048 0.000 0.963 202 Q CA 1.031 56.869 55.803 0.058 0.000 0.866 202 Q CB -0.239 28.526 28.738 0.045 0.000 0.931 202 Q HN 0.714 nan 8.270 nan 0.000 0.452 203 N N -0.376 118.346 118.700 0.037 0.000 2.254 203 N HA 0.126 4.866 4.740 -0.000 0.000 0.190 203 N C 0.141 175.662 175.510 0.018 0.000 1.107 203 N CA 0.061 53.122 53.050 0.018 0.000 0.869 203 N CB 1.015 39.492 38.487 -0.016 0.000 0.983 203 N HN 0.160 nan 8.380 nan 0.000 0.487 204 L N 1.160 122.402 121.223 0.031 0.000 2.334 204 L HA 0.185 4.525 4.340 -0.000 0.000 0.277 204 L C 1.224 178.118 176.870 0.039 0.000 1.075 204 L CA -0.416 54.432 54.840 0.013 0.000 0.804 204 L CB 1.174 43.244 42.059 0.018 0.000 1.174 204 L HN -0.131 nan 8.230 nan 0.000 0.438 205 D N 2.014 122.423 120.400 0.015 0.000 2.149 205 D HA -0.018 4.622 4.640 -0.000 0.000 0.201 205 D C -0.193 176.261 176.300 0.256 0.000 0.972 205 D CA 1.545 55.624 54.000 0.131 0.000 0.835 205 D CB 0.311 41.220 40.800 0.181 0.000 0.966 205 D HN 0.328 nan 8.370 nan 0.000 0.476 206 F N -2.060 117.912 119.950 0.037 0.000 2.693 206 F HA 0.487 5.014 4.527 -0.000 0.000 0.309 206 F C -1.378 174.429 175.800 0.011 0.000 1.129 206 F CA -1.424 56.578 58.000 0.005 0.000 0.948 206 F CB 1.125 40.093 39.000 -0.054 0.000 1.315 206 F HN -0.426 nan 8.300 nan 0.000 0.447 207 V N 2.469 122.480 119.914 0.162 0.000 2.378 207 V HA 0.368 4.488 4.120 -0.000 0.000 0.288 207 V C -0.864 175.241 176.094 0.018 0.000 1.016 207 V CA -0.836 61.463 62.300 -0.002 0.000 0.840 207 V CB 1.447 33.208 31.823 -0.104 0.000 0.994 207 V HN 0.727 nan 8.190 nan 0.000 0.431 208 N N 4.492 123.211 118.700 0.033 0.000 2.521 208 N HA 0.237 4.977 4.740 -0.000 0.000 0.236 208 N C -0.533 174.903 175.510 -0.122 0.000 1.067 208 N CA -0.428 52.673 53.050 0.086 0.000 0.939 208 N CB 1.660 40.327 38.487 0.300 0.000 1.201 208 N HN 0.545 nan 8.380 nan 0.000 0.511 209 L N 2.905 123.994 121.223 -0.224 0.000 2.369 209 L HA 0.211 4.551 4.340 -0.000 0.000 0.279 209 L C 0.429 177.082 176.870 -0.362 0.000 1.108 209 L CA 0.254 54.856 54.840 -0.397 0.000 0.852 209 L CB 0.202 42.036 42.059 -0.375 0.000 1.169 209 L HN 0.398 nan 8.230 nan 0.000 0.452 210 M N 6.406 125.715 119.600 -0.485 0.000 3.237 210 M HA 0.220 4.699 4.480 -0.000 0.000 0.266 210 M C 0.643 176.314 176.300 -1.049 0.000 1.456 210 M CA -0.046 54.723 55.300 -0.886 0.000 1.593 210 M CB 0.067 32.274 32.600 -0.654 0.000 1.129 210 M HN 0.784 nan 8.290 nan 0.000 0.547 211 A N 3.733 126.074 122.820 -0.798 0.000 3.118 211 A HA 0.428 4.748 4.320 -0.000 0.000 0.256 211 A C -0.746 176.664 177.584 -0.290 0.000 1.667 211 A CA -0.201 51.605 52.037 -0.387 0.000 1.338 211 A CB -0.871 18.133 19.000 0.006 0.000 1.127 211 A HN 0.749 nan 8.150 nan 0.000 0.634 212 Y N -4.164 115.878 120.300 -0.430 0.000 2.871 212 Y HA 0.515 5.065 4.550 0.000 0.000 0.331 212 Y C -0.226 175.435 175.900 -0.398 0.000 1.378 212 Y CA -1.748 56.205 58.100 -0.245 0.000 1.079 212 Y CB 0.195 38.623 38.460 -0.053 0.000 1.441 212 Y HN 0.202 nan 8.280 nan 0.000 0.446 213 D N -0.485 120.045 120.400 0.216 0.000 2.945 213 D HA -0.199 4.441 4.640 -0.000 0.000 0.225 213 D C 0.411 176.794 176.300 0.140 0.000 1.158 213 D CA 1.105 55.243 54.000 0.230 0.000 0.805 213 D CB -1.376 39.477 40.800 0.087 0.000 1.098 213 D HN 0.538 nan 8.370 nan 0.000 0.426 214 F N 0.108 120.167 119.950 0.181 0.000 2.186 214 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 214 F C 1.690 177.370 175.800 -0.201 0.000 1.090 214 F CA 1.162 59.143 58.000 -0.032 0.000 1.307 214 F CB 0.166 39.107 39.000 -0.097 0.000 1.019 214 F HN 0.152 nan 8.300 nan 0.000 0.489 215 H N -1.809 117.515 119.070 0.424 0.000 2.928 215 H HA 0.669 5.225 4.556 -0.000 0.000 0.371 215 H C 0.121 175.303 175.328 -0.243 0.000 1.186 215 H CA -0.409 55.732 56.048 0.154 0.000 1.134 215 H CB 1.561 31.411 29.762 0.148 0.000 1.824 215 H HN 0.061 nan 8.280 nan 0.000 0.554 216 G N -0.607 107.645 108.800 -0.915 0.000 2.488 216 G HA2 0.193 4.153 3.960 -0.000 0.000 0.301 216 G HA3 0.193 4.153 3.960 -0.000 0.000 0.301 216 G C 0.299 174.377 174.900 -1.370 0.000 1.339 216 G CA -0.069 44.136 45.100 -1.492 0.000 0.803 216 G HN 0.479 nan 8.290 nan 0.000 0.482 217 S N -1.309 113.712 115.700 -1.132 0.000 2.584 217 S HA -0.091 4.379 4.470 -0.000 0.000 0.240 217 S C 1.565 176.051 174.600 -0.190 0.000 0.975 217 S CA 1.603 59.401 58.200 -0.669 0.000 0.949 217 S CB -0.673 62.240 63.200 -0.478 0.000 0.761 217 S HN 0.942 nan 8.310 nan 0.000 0.536 218 W N 1.164 122.469 121.300 0.007 0.000 3.047 218 W HA 0.486 5.146 4.660 -0.000 0.000 0.250 218 W C 0.307 176.882 176.519 0.093 0.000 1.314 218 W CA -0.757 56.617 57.345 0.048 0.000 1.540 218 W CB -0.434 29.051 29.460 0.042 0.000 1.127 218 W HN 0.147 nan 8.180 nan 0.000 0.679 219 E N 1.325 121.441 120.200 -0.140 0.000 2.232 219 E HA 0.143 4.493 4.350 -0.000 0.000 0.265 219 E C 0.831 177.452 176.600 0.035 0.000 1.001 219 E CA -0.761 55.632 56.400 -0.011 0.000 0.870 219 E CB 1.169 30.821 29.700 -0.079 0.000 1.175 219 E HN 0.113 nan 8.360 nan 0.000 0.407 220 K N -0.136 120.272 120.400 0.013 0.000 2.417 220 K HA 0.205 4.525 4.320 -0.000 0.000 0.196 220 K C -0.080 176.461 176.600 -0.099 0.000 1.023 220 K CA 0.048 56.327 56.287 -0.013 0.000 1.122 220 K CB 0.371 32.867 32.500 -0.006 0.000 0.850 220 K HN 0.060 nan 8.250 nan 0.000 0.521 221 V N 1.437 121.245 119.914 -0.177 0.000 3.078 221 V HA 0.186 4.306 4.120 -0.000 0.000 0.311 221 V C -0.231 175.416 176.094 -0.745 0.000 1.138 221 V CA -0.943 61.132 62.300 -0.376 0.000 1.007 221 V CB 2.252 33.896 31.823 -0.297 0.000 1.045 221 V HN 0.447 nan 8.190 nan 0.000 0.432 222 T N 0.299 114.146 114.554 -1.178 0.000 2.898 222 T HA 0.707 5.057 4.350 -0.000 0.000 0.301 222 T C 0.062 173.991 174.700 -1.285 0.000 1.049 222 T CA 0.155 61.006 62.100 -2.083 0.000 1.095 222 T CB 1.342 68.626 68.868 -2.639 0.000 0.976 222 T HN 1.424 nan 8.240 nan 0.000 0.539 223 G N 0.497 108.698 108.800 -0.998 0.000 2.732 223 G HA2 0.386 4.346 3.960 -0.000 0.000 0.296 223 G HA3 0.386 4.346 3.960 -0.000 0.000 0.296 223 G C -1.530 173.474 174.900 0.173 0.000 1.448 223 G CA -0.825 44.023 45.100 -0.420 0.000 0.911 223 G HN 0.977 nan 8.290 nan 0.000 0.528 224 H N 1.197 120.401 119.070 0.224 0.000 2.683 224 H HA 0.134 4.690 4.556 -0.000 0.000 0.339 224 H C 1.431 177.022 175.328 0.437 0.000 1.081 224 H CA 0.102 56.379 56.048 0.381 0.000 1.432 224 H CB 1.625 31.543 29.762 0.260 0.000 1.462 224 H HN 0.603 nan 8.280 nan 0.000 0.557 225 N N 2.247 121.028 118.700 0.134 0.000 2.149 225 