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 1nse_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 67 G C 0.000 174.828 174.900 -0.120 0.000 0.946 67 G CA 0.000 45.063 45.100 -0.061 0.000 0.502 68 P HA 0.255 nan 4.420 nan 0.000 0.266 68 P C -0.184 177.067 177.300 -0.082 0.000 1.195 68 P CA -0.014 62.982 63.100 -0.173 0.000 0.768 68 P CB 0.876 32.346 31.700 -0.383 0.000 0.838 69 K N 2.762 123.008 120.400 -0.257 0.000 3.225 69 K HA 0.104 4.429 4.320 0.007 0.000 0.282 69 K C -0.902 175.198 176.600 -0.833 0.000 1.060 69 K CA 0.053 56.050 56.287 -0.482 0.000 1.186 69 K CB -0.691 31.494 32.500 -0.526 0.000 1.214 69 K HN 0.350 nan 8.250 nan 0.000 0.428 70 F N -0.417 119.565 119.950 0.053 0.000 2.603 70 F HA 0.371 4.903 4.527 0.008 0.000 0.317 70 F C -2.151 173.748 175.800 0.165 0.000 1.066 70 F CA -3.003 55.050 58.000 0.088 0.000 0.941 70 F CB 0.833 39.888 39.000 0.092 0.000 1.291 70 F HN -0.001 nan 8.300 nan 0.000 0.472 71 P HA -0.018 nan 4.420 nan 0.000 0.260 71 P C -0.663 176.709 177.300 0.120 0.000 1.172 71 P CA 0.101 63.299 63.100 0.164 0.000 0.760 71 P CB 0.385 32.155 31.700 0.117 0.000 0.773 72 R N 3.443 123.937 120.500 -0.009 0.000 2.265 72 R HA 0.374 4.719 4.340 0.007 0.000 0.314 72 R C -1.230 174.926 176.300 -0.239 0.000 1.053 72 R CA -0.470 55.396 56.100 -0.390 0.000 0.931 72 R CB 0.533 30.606 30.300 -0.378 0.000 1.024 72 R HN 0.220 nan 8.270 nan 0.000 0.457 73 V N 5.142 124.887 119.914 -0.283 0.000 2.448 73 V HA 0.365 4.489 4.120 0.007 0.000 0.295 73 V C -0.296 175.702 176.094 -0.160 0.000 1.025 73 V CA -0.754 61.468 62.300 -0.129 0.000 0.859 73 V CB 1.541 33.331 31.823 -0.054 0.000 0.988 73 V HN 0.730 nan 8.190 nan 0.000 0.431 74 K N 3.706 124.028 120.400 -0.130 0.000 2.259 74 K HA 0.447 4.771 4.320 0.007 0.000 0.249 74 K C -0.624 175.864 176.600 -0.187 0.000 0.942 74 K CA -0.717 55.413 56.287 -0.263 0.000 0.816 74 K CB 1.658 33.838 32.500 -0.534 0.000 1.155 74 K HN 0.698 nan 8.250 nan 0.000 0.428 75 N N 3.961 122.553 118.700 -0.179 0.000 2.457 75 N HA 0.094 4.839 4.740 0.007 0.000 0.250 75 N C -0.312 175.149 175.510 -0.082 0.000 0.982 75 N CA -0.326 52.715 53.050 -0.014 0.000 0.941 75 N CB 0.465 38.977 38.487 0.043 0.000 1.120 75 N HN 0.691 nan 8.380 nan 0.000 0.505 76 W N 2.099 123.473 121.300 0.123 0.000 2.678 76 W HA 0.096 4.761 4.660 0.007 0.000 0.256 76 W C 2.096 178.652 176.519 0.063 0.000 1.280 76 W CA -0.058 57.347 57.345 0.101 0.000 1.345 76 W CB 0.283 29.828 29.460 0.142 0.000 1.118 76 W HN 0.662 nan 8.180 nan 0.000 0.629 77 E N 0.497 120.841 120.200 0.239 0.000 2.112 77 E HA -0.131 4.224 4.350 0.007 0.000 0.190 77 E C 1.730 178.361 176.600 0.053 0.000 0.979 77 E CA 1.061 57.502 56.400 0.069 0.000 0.814 77 E CB -0.189 29.519 29.700 0.013 0.000 0.762 77 E HN 0.283 nan 8.360 nan 0.000 0.460 78 L N -1.014 120.238 121.223 0.049 0.000 2.515 78 L HA 0.300 4.645 4.340 0.007 0.000 0.223 78 L C 1.501 178.359 176.870 -0.021 0.000 1.079 78 L CA 0.419 55.268 54.840 0.015 0.000 0.857 78 L CB 0.543 42.613 42.059 0.019 0.000 1.050 78 L HN 0.427 nan 8.230 nan 0.000 0.476 79 G N 0.814 109.576 108.800 -0.063 0.000 2.148 79 G HA2 -0.299 3.665 3.960 0.007 0.000 0.254 79 G HA3 -0.299 3.665 3.960 0.007 0.000 0.254 79 G C 0.346 175.160 174.900 -0.145 0.000 0.981 79 G CA 0.477 45.498 45.100 -0.132 0.000 0.670 79 G HN 0.456 nan 8.290 nan 0.000 0.528 80 S N -0.244 115.387 115.700 -0.116 0.000 2.632 80 S HA 0.838 5.312 4.470 0.007 0.000 0.271 80 S C 0.021 174.536 174.600 -0.141 0.000 1.260 80 S CA -0.835 57.306 58.200 -0.098 0.000 1.010 80 S CB 2.237 65.405 63.200 -0.054 0.000 0.965 80 S HN 0.488 nan 8.310 nan 0.000 0.534 81 I N 1.967 122.462 120.570 -0.124 0.000 2.608 81 I HA 0.539 4.713 4.170 0.007 0.000 0.295 81 I C 0.083 176.113 176.117 -0.143 0.000 1.049 81 I CA -0.282 60.914 61.300 -0.173 0.000 1.063 81 I CB 1.796 39.689 38.000 -0.177 0.000 1.248 81 I HN 1.055 nan 8.210 nan 0.000 0.424 82 T N 1.676 116.102 114.554 -0.213 0.000 2.883 82 T HA 0.702 5.056 4.350 0.007 0.000 0.296 82 T C -1.285 173.229 174.700 -0.310 0.000 1.117 82 T CA -0.715 61.306 62.100 -0.132 0.000 1.006 82 T CB 1.985 70.818 68.868 -0.058 0.000 1.191 82 T HN 0.254 nan 8.240 nan 0.000 0.508 83 Y N 0.231 120.523 120.300 -0.015 0.000 2.364 83 Y HA 0.475 5.029 4.550 0.007 0.000 0.340 83 Y C 0.098 175.973 175.900 -0.040 0.000 0.975 83 Y CA -0.972 57.132 58.100 0.007 0.000 1.089 83 Y CB 1.638 40.118 38.460 0.033 0.000 1.192 83 Y HN 0.713 nan 8.280 nan 0.000 0.454 84 D N 2.075 122.548 120.400 0.122 0.000 2.365 84 D HA 0.071 4.715 4.640 0.007 0.000 0.237 84 D C 0.677 176.943 176.300 -0.057 0.000 1.190 84 D CA 0.130 54.155 54.000 0.042 0.000 0.867 84 D CB 1.241 42.095 40.800 0.090 0.000 1.050 84 D HN 0.813 nan 8.370 nan 0.000 0.491 85 T N 1.201 115.587 114.554 -0.280 0.000 3.037 85 T HA -0.063 4.292 4.350 0.007 0.000 0.251 85 T C 1.922 176.478 174.700 -0.239 0.000 1.079 85 T CA -0.211 61.546 62.100 -0.572 0.000 1.067 85 T CB 0.088 68.429 68.868 -0.880 0.000 0.948 85 T HN 0.269 nan 8.240 nan 0.000 0.496 86 L N 2.426 123.561 121.223 -0.146 0.000 2.131 86 L HA -0.005 4.339 4.340 0.007 0.000 0.210 86 L C 2.624 179.375 176.870 -0.197 0.000 1.092 86 L CA 1.343 56.136 54.840 -0.079 0.000 0.759 86 L CB -0.860 41.231 42.059 0.054 0.000 0.903 86 L HN 0.670 nan 8.230 nan 0.000 0.435 87 C N -1.802 117.202 119.300 -0.493 0.000 2.422 87 C HA 0.091 4.556 4.460 0.007 0.000 0.286 87 C C 2.827 177.623 174.990 -0.324 0.000 1.412 87 C CA 0.048 58.513 59.018 -0.921 0.000 1.786 87 C CB -2.166 24.964 27.740 -1.017 0.000 1.835 87 C HN 0.579 nan 8.230 nan 0.000 0.533 88 A N 0.511 123.269 122.820 -0.103 0.000 1.978 88 A HA -0.159 4.166 4.320 0.007 0.000 0.220 88 A C 2.271 179.851 177.584 -0.007 0.000 1.170 88 A CA 1.808 53.856 52.037 0.018 0.000 0.636 88 A CB -0.471 18.621 19.000 0.153 0.000 0.810 88 A HN 0.675 nan 8.150 nan 0.000 0.448 89 Q N 0.180 119.965 119.800 -0.026 0.000 2.435 89 Q HA 0.053 4.398 4.340 0.007 0.000 0.207 89 Q C 1.048 177.063 176.000 0.025 0.000 0.956 89 Q CA 0.557 56.367 55.803 0.011 0.000 0.917 89 Q CB -0.696 28.058 28.738 0.027 0.000 0.997 89 Q HN 0.536 nan 8.270 nan 0.000 0.497 90 S N 0.878 116.580 115.700 0.004 0.000 2.546 90 S HA -0.048 4.426 4.470 0.007 0.000 0.290 90 S C 0.807 175.433 174.600 0.043 0.000 1.290 90 S CA 0.143 58.376 58.200 0.055 0.000 1.069 90 S CB 0.538 63.774 63.200 0.061 0.000 0.846 90 S HN 0.074 nan 8.310 nan 0.000 0.495 91 Q N 1.549 121.381 119.800 0.054 0.000 2.185 91 Q HA 0.333 4.678 4.340 0.007 0.000 0.234 91 Q C -0.439 175.584 176.000 0.039 0.000 0.819 91 Q CA 0.216 56.044 55.803 0.042 0.000 0.961 91 Q CB 0.666 29.431 28.738 0.045 0.000 1.140 91 Q HN 0.756 nan 8.270 nan 0.000 0.492 92 Q N 1.064 120.891 119.800 0.045 0.000 2.333 92 Q HA 0.308 4.653 4.340 0.007 0.000 0.267 92 Q C -1.403 174.623 176.000 0.044 0.000 1.012 92 Q CA -0.401 55.425 55.803 0.038 0.000 0.824 92 Q CB 1.246 30.002 28.738 0.030 0.000 1.290 92 Q HN -0.150 nan 8.270 nan 0.000 0.449 93 D N 2.437 122.858 120.400 0.036 0.000 2.390 93 D HA 0.367 5.011 4.640 0.007 0.000 0.249 93 D C 0.288 176.611 176.300 0.039 0.000 1.144 93 D CA 0.460 54.482 54.000 0.037 0.000 0.880 93 D CB 1.107 41.924 40.800 0.028 0.000 1.182 93 D HN 0.672 nan 8.370 nan 0.000 0.451 94 G N 1.781 110.610 108.800 0.047 0.000 2.508 94 G HA2 0.281 4.245 3.960 0.007 0.000 0.278 94 G HA3 0.281 4.245 3.960 0.007 0.000 0.278 94 G C -1.617 173.306 174.900 0.038 0.000 1.389 94 G CA -0.645 44.482 45.100 0.045 0.000 1.050 94 G HN 0.350 nan 8.290 nan 0.000 0.522 95 P HA 0.171 nan 4.420 nan 0.000 0.251 95 P C 0.225 177.545 177.300 0.033 0.000 1.223 95 P CA -0.073 63.048 63.100 0.035 0.000 0.796 95 P CB 0.182 31.905 31.700 0.039 0.000 1.068 96 C N 0.766 120.088 119.300 0.036 0.000 2.459 96 C HA 0.628 5.093 4.460 0.007 0.000 0.374 96 C C 1.082 176.088 174.990 0.026 0.000 1.241 96 C CA 0.136 59.173 59.018 0.032 0.000 2.352 96 C CB 0.929 28.692 27.740 0.037 0.000 2.490 96 C HN 0.332 nan 8.230 nan 0.000 0.583 97 T N -1.356 113.210 114.554 0.021 0.000 2.865 97 T HA 0.444 4.799 4.350 0.007 0.000 0.294 97 T C -2.391 172.317 174.700 0.013 0.000 1.119 97 T CA -1.205 60.905 62.100 0.016 0.000 1.007 97 T CB 1.277 70.152 68.868 0.013 0.000 1.225 97 T HN 0.291 nan 8.240 nan 0.000 0.515 98 P HA 0.022 nan 4.420 nan 0.000 0.221 98 P C 1.428 178.732 177.300 0.006 0.000 1.145 98 P CA 0.709 63.813 63.100 0.007 0.000 0.795 98 P CB 0.146 31.848 31.700 0.004 0.000 0.775 99 R N -0.657 119.847 120.500 0.007 0.000 2.100 99 R HA 0.075 4.419 4.340 0.007 0.000 0.220 99 R C 0.842 177.145 176.300 0.006 0.000 1.091 99 R CA 0.814 56.917 56.100 0.005 0.000 0.986 99 R CB -0.056 30.247 30.300 0.005 0.000 0.888 99 R HN 0.238 nan 8.270 nan 0.000 0.444 100 R N 0.021 120.526 120.500 0.008 0.000 2.594 100 R HA 0.150 4.494 4.340 0.007 0.000 0.265 100 R C -1.485 174.823 176.300 0.013 0.000 1.070 100 R CA -0.749 55.356 56.100 0.009 0.000 