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 225 N C 0.080 175.880 175.510 0.482 0.000 1.019 225 N CA 1.464 54.667 53.050 0.255 0.000 0.857 225 N CB 0.217 38.725 38.487 0.034 0.000 0.997 225 N HN 0.301 nan 8.380 nan 0.000 0.426 226 S N -0.081 116.031 115.700 0.687 0.000 2.486 226 S HA 0.329 4.799 4.470 -0.000 0.000 0.144 226 S C -2.912 171.898 174.600 0.350 0.000 1.542 226 S CA -1.242 57.325 58.200 0.610 0.000 1.262 226 S CB 0.419 63.877 63.200 0.429 0.000 1.462 226 S HN 0.156 nan 8.310 nan 0.000 0.381 227 P HA 0.144 nan 4.420 nan 0.000 0.276 227 P C 0.878 178.019 177.300 -0.266 0.000 1.230 227 P CA -0.530 62.493 63.100 -0.128 0.000 0.776 227 P CB 1.159 32.833 31.700 -0.044 0.000 0.888 228 L N 3.778 124.775 121.223 -0.375 0.000 2.109 228 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 228 L C 0.197 176.559 176.870 -0.846 0.000 1.086 228 L CA 1.791 56.224 54.840 -0.678 0.000 0.760 228 L CB -0.772 40.789 42.059 -0.829 0.000 0.910 228 L HN 0.297 nan 8.230 nan 0.000 0.437 229 Y N -0.998 119.191 120.300 -0.185 0.000 2.634 229 Y HA 0.404 4.954 4.550 -0.000 0.000 0.340 229 Y C 0.105 175.936 175.900 -0.116 0.000 1.058 229 Y CA -1.759 56.256 58.100 -0.141 0.000 1.081 229 Y CB 0.712 39.119 38.460 -0.088 0.000 1.295 229 Y HN -0.077 nan 8.280 nan 0.000 0.487 230 K N 1.209 121.671 120.400 0.103 0.000 2.138 230 K HA 0.476 4.796 4.320 -0.000 0.000 0.251 230 K C -0.509 176.119 176.600 0.048 0.000 1.015 230 K CA -0.755 55.557 56.287 0.042 0.000 0.917 230 K CB 0.797 33.314 32.500 0.030 0.000 1.021 230 K HN 0.565 nan 8.250 nan 0.000 0.485 231 R N 1.200 121.717 120.500 0.028 0.000 2.500 231 R HA 0.017 4.357 4.340 -0.000 0.000 0.275 231 R C 1.324 177.630 176.300 0.009 0.000 1.051 231 R CA -0.309 55.801 56.100 0.016 0.000 1.088 231 R CB 0.808 31.105 30.300 -0.004 0.000 1.063 231 R HN 0.786 nan 8.270 nan 0.000 0.511 232 Q N 1.335 121.138 119.800 0.004 0.000 2.135 232 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 232 Q C 0.774 176.772 176.000 -0.004 0.000 0.981 232 Q CA 1.690 57.491 55.803 -0.002 0.000 0.856 232 Q CB -0.091 28.644 28.738 -0.005 0.000 0.902 232 Q HN 0.561 nan 8.270 nan 0.000 0.425 233 E N 1.048 121.244 120.200 -0.007 0.000 2.472 233 E HA -0.057 4.293 4.350 -0.000 0.000 0.200 233 E C -0.025 176.571 176.600 -0.008 0.000 1.046 233 E CA 0.530 56.923 56.400 -0.012 0.000 0.871 233 E CB 0.029 29.715 29.700 -0.023 0.000 0.806 233 E HN 0.397 nan 8.360 nan 0.000 0.533 234 Q N 0.222 120.022 119.800 0.001 0.000 2.230 234 Q HA 0.504 4.844 4.340 -0.000 0.000 0.253 234 Q C -0.402 175.607 176.000 0.016 0.000 0.919 234 Q CA -0.532 55.279 55.803 0.014 0.000 0.908 234 Q CB 1.877 30.633 28.738 0.030 0.000 1.245 234 Q HN 0.126 nan 8.270 nan 0.000 0.437 235 S N 0.013 115.725 115.700 0.020 0.000 2.656 235 S HA 0.870 5.340 4.470 -0.000 0.000 0.273 235 S C 0.170 174.783 174.600 0.023 0.000 1.168 235 S CA -0.258 57.952 58.200 0.017 0.000 0.817 235 S CB 1.417 64.623 63.200 0.010 0.000 1.146 235 S HN 1.050 nan 8.310 nan 0.000 0.475 236 G N 1.333 110.144 108.800 0.019 0.000 2.552 236 G HA2 0.069 4.029 3.960 -0.000 0.000 0.265 236 G HA3 0.069 4.029 3.960 -0.000 0.000 0.265 236 G C 1.085 176.002 174.900 0.028 0.000 1.234 236 G CA 0.877 45.989 45.100 0.020 0.000 0.944 236 G HN 2.003 nan 8.290 nan 0.000 0.568 237 A N -0.698 122.142 122.820 0.033 0.000 1.948 237 A HA 0.213 4.533 4.320 -0.000 0.000 0.220 237 A C 3.012 180.634 177.584 0.062 0.000 1.177 237 A CA 3.670 55.733 52.037 0.044 0.000 0.636 237 A CB -1.033 17.995 19.000 0.047 0.000 0.815 237 A HN 2.378 nan 8.150 nan 0.000 0.449 238 A N -0.445 122.417 122.820 0.070 0.000 2.070 238 A HA 0.229 4.549 4.320 -0.000 0.000 0.220 238 A C 2.271 179.899 177.584 0.074 0.000 1.159 238 A CA 1.634 53.729 52.037 0.096 0.000 0.656 238 A CB -0.724 18.338 19.000 0.104 0.000 0.800 238 A HN 1.089 nan 8.150 nan 0.000 0.453 239 A N 0.129 122.977 122.820 0.047 0.000 2.168 239 A HA 0.072 4.392 4.320 -0.000 0.000 0.215 239 A C 2.095 179.689 177.584 0.016 0.000 1.152 239 A CA 1.581 53.636 52.037 0.030 0.000 0.716 239 A CB -0.553 18.460 19.000 0.023 0.000 0.794 239 A HN 0.950 nan 8.150 nan 0.000 0.465 240 S N -0.968 114.747 115.700 0.024 0.000 2.557 240 S HA 0.315 4.785 4.470 -0.000 0.000 0.223 240 S C 0.435 175.030 174.600 -0.009 0.000 0.969 240 S CA -0.303 57.907 58.200 0.018 0.000 0.927 240 S CB -0.378 62.850 63.200 0.047 0.000 0.806 240 S HN 0.332 nan 8.310 nan 0.000 0.489 241 L N 3.511 124.706 121.223 -0.048 0.000 2.648 241 L HA 0.433 4.773 4.340 -0.000 0.000 0.238 241 L C -0.291 176.123 176.870 -0.761 0.000 1.316 241 L CA -0.456 54.294 54.840 -0.150 0.000 1.241 241 L CB -1.207 40.835 42.059 -0.027 0.000 1.499 241 L HN 0.525 nan 8.230 nan 0.000 0.411 242 N N -2.824 115.231 118.700 -1.075 0.000 2.823 242 N HA 0.254 4.994 4.740 -0.000 0.000 0.251 242 N C 0.298 175.301 175.510 -0.846 0.000 1.392 242 N CA -0.971 51.398 53.050 -1.135 0.000 0.864 242 N CB 1.184 39.406 38.487 -0.441 0.000 1.481 242 N HN -0.248 nan 8.380 nan 0.000 0.508 243 V N -0.073 119.514 119.914 -0.545 0.000 2.282 243 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 243 V C 1.799 177.791 176.094 -0.170 0.000 1.057 243 V CA 2.519 64.702 62.300 -0.195 0.000 1.032 243 V CB -0.905 30.750 31.823 -0.279 0.000 0.645 243 V HN 0.938 nan 8.190 nan 0.000 0.447 244 D N 0.106 120.335 120.400 -0.286 0.000 2.104 244 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 244 D C 2.093 178.450 176.300 0.096 0.000 0.994 244 D CA 1.686 55.665 54.000 -0.035 0.000 0.830 244 D CB -0.205 40.660 40.800 0.109 0.000 0.959 244 D HN 0.388 nan 8.370 nan 0.000 0.452 245 A N 0.410 123.249 122.820 0.031 0.000 1.902 245 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 245 A C 2.398 180.051 177.584 0.115 0.000 1.181 245 A CA 2.272 54.346 52.037 0.062 0.000 0.623 245 A CB -1.135 17.875 19.000 0.017 0.000 0.818 245 A HN 0.339 nan 8.150 nan 0.000 0.443 246 A N -0.547 122.365 122.820 0.154 0.000 1.877 246 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 246 A C 2.251 180.015 177.584 0.300 0.000 1.186 246 A CA 1.875 54.071 52.037 0.265 0.000 0.620 246 A CB -1.017 18.185 19.000 0.338 0.000 0.822 246 A HN 0.395 nan 8.150 nan 0.000 0.443 247 V N 0.037 120.093 119.914 0.236 0.000 2.295 247 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 247 V C 2.763 178.995 176.094 0.230 0.000 1.049 247 V CA 2.101 64.551 62.300 0.250 0.000 1.024 247 V CB -0.771 31.226 31.823 0.289 0.000 0.648 247 V HN 0.545 nan 8.190 nan 0.000 0.447 248 Q N -0.317 119.596 119.800 0.188 0.000 2.135 248 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 248 Q C 2.229 178.286 176.000 0.095 0.000 0.981 248 Q CA 1.999 57.882 55.803 0.132 0.000 0.856 248 Q CB -0.432 28.373 28.738 0.111 0.000 0.902 248 Q HN 0.782 nan 8.270 nan 0.000 0.425 249 Q N -0.682 119.172 119.800 0.089 0.000 2.020 249 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 249 Q C 1.712 177.654 176.000 -0.095 0.000 0.982 249 Q CA 1.469 57.259 55.803 -0.021 0.000 0.838 249 Q CB -0.155 28.553 28.738 -0.050 0.000 0.899 249 Q HN 0.390 nan 8.270 nan 0.000 0.423 250 W N 0.592 121.897 121.300 0.009 0.000 2.402 250 W HA -0.060 4.600 4.660 0.000 0.000 0.286 250 W C 2.007 178.536 176.519 0.017 0.000 1.221 250 W CA 0.654 57.999 57.345 0.001 0.000 1.257 250 W CB -0.116 29.338 29.460 -0.010 0.000 1.120 250 W HN 0.193 nan 8.180 nan 0.000 0.551 251 L N -0.525 120.817 121.223 0.197 0.000 2.023 251 L HA -0.205 4.135 4.340 -0.000 0.000 0.205 251 L C 2.470 179.379 176.870 0.065 0.000 1.073 251 L CA 1.323 56.239 54.840 0.127 0.000 0.745 251 L CB -1.087 41.036 42.059 0.106 0.000 0.900 251 L HN -0.030 nan 8.230 nan 0.000 0.435 252 Q N 0.114 119.937 119.800 0.038 0.000 2.181 252 Q HA -0.207 4.133 4.340 -0.000 0.000 0.205 252 Q C 1.866 177.853 176.000 -0.021 0.000 0.980 252 Q CA 1.294 57.100 55.803 0.006 0.000 0.862 252 Q CB 0.013 28.749 28.738 -0.003 0.000 0.905 252 Q HN 0.399 nan 8.270 nan 0.000 0.429 253 K N -1.199 119.167 120.400 -0.057 0.000 2.487 253 K HA 0.031 4.351 4.320 -0.000 0.000 0.192 253 K C 0.812 177.389 176.600 -0.038 0.000 1.027 253 K CA 0.655 56.886 56.287 -0.093 0.000 1.054 253 K CB 0.672 33.034 32.500 -0.229 0.000 0.824 253 K HN 0.359 nan 8.250 nan 0.000 0.510 254 G N 0.874 109.682 108.800 0.014 0.000 2.227 254 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.168 254 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.168 254 G C 0.052 175.007 174.900 0.092 0.000 1.006 254 G CA -0.535 44.592 45.100 0.045 0.000 0.684 254 G HN 0.190 nan 8.290 nan 0.000 0.489 255 T N 3.563 118.201 114.554 0.140 0.000 2.761 255 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 255 T C -2.201 172.575 174.700 0.127 0.000 0.934 255 T CA -0.637 61.570 62.100 0.179 0.000 1.091 255 T CB 1.665 70.705 68.868 0.287 0.000 0.896 255 T HN 0.064 nan 8.240 nan 0.000 0.515 256 P HA 0.144 nan 4.420 nan 0.000 0.266 256 P C 0.618 177.965 177.300 0.078 0.000 1.195 256 P CA -0.170 62.976 63.100 0.078 0.000 0.768 256 P CB 0.450 32.193 31.700 0.071 0.000 0.838 257 A N 3.276 126.131 122.820 0.059 0.000 1.917 257 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 257 A C 2.123 179.732 177.584 0.042 0.000 1.182 257 A CA 2.370 54.436 52.037 0.049 0.000 0.633 257 A CB -1.686 17.329 19.000 0.026 0.000 0.819 257 A HN 0.610 nan 8.150 nan 0.000 0.448 258 S N -0.761 114.962 115.700 0.039 0.000 2.500 258 S HA -0.071 4.399 4.470 -0.000 0.000 0.239 258 S C 1.522 176.150 174.600 0.047 0.000 0.989 258 S CA 1.418 59.637 58.200 0.032 0.000 0.951 258 S CB -0.214 63.004 63.200 0.031 0.000 0.759 258 S HN 0.624 nan 8.310 nan 0.000 0.523 259 K N -0.220 120.224 120.400 0.073 0.000 2.361 259 K HA 0.307 4.627 4.320 -0.000 0.000 0.194 259 K C -0.246 176.418 176.600 0.107 0.000 1.032 259 K CA -0.226 56.128 56.287 0.111 0.000 1.048 259 K CB 0.108 32.683 32.500 0.125 0.000 0.842 259 K HN 0.294 nan 8.250 nan 0.000 0.526 260 L N 2.614 123.881 121.223 0.073 0.000 2.278 260 L HA 0.225 4.565 4.340 -0.000 0.000 0.287 260 L C -0.813 176.073 176.870 0.026 0.000 1.072 260 L CA -0.140 54.728 54.840 0.046 0.000 0.819 260 L CB 0.487 42.585 42.059 0.065 0.000 1.176 260 L HN -0.066 nan 8.230 nan 0.000 0.435 261 I N 6.412 126.994 120.570 0.019 0.000 2.330 261 I HA 0.182 4.352 4.170 -0.000 0.000 0.289 261 I C -0.253 175.866 176.117 0.004 0.000 1.001 261 I CA -0.920 60.387 61.300 0.012 0.000 1.193 261 I CB 1.208 39.229 38.000 0.035 0.000 1.345 261 I HN 0.451 nan 8.210 nan 0.000 0.461 262 L N 6.868 128.096 121.223 0.009 0.000 2.407 262 L HA 0.441 4.781 4.340 -0.000 0.000 0.282 262 L C 0.796 177.675 176.870 0.015 0.000 1.110 262 L CA 0.238 55.084 54.840 0.010 0.000 0.863 262 L CB 0.174 42.258 42.059 0.042 0.000 1.207 262 L HN 0.706 nan 8.230 nan 0.000 0.454 263 G N 6.089 114.899 108.800 0.018 0.000 2.442 263 G HA2 0.475 4.435 3.960 -0.000 0.000 0.249 263 G HA3 0.475 4.435 3.960 -0.000 0.000 0.249 263 G C -0.530 174.488 174.900 0.196 0.000 1.263 263 G CA -0.562 44.620 45.100 0.136 0.000 0.846 263 G HN 0.631 nan 8.290 nan 0.000 0.555 264 M N 3.088 122.855 119.600 0.277 0.000 2.433 264 M HA 0.350 4.830 4.480 -0.000 0.000 0.290 264 M C -2.688 173.778 176.300 0.276 0.000 1.173 264 M CA -1.803 53.610 55.300 0.188 0.000 0.905 264 M CB 3.457 35.852 32.600 -0.343 0.000 1.692 264 M HN 0.293 nan 8.290 nan 0.000 0.462 265 P HA 0.272 nan 4.420 nan 0.000 0.292 265 P C -0.150 177.245 177.300 0.159 0.000 1.283 265 P CA -0.354 62.702 63.100 -0.074 0.000 0.835 265 P CB 1.151 32.406 31.700 -0.742 0.000 1.017 266 T N -0.489 114.190 114.554 0.209 0.000 3.223 266 T HA 0.271 4.621 4.350 -0.000 0.000 0.259 266 T C 0.290 175.106 174.700 0.193 0.000 1.015 266 T CA -0.188 62.011 62.100 0.165 0.000 0.908 266 T CB -1.102 67.886 68.868 0.199 0.000 1.054 266 T HN 0.466 nan 8.240 nan 0.000 0.567 267 Y N -1.401 118.964 120.300 0.108 0.000 2.634 267 Y HA 0.889 5.439 4.550 -0.000 0.000 0.340 267 Y C 0.018 175.978 175.900 0.100 0.000 1.058 267 Y CA -2.009 56.135 58.100 0.073 0.000 1.081 267 Y CB 0.986 39.482 38.460 0.059 0.000 1.295 267 Y HN 0.105 nan 8.280 nan 0.000 0.487 268 G N 0.725 109.615 108.800 0.151 0.000 2.714 268 G HA2 0.696 4.656 3.960 -0.000 0.000 0.292 268 G HA3 0.696 4.656 3.960 -0.000 0.000 0.292 268 G C -1.599 173.406 174.900 0.176 0.000 1.308 268 G CA -1.618 43.531 45.100 0.082 0.000 0.964 268 G HN 0.643 nan 8.290 nan 0.000 0.484 269 R N 0.043 120.617 120.500 0.125 0.000 2.494 269 R HA 0.557 4.897 4.340 -0.000 0.000 0.305 269 R C -0.263 176.101 176.300 0.106 0.000 0.959 269 R CA -0.495 55.661 56.100 0.094 0.000 0.864 269 R CB 1.942 32.272 30.300 0.049 0.000 1.159 269 R HN 0.676 nan 8.270 nan 0.000 0.446 270 S N 2.026 117.722 115.700 -0.005 0.000 2.638 270 S HA 0.751 5.221 4.470 -0.000 0.000 0.298 270 S C -0.616 173.914 174.600 -0.117 0.000 1.111 270 S CA -0.632 57.657 58.200 0.148 0.000 1.027 270 S CB 1.152 64.470 63.200 0.197 0.000 1.064 270 S HN 0.357 nan 8.310 nan 0.000 0.525 271 F N -0.648 119.451 119.950 0.249 0.000 2.626 271 F HA 0.524 5.051 4.527 -0.000 0.000 0.311 271 F C 0.168 176.068 175.800 