0.909 100 R CB 0.226 30.531 30.300 0.009 0.000 1.243 100 R HN 0.025 nan 8.270 nan 0.000 0.455 101 C N 3.687 122.994 119.300 0.012 0.000 2.347 101 C HA 0.539 5.003 4.460 0.007 0.000 0.353 101 C C 0.365 175.370 174.990 0.024 0.000 1.273 101 C CA -0.587 58.442 59.018 0.018 0.000 1.861 101 C CB -0.559 27.188 27.740 0.011 0.000 2.420 101 C HN 0.673 nan 8.230 nan 0.000 0.542 102 L N 6.187 127.429 121.223 0.033 0.000 2.965 102 L HA 0.338 4.682 4.340 0.007 0.000 0.254 102 L C 2.042 178.945 176.870 0.055 0.000 1.220 102 L CA 0.790 55.655 54.840 0.040 0.000 1.023 102 L CB -0.292 41.790 42.059 0.038 0.000 1.355 102 L HN 1.064 nan 8.230 nan 0.000 0.545 103 G N -0.482 108.353 108.800 0.057 0.000 2.462 103 G HA2 -0.273 3.692 3.960 0.007 0.000 0.220 103 G HA3 -0.273 3.692 3.960 0.007 0.000 0.220 103 G C 1.484 176.451 174.900 0.111 0.000 1.121 103 G CA 1.132 46.278 45.100 0.078 0.000 0.758 103 G HN 0.522 nan 8.290 nan 0.000 0.559 104 S N -0.254 115.509 115.700 0.106 0.000 2.593 104 S HA 0.348 4.823 4.470 0.007 0.000 0.217 104 S C 0.794 175.480 174.600 0.143 0.000 0.966 104 S CA -0.507 57.776 58.200 0.138 0.000 0.914 104 S CB -0.124 63.137 63.200 0.103 0.000 0.776 104 S HN 0.119 nan 8.310 nan 0.000 0.523 105 L N 1.958 123.251 121.223 0.118 0.000 2.331 105 L HA 0.282 4.627 4.340 0.007 0.000 0.278 105 L C 1.456 178.415 176.870 0.148 0.000 1.106 105 L CA -0.403 54.502 54.840 0.109 0.000 0.824 105 L CB 1.153 43.256 42.059 0.074 0.000 1.142 105 L HN 0.051 nan 8.230 nan 0.000 0.443 106 V N 4.506 124.516 119.914 0.161 0.000 2.270 106 V HA -0.152 3.973 4.120 0.007 0.000 0.245 106 V C 0.910 177.080 176.094 0.127 0.000 1.043 106 V CA 1.423 63.852 62.300 0.215 0.000 1.014 106 V CB -0.130 31.813 31.823 0.199 0.000 0.645 106 V HN 0.551 nan 8.190 nan 0.000 0.447 107 L N 2.450 123.707 121.223 0.055 0.000 2.433 107 L HA 0.419 4.763 4.340 0.007 0.000 0.256 107 L C -2.396 174.500 176.870 0.044 0.000 1.063 107 L CA -1.305 53.553 54.840 0.030 0.000 0.922 107 L CB 1.111 43.128 42.059 -0.071 0.000 1.238 107 L HN 0.194 nan 8.230 nan 0.000 0.466 108 P HA 0.225 nan 4.420 nan 0.000 0.276 108 P C -0.302 177.027 177.300 0.048 0.000 1.261 108 P CA -0.665 62.465 63.100 0.049 0.000 0.800 108 P CB 1.159 32.890 31.700 0.052 0.000 1.066 109 R N 0.995 121.516 120.500 0.035 0.000 4.263 109 R HA 0.115 4.459 4.340 0.007 0.000 0.248 109 R C 0.633 176.954 176.300 0.035 0.000 1.796 109 R CA 0.057 56.178 56.100 0.034 0.000 1.518 109 R CB -0.041 30.271 30.300 0.020 0.000 1.342 109 R HN 0.303 nan 8.270 nan 0.000 0.706 110 K N -0.068 120.358 120.400 0.044 0.000 2.517 110 K HA 0.068 4.392 4.320 0.007 0.000 0.210 110 K C 0.478 177.098 176.600 0.032 0.000 1.166 110 K CA 0.014 56.322 56.287 0.035 0.000 1.030 110 K CB 0.893 33.413 32.500 0.033 0.000 0.974 110 K HN 0.137 nan 8.250 nan 0.000 0.585 111 L N 0.938 122.193 121.223 0.054 0.000 2.966 111 L HA 0.237 4.581 4.340 0.007 0.000 0.262 111 L C -0.018 176.891 176.870 0.065 0.000 1.165 111 L CA 0.229 55.084 54.840 0.026 0.000 0.978 111 L CB 0.677 42.737 42.059 0.002 0.000 1.337 111 L HN -0.011 nan 8.230 nan 0.000 0.563 112 Q N 0.527 120.397 119.800 0.116 0.000 2.271 112 Q HA 0.474 4.818 4.340 0.007 0.000 0.258 112 Q C -1.008 175.030 176.000 0.063 0.000 0.936 112 Q CA -0.382 55.505 55.803 0.140 0.000 0.909 112 Q CB 1.300 30.120 28.738 0.137 0.000 1.253 112 Q HN 0.315 nan 8.270 nan 0.000 0.440 113 T N 2.486 117.071 114.554 0.053 0.000 2.832 113 T HA 0.452 4.807 4.350 0.007 0.000 0.313 113 T C -0.017 174.687 174.700 0.007 0.000 1.035 113 T CA -0.868 61.244 62.100 0.021 0.000 0.950 113 T CB 0.616 69.490 68.868 0.010 0.000 0.984 113 T HN 0.555 nan 8.240 nan 0.000 0.486 114 R N 3.109 123.607 120.500 -0.003 0.000 2.924 114 R HA 0.238 4.583 4.340 0.007 0.000 0.272 114 R C -2.131 174.153 176.300 -0.026 0.000 1.012 114 R CA -1.043 55.045 56.100 -0.021 0.000 1.171 114 R CB -0.178 30.110 30.300 -0.019 0.000 1.086 114 R HN 0.437 nan 8.270 nan 0.000 0.489 115 P HA 0.176 nan 4.420 nan 0.000 0.296 115 P C -1.363 175.920 177.300 -0.028 0.000 1.306 115 P CA -0.546 62.532 63.100 -0.036 0.000 0.818 115 P CB 1.583 33.253 31.700 -0.050 0.000 0.969 116 S N 3.749 119.434 115.700 -0.025 0.000 2.485 116 S HA 0.250 4.724 4.470 0.007 0.000 0.312 116 S C -1.263 173.326 174.600 -0.019 0.000 1.102 116 S CA -0.994 57.193 58.200 -0.021 0.000 1.066 116 S CB -0.029 63.157 63.200 -0.024 0.000 1.102 116 S HN 0.394 nan 8.310 nan 0.000 0.519 117 P HA 0.088 nan 4.420 nan 0.000 0.223 117 P C 0.667 177.963 177.300 -0.008 0.000 1.151 117 P CA 0.666 63.759 63.100 -0.011 0.000 0.787 117 P CB -0.092 31.602 31.700 -0.010 0.000 0.788 118 G N 0.940 109.735 108.800 -0.009 0.000 2.448 118 G HA2 0.527 4.491 3.960 0.007 0.000 0.324 118 G HA3 0.527 4.491 3.960 0.007 0.000 0.324 118 G C -2.959 171.936 174.900 -0.009 0.000 1.203 118 G CA -1.513 43.583 45.100 -0.006 0.000 0.954 118 G HN -0.135 nan 8.290 nan 0.000 0.480 119 P HA 0.183 nan 4.420 nan 0.000 0.267 119 P C -2.337 174.960 177.300 -0.005 0.000 1.205 119 P CA -0.867 62.227 63.100 -0.009 0.000 0.765 119 P CB 0.296 31.994 31.700 -0.002 0.000 0.828 120 P HA 0.090 nan 4.420 nan 0.000 0.264 120 P C -2.307 174.998 177.300 0.008 0.000 1.193 120 P CA -1.032 62.068 63.100 -0.000 0.000 0.763 120 P CB -0.964 30.735 31.700 -0.001 0.000 0.810 121 P HA -0.095 nan 4.420 nan 0.000 0.258 121 P C 1.060 178.369 177.300 0.016 0.000 1.172 121 P CA 0.425 63.532 63.100 0.011 0.000 0.762 121 P CB 0.212 31.917 31.700 0.009 0.000 0.764 122 A N 4.909 127.739 122.820 0.017 0.000 1.929 122 A HA -0.311 4.013 4.320 0.007 0.000 0.221 122 A C 1.999 179.592 177.584 0.016 0.000 1.211 122 A CA 2.303 54.352 52.037 0.020 0.000 0.657 122 A CB -1.076 17.934 19.000 0.017 0.000 0.827 122 A HN 0.528 nan 8.150 nan 0.000 0.462 123 E N -1.066 119.141 120.200 0.011 0.000 2.152 123 E HA -0.150 4.204 4.350 0.007 0.000 0.192 123 E C 2.172 178.780 176.600 0.013 0.000 0.983 123 E CA 1.407 57.812 56.400 0.008 0.000 0.818 123 E CB -0.201 29.503 29.700 0.006 0.000 0.758 123 E HN 0.893 nan 8.360 nan 0.000 0.467 124 Q N 0.576 120.386 119.800 0.016 0.000 2.123 124 Q HA -0.079 4.266 4.340 0.007 0.000 0.199 124 Q C 2.025 178.043 176.000 0.030 0.000 0.966 124 Q CA 1.079 56.894 55.803 0.020 0.000 0.845 124 Q CB -0.263 28.485 28.738 0.017 0.000 0.907 124 Q HN 0.326 nan 8.270 nan 0.000 0.439 125 L N -0.269 120.975 121.223 0.035 0.000 2.017 125 L HA -0.146 4.199 4.340 0.007 0.000 0.208 125 L C 2.040 178.942 176.870 0.052 0.000 1.073 125 L CA 1.060 55.936 54.840 0.061 0.000 0.745 125 L CB -0.334 41.770 42.059 0.074 0.000 0.894 125 L HN 0.410 nan 8.230 nan 0.000 0.432 126 L N -0.143 121.089 121.223 0.015 0.000 2.046 126 L HA -0.177 4.167 4.340 0.007 0.000 0.208 126 L C 2.957 179.822 176.870 -0.007 0.000 1.077 126 L CA 2.150 56.974 54.840 -0.026 0.000 0.747 126 L CB -1.168 40.873 42.059 -0.030 0.000 0.896 126 L HN 0.393 nan 8.230 nan 0.000 0.432 127 S N -1.434 114.275 115.700 0.015 0.000 2.368 127 S HA -0.264 4.210 4.470 0.007 0.000 0.225 127 S C 1.848 176.481 174.600 0.055 0.000 1.030 127 S CA 1.095 59.312 58.200 0.028 0.000 0.999 127 S CB -0.556 62.660 63.200 0.027 0.000 0.844 127 S HN 0.510 nan 8.310 nan 0.000 0.459 128 Q N 1.153 120.994 119.800 0.068 0.000 2.084 128 Q HA 0.014 4.358 4.340 0.007 0.000 0.202 128 Q C 2.600 178.697 176.000 0.161 0.000 0.978 128 Q CA 1.405 57.270 55.803 0.104 0.000 0.844 128 Q CB -0.503 28.290 28.738 0.091 0.000 0.898 128 Q HN 0.754 nan 8.270 nan 0.000 0.426 129 A N 1.101 123.994 122.820 0.120 0.000 1.898 129 A HA -0.174 4.150 4.320 0.007 0.000 0.216 129 A C 1.968 179.612 177.584 0.100 0.000 1.181 129 A CA 1.202 53.297 52.037 0.096 0.000 0.620 129 A CB -0.326 18.494 19.000 -0.300 0.000 0.819 129 A HN 0.211 nan 8.150 nan 0.000 0.442 130 R N -0.455 120.070 120.500 0.042 0.000 2.092 130 R HA -0.133 4.211 4.340 0.007 0.000 0.231 130 R C 1.976 178.345 176.300 0.116 0.000 1.119 130 R CA 1.537 57.671 56.100 0.057 0.000 0.970 130 R CB -0.463 29.848 30.300 0.019 0.000 0.864 130 R HN 0.733 nan 8.270 nan 0.000 0.440 131 D N 0.243 120.721 120.400 0.130 0.000 2.117 131 D HA -0.214 4.431 4.640 0.007 0.000 0.197 131 D C 1.634 178.055 176.300 0.202 0.000 0.987 131 D CA 0.955 55.043 54.000 0.147 0.000 0.829 131 D CB -0.046 40.836 40.800 0.137 0.000 0.961 131 D HN 0.170 nan 8.370 nan 0.000 0.460 132 F N 0.689 120.724 119.950 0.142 0.000 2.186 132 F HA -0.026 4.504 4.527 0.006 0.000 0.299 132 F C 1.866 177.810 175.800 0.239 0.000 1.090 132 F CA 0.915 59.034 58.000 0.197 0.000 1.307 132 F CB -0.144 38.978 39.000 0.203 0.000 1.019 132 F HN -0.000 nan 8.300 nan 0.000 0.489 133 I N 0.926 121.513 120.570 0.029 0.000 2.315 133 I HA -0.269 3.906 4.170 0.007 0.000 0.248 133 I C 1.801 177.957 176.117 0.065 0.000 1.117 133 I CA 1.048 62.350 61.300 0.003 0.000 1.404 133 I CB -1.496 36.617 38.000 0.189 0.000 1.071 133 I HN 0.220 nan 8.210 nan 0.000 0.419 134 N N 0.958 119.726 118.700 