0.166 0.000 1.088 271 F CA -0.752 57.325 58.000 0.128 0.000 0.949 271 F CB 2.146 41.136 39.000 -0.016 0.000 1.322 271 F HN 0.515 nan 8.300 nan 0.000 0.461 272 T N 3.306 118.035 114.554 0.293 0.000 2.749 272 T HA 0.566 4.916 4.350 -0.000 0.000 0.287 272 T C -0.172 174.617 174.700 0.149 0.000 0.970 272 T CA -0.488 61.734 62.100 0.202 0.000 0.980 272 T CB 0.409 69.354 68.868 0.128 0.000 0.924 272 T HN 0.285 nan 8.240 nan 0.000 0.456 273 L N 2.385 123.682 121.223 0.123 0.000 2.417 273 L HA 0.367 4.707 4.340 -0.000 0.000 0.268 273 L C 1.770 178.645 176.870 0.009 0.000 1.158 273 L CA -0.623 54.231 54.840 0.023 0.000 0.819 273 L CB 0.527 42.602 42.059 0.027 0.000 1.112 273 L HN 0.773 nan 8.230 nan 0.000 0.458 274 A N 1.762 124.562 122.820 -0.033 0.000 1.972 274 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 274 A C 1.075 178.650 177.584 -0.015 0.000 1.169 274 A CA 1.352 53.375 52.037 -0.022 0.000 0.635 274 A CB -0.044 18.930 19.000 -0.042 0.000 0.810 274 A HN 0.586 nan 8.150 nan 0.000 0.446 275 S N -1.757 113.928 115.700 -0.025 0.000 2.572 275 S HA 0.371 4.841 4.470 -0.000 0.000 0.274 275 S C 0.707 175.301 174.600 -0.010 0.000 1.150 275 S CA 0.152 58.343 58.200 -0.015 0.000 0.944 275 S CB 1.478 64.663 63.200 -0.026 0.000 1.071 275 S HN 0.667 nan 8.310 nan 0.000 0.479 276 S N 2.974 118.685 115.700 0.017 0.000 2.547 276 S HA -0.002 4.468 4.470 -0.000 0.000 0.235 276 S C 1.253 175.856 174.600 0.004 0.000 0.980 276 S CA 0.938 59.161 58.200 0.038 0.000 0.941 276 S CB -0.178 63.066 63.200 0.073 0.000 0.763 276 S HN 0.497 nan 8.310 nan 0.000 0.532 277 S N 0.980 116.671 115.700 -0.015 0.000 2.503 277 S HA 0.158 4.628 4.470 -0.000 0.000 0.217 277 S C 0.182 174.745 174.600 -0.062 0.000 0.999 277 S CA -0.007 58.178 58.200 -0.024 0.000 0.914 277 S CB -0.034 63.161 63.200 -0.009 0.000 0.782 277 S HN 0.536 nan 8.310 nan 0.000 0.520 278 D N 1.827 122.176 120.400 -0.085 0.000 2.477 278 D HA 0.249 4.889 4.640 -0.000 0.000 0.239 278 D C 0.415 176.616 176.300 -0.164 0.000 1.102 278 D CA -0.066 53.867 54.000 -0.112 0.000 0.901 278 D CB 0.961 41.699 40.800 -0.103 0.000 1.026 278 D HN 0.188 nan 8.370 nan 0.000 0.515 279 T N 0.065 114.492 114.554 -0.210 0.000 3.129 279 T HA 0.154 4.504 4.350 -0.000 0.000 0.267 279 T C 0.929 175.631 174.700 0.004 0.000 1.018 279 T CA -0.627 61.325 62.100 -0.247 0.000 0.903 279 T CB 0.064 68.364 68.868 -0.948 0.000 1.067 279 T HN 0.344 nan 8.240 nan 0.000 0.549 280 R N 0.355 120.824 120.500 -0.051 0.000 2.649 280 R HA 0.616 4.956 4.340 -0.000 0.000 0.270 280 R C -0.137 176.051 176.300 -0.188 0.000 1.105 280 R CA -0.744 55.362 56.100 0.010 0.000 1.193 280 R CB 0.349 30.637 30.300 -0.019 0.000 1.120 280 R HN 0.056 nan 8.270 nan 0.000 0.561 281 V N 1.599 121.411 119.914 -0.171 0.000 2.521 281 V HA 0.353 4.473 4.120 -0.000 0.000 0.286 281 V C 1.059 176.942 176.094 -0.351 0.000 1.034 281 V CA 1.721 63.837 62.300 -0.308 0.000 1.045 281 V CB 0.196 31.956 31.823 -0.104 0.000 0.974 281 V HN 1.098 nan 8.190 nan 0.000 0.480 282 G N 4.300 112.780 108.800 -0.533 0.000 2.195 282 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.224 282 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.224 282 G C 0.480 175.148 174.900 -0.386 0.000 0.990 282 G CA 0.091 44.949 45.100 -0.405 0.000 0.639 282 G HN 1.857 nan 8.290 nan 0.000 0.514 283 A N 0.861 123.404 122.820 -0.461 0.000 2.425 283 A HA 0.647 4.967 4.320 -0.000 0.000 0.242 283 A C -1.609 175.744 177.584 -0.385 0.000 1.077 283 A CA -0.486 51.329 52.037 -0.370 0.000 0.781 283 A CB 0.069 18.848 19.000 -0.369 0.000 1.020 283 A HN 0.178 nan 8.150 nan 0.000 0.494 284 P HA 0.324 nan 4.420 nan 0.000 0.266 284 P C -0.614 176.559 177.300 -0.212 0.000 1.195 284 P CA 0.553 63.532 63.100 -0.202 0.000 0.768 284 P CB 0.852 32.476 31.700 -0.127 0.000 0.838 285 A N 1.878 124.597 122.820 -0.168 0.000 2.401 285 A HA 0.565 4.885 4.320 -0.000 0.000 0.310 285 A C 0.776 178.357 177.584 -0.004 0.000 1.075 285 A CA -0.237 51.746 52.037 -0.090 0.000 0.746 285 A CB 0.874 19.829 19.000 -0.075 0.000 1.277 285 A HN 0.525 nan 8.150 nan 0.000 0.425 286 T N -1.552 113.023 114.554 0.034 0.000 3.069 286 T HA 0.538 4.888 4.350 -0.000 0.000 0.252 286 T C 0.833 175.569 174.700 0.060 0.000 1.053 286 T CA 0.813 62.936 62.100 0.039 0.000 0.964 286 T CB -0.128 68.759 68.868 0.032 0.000 1.005 286 T HN 2.320 nan 8.240 nan 0.000 0.532 287 G N 0.515 109.368 108.800 0.089 0.000 2.352 287 G HA2 0.350 4.309 3.960 -0.000 0.000 0.283 287 G HA3 0.350 4.309 3.960 -0.000 0.000 0.283 287 G C -1.086 173.850 174.900 0.060 0.000 1.308 287 G CA -0.626 44.518 45.100 0.072 0.000 0.892 287 G HN 0.224 nan 8.290 nan 0.000 0.504 288 S N -0.515 115.193 115.700 0.014 0.000 2.576 288 S HA 0.509 4.979 4.470 -0.000 0.000 0.272 288 S C 1.107 175.734 174.600 0.045 0.000 1.352 288 S CA 0.390 58.570 58.200 -0.034 0.000 1.021 288 S CB 0.938 64.133 63.200 -0.009 0.000 0.887 288 S HN 1.406 nan 8.310 nan 0.000 0.542 289 G N 0.953 109.790 108.800 0.061 0.000 2.572 289 G HA2 0.385 4.345 3.960 -0.000 0.000 0.261 289 G HA3 0.385 4.345 3.960 -0.000 0.000 0.261 289 G C -0.221 174.755 174.900 0.126 0.000 1.197 289 G CA -0.657 44.541 45.100 0.163 0.000 0.870 289 G HN 0.622 nan 8.290 nan 0.000 0.548 290 T N 2.591 117.225 114.554 0.133 0.000 2.946 290 T HA 0.219 4.569 4.350 -0.000 0.000 0.311 290 T C -1.934 172.829 174.700 0.105 0.000 1.063 290 T CA -0.124 62.030 62.100 0.091 0.000 1.139 290 T CB 0.755 69.656 68.868 0.056 0.000 0.994 290 T HN 0.267 nan 8.240 nan 0.000 0.547 291 P HA 0.241 nan 4.420 nan 0.000 0.269 291 P C 0.385 177.740 177.300 0.092 0.000 1.209 291 P CA -0.288 62.861 63.100 0.082 0.000 0.776 291 P CB 0.335 32.072 31.700 0.061 0.000 0.876 292 G N 2.923 111.790 108.800 0.112 0.000 2.483 292 G HA2 0.178 4.138 3.960 -0.000 0.000 0.248 292 G HA3 0.178 4.138 3.960 -0.000 0.000 0.248 292 G C -1.424 173.519 174.900 0.072 0.000 1.248 292 G CA -0.985 44.192 45.100 0.130 0.000 0.838 292 G HN 0.361 nan 8.290 nan 0.000 0.566 293 P HA -0.070 nan 4.420 nan 0.000 0.222 293 P C 0.746 177.825 177.300 -0.368 0.000 1.147 293 P CA 1.131 64.092 63.100 -0.232 0.000 0.790 293 P CB 0.153 31.627 31.700 -0.378 0.000 0.780 294 F N 0.074 120.137 119.950 0.189 0.000 2.514 294 F HA 0.046 4.572 4.527 -0.000 0.000 0.281 294 F C 2.579 178.512 175.800 0.221 0.000 1.060 294 F CA 1.409 59.550 58.000 0.235 0.000 1.397 294 F CB -1.357 37.869 39.000 0.377 0.000 1.129 294 F HN -0.130 nan 8.300 nan 0.000 0.620 295 T N -2.367 112.403 114.554 0.360 0.000 2.978 295 T HA -0.026 4.324 4.350 -0.000 0.000 0.262 295 T C 0.915 175.729 174.700 0.190 0.000 1.063 295 T CA 0.344 62.599 62.100 0.258 0.000 1.140 295 T CB -0.490 68.484 68.868 0.176 0.000 0.886 295 T HN 0.159 nan 8.240 nan 0.000 0.470 296 K N 1.497 121.985 120.400 0.147 0.000 3.156 296 K HA -0.188 4.132 4.320 -0.000 0.000 0.266 296 K C -0.227 176.430 176.600 0.095 0.000 0.966 296 K CA 0.769 57.120 56.287 0.106 0.000 0.719 296 K CB -1.481 31.081 32.500 0.102 0.000 1.333 296 K HN 0.743 nan 8.250 nan 0.000 0.468 297 E N 0.488 120.743 120.200 0.091 0.000 2.460 297 E HA 0.247 4.597 4.350 -0.000 0.000 0.249 297 E C 0.139 176.779 176.600 0.066 0.000 0.962 297 E CA -0.424 56.020 56.400 0.073 0.000 0.787 297 E CB 0.999 30.741 29.700 0.069 0.000 1.341 297 E HN 0.354 nan 8.360 nan 0.000 0.407 298 G N 1.684 110.520 108.800 0.060 0.000 2.265 298 G HA2 0.313 4.273 3.960 -0.000 0.000 0.240 298 G HA3 0.313 4.273 3.960 -0.000 0.000 0.240 298 G C 0.963 175.886 174.900 0.039 0.000 1.270 298 G CA 0.593 45.726 45.100 0.056 0.000 0.901 298 G HN 0.901 nan 8.290 nan 0.000 0.507 299 G N 1.166 109.979 108.800 0.022 0.000 2.253 299 G HA2 0.027 3.987 3.960 -0.000 0.000 0.209 299 G HA3 0.027 3.987 3.960 -0.000 0.000 0.209 299 G C 0.144 175.043 174.900 -0.002 0.000 0.997 299 G CA 0.867 45.944 45.100 -0.038 0.000 0.640 299 G HN 1.716 nan 8.290 nan 0.000 0.496 300 M N -0.655 118.978 119.600 0.055 0.000 2.593 300 M HA 0.924 5.404 4.480 -0.000 0.000 0.290 300 M C -1.105 175.253 176.300 0.098 0.000 1.244 300 M CA -1.115 54.247 55.300 0.102 0.000 0.857 300 M CB 1.895 34.543 32.600 0.081 0.000 1.738 300 M HN 0.118 nan 8.290 nan 0.000 0.461 301 L N 1.278 122.565 121.223 0.107 0.000 2.472 301 L HA 0.934 5.274 4.340 -0.000 0.000 0.260 301 L C -0.499 176.369 176.870 -0.004 0.000 0.963 301 L CA -1.288 53.572 54.840 0.032 0.000 0.829 301 L CB 2.288 44.330 42.059 -0.028 0.000 1.348 301 L HN 1.111 nan 8.230 nan 0.000 0.408 302 A N 0.675 123.399 122.820 -0.159 0.000 2.332 302 A HA 0.193 4.512 4.320 -0.000 0.000 0.258 302 A C 0.381 177.790 177.584 -0.291 0.000 1.087 302 A CA 0.095 51.958 52.037 -0.290 0.000 0.802 302 A CB 0.126 18.588 19.000 -0.897 0.000 1.042 302 A HN 0.775 nan 8.150 nan 0.000 0.489 303 Y N 1.316 121.467 120.300 -0.248 0.000 2.165 303 Y HA -0.329 4.221 4.550 0.000 0.000 0.286 303 Y C 1.967 177.747 175.900 -0.201 0.000 1.155 303 Y CA 2.855 60.837 58.100 -0.197 0.000 1.164 303 Y CB -0.676 37.738 38.460 -0.077 0.000 0.978 303 Y HN 0.809 nan 8.280 nan 0.000 0.513 304 Y N -0.927 119.294 120.300 -0.133 0.000 2.497 304 Y HA 0.012 4.562 4.550 -0.000 0.000 0.292 304 Y C 1.727 177.508 175.900 -0.198 0.000 1.137 304 Y CA 1.001 58.955 58.100 -0.243 0.000 1.285 304 Y CB -1.151 37.217 38.460 -0.153 0.000 0.991 304 Y HN 0.202 nan 8.280 nan 0.000 0.556 305 E N 0.376 120.437 120.200 -0.231 0.000 2.170 305 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 305 E C 2.142 178.657 176.600 -0.142 0.000 0.981 305 E CA 0.882 57.276 56.400 -0.011 0.000 0.830 305 E CB -0.003 29.704 29.700 0.011 0.000 0.775 305 E HN 0.382 nan 8.360 nan 0.000 0.470 306 V N 0.802 120.425 119.914 -0.484 0.000 2.515 306 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 306 V C 2.242 177.925 176.094 -0.685 0.000 1.058 306 V CA 1.238 63.001 62.300 -0.895 0.000 1.064 306 V CB -0.336 30.777 31.823 -1.183 0.000 0.675 306 V HN 0.465 nan 8.190 nan 0.000 0.461 307 c N 0.767 119.016 118.600 -0.586 0.000 2.419 307 c HA -0.104 4.466 4.570 -0.000 0.000 0.281 307 c C 3.010 176.997 174.090 -0.173 0.000 1.336 307 c CA 1.351 57.430 56.329 -0.417 0.000 1.770 307 c CB -1.193 41.057 42.510 -0.433 0.000 1.929 307 c HN 0.742 nan 8.230 nan 0.000 0.509 308 S N -1.706 113.965 115.700 -0.047 0.000 2.603 308 S HA -0.038 4.432 4.470 -0.000 0.000 0.220 308 S C 0.246 174.942 174.600 0.161 0.000 0.967 308 S CA -0.024 58.206 58.200 0.050 0.000 0.920 308 S CB -0.520 62.732 63.200 0.086 0.000 0.773 308 S HN 0.670 nan 8.310 nan 0.000 0.529 309 W N 3.787 124.991 121.300 -0.160 0.000 1.371 309 W HA 0.483 5.143 4.660 -0.000 0.000 0.482 309 W C 0.030 176.475 176.519 -0.124 0.000 0.640 309 W CA -1.274 55.990 57.345 -0.135 0.000 2.164 309 W CB -0.922 28.440 29.460 -0.162 0.000 1.613 309 W HN -0.003 nan 8.180 nan 0.000 0.212 310 K N 0.510 120.939 120.400 0.048 0.000 2.401 310 K HA 0.424 4.744 4.320 -0.000 0.000 0.278 310 K C 1.184 177.773 176.600 -0.019 0.000 1.018 310 K CA 0.850 57.136 56.287 -0.001 0.000 0.981 310 K CB 0.559 33.044 32.500 -0.026 0.000 0.933 310 K HN 0.413 nan 8.250 nan 0.000 0.477 311 G N 0.454 109.239 108.800 -0.024 0.000 2.176 311 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.253 311 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.253 311 G C 0.280 175.152 174.900 -0.045 0.000 0.979 311 G CA 0.063 45.141 45.100 -0.036 0.000 0.641 311 G HN 0.841 nan 8.290 nan 0.000 0.530 312 A N -0.285 122.521 122.820 -0.024 0.000 2.287 312 A HA 0.776 5.096 4.320 -0.000 0.000 0.273 312 A C 0.515 177.976 177.584 -0.205 0.000 1.091 312 A CA 0.831 52.837 52.037 -0.053 0.000 0.817 312 A CB 0.662 19.753 19.000 0.151 0.000 1.069 312 A HN 0.713 nan 8.150 nan 0.000 0.492 313 T N 1.607 115.867 114.554 -0.490 0.000 2.771 313 T HA 0.407 4.757 4.350 -0.000 0.000 0.281 313 T C -0.111 174.249 174.700 -0.566 0.000 0.982 313 T CA -0.343 61.405 62.100 -0.586 0.000 0.978 313 T CB 0.708 69.035 68.868 -0.902 0.000 0.930 313 T HN 0.619 nan 8.240 nan 0.000 0.447 314 K N 2.905 123.116 120.400 -0.315 0.000 2.130 314 K HA 0.415 4.735 4.320 -0.000 0.000 0.268 314 K C -0.596 175.822 176.600 -0.303 0.000 0.983 314 K CA -0.666 55.465 56.287 -0.261 0.000 0.893 314 K CB 0.620 33.044 32.500 -0.125 0.000 1.066 314 K HN 0.413 nan 8.250 nan 0.000 0.450 315 Q N 2.551 122.060 119.800 -0.485 0.000 2.421 315 Q HA 0.385 4.725 4.340 -0.000 0.000 0.280 315 Q C -1.063 174.655 176.000 -0.470 0.000 1.085 315 Q CA -0.902 54.596 55.803 -0.508 0.000 0.807 315 Q CB 2.179 30.461 28.738 -0.761 0.000 1.405 315 Q HN 0.561 nan 8.270 nan 0.000 0.419 316 R N 1.589 121.955 120.500 -0.223 0.000 2.387 316 R HA 0.526 4.866 4.340 -0.000 0.000 0.314 316 R C -0.116 176.189 176.300 0.009 0.000 0.958 316 R CA -0.640 55.392 56.100 -0.113 0.000 0.846 316 R CB 0.958 31.212 30.300 -0.076 0.000 1.147 316 R HN 0.585 nan 8.270 nan 0.000 0.447 317 I N 4.564 125.182 120.570 0.079 0.000 2.347 317 I HA -0.039 4.131 4.170 -0.000 0.000 0.294 317 I C 1.579 177.728 176.117 0.054 0.000 1.090 317 I CA -0.210 61.171 61.300 0.136 0.000 1.314 317 I CB 0.886 38.974 38.000 