0.113 0.000 2.166 134 N HA -0.187 4.557 4.740 0.007 0.000 0.186 134 N C 1.811 177.281 175.510 -0.065 0.000 1.019 134 N CA 1.016 54.117 53.050 0.085 0.000 0.856 134 N CB -0.311 38.263 38.487 0.144 0.000 0.993 134 N HN 0.502 nan 8.380 nan 0.000 0.426 135 Q N -0.602 119.163 119.800 -0.058 0.000 2.084 135 Q HA -0.164 4.181 4.340 0.007 0.000 0.202 135 Q C 1.726 177.529 176.000 -0.328 0.000 0.978 135 Q CA 1.169 56.943 55.803 -0.048 0.000 0.844 135 Q CB -0.244 28.604 28.738 0.183 0.000 0.898 135 Q HN 0.457 nan 8.270 nan 0.000 0.426 136 Y N -0.012 119.877 120.300 -0.685 0.000 2.145 136 Y HA -0.291 4.262 4.550 0.006 0.000 0.286 136 Y C 1.697 177.074 175.900 -0.870 0.000 1.145 136 Y CA 1.591 59.036 58.100 -1.090 0.000 1.148 136 Y CB -0.378 37.498 38.460 -0.973 0.000 0.981 136 Y HN 0.081 nan 8.280 nan 0.000 0.507 137 Y N -0.460 119.453 120.300 -0.645 0.000 2.293 137 Y HA -0.185 4.370 4.550 0.008 0.000 0.291 137 Y C 2.767 178.333 175.900 -0.557 0.000 1.137 137 Y CA 1.654 59.344 58.100 -0.683 0.000 1.202 137 Y CB -0.557 37.343 38.460 -0.934 0.000 0.990 137 Y HN 0.071 nan 8.280 nan 0.000 0.537 138 S N -0.608 114.891 115.700 -0.334 0.000 2.382 138 S HA -0.226 4.249 4.470 0.007 0.000 0.228 138 S C 2.284 176.716 174.600 -0.281 0.000 1.027 138 S CA 1.439 59.502 58.200 -0.228 0.000 0.991 138 S CB -0.616 62.504 63.200 -0.133 0.000 0.823 138 S HN 0.641 nan 8.310 nan 0.000 0.469 139 S N 2.398 117.831 115.700 -0.444 0.000 2.402 139 S HA -0.049 4.425 4.470 0.007 0.000 0.229 139 S C 1.658 176.014 174.600 -0.407 0.000 1.021 139 S CA 1.082 59.043 58.200 -0.399 0.000 0.974 139 S CB -0.757 62.087 63.200 -0.594 0.000 0.800 139 S HN 0.718 nan 8.310 nan 0.000 0.484 140 I N -2.955 117.266 120.570 -0.582 0.000 3.875 140 I HA 0.391 4.566 4.170 0.007 0.000 0.329 140 I C -0.340 175.617 176.117 -0.266 0.000 1.295 140 I CA -0.476 60.560 61.300 -0.439 0.000 1.129 140 I CB -0.154 37.493 38.000 -0.588 0.000 1.008 140 I HN -0.115 nan 8.210 nan 0.000 0.413 141 K N 2.415 122.678 120.400 -0.228 0.000 3.150 141 K HA -0.142 4.182 4.320 0.007 0.000 0.267 141 K C -0.198 176.351 176.600 -0.085 0.000 1.028 141 K CA 0.486 56.695 56.287 -0.130 0.000 0.753 141 K CB -1.639 30.803 32.500 -0.096 0.000 1.288 141 K HN 0.616 nan 8.250 nan 0.000 0.473 142 R N -0.734 119.723 120.500 -0.071 0.000 2.668 142 R HA 0.082 4.426 4.340 0.007 0.000 0.435 142 R C 0.196 176.521 176.300 0.043 0.000 1.059 142 R CA -0.322 55.791 56.100 0.022 0.000 1.073 142 R CB 0.990 31.357 30.300 0.113 0.000 1.401 142 R HN 0.185 nan 8.270 nan 0.000 0.590 143 S N -0.180 115.515 115.700 -0.007 0.000 2.549 143 S HA 0.317 4.791 4.470 0.007 0.000 0.283 143 S C 1.393 176.095 174.600 0.170 0.000 1.320 143 S CA 1.466 59.699 58.200 0.055 0.000 1.058 143 S CB 0.549 63.753 63.200 0.008 0.000 0.882 143 S HN 0.729 nan 8.310 nan 0.000 0.498 144 G N 2.997 112.017 108.800 0.366 0.000 2.241 144 G HA2 -0.296 3.668 3.960 0.007 0.000 0.244 144 G HA3 -0.296 3.668 3.960 0.007 0.000 0.244 144 G C 0.382 175.290 174.900 0.013 0.000 0.998 144 G CA 0.523 45.674 45.100 0.084 0.000 0.621 144 G HN 1.734 nan 8.290 nan 0.000 0.519 145 S N 0.501 116.233 115.700 0.053 0.000 2.587 145 S HA 0.385 4.859 4.470 0.007 0.000 0.260 145 S C 1.754 176.326 174.600 -0.046 0.000 1.353 145 S CA 0.856 59.059 58.200 0.006 0.000 0.995 145 S CB 1.235 64.454 63.200 0.032 0.000 0.912 145 S HN 0.985 nan 8.310 nan 0.000 0.568 146 Q N 1.349 121.128 119.800 -0.036 0.000 2.119 146 Q HA -0.066 4.278 4.340 0.007 0.000 0.201 146 Q C 2.149 178.114 176.000 -0.058 0.000 0.972 146 Q CA 1.915 57.689 55.803 -0.048 0.000 0.847 146 Q CB -1.375 27.349 28.738 -0.024 0.000 0.903 146 Q HN 0.889 nan 8.270 nan 0.000 0.433 147 A N 1.513 124.315 122.820 -0.031 0.000 1.933 147 A HA -0.238 4.087 4.320 0.007 0.000 0.218 147 A C 2.130 179.573 177.584 -0.235 0.000 1.175 147 A CA 1.616 53.642 52.037 -0.018 0.000 0.628 147 A CB -1.171 17.909 19.000 0.133 0.000 0.814 147 A HN 0.733 nan 8.150 nan 0.000 0.444 148 H N -0.816 117.909 119.070 -0.575 0.000 2.270 148 H HA -0.123 4.438 4.556 0.008 0.000 0.299 148 H C 1.962 176.987 175.328 -0.504 0.000 1.077 148 H CA 1.275 56.705 56.048 -1.030 0.000 1.294 148 H CB 0.077 29.396 29.762 -0.739 0.000 1.371 148 H HN 0.366 nan 8.280 nan 0.000 0.491 149 E N 0.722 120.725 120.200 -0.328 0.000 2.160 149 E HA -0.173 4.181 4.350 0.007 0.000 0.195 149 E C 2.108 178.606 176.600 -0.169 0.000 0.991 149 E CA 1.042 57.270 56.400 -0.286 0.000 0.810 149 E CB -0.171 29.406 29.700 -0.206 0.000 0.742 149 E HN 0.664 nan 8.360 nan 0.000 0.466 150 E N 0.108 120.233 120.200 -0.124 0.000 2.072 150 E HA -0.162 4.192 4.350 0.007 0.000 0.191 150 E C 2.158 178.738 176.600 -0.034 0.000 0.985 150 E CA 0.888 57.252 56.400 -0.060 0.000 0.801 150 E CB -0.011 29.673 29.700 -0.027 0.000 0.750 150 E HN -0.062 nan 8.360 nan 0.000 0.452 151 R N 0.962 121.440 120.500 -0.038 0.000 2.081 151 R HA -0.096 4.248 4.340 0.007 0.000 0.235 151 R C 2.055 178.371 176.300 0.027 0.000 1.131 151 R CA 1.140 57.272 56.100 0.053 0.000 0.960 151 R CB -0.515 29.898 30.300 0.188 0.000 0.856 151 R HN 0.142 nan 8.270 nan 0.000 0.436 152 L N 0.178 121.383 121.223 -0.029 0.000 2.042 152 L HA -0.240 4.105 4.340 0.007 0.000 0.210 152 L C 2.683 179.522 176.870 -0.053 0.000 1.076 152 L CA 1.741 56.554 54.840 -0.046 0.000 0.749 152 L CB -0.453 41.541 42.059 -0.109 0.000 0.893 152 L HN 0.385 nan 8.230 nan 0.000 0.432 153 Q N -0.533 119.235 119.800 -0.053 0.000 2.084 153 Q HA -0.268 4.076 4.340 0.007 0.000 0.202 153 Q C 2.189 178.178 176.000 -0.018 0.000 0.978 153 Q CA 1.649 57.428 55.803 -0.040 0.000 0.844 153 Q CB -0.047 28.668 28.738 -0.039 0.000 0.898 153 Q HN 0.469 nan 8.270 nan 0.000 0.426 154 E N -0.238 119.963 120.200 0.001 0.000 2.085 154 E HA -0.183 4.171 4.350 0.007 0.000 0.194 154 E C 1.893 178.509 176.600 0.027 0.000 0.994 154 E CA 1.222 57.639 56.400 0.028 0.000 0.801 154 E CB 0.204 29.937 29.700 0.055 0.000 0.743 154 E HN 0.152 nan 8.360 nan 0.000 0.453 155 V N 2.127 122.033 119.914 -0.013 0.000 2.453 155 V HA -0.220 3.904 4.120 0.007 0.000 0.247 155 V C 2.213 178.247 176.094 -0.100 0.000 1.048 155 V CA 2.041 64.282 62.300 -0.097 0.000 1.049 155 V CB -0.534 31.119 31.823 -0.282 0.000 0.672 155 V HN 0.362 nan 8.190 nan 0.000 0.457 156 E N 1.407 121.562 120.200 -0.075 0.000 2.106 156 E HA -0.190 4.164 4.350 0.007 0.000 0.192 156 E C 2.275 178.866 176.600 -0.015 0.000 0.984 156 E CA 1.491 57.859 56.400 -0.052 0.000 0.806 156 E CB -0.433 29.240 29.700 -0.045 0.000 0.750 156 E HN 0.558 nan 8.360 nan 0.000 0.458 157 A N 2.256 125.076 122.820 -0.001 0.000 1.873 157 A HA -0.215 4.109 4.320 0.007 0.000 0.215 157 A C 2.109 179.718 177.584 0.041 0.000 1.186 157 A CA 1.473 53.521 52.037 0.019 0.000 0.616 157 A CB -0.456 18.557 19.000 0.022 0.000 0.823 157 A HN 0.226 nan 8.150 nan 0.000 0.442 158 E N -0.258 119.981 120.200 0.065 0.000 2.049 158 E HA -0.170 4.184 4.350 0.007 0.000 0.198 158 E C 1.996 178.658 176.600 0.103 0.000 1.007 158 E CA 1.546 58.011 56.400 0.109 0.000 0.809 158 E CB -0.426 29.385 29.700 0.185 0.000 0.749 158 E HN 0.382 nan 8.360 nan 0.000 0.450 159 V N 1.473 121.438 119.914 0.085 0.000 2.407 159 V HA -0.255 3.869 4.120 0.007 0.000 0.248 159 V C 2.366 178.489 176.094 0.049 0.000 1.055 159 V CA 1.728 64.074 62.300 0.077 0.000 1.049 159 V CB -0.716 31.135 31.823 0.047 0.000 0.662 159 V HN 0.322 nan 8.190 nan 0.000 0.455 160 A N 0.245 123.085 122.820 0.033 0.000 1.978 160 A HA -0.208 4.117 4.320 0.007 0.000 0.220 160 A C 2.482 180.084 177.584 0.029 0.000 1.170 160 A CA 2.434 54.486 52.037 0.024 0.000 0.636 160 A CB -0.442 18.567 19.000 0.015 0.000 0.810 160 A HN 0.688 nan 8.150 nan 0.000 0.448 161 S N -2.099 113.624 115.700 0.040 0.000 2.527 161 S HA -0.017 4.457 4.470 0.007 0.000 0.227 161 S C 1.562 176.189 174.600 0.045 0.000 1.059 161 S CA 1.231 59.454 58.200 0.039 0.000 0.919 161 S CB -0.388 62.836 63.200 0.039 0.000 0.805 161 S HN 0.759 nan 8.310 nan 0.000 0.500 162 T N -3.348 111.241 114.554 0.059 0.000 3.040 162 T HA 0.523 4.878 4.350 0.007 0.000 0.266 162 T C 1.560 176.294 174.700 0.057 0.000 1.005 162 T CA 0.821 62.958 62.100 0.063 0.000 0.906 162 T CB 0.137 69.057 68.868 0.088 0.000 1.082 162 T HN 1.233 nan 8.240 nan 0.000 0.531 163 G N 0.340 109.173 108.800 0.054 0.000 2.184 163 G HA2 -0.250 3.715 3.960 0.007 0.000 0.264 163 G HA3 -0.250 3.715 3.960 0.007 0.000 0.264 163 G C 0.223 175.156 174.900 0.055 0.000 0.975 163 G CA 0.647 45.774 45.100 0.046 0.000 0.642 163 G HN 0.945 nan 8.290 nan 0.000 0.536 164 T N -1.352 113.244 114.554 0.069 0.000 2.669 164 T HA 0.751 5.105 4.350 0.007 0.000 0.283 164 T C -1.023 173.769 174.700 0.152 0.000 1.019 164 T CA 0.352 62.485 62.100 0.054 0.000 1.039 164 T CB 1.480 70.304 68.868 -0.073 0.000 1.374 164 T HN 1.395 nan 8.240 nan 0.000 0.523 165 Y N -1.007 119.193 120.300 -0.166 0.000 2.725 165 Y HA 0.747 5.301 4.550 0.007 0.000 0.333 165 Y C -1.345 