0.147 0.000 1.423 317 I HN 0.275 nan 8.210 nan 0.000 0.503 318 Q N 3.637 123.470 119.800 0.055 0.000 2.112 318 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 318 Q C 1.332 177.359 176.000 0.045 0.000 0.987 318 Q CA 1.749 57.575 55.803 0.038 0.000 0.858 318 Q CB -0.113 28.646 28.738 0.035 0.000 0.905 318 Q HN 0.629 nan 8.270 nan 0.000 0.420 319 D N 0.338 120.767 120.400 0.049 0.000 2.149 319 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 319 D C 1.593 177.962 176.300 0.114 0.000 0.972 319 D CA 0.886 54.922 54.000 0.060 0.000 0.835 319 D CB 0.017 40.843 40.800 0.043 0.000 0.966 319 D HN 0.429 nan 8.370 nan 0.000 0.476 320 Q N 0.138 119.975 119.800 0.061 0.000 2.392 320 Q HA 0.049 4.389 4.340 -0.000 0.000 0.203 320 Q C -0.070 175.884 176.000 -0.076 0.000 0.917 320 Q CA -0.042 55.764 55.803 0.005 0.000 0.939 320 Q CB 0.572 29.277 28.738 -0.055 0.000 1.063 320 Q HN -0.019 nan 8.270 nan 0.000 0.516 321 K N -0.283 120.101 120.400 -0.027 0.000 3.069 321 K HA -0.146 4.174 4.320 -0.000 0.000 0.267 321 K C -0.409 176.106 176.600 -0.142 0.000 1.082 321 K CA 0.912 57.166 56.287 -0.055 0.000 0.782 321 K CB -2.820 29.664 32.500 -0.026 0.000 1.230 321 K HN 0.306 nan 8.250 nan 0.000 0.488 322 V N -3.551 116.235 119.914 -0.213 0.000 3.078 322 V HA 0.844 4.964 4.120 -0.000 0.000 0.311 322 V C -2.551 173.386 176.094 -0.261 0.000 1.138 322 V CA -2.176 59.922 62.300 -0.336 0.000 1.007 322 V CB 3.133 34.491 31.823 -0.775 0.000 1.045 322 V HN -0.083 nan 8.190 nan 0.000 0.432 323 P HA 0.643 nan 4.420 nan 0.000 0.285 323 P C -2.003 175.146 177.300 -0.252 0.000 1.285 323 P CA -0.430 62.467 63.100 -0.338 0.000 0.854 323 P CB 1.846 33.222 31.700 -0.539 0.000 1.180 324 Y N -0.779 119.348 120.300 -0.288 0.000 2.609 324 Y HA 0.771 5.321 4.550 -0.000 0.000 0.336 324 Y C -1.024 174.784 175.900 -0.154 0.000 1.129 324 Y CA -1.453 56.455 58.100 -0.320 0.000 1.040 324 Y CB 0.947 38.958 38.460 -0.749 0.000 1.310 324 Y HN 0.447 nan 8.280 nan 0.000 0.460 325 I N 0.630 121.190 120.570 -0.016 0.000 2.969 325 I HA 0.944 5.114 4.170 -0.000 0.000 0.307 325 I C -1.675 174.487 176.117 0.076 0.000 1.149 325 I CA -1.345 59.901 61.300 -0.090 0.000 1.008 325 I CB 2.759 40.684 38.000 -0.125 0.000 1.232 325 I HN 0.759 nan 8.210 nan 0.000 0.435 326 F N 0.995 121.041 119.950 0.160 0.000 2.631 326 F HA 0.827 5.354 4.527 0.000 0.000 0.308 326 F C -1.003 174.993 175.800 0.327 0.000 1.097 326 F CA -0.999 57.205 58.000 0.340 0.000 0.952 326 F CB 1.753 40.952 39.000 0.331 0.000 1.307 326 F HN 0.747 nan 8.300 nan 0.000 0.450 327 R N 2.809 123.600 120.500 0.485 0.000 2.508 327 R HA 0.278 4.618 4.340 -0.000 0.000 0.283 327 R C -0.590 175.822 176.300 0.187 0.000 1.120 327 R CA -0.177 56.045 56.100 0.203 0.000 0.958 327 R CB 1.139 31.419 30.300 -0.033 0.000 1.215 327 R HN 1.030 nan 8.270 nan 0.000 0.427 328 D N 1.702 122.222 120.400 0.200 0.000 3.685 328 D HA -0.290 4.350 4.640 -0.000 0.000 0.152 328 D C 0.024 176.434 176.300 0.183 0.000 0.966 328 D CA 2.160 56.245 54.000 0.141 0.000 1.085 328 D CB -0.380 40.449 40.800 0.047 0.000 0.521 328 D HN 0.787 nan 8.370 nan 0.000 0.543 329 N N 1.557 120.334 118.700 0.129 0.000 2.313 329 N HA -0.023 4.717 4.740 -0.000 0.000 0.207 329 N C -0.313 175.325 175.510 0.214 0.000 1.141 329 N CA 0.441 53.579 53.050 0.146 0.000 0.830 329 N CB 0.258 38.798 38.487 0.090 0.000 1.008 329 N HN 0.220 nan 8.380 nan 0.000 0.481 330 Q N 0.200 120.166 119.800 0.277 0.000 2.282 330 Q HA 0.308 4.647 4.340 -0.000 0.000 0.260 330 Q C -1.476 174.945 176.000 0.701 0.000 0.964 330 Q CA -0.299 55.751 55.803 0.411 0.000 0.880 330 Q CB 2.042 30.921 28.738 0.235 0.000 1.286 330 Q HN 0.454 nan 8.270 nan 0.000 0.445 331 W N 2.524 124.116 121.300 0.486 0.000 2.957 331 W HA 0.574 5.234 4.660 -0.000 0.000 0.336 331 W C -1.610 175.151 176.519 0.403 0.000 1.087 331 W CA -0.762 56.858 57.345 0.457 0.000 1.235 331 W CB 1.326 30.939 29.460 0.256 0.000 1.399 331 W HN 0.358 nan 8.180 nan 0.000 0.480 332 V N 6.196 126.231 119.914 0.201 0.000 2.668 332 V HA 0.829 4.949 4.120 -0.000 0.000 0.304 332 V C -0.436 175.608 176.094 -0.084 0.000 1.071 332 V CA -0.422 61.955 62.300 0.128 0.000 0.894 332 V CB 1.541 33.243 31.823 -0.202 0.000 1.008 332 V HN 0.723 nan 8.190 nan 0.000 0.425 333 G N 6.018 114.861 108.800 0.071 0.000 2.322 333 G HA2 0.709 4.669 3.960 -0.000 0.000 0.309 333 G HA3 0.709 4.669 3.960 -0.000 0.000 0.309 333 G C -1.074 173.740 174.900 -0.143 0.000 1.121 333 G CA -0.304 44.706 45.100 -0.149 0.000 0.886 333 G HN 1.146 nan 8.290 nan 0.000 0.447 334 F N -0.312 119.506 119.950 -0.221 0.000 2.789 334 F HA 0.742 5.269 4.527 0.000 0.000 0.319 334 F C -1.329 174.555 175.800 0.139 0.000 1.168 334 F CA -1.917 56.028 58.000 -0.091 0.000 0.934 334 F CB 0.983 39.932 39.000 -0.084 0.000 1.375 334 F HN 0.333 nan 8.300 nan 0.000 0.480 335 D N 0.432 120.892 120.400 0.100 0.000 2.248 335 D HA 0.472 5.112 4.640 -0.000 0.000 0.246 335 D C -1.212 174.983 176.300 -0.176 0.000 1.027 335 D CA -0.065 53.899 54.000 -0.061 0.000 0.853 335 D CB 1.605 42.469 40.800 0.107 0.000 1.243 335 D HN 0.684 nan 8.370 nan 0.000 0.462 336 D N -0.201 120.037 120.400 -0.270 0.000 2.687 336 D HA 0.175 4.815 4.640 -0.000 0.000 0.264 336 D C 0.855 176.961 176.300 -0.323 0.000 1.091 336 D CA -0.715 53.144 54.000 -0.235 0.000 1.123 336 D CB 0.322 41.153 40.800 0.050 0.000 1.407 336 D HN 0.130 nan 8.370 nan 0.000 0.591 337 V N 0.149 119.938 119.914 -0.208 0.000 2.332 337 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 337 V C 2.121 178.211 176.094 -0.006 0.000 1.055 337 V CA 2.398 64.633 62.300 -0.108 0.000 1.038 337 V CB -0.873 30.931 31.823 -0.032 0.000 0.651 337 V HN 0.522 nan 8.190 nan 0.000 0.450 338 E N 0.657 120.850 120.200 -0.013 0.000 2.047 338 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 338 E C 2.392 179.009 176.600 0.027 0.000 0.987 338 E CA 1.613 58.018 56.400 0.008 0.000 0.799 338 E CB -0.418 29.274 29.700 -0.013 0.000 0.752 338 E HN 0.754 nan 8.360 nan 0.000 0.449 339 S N -0.085 115.621 115.700 0.009 0.000 2.402 339 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 339 S C 1.812 176.531 174.600 0.199 0.000 1.021 339 S CA 0.480 58.708 58.200 0.047 0.000 0.974 339 S CB -0.360 62.834 63.200 -0.010 0.000 0.800 339 S HN 0.082 nan 8.310 nan 0.000 0.484 340 F N 2.419 122.341 119.950 -0.046 0.000 2.146 340 F HA 0.209 4.736 4.527 0.000 0.000 0.298 340 F C 2.416 178.213 175.800 -0.004 0.000 1.096 340 F CA 0.447 58.433 58.000 -0.023 0.000 1.275 340 F CB -0.581 38.401 39.000 -0.029 0.000 1.008 340 F HN 0.215 nan 8.300 nan 0.000 0.480 341 K N -0.697 119.815 120.400 0.186 0.000 2.057 341 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 341 K C 1.965 178.613 176.600 0.079 0.000 1.049 341 K CA 1.881 58.232 56.287 0.105 0.000 0.931 341 K CB -0.501 32.046 32.500 0.078 0.000 0.714 341 K HN 0.171 nan 8.250 nan 0.000 0.440 342 T N 1.366 115.964 114.554 0.073 0.000 2.746 342 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 342 T C 1.643 176.382 174.700 0.066 0.000 1.039 342 T CA 1.299 63.435 62.100 0.060 0.000 1.142 342 T CB -0.055 68.832 68.868 0.031 0.000 0.866 342 T HN 0.232 nan 8.240 nan 0.000 0.444 343 K N 0.538 120.959 120.400 0.034 0.000 2.148 343 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 343 K C 2.259 178.905 176.600 0.076 0.000 1.050 343 K CA 0.710 57.008 56.287 0.017 0.000 0.942 343 K CB -0.235 32.225 32.500 -0.067 0.000 0.724 343 K HN 0.160 nan 8.250 nan 0.000 0.446 344 V N 0.543 120.481 119.914 0.040 0.000 2.453 344 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 344 V C 2.319 178.448 176.094 0.058 0.000 1.048 344 V CA 1.719 64.039 62.300 0.034 0.000 1.049 344 V CB -0.169 31.665 31.823 0.018 0.000 0.672 344 V HN 0.319 nan 8.190 nan 0.000 0.457 345 S N -1.088 114.657 115.700 0.074 0.000 2.368 345 S HA -0.260 4.210 4.470 -0.000 0.000 0.225 345 S C 1.980 176.634 174.600 0.090 0.000 1.030 345 S CA 2.032 60.275 58.200 0.071 0.000 0.999 345 S CB -0.402 62.846 63.200 0.079 0.000 0.844 345 S HN 0.700 nan 8.310 nan 0.000 0.459 346 Y N 2.759 123.066 120.300 0.011 0.000 2.114 346 Y HA -0.137 4.413 4.550 -0.000 0.000 0.284 346 Y C 1.954 177.860 175.900 0.011 0.000 1.143 346 Y CA 1.987 60.098 58.100 0.019 0.000 1.135 346 Y CB -0.570 37.881 38.460 -0.015 0.000 0.980 346 Y HN 0.386 nan 8.280 nan 0.000 0.499 347 L N -0.099 121.176 121.223 0.086 0.000 2.131 347 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 347 L C 1.938 178.753 176.870 -0.091 0.000 1.092 347 L CA 1.759 56.583 54.840 -0.027 0.000 0.759 347 L CB -0.953 41.150 42.059 0.074 0.000 0.903 347 L HN -0.017 nan 8.230 nan 0.000 0.435 348 K N -0.038 120.331 120.400 -0.053 0.000 2.057 348 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 348 K C 2.243 178.798 176.600 -0.076 0.000 1.050 348 K CA 1.821 58.080 56.287 -0.047 0.000 0.935 348 K CB -0.254 32.234 32.500 -0.019 0.000 0.715 348 K HN 0.520 nan 8.250 nan 0.000 0.439 349 Q N 0.427 120.163 119.800 -0.107 0.000 2.226 349 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 349 Q C 1.560 177.464 176.000 -0.159 0.000 0.975 349 Q CA 0.970 56.703 55.803 -0.116 0.000 0.866 349 Q CB 0.205 28.876 28.738 -0.113 0.000 0.915 349 Q HN 0.055 nan 8.270 nan 0.000 0.440 350 K N -0.765 119.487 120.400 -0.247 0.000 2.426 350 K HA 0.060 4.380 4.320 -0.000 0.000 0.193 350 K C 0.860 177.395 176.600 -0.109 0.000 1.028 350 K CA 0.749 56.904 56.287 -0.220 0.000 1.047 350 K CB 0.686 32.976 32.500 -0.350 0.000 0.821 350 K HN 0.348 nan 8.250 nan 0.000 0.513 351 G N 2.133 110.882 108.800 -0.086 0.000 2.176 351 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.252 351 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.252 351 G C 0.166 175.049 174.900 -0.028 0.000 1.024 351 G CA 0.079 45.153 45.100 -0.044 0.000 0.755 351 G HN 0.191 nan 8.290 nan 0.000 0.507 352 L N -0.573 120.630 121.223 -0.034 0.000 2.473 352 L HA 0.408 4.748 4.340 -0.000 0.000 0.268 352 L C 2.070 178.934 176.870 -0.010 0.000 1.215 352 L CA 0.304 55.139 54.840 -0.008 0.000 0.823 352 L CB 0.266 42.328 42.059 0.005 0.000 1.099 352 L HN 0.174 nan 8.230 nan 0.000 0.483 353 G N 0.172 108.968 108.800 -0.006 0.000 2.559 353 G HA2 0.320 4.280 3.960 -0.000 0.000 0.216 353 G HA3 0.320 4.280 3.960 -0.000 0.000 0.216 353 G C 0.610 175.478 174.900 -0.054 0.000 1.126 353 G CA 0.729 45.813 45.100 -0.026 0.000 0.778 353 G HN 0.982 nan 8.290 nan 0.000 0.543 354 G N -1.769 107.005 108.800 -0.044 0.000 2.350 354 G HA2 0.567 4.527 3.960 -0.000 0.000 0.276 354 G HA3 0.567 4.527 3.960 -0.000 0.000 0.276 354 G C -1.301 173.575 174.900 -0.041 0.000 1.313 354 G CA -0.130 44.938 45.100 -0.053 0.000 0.903 354 G HN 1.030 nan 8.290 nan 0.000 0.490 355 A N -0.433 122.358 122.820 -0.048 0.000 2.380 355 A HA 0.897 5.216 4.320 -0.000 0.000 0.315 355 A C -0.213 177.367 177.584 -0.007 0.000 1.101 355 A CA -0.424 51.589 52.037 -0.041 0.000 0.771 355 A CB 1.894 20.843 19.000 -0.084 0.000 1.287 355 A HN 1.610 nan 8.150 nan 0.000 0.436 356 M N 2.202 121.832 119.600 0.050 0.000 2.530 356 M HA 0.701 5.180 4.480 -0.000 0.000 0.307 356 M C -2.152 174.280 176.300 0.219 0.000 1.161 356 M CA -0.754 54.648 55.300 0.169 0.000 0.903 356 M CB 1.636 34.395 32.600 0.265 0.000 1.711 356 M HN 0.849 nan 8.290 nan 0.000 0.451 357 V N 5.577 125.680 119.914 0.315 0.000 2.686 357 V HA 0.622 4.742 4.120 -0.000 0.000 0.306 357 V C -2.264 174.098 176.094 0.447 0.000 1.065 357 V CA -0.336 62.158 62.300 0.324 0.000 0.894 357 V CB 2.297 34.249 31.823 0.215 0.000 1.004 357 V HN 0.909 nan 8.190 nan 0.000 0.424 358 W N 8.047 129.471 121.300 0.208 0.000 2.362 358 W HA 0.825 5.485 4.660 0.000 0.000 0.316 358 W C -0.731 175.873 176.519 0.142 0.000 1.024 358 W CA -0.091 57.322 57.345 0.114 0.000 1.270 358 W CB 1.578 31.020 29.460 -0.030 0.000 1.273 358 W HN 0.917 nan 8.180 nan 0.000 0.424 359 A N 4.761 127.495 122.820 -0.143 0.000 2.569 359 A HA 0.480 4.799 4.320 -0.000 0.000 0.290 359 A C 0.161 177.601 177.584 -0.239 0.000 1.136 359 A CA -0.655 51.089 52.037 -0.488 0.000 0.710 359 A CB 1.396 19.597 19.000 -1.332 0.000 1.303 359 A HN 0.605 nan 8.150 nan 0.000 0.413 360 L N -0.078 120.988 121.223 -0.263 0.000 2.043 360 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 360 L C 1.974 178.738 176.870 -0.176 0.000 1.075 360 L CA 2.457 57.250 54.840 -0.080 0.000 0.752 360 L CB -0.485 41.525 42.059 -0.081 0.000 0.891 360 L HN 0.991 nan 8.230 nan 0.000 0.432 361 D N -0.871 119.068 120.400 -0.769 0.000 2.371 361 D HA -0.133 4.507 4.640 -0.000 0.000 0.221 361 D C 1.784 178.123 176.300 0.065 0.000 0.986 361 D CA 0.689 54.241 54.000 -0.746 0.000 0.899 361 D CB -0.141 39.957 40.800 -1.169 0.000 0.902 361 D HN 0.338 nan 8.370 nan 0.000 0.530 362 L N -0.656 120.609 121.223 0.070 0.000 2.590 362 L HA 0.194 4.534 4.340 -0.000 0.000 0.227 362 L C 0.967 178.025 176.870 0.314 0.000 1.099 362 L CA -0.257 54.692 54.840 0.181 0.000 0.872 362 L CB -0.064 42.040 42.059 0.076 0.000 1.088 362 L HN 0.032 nan 8.230 nan 0.000 0.479 363 D N 0.393 121.020 120.400 0.378 0.000 