174.348 175.900 -0.345 0.000 1.242 165 Y CA -1.171 56.870 58.100 -0.098 0.000 1.059 165 Y CB 0.923 39.381 38.460 -0.003 0.000 1.306 165 Y HN 0.644 nan 8.280 nan 0.000 0.454 166 H N 1.232 120.339 119.070 0.062 0.000 2.768 166 H HA 0.551 5.112 4.556 0.007 0.000 0.371 166 H C -1.174 174.201 175.328 0.079 0.000 1.151 166 H CA -0.846 55.178 56.048 -0.040 0.000 1.165 166 H CB 2.626 32.401 29.762 0.023 0.000 1.722 166 H HN 0.634 nan 8.280 nan 0.000 0.543 167 L N 2.510 123.816 121.223 0.138 0.000 2.350 167 L HA 0.361 4.705 4.340 0.007 0.000 0.275 167 L C 0.956 177.901 176.870 0.125 0.000 1.099 167 L CA -0.638 54.301 54.840 0.166 0.000 0.808 167 L CB 0.779 42.914 42.059 0.126 0.000 1.149 167 L HN 0.354 nan 8.230 nan 0.000 0.442 168 R N 1.557 122.107 120.500 0.084 0.000 2.738 168 R HA -0.015 4.329 4.340 0.007 0.000 0.268 168 R C 1.166 177.460 176.300 -0.010 0.000 1.062 168 R CA -0.325 55.789 56.100 0.024 0.000 1.158 168 R CB 0.705 30.992 30.300 -0.020 0.000 1.046 168 R HN 0.704 nan 8.270 nan 0.000 0.493 169 E N 1.428 121.622 120.200 -0.009 0.000 2.097 169 E HA -0.255 4.099 4.350 0.007 0.000 0.196 169 E C 1.338 177.922 176.600 -0.026 0.000 1.000 169 E CA 2.215 58.604 56.400 -0.019 0.000 0.804 169 E CB 0.073 29.766 29.700 -0.012 0.000 0.740 169 E HN 0.680 nan 8.360 nan 0.000 0.454 170 S N -0.212 115.465 115.700 -0.039 0.000 2.461 170 S HA -0.077 4.397 4.470 0.007 0.000 0.228 170 S C 1.705 176.284 174.600 -0.035 0.000 1.005 170 S CA 0.814 59.013 58.200 -0.002 0.000 0.942 170 S CB -0.092 63.133 63.200 0.041 0.000 0.776 170 S HN 0.335 nan 8.310 nan 0.000 0.514 171 E N 0.981 121.038 120.200 -0.238 0.000 2.072 171 E HA -0.062 4.292 4.350 0.007 0.000 0.191 171 E C 1.992 178.714 176.600 0.204 0.000 0.985 171 E CA 1.119 57.423 56.400 -0.159 0.000 0.801 171 E CB -0.323 29.278 29.700 -0.165 0.000 0.750 171 E HN 0.451 nan 8.360 nan 0.000 0.452 172 L N 0.814 122.069 121.223 0.054 0.000 2.046 172 L HA -0.147 4.198 4.340 0.007 0.000 0.208 172 L C 2.203 179.057 176.870 -0.027 0.000 1.077 172 L CA 1.347 56.158 54.840 -0.048 0.000 0.747 172 L CB -0.265 41.710 42.059 -0.140 0.000 0.896 172 L HN -0.072 nan 8.230 nan 0.000 0.432 173 V N -0.414 119.518 119.914 0.030 0.000 2.407 173 V HA -0.293 3.831 4.120 0.007 0.000 0.248 173 V C 2.308 178.495 176.094 0.155 0.000 1.055 173 V CA 2.081 64.413 62.300 0.053 0.000 1.049 173 V CB -0.890 30.967 31.823 0.057 0.000 0.662 173 V HN 0.596 nan 8.190 nan 0.000 0.455 174 F N 2.004 122.032 119.950 0.130 0.000 2.113 174 F HA 0.041 4.572 4.527 0.006 0.000 0.297 174 F C 2.180 178.113 175.800 0.221 0.000 1.103 174 F CA 1.651 59.782 58.000 0.218 0.000 1.248 174 F CB -0.913 38.292 39.000 0.342 0.000 0.999 174 F HN 0.119 nan 8.300 nan 0.000 0.475 175 G N -0.125 108.734 108.800 0.098 0.000 2.422 175 G HA2 -0.201 3.764 3.960 0.007 0.000 0.218 175 G HA3 -0.201 3.764 3.960 0.007 0.000 0.218 175 G C 1.784 176.524 174.900 -0.266 0.000 1.146 175 G CA 0.815 45.841 45.100 -0.124 0.000 0.769 175 G HN 0.632 nan 8.290 nan 0.000 0.547 176 A N 0.801 123.508 122.820 -0.188 0.000 1.897 176 A HA 0.077 4.401 4.320 0.007 0.000 0.215 176 A C 2.293 179.851 177.584 -0.043 0.000 1.181 176 A CA 1.773 53.700 52.037 -0.184 0.000 0.620 176 A CB -0.289 18.636 19.000 -0.124 0.000 0.821 176 A HN 0.355 nan 8.150 nan 0.000 0.443 177 K N -0.957 119.472 120.400 0.048 0.000 2.147 177 K HA -0.168 4.157 4.320 0.007 0.000 0.205 177 K C 2.293 178.952 176.600 0.098 0.000 1.049 177 K CA 1.469 57.898 56.287 0.236 0.000 0.936 177 K CB -0.085 32.610 32.500 0.326 0.000 0.722 177 K HN 0.373 nan 8.250 nan 0.000 0.446 178 Q N 0.686 120.359 119.800 -0.210 0.000 2.079 178 Q HA -0.023 4.322 4.340 0.007 0.000 0.200 178 Q C 1.912 177.744 176.000 -0.279 0.000 0.974 178 Q CA 1.657 57.229 55.803 -0.385 0.000 0.840 178 Q CB -0.287 28.080 28.738 -0.619 0.000 0.898 178 Q HN 0.313 nan 8.270 nan 0.000 0.430 179 A N -0.401 122.243 122.820 -0.294 0.000 1.892 179 A HA -0.214 4.111 4.320 0.007 0.000 0.218 179 A C 1.870 179.423 177.584 -0.052 0.000 1.188 179 A CA 1.677 53.477 52.037 -0.395 0.000 0.631 179 A CB -1.277 17.131 19.000 -0.987 0.000 0.822 179 A HN 0.675 nan 8.150 nan 0.000 0.447 180 W N 0.861 122.139 121.300 -0.037 0.000 2.354 180 W HA -0.149 4.514 4.660 0.005 0.000 0.315 180 W C 2.413 178.893 176.519 -0.066 0.000 1.206 180 W CA 1.641 59.033 57.345 0.078 0.000 1.290 180 W CB -0.786 28.733 29.460 0.098 0.000 1.152 180 W HN 0.387 nan 8.180 nan 0.000 0.489 181 R N 0.356 120.762 120.500 -0.157 0.000 2.117 181 R HA -0.215 4.129 4.340 0.007 0.000 0.243 181 R C 1.579 177.709 176.300 -0.284 0.000 1.143 181 R CA 1.957 57.751 56.100 -0.510 0.000 0.968 181 R CB -0.640 29.018 30.300 -1.071 0.000 0.863 181 R HN 0.098 nan 8.270 nan 0.000 0.444 182 N N 0.286 118.869 118.700 -0.195 0.000 2.467 182 N HA 0.021 4.765 4.740 0.007 0.000 0.184 182 N C -0.384 175.067 175.510 -0.097 0.000 1.106 182 N CA 0.729 53.689 53.050 -0.151 0.000 0.892 182 N CB 0.358 38.757 38.487 -0.148 0.000 0.969 182 N HN 0.205 nan 8.380 nan 0.000 0.454 183 A N 1.879 124.689 122.820 -0.017 0.000 2.489 183 A HA 0.226 4.550 4.320 0.007 0.000 0.289 183 A C -1.279 176.277 177.584 -0.047 0.000 1.216 183 A CA -0.919 51.115 52.037 -0.005 0.000 0.883 183 A CB 0.284 19.342 19.000 0.096 0.000 1.110 183 A HN 0.026 nan 8.150 nan 0.000 0.523 184 P HA -0.090 nan 4.420 nan 0.000 0.220 184 P C 1.054 178.296 177.300 -0.096 0.000 1.148 184 P CA 1.059 64.094 63.100 -0.108 0.000 0.803 184 P CB 0.171 31.775 31.700 -0.160 0.000 0.782 185 R N -1.955 118.450 120.500 -0.159 0.000 2.317 185 R HA 0.144 4.488 4.340 0.007 0.000 0.208 185 R C 0.219 176.523 176.300 0.006 0.000 0.914 185 R CA -0.127 55.891 56.100 -0.136 0.000 1.060 185 R CB -0.424 29.558 30.300 -0.530 0.000 1.015 185 R HN 0.174 nan 8.270 nan 0.000 0.498 186 C N 0.390 119.685 119.300 -0.008 0.000 2.265 186 C HA 0.233 4.698 4.460 0.007 0.000 0.332 186 C C 1.841 176.794 174.990 -0.062 0.000 1.248 186 C CA -0.707 58.333 59.018 0.037 0.000 1.727 186 C CB 0.634 28.464 27.740 0.150 0.000 2.348 186 C HN 0.280 nan 8.230 nan 0.000 0.519 187 V N 6.020 125.848 119.914 -0.144 0.000 3.573 187 V HA 0.196 4.320 4.120 0.007 0.000 0.270 187 V C 1.744 177.846 176.094 0.013 0.000 1.221 187 V CA 2.100 64.209 62.300 -0.320 0.000 1.163 187 V CB -0.198 31.461 31.823 -0.273 0.000 0.847 187 V HN 1.088 nan 8.190 nan 0.000 0.468 188 G N -0.709 108.145 108.800 0.089 0.000 3.284 188 G HA2 0.051 4.015 3.960 0.007 0.000 0.236 188 G HA3 0.051 4.015 3.960 0.007 0.000 0.236 188 G C 1.231 176.187 174.900 0.092 0.000 1.158 188 G CA -0.352 44.822 45.100 0.123 0.000 0.774 188 G HN 0.433 nan 8.290 nan 0.000 0.545 189 R N -0.091 120.382 120.500 -0.044 0.000 2.357 189 R HA 0.153 4.497 4.340 0.007 0.000 0.202 189 R C 1.901 177.805 176.300 -0.660 0.000 1.047 189 R CA 0.079 55.874 56.100 -0.508 0.000 1.034 189 R CB -0.140 29.803 30.300 -0.594 0.000 0.875 189 R HN 0.412 nan 8.270 nan 0.000 0.473 190 I N 0.891 121.250 120.570 -0.352 0.000 2.614 190 I HA -0.229 3.945 4.170 0.007 0.000 0.258 190 I C 1.272 177.319 176.117 -0.117 0.000 1.189 190 I CA 1.162 62.406 61.300 -0.093 0.000 1.462 190 I CB 0.162 38.203 38.000 0.068 0.000 1.092 190 I HN 0.213 nan 8.210 nan 0.000 0.442 191 Q N 0.508 120.188 119.800 -0.200 0.000 2.444 191 Q HA -0.126 4.218 4.340 0.007 0.000 0.206 191 Q C 1.677 177.321 176.000 -0.595 0.000 0.948 191 Q CA 0.494 56.175 55.803 -0.203 0.000 0.946 191 Q CB -0.234 28.543 28.738 0.064 0.000 1.027 191 Q HN 0.781 nan 8.270 nan 0.000 0.513 192 W N -0.054 120.623 121.300 -1.038 0.000 2.364 192 W HA -0.093 4.573 4.660 0.010 0.000 0.281 192 W C 1.166 177.381 176.519 -0.507 0.000 1.219 192 W CA 1.103 57.609 57.345 -1.398 0.000 1.220 192 W CB -1.099 27.728 29.460 -1.055 0.000 1.127 192 W HN 0.062 nan 8.180 nan 0.000 0.556 193 G N 1.122 109.225 108.800 -1.161 0.000 2.572 193 G HA2 -0.157 3.807 3.960 0.007 0.000 0.216 193 G HA3 -0.157 3.807 3.960 0.007 0.000 0.216 193 G C 0.764 175.444 174.900 -0.367 0.000 1.133 193 G CA -0.034 44.456 45.100 -1.016 0.000 0.791 193 G HN 0.188 nan 8.290 nan 0.000 0.538 194 K N 0.296 120.581 120.400 -0.192 0.000 2.357 194 K HA 0.507 4.831 4.320 0.007 0.000 0.251 194 K C -1.756 174.964 176.600 0.201 0.000 1.069 194 K CA -0.634 55.659 56.287 0.010 0.000 0.994 194 K CB 0.520 33.046 32.500 0.043 0.000 1.411 194 K HN 0.091 nan 8.250 nan 0.000 0.450 195 L N 3.370 124.696 121.223 0.172 0.000 2.476 195 L HA 0.270 4.614 4.340 0.007 0.000 0.269 195 L C -1.213 175.674 176.870 0.028 0.000 0.965 195 L CA -0.430 54.529 54.840 0.198 0.000 0.845 195 L CB 1.905 44.169 42.059 0.341 0.000 1.259 195 L HN 0.434 nan 8.230 nan 0.000 0.403 196 Q N 3.469 123.240 119.800 -0.049 0.000 2.296 196 Q HA 0.437 4.782 4.340 0.007 0.000 0.263 196 Q C -1.485 174.244 176.000 -0.451 0.000 1.026 196 Q CA 0.029 55.642 55.803 -0.316 0.000 0.912 196 Q CB 1.046 29.512 28.738 -0.452 0.000 1.198 196 Q HN 0.524 nan 8.270 nan 0.000 0.407 197 V N 6.697 126.367 119.914 -0.407 0.000 2.334 197 V HA 0.304 4.428 4.120 0.007 0.000 0.267 197 V C -0.572 175.276 176.094 -0.410 0.000 1.040 197 V CA -0.487 61.625 62.300 -0.313 0.000 0.866 197 V CB -0.162 31.561 31.823 -0.168 0.000 1.019 197 V HN 0.645 nan 8.190 nan 0.000 0.468 198 F N 2.977 122.805 119.950 -0.203 0.000 2.421 198 F HA 0.308 4.838 4.527 0.003 0.000 0.358 198 F C 0.711 176.341 175.800 -0.283 0.000 1.115 198 F CA -0.749 57.115 58.000 -0.227 0.000 1.160 198 F CB 0.686 39.554 39.000 -0.221 0.000 1.123 198 F HN 0.409 nan 8.300 nan 0.000 0.508 199 D N 3.506 123.869 120.400 -0.062 0.000 2.393 199 D HA 0.352 4.996 4.640 0.007 0.000 0.232 199 D C 0.121 176.255 176.300 -0.276 0.000 1.192 199 D CA 0.051 53.948 54.000 -0.171 0.000 0.882 199 D CB 1.133 41.871 40.800 -0.103 0.000 1.038 199 D HN 0.611 nan 8.370 nan 0.000 0.499 200 A N 4.589 127.081 122.820 -0.547 0.000 2.630 200 A HA 0.150 4.475 4.320 0.007 0.000 0.290 200 A C 1.544 178.845 177.584 -0.470 0.000 1.267 200 A CA -0.389 51.090 52.037 -0.931 0.000 0.950 200 A CB 0.012 17.913 19.000 -1.830 0.000 1.144 200 A HN 0.527 nan 8.150 nan 0.000 0.527 201 R N 0.596 120.953 120.500 -0.238 0.000 2.357 201 R HA -0.081 4.264 4.340 0.007 0.000 0.202 201 R C 0.572 176.851 176.300 -0.033 0.000 1.047 201 R CA 1.140 57.185 56.100 -0.092 0.000 1.034 201 R CB 0.046 30.347 30.300 0.002 0.000 0.875 201 R HN 0.682 nan 8.270 nan 0.000 0.473 202 D N -0.920 119.474 120.400 -0.009 0.000 2.350 202 D HA -0.062 4.583 4.640 0.007 0.000 0.213 202 D C 0.422 176.798 176.300 0.127 0.000 1.031 202 D CA -0.297 53.745 54.000 0.070 0.000 0.861 202 D CB -0.531 40.330 40.800 0.103 0.000 0.926 202 D HN -0.025 nan 8.370 nan 0.000 0.520 203 C N 1.933 121.302 119.300 0.115 0.000 2.596 203 C HA 0.292 4.756 4.460 0.007 0.000 0.414 203 C C 1.588 176.728 174.990 0.250 0.000 1.396 203 C CA 0.686 59.844 59.018 0.235 0.000 1.698 203 C CB -0.742 27.149 27.740 0.252 0.000 2.572 203 C HN 0.467 nan 8.230 nan 0.000 0.604 204 S N 2.569 118.450 115.700 0.301 0.000 2.819 204 S HA 0.342 4.816 4.470 0.007 0.000 0.249 204 S C -0.076 174.691 174.600 0.278 0.000 1.030 204 S CA 0.197 58.593 58.200 0.326 0.000 1.052 204 S CB -0.219 63.102 63.200 0.202 0.000 1.017 204 S HN 1.283 nan 8.310 nan 0.000 0.576 205 S N -0.439 115.432 115.700 0.285 0.000 2.615 205 S HA 0.797 5.272 4.470 0.007 0.000 0.269 205 S C 0.823 175.517 174.600 0.155 0.000 1.161 205 S CA -0.317 57.987 58.200 0.173 0.000 0.817 205 S CB 0.825 64.099 63.200 0.123 0.000 1.131 205 S HN 0.505 nan 8.310 nan 0.000 0.467 206 A N 0.730 123.606 122.820 0.094 0.000 1.902 206 A HA -0.100 4.224 4.320 0.007 0.000 0.217 206 A C 2.129 179.690 177.584 -0.037 0.000 1.181 206 A CA 2.265 54.341 52.037 0.065 0.000 0.623 206 A CB -1.277 17.823 19.000 0.167 0.000 0.818 206 A HN 0.955 nan 8.150 nan 0.000 0.443 207 Q N -0.125 119.733 119.800 0.098 0.000 2.167 207 Q HA -0.156 4.188 4.340 0.007 0.000 0.202 207 Q C 1.881 177.875 176.000 -0.011 0.000 0.970 207 Q CA 1.982 57.798 55.803 0.022 0.000 0.855 207 Q CB -0.264 28.598 28.738 0.206 0.000 0.911 207 Q HN 0.756 nan 8.270 nan 0.000 0.438 208 E N -0.499 119.735 120.200 0.058 0.000 2.106 208 E HA -0.184 4.170 4.350 0.007 0.000 0.192 208 E C 1.836 178.536 176.600 0.166 0.000 0.984 208 E CA 1.295 57.749 56.400 0.090 0.000 0.806 208 E CB -0.073 29.727 29.700 0.167 0.000 0.750 208 E HN 0.491 nan 8.360 nan 0.000 0.458 209 M N -0.120 119.552 119.600 0.119 0.000 2.106 209 M HA -0.178 4.306 4.480 0.007 0.000 0.259 209 M C 2.171 178.522 176.300 0.086 0.000 1.068 209 M CA 1.392 56.723 55.300 0.051 0.000 1.100 209 M CB -0.469 31.903 32.600 -0.379 0.000 1.351 209 M HN 0.170 nan 8.290 nan 0.000 0.404 210 F N 1.510 121.264 119.950 -0.327 0.000 2.095 210 F HA -0.208 4.325 4.527 0.010 0.000 0.298 210 F C 2.358 178.055 175.800 -0.172 0.000 1.104 210 F CA 1.997 59.752 58.000 -0.407 0.000 1.232 210 F CB -0.836 37.595 39.000 -0.949 0.000 0.987 210 F HN 0.063 nan 8.300 nan 0.000 0.475 211 T N -0.468 113.947 114.554 -0.232 0.000 2.684 211 T HA -0.248 4.107 4.350 0.007 0.000 0.267 211 T C 1.738 176.293 174.700 -0.243 0.000 1.036 211 T CA 1.879 63.797 62.100 -0.304 0.000 1.148 211 T CB -0.803 67.918 68.868 -0.245 0.000 0.863 211 T HN 0.268 nan 8.240 nan 0.000 0.436 212 Y N 0.989 121.241 120.300 -0.080 0.000 2.165 212 Y HA -0.053 4.501 4.550 0.006 0.000 0.286 212 Y C 2.219 178.063 175.900 -0.094 0.000 1.155 212 Y CA 0.511 58.571 58.100 -0.067 0.000 1.164 212 Y CB -0.595 37.927 38.460 0.103 0.000 0.978 212 Y HN 0.202 nan 8.280 nan 0.000 0.513 213 I N -1.756 118.886 120.570 0.122 0.000 2.252 213 I HA -0.333 3.841 4.170 0.007 0.000 0.245 213 I C 2.322 178.385 176.117 -0.089 0.000 1.102 213 I CA 0.911 62.231 61.300 0.033 0.000 1.385 213 I CB -0.456 37.571 38.000 0.045 0.000 1.064 213 I HN 0.236 nan 8.210 nan 0.000 0.414 214 C N 0.628 119.761 119.300 -0.277 0.000 2.425 214 C HA -0.137 4.327 4.460 0.007 0.000 0.277 214 C C 2.630 177.525 174.990 -0.159 0.000 1.280 214 C CA 0.782 59.633 59.018 -0.278 0.000 1.744 214 C CB -1.407 26.044 27.740 -0.481 0.000 1.989 214 C HN 0.544 nan 8.230 nan 0.000 0.491 215 N N -0.012 118.577 118.700 -0.185 0.000 2.120 215 N HA -0.145 4.599 4.740 0.007 0.000 0.188 215 N C 1.423 176.833 175.510 -0.167 0.000 1.024 215 N CA 1.485 54.418 53.050 -0.194 0.000 0.852 215 N CB -0.806 37.501 38.487 -0.300 0.000 1.003 215 N HN 0.740 nan 8.380 nan 0.000 0.424 216 H N 0.761 119.668 119.070 -0.272 0.000 2.265 216 H HA -0.036 4.525 4.556 0.010 0.000 0.295 216 H C 2.137 177.484 175.328 0.032 0.000 1.084 216 H CA 2.003 57.964 56.048 -0.146 0.000 1.261 216 H CB -0.149 29.576 29.762 -0.061 0.000 1.360 216 H HN 0.115 nan 8.280 nan 0.000 0.487 217 I N 0.532 121.232 120.570 0.216 0.000 2.264 217 I HA -0.274 3.900 4.170 0.007 0.000 0.248 217 I C 2.335 178.522 176.117 0.117 0.000 1.111 217 I CA 1.457 62.854 61.300 0.162 0.000 1.382 217 I CB -0.240 37.789 38.000 0.048 0.000 1.060 217 I HN 0.338 nan 8.210 nan 0.000 0.418 218 K N -0.125 120.316 120.400 0.068 0.000 2.057 218 K HA -0.210 4.115 4.320 0.007 0.000 0.206 218 K C 2.223 178.880 176.600 0.094 0.000 1.050 218 K CA 1.519 57.839 56.287 0.055 0.000 0.935 218 K CB -0.434 32.078 32.500 0.020 0.000 0.715 218 K HN 0.238 nan 8.250 nan 0.000 0.439 219 Y N 1.800 122.112 120.300 0.021 0.000 2.097 219 Y HA -0.282 4.269 4.550 0.002 0.000 0.282 219 Y C 2.338 178.291 175.900 0.088 0.000 1.152 219 Y CA 1.703 59.850 58.100 0.079 0.000 1.136 219 Y CB -0.362 38.210 38.460 0.187 0.000 0.975 219 Y HN 0.055 nan 8.280 nan 0.000 0.498 220 A N -1.045 121.902 122.820 0.212 0.000 1.930 220 A HA -0.149 4.176 4.320 0.007 0.000 0.217 220 A C 2.201 179.836 177.584 0.086 0.000 1.175 220 A CA 2.181 54.313 52.037 0.158 0.000 0.627 220 A CB -1.211 17.943 19.000 0.257 0.000 0.815 220 A HN 0.516 nan 8.150 nan 0.000 0.443 221 T N -0.405 114.200 114.554 0.084 0.000 2.812 221 T HA -0.068 4.286 4.350 0.007 0.000 0.264 221 T C 1.085 175.792 174.700 0.010 0.000 1.042 221 T CA 1.117 63.258 62.100 0.068 0.000 1.140 221 T CB -0.375 68.534 68.868 0.069 0.000 0.870 221 T HN 0.637 nan 8.240 nan 0.000 0.445 222 N N 1.100 119.781 118.700 -0.032 0.000 2.716 222 N HA -0.256 4.488 4.740 0.007 0.000 0.250 222 N C -0.194 175.290 175.510 -0.044 0.000 1.033 222 N CA 0.593 53.600 53.050 -0.072 0.000 0.727 222 N CB -1.343 37.058 38.487 -0.144 0.000 0.950 222 N HN 0.483 nan 8.380 nan 0.000 0.541 223 R N -2.425 118.062 120.500 -0.022 0.000 3.641 223 R HA -0.206 4.138 4.340 0.007 0.000 0.286 223 R C 1.251 177.536 176.300 -0.026 0.000 1.153 223 R CA 1.208 57.295 56.100 -0.022 0.000 0.775 223 R CB -1.866 28.417 30.300 -0.028 0.000 1.215 223 R HN 0.983 nan 8.270 nan 0.000 0.474 224 G N -0.586 108.206 108.800 -0.013 0.000 2.238 224 G HA2 -0.307 3.657 3.960 0.007 0.000 0.217 224 G HA3 -0.307 3.657 3.960 0.007 0.000 0.217 224 G C -0.084 174.800 174.900 -0.026 0.000 0.996 224 G CA 0.020 45.110 45.100 -0.016 0.000 0.632 224 G HN 0.338 nan 8.290 nan 0.000 0.503 225 N N 1.357 120.030 118.700 -0.045 0.000 3.034 225 N HA 0.480 5.224 4.740 0.007 0.000 0.265 225 N C 0.267 175.742 175.510 -0.059 0.000 1.166 225 N CA -0.325 52.680 53.050 -0.075 0.000 1.081 225 N CB -0.187 38.251 38.487 -0.081 0.000 1.378 225 N HN 0.255 nan 8.380 nan 0.000 0.520 226 L N 2.058 123.271 121.223 -0.018 0.000 2.461 226 L HA 0.253 4.597 4.340 0.007 0.000 0.272 226 L C 0.802 177.777 176.870 0.174 0.000 1.197 226 L CA 0.608 55.514 54.840 0.110 0.000 0.836 226 L CB 0.430 42.651 42.059 0.270 0.000 1.105 226 L HN 0.298 nan 8.230 nan 0.000 0.477 227 R N 1.254 121.867 120.500 0.189 0.000 2.532 227 R HA 0.431 4.776 4.340 0.007 0.000 0.297 227 R C -0.736 175.719 176.300 0.259 0.000 0.984 227 R CA -0.688 55.542 56.100 0.217 0.000 0.884 227 R CB 1.675 31.963 30.300 -0.021 0.000 1.182 227 R HN 0.597 nan 8.270 nan 0.000 0.442 228 S N 1.434 117.295 115.700 0.269 0.000 2.560 228 S HA 0.424 4.898 4.470 0.007 