2.377 363 D HA -0.039 4.601 4.640 -0.000 0.000 0.245 363 D C -0.251 176.336 176.300 0.477 0.000 1.196 363 D CA -0.167 54.075 54.000 0.402 0.000 0.962 363 D CB 0.966 42.023 40.800 0.427 0.000 1.127 363 D HN -0.155 nan 8.370 nan 0.000 0.471 364 D N 0.810 121.418 120.400 0.346 0.000 2.551 364 D HA 0.003 4.643 4.640 -0.000 0.000 0.223 364 D C 0.815 177.000 176.300 -0.192 0.000 1.144 364 D CA -0.322 53.728 54.000 0.083 0.000 1.025 364 D CB -1.023 39.843 40.800 0.109 0.000 1.085 364 D HN 0.336 nan 8.370 nan 0.000 0.506 365 F N 0.748 120.551 119.950 -0.245 0.000 2.641 365 F HA 0.151 4.678 4.527 0.000 0.000 0.298 365 F C 1.239 176.714 175.800 -0.542 0.000 1.146 365 F CA 0.277 57.826 58.000 -0.752 0.000 1.464 365 F CB -0.174 38.601 39.000 -0.375 0.000 1.101 365 F HN 0.222 nan 8.300 nan 0.000 0.585 366 A N 0.053 122.466 122.820 -0.678 0.000 2.635 366 A HA 0.570 4.890 4.320 -0.000 0.000 0.279 366 A C 1.614 179.046 177.584 -0.253 0.000 1.122 366 A CA 0.110 51.906 52.037 -0.402 0.000 0.965 366 A CB -0.836 17.874 19.000 -0.484 0.000 1.221 366 A HN 0.879 nan 8.150 nan 0.000 0.566 367 G N -0.655 108.015 108.800 -0.216 0.000 2.258 367 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.274 367 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.274 367 G C 0.581 175.473 174.900 -0.014 0.000 1.021 367 G CA 0.831 45.880 45.100 -0.084 0.000 0.798 367 G HN 0.741 nan 8.290 nan 0.000 0.507 368 F N 1.117 120.894 119.950 -0.287 0.000 2.118 368 F HA 0.134 4.661 4.527 -0.001 0.000 0.293 368 F C 2.443 178.133 175.800 -0.184 0.000 1.102 368 F CA 1.839 59.689 58.000 -0.250 0.000 1.247 368 F CB -0.637 38.151 39.000 -0.354 0.000 1.017 368 F HN 0.233 nan 8.300 nan 0.000 0.475 369 S N -1.037 114.488 115.700 -0.293 0.000 2.377 369 S HA -0.120 4.350 4.470 -0.000 0.000 0.223 369 S C 2.038 176.511 174.600 -0.212 0.000 1.030 369 S CA 1.448 59.449 58.200 -0.332 0.000 0.970 369 S CB -0.735 62.337 63.200 -0.213 0.000 0.830 369 S HN 0.467 nan 8.310 nan 0.000 0.473 370 c N 1.238 119.756 118.600 -0.137 0.000 2.673 370 c HA 0.441 5.011 4.570 -0.000 0.000 0.264 370 c C 1.047 175.109 174.090 -0.046 0.000 1.304 370 c CA -0.516 55.754 56.329 -0.099 0.000 1.727 370 c CB -2.051 40.430 42.510 -0.049 0.000 1.932 370 c HN 0.770 nan 8.230 nan 0.000 0.563 371 N N 0.715 119.391 118.700 -0.040 0.000 2.721 371 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 371 N C 0.270 175.786 175.510 0.010 0.000 1.072 371 N CA 0.293 53.333 53.050 -0.015 0.000 0.710 371 N CB -0.479 37.993 38.487 -0.026 0.000 0.993 371 N HN 0.713 nan 8.380 nan 0.000 0.547 372 Q N -0.429 119.389 119.800 0.030 0.000 2.135 372 Q HA 0.288 4.628 4.340 -0.000 0.000 0.222 372 Q C 0.777 176.810 176.000 0.055 0.000 0.808 372 Q CA 0.256 56.091 55.803 0.052 0.000 1.049 372 Q CB 1.438 30.230 28.738 0.090 0.000 1.168 372 Q HN 0.511 nan 8.270 nan 0.000 0.483 373 G N 1.989 110.812 108.800 0.039 0.000 2.757 373 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.638 373 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.638 373 G C -0.873 174.052 174.900 0.041 0.000 1.344 373 G CA -0.791 44.333 45.100 0.040 0.000 0.855 373 G HN 0.304 nan 8.290 nan 0.000 0.537 374 R N -0.440 120.088 120.500 0.046 0.000 2.543 374 R HA 0.414 4.754 4.340 -0.000 0.000 0.277 374 R C 0.234 176.628 176.300 0.157 0.000 1.074 374 R CA -0.081 56.036 56.100 0.029 0.000 1.076 374 R CB -0.168 30.167 30.300 0.057 0.000 0.993 374 R HN 1.098 nan 8.270 nan 0.000 0.459 375 Y N 2.590 122.972 120.300 0.136 0.000 3.037 375 Y HA -0.203 4.347 4.550 0.000 0.000 0.204 375 Y C -1.582 174.380 175.900 0.103 0.000 1.275 375 Y CA 0.498 58.690 58.100 0.153 0.000 1.066 375 Y CB -1.313 37.240 38.460 0.155 0.000 1.305 375 Y HN 0.717 nan 8.280 nan 0.000 0.499 376 P HA -0.218 nan 4.420 nan 0.000 0.215 376 P C 1.602 178.927 177.300 0.042 0.000 1.153 376 P CA 1.841 65.010 63.100 0.116 0.000 0.853 376 P CB 0.208 31.985 31.700 0.128 0.000 0.788 377 L N -1.121 120.071 121.223 -0.052 0.000 2.044 377 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 377 L C 2.874 179.872 176.870 0.212 0.000 1.075 377 L CA 1.204 55.953 54.840 -0.153 0.000 0.747 377 L CB -0.737 40.985 42.059 -0.562 0.000 0.903 377 L HN -0.160 nan 8.230 nan 0.000 0.435 378 I N -0.542 120.182 120.570 0.257 0.000 2.439 378 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 378 I C 2.558 178.765 176.117 0.150 0.000 1.139 378 I CA 0.753 62.193 61.300 0.234 0.000 1.438 378 I CB -0.128 37.968 38.000 0.160 0.000 1.085 378 I HN 0.289 nan 8.210 nan 0.000 0.427 379 Q N 0.788 120.683 119.800 0.159 0.000 2.119 379 Q HA -0.160 4.180 4.340 -0.000 0.000 0.201 379 Q C 2.101 178.163 176.000 0.103 0.000 0.972 379 Q CA 1.960 57.832 55.803 0.115 0.000 0.847 379 Q CB -0.117 28.702 28.738 0.135 0.000 0.903 379 Q HN 0.354 nan 8.270 nan 0.000 0.433 380 T N 0.638 115.268 114.554 0.128 0.000 2.746 380 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 380 T C 1.603 176.379 174.700 0.126 0.000 1.039 380 T CA 1.332 63.506 62.100 0.125 0.000 1.142 380 T CB -0.216 68.740 68.868 0.146 0.000 0.866 380 T HN 0.239 nan 8.240 nan 0.000 0.444 381 L N 0.500 121.816 121.223 0.155 0.000 2.017 381 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 381 L C 2.868 179.763 176.870 0.042 0.000 1.073 381 L CA 1.487 56.374 54.840 0.078 0.000 0.745 381 L CB -0.579 41.506 42.059 0.043 0.000 0.894 381 L HN 0.180 nan 8.230 nan 0.000 0.432 382 R N 0.203 120.728 120.500 0.042 0.000 2.083 382 R HA -0.220 4.120 4.340 -0.000 0.000 0.237 382 R C 2.309 178.622 176.300 0.022 0.000 1.137 382 R CA 1.859 57.971 56.100 0.019 0.000 0.951 382 R CB -0.166 30.141 30.300 0.012 0.000 0.851 382 R HN 0.446 nan 8.270 nan 0.000 0.434 383 Q N -0.425 119.396 119.800 0.035 0.000 2.046 383 Q HA -0.144 4.195 4.340 -0.000 0.000 0.200 383 Q C 2.033 178.050 176.000 0.029 0.000 0.975 383 Q CA 1.284 57.106 55.803 0.032 0.000 0.836 383 Q CB 0.053 28.815 28.738 0.039 0.000 0.896 383 Q HN 0.368 nan 8.270 nan 0.000 0.428 384 E N 0.604 120.826 120.200 0.037 0.000 2.106 384 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 384 E C 1.151 177.762 176.600 0.019 0.000 0.984 384 E CA 0.502 56.921 56.400 0.032 0.000 0.806 384 E CB -0.152 29.574 29.700 0.044 0.000 0.750 384 E HN 0.294 nan 8.360 nan 0.000 0.458 385 L N 0.000 121.231 121.223 0.013 0.000 2.949 385 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 385 L CA 0.000 54.841 54.840 0.002 0.000 0.813 385 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 385 L HN 0.000 nan 8.230 nan 0.000 0.502