0.000 0.284 228 S C -0.099 174.562 174.600 0.100 0.000 1.327 228 S CA -0.177 58.084 58.200 0.101 0.000 1.055 228 S CB 1.131 64.339 63.200 0.013 0.000 0.868 228 S HN 0.723 nan 8.310 nan 0.000 0.506 229 A N 2.199 125.047 122.820 0.046 0.000 2.608 229 A HA 0.796 5.120 4.320 0.007 0.000 0.292 229 A C -1.288 176.371 177.584 0.125 0.000 1.066 229 A CA -0.665 51.366 52.037 -0.010 0.000 0.676 229 A CB 1.133 20.071 19.000 -0.102 0.000 1.277 229 A HN 0.794 nan 8.150 nan 0.000 0.413 230 I N 0.308 120.958 120.570 0.134 0.000 2.769 230 I HA 0.674 4.849 4.170 0.007 0.000 0.298 230 I C -1.116 175.146 176.117 0.242 0.000 1.128 230 I CA -0.237 61.247 61.300 0.306 0.000 1.031 230 I CB 2.486 40.606 38.000 0.200 0.000 1.235 230 I HN 0.618 nan 8.210 nan 0.000 0.423 231 T N 5.947 120.642 114.554 0.235 0.000 2.786 231 T HA 0.439 4.794 4.350 0.007 0.000 0.283 231 T C -0.776 173.725 174.700 -0.333 0.000 0.992 231 T CA -0.347 61.725 62.100 -0.047 0.000 0.954 231 T CB 1.503 70.313 68.868 -0.096 0.000 0.934 231 T HN 0.252 nan 8.240 nan 0.000 0.440 232 V N 5.156 124.805 119.914 -0.442 0.000 2.333 232 V HA 0.458 4.582 4.120 0.007 0.000 0.274 232 V C -0.357 175.411 176.094 -0.543 0.000 1.028 232 V CA -0.776 61.266 62.300 -0.430 0.000 0.851 232 V CB -0.028 31.518 31.823 -0.462 0.000 1.000 232 V HN 0.714 nan 8.190 nan 0.000 0.456 233 F N 5.523 125.381 119.950 -0.153 0.000 2.368 233 F HA 0.485 5.018 4.527 0.009 0.000 0.315 233 F C -1.761 173.937 175.800 -0.170 0.000 1.145 233 F CA -2.433 55.389 58.000 -0.297 0.000 1.095 233 F CB 0.139 38.923 39.000 -0.361 0.000 1.286 233 F HN 0.295 nan 8.300 nan 0.000 0.530 234 P HA -0.011 nan 4.420 nan 0.000 0.265 234 P C -0.912 176.439 177.300 0.084 0.000 1.187 234 P CA -0.192 62.900 63.100 -0.014 0.000 0.766 234 P CB 0.251 31.905 31.700 -0.076 0.000 0.820 235 Q N 3.152 122.918 119.800 -0.057 0.000 2.492 235 Q HA 0.141 4.485 4.340 0.007 0.000 0.238 235 Q C -0.107 175.796 176.000 -0.162 0.000 1.045 235 Q CA -0.346 55.192 55.803 -0.441 0.000 0.934 235 Q CB 0.582 28.744 28.738 -0.960 0.000 1.276 235 Q HN 0.325 nan 8.270 nan 0.000 0.521 236 R N 0.004 120.388 120.500 -0.193 0.000 2.570 236 R HA 0.270 4.615 4.340 0.007 0.000 0.277 236 R C -0.871 175.375 176.300 -0.091 0.000 1.039 236 R CA 0.599 56.649 56.100 -0.083 0.000 1.065 236 R CB 0.433 30.677 30.300 -0.094 0.000 0.964 236 R HN 0.690 nan 8.270 nan 0.000 0.428 237 A N 5.873 128.679 122.820 -0.023 0.000 2.393 237 A HA 0.510 4.834 4.320 0.007 0.000 0.306 237 A C -2.438 175.145 177.584 -0.002 0.000 1.050 237 A CA -1.755 50.275 52.037 -0.012 0.000 0.724 237 A CB 1.482 20.506 19.000 0.040 0.000 1.248 237 A HN 0.493 nan 8.150 nan 0.000 0.424 238 P HA 0.323 nan 4.420 nan 0.000 0.271 238 P C 0.654 177.962 177.300 0.014 0.000 1.220 238 P CA 1.386 64.487 63.100 0.002 0.000 0.768 238 P CB 0.833 32.535 31.700 0.003 0.000 0.848 239 G N 2.072 110.879 108.800 0.011 0.000 2.291 239 G HA2 -0.176 3.788 3.960 0.007 0.000 0.271 239 G HA3 -0.176 3.788 3.960 0.007 0.000 0.271 239 G C -0.100 174.809 174.900 0.016 0.000 1.099 239 G CA -0.316 44.792 45.100 0.014 0.000 0.919 239 G HN 0.842 nan 8.290 nan 0.000 0.496 240 R N -0.919 119.587 120.500 0.011 0.000 3.513 240 R HA 0.440 4.784 4.340 0.007 0.000 0.243 240 R C 0.513 176.812 176.300 -0.002 0.000 1.033 240 R CA 0.089 56.193 56.100 0.008 0.000 1.083 240 R CB 0.322 30.638 30.300 0.026 0.000 1.246 240 R HN 0.991 nan 8.270 nan 0.000 0.526 241 G N 1.411 110.198 108.800 -0.021 0.000 2.621 241 G HA2 0.262 4.227 3.960 0.007 0.000 0.271 241 G HA3 0.262 4.227 3.960 0.007 0.000 0.271 241 G C -0.522 174.358 174.900 -0.033 0.000 1.236 241 G CA -0.283 44.803 45.100 -0.024 0.000 0.958 241 G HN 0.518 nan 8.290 nan 0.000 0.512 242 D N -0.803 119.591 120.400 -0.010 0.000 2.253 242 D HA 0.345 4.989 4.640 0.007 0.000 0.249 242 D C -0.405 175.900 176.300 0.008 0.000 1.049 242 D CA -0.013 54.009 54.000 0.037 0.000 0.929 242 D CB 1.238 42.075 40.800 0.061 0.000 1.176 242 D HN 0.063 nan 8.370 nan 0.000 0.437 243 F N 1.471 121.449 119.950 0.047 0.000 2.427 243 F HA 0.294 4.826 4.527 0.009 0.000 0.352 243 F C 1.089 176.923 175.800 0.057 0.000 1.100 243 F CA 0.113 58.131 58.000 0.030 0.000 1.191 243 F CB 0.608 39.617 39.000 0.013 0.000 1.128 243 F HN -0.193 nan 8.300 nan 0.000 0.533 244 R N 3.628 124.261 120.500 0.221 0.000 2.651 244 R HA 0.506 4.850 4.340 0.007 0.000 0.278 244 R C -1.243 175.209 176.300 0.253 0.000 1.010 244 R CA -0.920 55.323 56.100 0.239 0.000 0.896 244 R CB 2.179 32.638 30.300 0.266 0.000 1.211 244 R HN 0.611 nan 8.270 nan 0.000 0.456 245 I N 2.008 122.716 120.570 0.230 0.000 2.321 245 I HA 0.173 4.347 4.170 0.007 0.000 0.291 245 I C 0.572 176.911 176.117 0.370 0.000 0.998 245 I CA -0.400 61.038 61.300 0.231 0.000 1.227 245 I CB 1.127 39.203 38.000 0.127 0.000 1.368 245 I HN 0.512 nan 8.210 nan 0.000 0.466 246 W N 3.396 124.740 121.300 0.073 0.000 2.436 246 W HA -0.042 4.622 4.660 0.007 0.000 0.284 246 W C 0.918 177.544 176.519 0.178 0.000 1.225 246 W CA 0.035 57.488 57.345 0.181 0.000 1.271 246 W CB -0.818 28.741 29.460 0.165 0.000 1.114 246 W HN 0.402 nan 8.180 nan 0.000 0.559 247 N N 0.046 118.915 118.700 0.282 0.000 2.479 247 N HA 0.004 4.749 4.740 0.007 0.000 0.257 247 N C 1.348 176.923 175.510 0.109 0.000 1.232 247 N CA 0.856 53.993 53.050 0.144 0.000 0.920 247 N CB 0.807 39.317 38.487 0.038 0.000 1.105 247 N HN -0.090 nan 8.380 nan 0.000 0.444 248 S N 0.898 116.652 115.700 0.090 0.000 2.436 248 S HA -0.015 4.459 4.470 0.007 0.000 0.228 248 S C 0.388 174.988 174.600 0.001 0.000 1.014 248 S CA 0.628 58.867 58.200 0.066 0.000 0.950 248 S CB 0.109 63.367 63.200 0.095 0.000 0.784 248 S HN 0.641 nan 8.310 nan 0.000 0.504 249 Q N -0.707 119.079 119.800 -0.024 0.000 2.484 249 Q HA 0.515 4.859 4.340 0.007 0.000 0.285 249 Q C 0.311 176.230 176.000 -0.135 0.000 1.097 249 Q CA -0.606 55.144 55.803 -0.089 0.000 0.802 249 Q CB 1.914 30.628 28.738 -0.040 0.000 1.444 249 Q HN 0.129 nan 8.270 nan 0.000 0.429 250 L N 0.157 121.272 121.223 -0.179 0.000 2.141 250 L HA 0.013 4.357 4.340 0.007 0.000 0.209 250 L C 0.353 177.069 176.870 -0.256 0.000 1.094 250 L CA 0.814 55.547 54.840 -0.179 0.000 0.763 250 L CB 0.160 42.111 42.059 -0.180 0.000 0.908 250 L HN 0.276 nan 8.230 nan 0.000 0.437 251 V N 0.929 120.588 119.914 -0.425 0.000 2.409 251 V HA 0.454 4.579 4.120 0.007 0.000 0.291 251 V C -0.275 175.323 176.094 -0.826 0.000 1.020 251 V CA -0.679 61.174 62.300 -0.745 0.000 0.848 251 V CB 1.604 32.693 31.823 -1.224 0.000 0.990 251 V HN 0.165 nan 8.190 nan 0.000 0.430 252 R N 3.138 123.290 120.500 -0.579 0.000 2.564 252 R HA 0.457 4.801 4.340 0.007 0.000 0.284 252 R C -1.689 174.438 176.300 -0.288 0.000 1.031 252 R CA -0.745 55.154 56.100 -0.335 0.000 0.904 252 R CB 2.269 32.480 30.300 -0.149 0.000 1.199 252 R HN 0.586 nan 8.270 nan 0.000 0.443 253 Y N 0.799 121.101 120.300 0.003 0.000 2.309 253 Y HA 0.325 4.879 4.550 0.008 0.000 0.327 253 Y C 1.123 176.997 175.900 -0.044 0.000 1.172 253 Y CA -0.404 57.716 58.100 0.033 0.000 1.280 253 Y CB 0.851 39.416 38.460 0.176 0.000 1.234 253 Y HN 0.654 nan 8.280 nan 0.000 0.512 254 A N 1.906 124.769 122.820 0.071 0.000 2.483 254 A HA 0.506 4.831 4.320 0.007 0.000 0.238 254 A C 0.661 178.028 177.584 -0.361 0.000 1.070 254 A CA 0.291 52.190 52.037 -0.231 0.000 0.770 254 A CB -0.256 18.519 19.000 -0.375 0.000 1.008 254 A HN 0.948 nan 8.150 nan 0.000 0.497 255 G N 0.847 109.408 108.800 -0.399 0.000 2.660 255 G HA2 0.535 4.499 3.960 0.007 0.000 0.305 255 G HA3 0.535 4.499 3.960 0.007 0.000 0.305 255 G C -1.153 173.579 174.900 -0.280 0.000 1.329 255 G CA -0.231 44.690 45.100 -0.299 0.000 1.000 255 G HN 0.494 nan 8.290 nan 0.000 0.514 256 Y N 1.421 121.737 120.300 0.027 0.000 2.353 256 Y HA 0.439 4.993 4.550 0.007 0.000 0.340 256 Y C 0.975 176.877 175.900 0.004 0.000 0.972 256 Y CA -1.177 56.940 58.100 0.029 0.000 1.157 256 Y CB 1.212 39.687 38.460 0.025 0.000 1.157 256 Y HN 0.526 nan 8.280 nan 0.000 0.495 257 R N 2.760 123.349 120.500 0.149 0.000 2.537 257 R HA 0.123 4.467 4.340 0.007 0.000 0.280 257 R C -0.329 176.015 176.300 0.073 0.000 1.058 257 R CA -0.203 55.946 56.100 0.081 0.000 1.057 257 R CB 0.466 30.801 30.300 0.057 0.000 0.973 257 R HN 0.603 nan 8.270 nan 0.000 0.438 258 Q N 2.222 122.049 119.800 0.045 0.000 2.204 258 Q HA 0.059 4.403 4.340 0.007 0.000 0.254 258 Q C 0.447 176.457 176.000 0.016 0.000 0.981 258 Q CA -0.549 55.271 55.803 0.028 0.000 0.897 258 Q CB 1.385 30.135 28.738 0.020 0.000 1.273 258 Q HN 0.613 nan 8.270 nan 0.000 0.464 259 Q N 0.726 120.529 119.800 0.006 0.000 2.135 259 Q HA -0.182 4.162 4.340 0.007 0.000 0.204 259 Q C 0.818 176.820 176.000 0.004 0.000 0.981 259 Q CA 2.022 57.826 55.803 0.002 0.000 0.856 259 Q CB 0.096 28.831 28.738 -0.005 0.000 0.902 259 Q HN 0.564 nan 8.270 nan 0.000 0.425 260 D N -1.885 118.517 120.400 0.004 0.000 2.309 260 D HA -0.039 4.605 4.640 0.007 0.000 0.212 260 D C 1.209 177.513 176.300 0.007 0.000 0.968 260 D CA 1.124 55.127 54.000 0.004 0.000 0.882 260 D CB -0.286 40.515 40.800 0.003 0.000 0.918 260 D HN 0.436 nan 8.370 nan 0.000 0.503 261 G N 0.268 109.074 108.800 0.010 0.000 2.195 261 G HA2 -0.300 3.664 3.960 0.007 0.000 0.246 261 G HA3 -0.300 3.664 3.960 0.007 0.000 0.246 261 G C 0.624 175.531 174.900 0.013 0.000 0.984 261 G CA 0.593 45.700 45.100 0.013 0.000 0.633 261 G HN 0.653 nan 8.290 nan 0.000 0.525 262 S N -1.073 114.634 115.700 0.011 0.000 2.633 262 S HA 0.725 5.199 4.470 0.007 0.000 0.257 262 S C 0.138 174.744 174.600 0.009 0.000 1.265 262 S CA 0.057 58.261 58.200 0.008 0.000 0.980 262 S CB 2.158 65.361 63.200 0.004 0.000 1.017 262 S HN 1.104 nan 8.310 nan 0.000 0.577 263 V N 0.787 120.698 119.914 -0.005 0.000 2.588 263 V HA 0.543 4.667 4.120 0.007 0.000 0.304 263 V C -0.115 175.962 176.094 -0.028 0.000 1.042 263 V CA -0.799 61.494 62.300 -0.011 0.000 0.877 263 V CB 1.733 33.531 31.823 -0.042 0.000 0.996 263 V HN 0.914 nan 8.190 nan 0.000 0.425 264 R N 2.706 123.220 120.500 0.024 0.000 2.346 264 R HA 0.692 5.037 4.340 0.007 0.000 0.311 264 R C 0.577 176.846 176.300 -0.052 0.000 0.983 264 R CA 0.940 57.052 56.100 0.020 0.000 0.880 264 R CB 1.182 31.558 30.300 0.128 0.000 1.100 264 R HN 1.184 nan 8.270 nan 0.000 0.453 265 G N 2.871 111.548 108.800 -0.204 0.000 2.475 265 G HA2 -0.247 3.718 3.960 0.007 0.000 0.223 265 G HA3 -0.247 3.718 3.960 0.007 0.000 0.223 265 G C -1.297 173.226 174.900 -0.628 0.000 1.201 265 G CA -0.067 44.838 45.100 -0.325 0.000 0.962 265 G HN 0.636 nan 8.290 nan 0.000 0.586 266 D N 1.679 121.856 120.400 -0.372 0.000 2.359 266 D HA 0.571 5.216 4.640 0.007 0.000 0.230 266 D C -1.087 175.114 176.300 -0.165 0.000 1.118 266 D CA -1.963 51.845 54.000 -0.320 0.000 0.844 266 D CB 1.561 42.468 40.800 0.179 0.000 1.059 266 D HN -0.012 nan 8.370 nan 0.000 0.493 267 P HA -0.050 nan 4.420 nan 0.000 0.222 267 P C 0.934 178.236 177.300 0.003 0.000 1.147 267 P CA 0.704 63.763 63.100 -0.069 0.000 0.790 267 P CB 0.245 31.914 31.700 -0.052 0.000 0.780 268 A N -0.311 122.530 122.820 0.036 0.000 2.070 268 A HA -0.137 4.187 4.320 0.007 0.000 0.220 268 A C 1.564 179.193 177.584 0.075 0.000 1.159 268 A CA 1.388 53.475 52.037 0.084 0.000 0.656 268 A CB -0.935 18.139 19.000 0.123 0.000 0.800 268 A HN 0.148 nan 8.150 nan 0.000 0.453 269 N N -0.437 118.289 118.700 0.044 0.000 2.321 269 N HA 0.178 4.922 4.740 0.007 0.000 0.242 269 N C 0.926 176.427 175.510 -0.015 0.000 1.141 269 N CA 0.066 53.130 53.050 0.024 0.000 0.864 269 N CB 0.768 39.266 38.487 0.018 0.000 1.100 269 N HN 0.183 nan 8.380 nan 0.000 0.510 270 V N 0.562 120.473 119.914 -0.005 0.000 2.358 270 V HA -0.165 3.960 4.120 0.007 0.000 0.246 270 V C 2.288 178.374 176.094 -0.013 0.000 1.047 270 V CA 1.585 63.878 62.300 -0.012 0.000 1.035 270 V CB -0.117 31.709 31.823 0.006 0.000 0.658 270 V HN 0.359 nan 8.190 nan 0.000 0.452 271 E N -0.568 119.624 120.200 -0.014 0.000 2.072 271 E HA -0.209 4.145 4.350 0.007 0.000 0.191 271 E C 2.133 178.643 176.600 -0.151 0.000 0.985 271 E CA 1.313 57.671 56.400 -0.070 0.000 0.801 271 E CB -0.065 29.611 29.700 -0.039 0.000 0.750 271 E HN 0.496 nan 8.360 nan 0.000 0.452 272 I N 0.754 121.257 120.570 -0.111 0.000 2.315 272 I HA -0.204 3.971 4.170 0.007 0.000 0.248 272 I C 2.060 178.122 176.117 -0.091 0.000 1.117 272 I CA 1.471 62.693 61.300 -0.131 0.000 1.404 272 I CB -0.366 37.604 38.000 -0.049 0.000 1.071 272 I HN 0.013 nan 8.210 nan 0.000 0.419 273 T N 0.779 115.295 114.554 -0.062 0.000 2.720 273 T HA -0.196 4.159 4.350 0.007 0.000 0.268 273 T C 1.709 176.469 174.700 0.100 0.000 1.037 273 T CA 1.929 64.025 62.100 -0.006 0.000 1.144 273 T CB -0.288 68.569 68.868 -0.018 0.000 0.864 273 T HN 0.507 nan 8.240 nan 0.000 0.444 274 E N 0.686 120.916 120.200 0.051 0.000 2.152 274 E HA 0.032 4.387 4.350 0.007 0.000 0.192 274 E C 2.304 178.930 176.600 0.044 0.000 0.983 274 E CA 0.550 56.988 56.400 0.063 0.000 0.818 274 E CB -0.255 29.459 29.700 0.023 0.000 0.758 274 E HN 0.431 nan 8.360 nan 0.000 0.467 275 L N 0.606 121.820 121.223 -0.016 0.000 2.046 275 L HA -0.227 4.117 4.340 0.007 0.000 0.208 275 L C 2.663 179.659 176.870 0.209 0.000 1.077 275 L CA 0.873 55.751 54.840 0.064 0.000 0.747 275 L CB -0.479 41.531 42.059 -0.081 0.000 0.896 275 L HN 0.280 nan 8.230 nan 0.000 0.432 276 C N 0.012 119.372 119.300 0.099 0.000 2.413 276 C HA -0.186 4.279 4.460 0.007 0.000 0.277 276 C C 2.720 177.869 174.990 0.265 0.000 1.228 276 C CA 0.627 59.709 59.018 0.106 0.000 1.731 276 C CB -0.648 27.045 27.740 -0.078 0.000 2.042 276 C HN 0.413 nan 8.230 nan 0.000 0.468 277 I N 0.404 121.163 120.570 0.315 0.000 2.118 277 I HA -0.328 3.847 4.170 0.007 0.000 0.241 277 I C 2.661 178.843 176.117 0.108 0.000 1.070 277 I CA 1.765 63.214 61.300 0.249 0.000 1.327 277 I CB -0.660 37.459 38.000 0.199 0.000 1.034 277 I HN 0.474 nan 8.210 nan 0.000 0.405 278 Q N -0.483 119.349 119.800 0.052 0.000 2.368 278 Q HA -0.216 4.128 4.340 0.007 0.000 0.210 278 Q C 1.028 176.883 176.000 -0.242 0.000 0.982 278 Q CA 1.196 56.945 55.803 -0.090 0.000 0.884 278 Q CB -0.142 28.518 28.738 -0.129 0.000 0.933 278 Q HN 0.655 nan 8.270 nan 0.000 0.460 279 H N -1.789 117.273 119.070 -0.013 0.000 2.505 279 H HA 0.239 4.799 4.556 0.008 0.000 0.289 279 H C 0.737 176.045 175.328 -0.034 0.000 1.052 279 H CA 0.450 56.463 56.048 -0.059 0.000 1.156 279 H CB 0.929 30.612 29.762 -0.132 0.000 1.507 279 H HN 0.346 nan 8.280 nan 0.000 0.548 280 G N -0.157 108.685 108.800 0.069 0.000 2.159 280 G HA2 -0.262 3.703 3.960 0.007 0.000 0.227 280 G HA3 -0.262 3.703 3.960 0.007 0.000 0.227 280 G C -0.066 174.902 174.900 0.114 0.000 0.986 280 G CA -0.153 44.976 45.100 0.049 0.000 0.651 280 G HN 0.371 nan 8.290 nan 0.000 0.523 281 W N 1.866 123.148 121.300 -0.030 0.000 2.218 281 W HA 0.645 5.310 4.660 0.008 0.000 0.326 281 W C 0.236 176.750 176.519 -0.009 0.000 1.276 281 W CA 0.336 57.667 57.345 -0.023 0.000 1.210 281 W CB 0.947 30.404 29.460 -0.006 0.000 1.143 281 W HN 0.032 nan 8.180 nan 0.000 0.563 282 T N 8.912 123.114 114.554 -0.585 0.000 2.733 282 T HA 0.262 4.616 4.350 0.007 0.000 0.294 282 T C -2.135 171.819 174.700 -1.243 0.000 0.956 282 T CA -1.069 60.640 62.100 -0.652 0.000 0.987 282 T CB 0.665 69.309 68.868 -0.373 0.000 0.920 282 T HN 0.217 nan 8.240 nan 0.000 0.470 283 P HA 0.322 nan 4.420 nan 0.000 0.274 283 P C 0.348 177.278 177.300 -0.616 0.000 1.231 283 P CA -0.293 62.169 63.100 -1.062 0.000 0.790 283 P CB 0.853 32.288 31.700 -0.442 0.000 0.951 284 G N 0.976 109.548 108.800 -0.380 0.000 2.574 284 G HA2 0.253 4.217 3.960 0.007 0.000 0.248 284 G HA3 0.253 4.217 3.960 0.007 0.000 0.248 284 G C -0.191 174.439 174.900 -0.450 0.000 1.422 284 G CA -0.359 44.618 45.100 -0.205 0.000 1.051 284 G HN 0.575 nan 8.290 nan 0.000 0.560 285 N N -1.293 117.268 118.700 -0.232 0.000 2.550 285 N HA 0.260 5.005 4.740 0.007 0.000 0.277 285 N C 0.146 175.670 175.510 0.023 0.000 1.595 285 N CA 0.209 53.075 53.050 -0.307 0.000 0.888 285 N CB 0.422 38.734 38.487 -0.291 0.000 1.424 285 N HN 0.688 nan 8.380 nan 0.000 0.501 286 G N -0.553 108.367 108.800 0.200 0.000 2.511 286 G HA2 0.284 4.249 3.960 0.007 0.000 0.316 286 G HA3 0.284 4.249 3.960 0.007 0.000 0.316 286 G C 0.575 175.583 174.900 0.181 0.000 1.210 286 G CA -0.420 44.788 45.100 0.180 0.000 0.969 286 G HN 0.230 nan 8.290 nan 0.000 0.492 287 R N -1.215 119.293 120.500 0.014 0.000 2.200 287 R HA 0.107 4.451 4.340 0.007 0.000 0.208 287 R C -0.103 175.861 176.300 -0.559 0.000 1.033 287 R CA 0.711 56.647 56.100 -0.273 0.000 1.000 287 R CB 0.013 30.048 30.300 -0.442 0.000 0.906 287 R HN 0.416 nan 8.270 nan 0.000 0.462 288 F N 0.561 120.490 119.950 -0.035 0.000 2.576 288 F HA 0.242 4.773 4.527 0.008 0.000 0.365 288 F C -0.897 174.912 175.800 0.015 0.000 1.506 288 F CA -1.175 56.581 58.000 -0.406 0.000 1.113 288 F CB 0.656 39.217 39.000 -0.731 0.000 1.293 288 F HN -0.314 nan 8.300 nan 0.000 0.540 289 D N 1.697 122.295 120.400 0.330 0.000 2.325 289 D HA 0.196 4.840 4.640 0.007 0.000 0.251 289 D C 0.286 176.831 176.300 0.407 0.000 1.196 289 D CA 0.133 54.369 54.000 0.394 0.000 0.866 289 D CB 2.140 43.224 40.800 0.474 0.000 1.101 289 D HN -0.049 nan 8.370 nan 0.000 0.476 290 V N 3.677 123.791 119.914 0.335 0.000 2.585 290 V HA -0.007 4.118 4.120 0.007 0.000 0.296 290 V C 1.050 177.141 176.094 -0.006 0.000 1.035 290 V CA -0.232 62.137 62.300 0.116 0.000 1.084 290 V CB 0.363 32.209 31.823 0.040 0.000 0.953 290 V HN 0.346 nan 8.190 nan 0.000 0.483 291 L N 7.673 128.784 121.223 -0.187 0.000 2.453 291 L HA 0.366 4.711 4.340 0.007 0.000 0.261 291 L C -1.708 174.908 176.870 -0.423 0.000 1.179 291 L CA -1.473 53.094 54.840 -0.454 0.000 0.813 291 L CB 1.029 42.841 42.059 -0.412 0.000 1.110 291 L HN 0.493 nan 8.230 nan 0.000 0.466 292 P HA 0.159 nan 4.420 nan 0.000 0.276 292 P C -1.088 176.046 177.300 -0.278 0.000 1.252 292 P CA -0.635 62.225 63.100 -0.400 0.000 0.802 292 P CB 1.004 32.392 31.700 -0.520 0.000 1.035 293 L N 1.878 123.021 121.223 -0.132 0.000 2.305 293 L HA 0.228 4.572 4.340 0.007 0.000 0.281 293 L C 0.280 177.108 176.870 -0.071 0.000 1.085 293 L CA -0.345 54.462 54.840 -0.054 0.000 0.813 293 L CB -0.102 41.993 42.059 0.060 0.000 1.157 293 L HN 0.260 nan 8.230 nan 0.000 0.436 294 L N 5.550 126.713 121.223 -0.100 0.000 2.259 294 L HA 0.451 4.795 4.340 0.007 0.000 0.288 294 L C -0.433 176.323 176.870 -0.190 0.000 1.051 294 L CA 0.139 54.834 54.840 -0.242 0.000 0.824 294 L CB 0.350 42.197 42.059 -0.354 0.000 1.206 294 L HN 0.382 nan 8.230 nan 0.000 0.429 295 L N 3.920 125.068 121.223 -0.125 0.000 2.346 295 L HA 0.586 4.931 4.340 0.007 0.000 0.276 295 L C -0.288 176.517 176.870 -0.109 0.000 1.006 295 L CA -0.580 54.230 54.840 -0.050 0.000 0.817 295 L CB 2.075 44.140 42.059 0.009 0.000 1.272 295 L HN 0.515 nan 8.230 nan 0.000 0.421 296 Q N 2.215 121.981 119.800 -0.057 0.000 2.292 296 Q HA 0.698 5.042 4.340 0.007 0.000 0.270 296 Q C -1.281 174.654 176.000 -0.108 0.000 1.024 296 Q CA -0.510 55.253 55.803 -0.068 0.000 0.768 296 Q CB 2.336 31.118 28.738 0.074 0.000 1.250 296 Q HN 0.794 nan 8.270 nan 0.000 0.447 297 A N 4.706 127.404 122.820 -0.205 0.000 2.282 297 A HA 0.707 5.031 4.320 0.007 0.000 0.319 297 A C -2.470 174.842 177.584 -0.455 0.000 1.121 297 A CA -1.733 49.997 52.037 -0.511 0.000 0.836 297 A CB 0.315 19.122 19.000 -0.321 0.000 1.146 297 A HN 0.609 nan 8.150 nan 0.000 0.494 298 P HA 0.042 nan 4.420 nan 0.000 0.260 298 P C -0.519 176.683 177.300 -0.165 0.000 1.172 298 P CA 0.994 63.893 63.100 -0.335 0.000 0.760 298 P CB 0.159 31.671 31.700 -0.314 0.000 0.773 299 D N -0.047 120.300 120.400 -0.087 0.000 3.046 299 D HA -0.183 4.461 4.640 0.007 0.000 0.210 299 D C -0.092 176.191 176.300 -0.030 0.000 1.124 299 D CA 1.279 55.257 54.000 -0.037 0.000 0.986 299 D CB -0.841 39.939 40.800 -0.033 0.000 1.118 299 D HN 0.547 nan 8.370 nan 0.000 0.416 300 E N -0.120 120.049 120.200 -0.052 0.000 2.214 300 E HA 0.619 4.974 4.350 0.007 0.000 0.274 300 E C 0.203 176.785 176.600 -0.029 0.000 0.977 300 E CA -0.523 55.852 56.400 -0.042 0.000 0.827 300 E CB 1.465 31.126 29.700 -0.065 0.000 1.130 300 E HN 0.206 nan 8.360 nan 0.000 0.394 301 A N 3.519 126.324 122.820 -0.024 0.000 2.448 301 A HA 0.256 4.580 4.320 0.007 0.000 0.239 301 A C -2.110 175.385 177.584 -0.148 0.000 1.080 301 A CA -0.950 51.064 52.037 -0.039 0.000 0.779 301 A CB -0.370 18.624 19.000 -0.010 0.000 1.026 301 A HN 0.357 nan 8.150 nan 0.000 0.499 302 P HA 0.249 nan 4.420 nan 0.000 0.272 302 P C -0.753 176.313 177.300 -0.389 0.000 1.223 302 P CA 0.036 62.821 63.100 -0.526 0.000 0.784 302 P CB 0.665 31.600 31.700 -1.276 0.000 0.923 303 E N 0.754 120.790 120.200 -0.272 0.000 2.212 303 E HA 0.397 4.752 4.350 0.007 0.000 0.268 303 E C -0.824 175.544 176.600 -0.387 0.000 0.902 303 E CA -1.099 55.122 56.400 -0.298 0.000 0.779 303 E CB 1.362 30.926 29.700 -0.227 0.000 1.172 303 E HN 0.233 nan 8.360 nan 0.000 0.409 304 L N 3.313 124.213 121.223 -0.539 0.000 2.313 304 L HA 0.343 4.688 4.340 0.007 0.000 0.282 304 L C -1.441 174.956 176.870 -0.788 0.000 1.092 304 L CA 0.286 54.846 54.840 -0.466 0.000 0.831 304 L CB -0.297 41.588 42.059 -0.291 0.000 1.159 304 L HN 0.417 nan 8.230 nan 0.000 0.442 305 F N 3.943 123.657 119.950 -0.393 0.000 2.529 305 F HA 0.477 5.009 4.527 0.009 0.000 0.320 305 F C -0.088 175.450 175.800 -0.437 0.000 1.118 305 F CA -0.946 56.665 58.000 -0.649 0.000 0.915 305 F CB 1.751 39.916 39.000 -1.392 0.000 1.161 305 F HN -0.011 nan 8.300 nan 0.000 0.445 306 V N 4.778 124.602 119.914 -0.151 0.000 2.432 306 V HA 0.280 4.405 4.120 0.007 0.000 0.275 306 V C 0.125 176.336 176.094 0.195 0.000 1.043 306 V CA -0.730 61.582 62.300 0.020 0.000 0.925 306 V CB 1.225 33.090 31.823 0.071 0.000 0.985 306 V HN 0.529 nan 8.190 nan 0.000 0.466 307 L N 7.751 129.102 121.223 0.214 0.000 2.360 307 L HA 0.300 4.644 4.340 0.007 0.000 0.276 307 L C -2.079 174.892 176.870 0.169 0.000 1.121 307 L CA -1.502 53.492 54.840 0.256 0.000 0.845 307 L CB 0.420 42.560 42.059 0.135 0.000 1.143 307 L HN 0.438 nan 8.230 nan 0.000 0.452 308 P HA 0.080 nan 4.420 nan 0.000 0.267 308 P C -2.046 175.299 177.300 0.076 0.000 1.205 308 P CA -1.073 62.092 63.100 0.108 0.000 0.765 308 P CB 0.293 32.044 31.700 0.086 0.000 0.828 309 P HA -0.235 nan 4.420 nan 0.000 0.217 309 P C 1.331 178.658 177.300 0.046 0.000 1.151 309 P CA 1.451 64.589 63.100 0.063 0.000 0.849 309 P CB -0.189 31.550 31.700 0.066 0.000 0.787 310 E N -0.675 119.549 120.200 0.039 0.000 2.409 310 E HA -0.125 4.229 4.350 0.007 0.000 0.198 310 E C 1.340 177.952 176.600 0.020 0.000 1.024 310 E CA 0.964 57.380 56.400 0.027 0.000 0.861 310 E CB -0.788 28.925 29.700 0.022 0.000 0.788 310 E HN 0.199 nan 8.360 nan 0.000 0.521 311 L N 0.896 122.132 121.223 0.022 0.000 2.477 311 L HA 0.111 4.455 4.340 0.007 0.000 0.220 311 L C 0.690 177.570 176.870 0.015 0.000 1.106 311 L CA 0.371 55.218 54.840 0.012 0.000 0.851 311 L CB 0.377 42.434 42.059 -0.003 0.000 0.994 311 L HN -0.100 nan 8.230 nan 0.000 0.462 312 V N 1.767 121.692 119.914 0.019 0.000 2.304 312 V HA 0.188 4.313 4.120 0.007 0.000 0.262 312 V C 0.060 176.175 176.094 0.035 0.000 1.061 312 V CA -0.822 61.486 62.300 0.014 0.000 0.872 312 V CB 0.960 32.778 31.823 -0.009 0.000 1.077 312 V HN 0.004 nan 8.190 nan 0.000 0.480 313 L N 5.595 126.845 121.223 0.045 0.000 2.410 313 L HA 0.390 4.735 4.340 0.007 0.000 0.273 313 L C 0.239 177.144 176.870 0.060 0.000 1.144 313 L CA 0.799 55.662 54.840 0.037 0.000 0.863 313 L CB 0.285 42.361 42.059 0.028 0.000 1.140 313 L HN 0.648 nan 8.230 nan 0.000 0.463 314 E N 3.271 123.487 120.200 0.027 0.000 2.263 314 E HA 0.592 4.947 4.350 0.007 0.000 0.264 314 E C -1.402 175.147 176.600 -0.084 0.000 0.923 314 E CA -1.034 55.379 56.400 0.022 0.000 0.802 314 E CB 2.427 32.164 29.700 0.061 0.000 1.228 314 E HN 0.371 nan 8.360 nan 0.000 0.417 315 V N 3.039 122.873 119.914 -0.132 0.000 2.376 315 V HA 0.281 4.406 4.120 0.007 0.000 0.287 315 V C -2.437 173.596 176.094 -0.101 0.000 1.015 315 V CA -2.010 60.154 62.300 -0.226 0.000 0.834 315 V CB 1.244 32.710 31.823 -0.595 0.000 1.001 315 V HN 0.524 nan 8.190 nan 0.000 0.428 316 P HA 0.257 nan 4.420 nan 0.000 0.271 316 P C -0.565 176.745 177.300 0.017 0.000 1.220 316 P CA -0.093 62.980 63.100 -0.044 0.000 0.768 316 P CB 0.548 32.230 31.700 -0.030 0.000 0.848 317 L N 3.565 124.831 121.223 0.071 0.000 2.290 317 L HA 0.401 4.745 4.340 0.007 0.000 0.284 317 L C 1.129 178.142 176.870 0.239 0.000 1.078 317 L CA -0.108 54.835 54.840 0.172 0.000 0.815 317 L CB 0.288 42.506 42.059 0.266 0.000 1.162 317 L HN 0.491 nan 8.230 nan 0.000 0.435 318 E N 2.354 122.663 120.200 0.182 0.000 2.410 318 E HA 0.433 4.787 4.350 0.007 0.000 0.269 318 E C -1.296 175.310 176.600 0.011 0.000 0.937 318 E CA -0.936 55.572 56.400 0.179 0.000 0.793 318 E CB 2.257 32.052 29.700 0.159 0.000 1.314 318 E HN 0.483 nan 8.360 nan 0.000 0.447 319 H N 1.089 119.995 119.070 -0.274 0.000 2.492 319 H HA 0.256 4.817 4.556 0.008 0.000 0.345 319 H C -1.880 173.073 175.328 -0.624 0.000 1.136 319 H CA -2.391 53.327 56.048 -0.550 0.000 1.202 319 H CB 2.126 31.453 29.762 -0.725 0.000 1.524 319 H HN 0.413 nan 8.280 nan 0.000 0.506 320 P HA -0.111 nan 4.420 nan 0.000 0.220 320 P C 0.882 178.002 177.300 -0.299 0.000 1.148 320 P CA 1.703 64.260 63.100 -0.905 0.000 0.803 320 P CB 0.455 31.686 31.700 -0.782 0.000 0.782 321 T N -4.950 109.586 114.554 -0.030 0.000 2.980 321 T HA 0.198 4.553 4.350 0.007 0.000 0.252 321 T C 0.794 175.460 174.700 -0.056 0.000 0.962 321 T CA -0.226 61.868 62.100 -0.010 0.000 0.932 321 T CB -0.550 68.326 68.868 0.015 0.000 1.188 321 T HN -0.069 nan 8.240 nan 0.000 0.500 322 L N 2.792 123.922 121.223 -0.155 0.000 2.385 322 L HA 0.381 4.725 4.340 0.007 0.000 0.285 322 L C 1.255 177.788 176.870 -0.562 0.000 1.125 322 L CA -0.260 54.225 54.840 -0.591 0.000 0.890 322 L CB 0.453 41.750 42.059 -1.269 0.000 1.251 322 L HN 0.268 nan 8.230 nan 0.000 0.445 323 E N 3.418 123.443 120.200 -0.291 0.000 2.153 323 E HA -0.194 4.160 4.350 0.007 0.000 0.194 323 E C 1.567 178.125 176.600 -0.070 0.000 0.988 323 E CA 1.454 57.787 56.400 -0.111 0.000 0.811 323 E CB 0.042 29.751 29.700 0.015 0.000 0.746 323 E HN 0.811 nan 8.360 nan 0.000 0.466 324 W N -0.183 121.160 121.300 0.072 0.000 2.699 324 W HA -0.012 4.653 4.660 0.008 0.000 0.249 324 W C 1.426 178.002 176.519 0.095 0.000 1.280 324 W CA -0.210 57.171 57.345 0.061 0.000 1.345 324 W CB -0.784 28.690 29.460 0.023 0.000 1.128 324 W HN -0.048 nan 8.180 nan 0.000 0.642 325 F N 2.911 122.583 119.950 -0.463 0.000 2.171 325 F HA -0.051 4.481 4.527 0.007 0.000 0.300 325 F C 2.679 178.486 175.800 0.011 0.000 1.090 325 F CA 2.452 60.303 58.000 -0.249 0.000 1.293 325 F CB -0.687 38.001 39.000 -0.521 0.000 1.013 325 F HN -0.084 nan 8.300 nan 0.000 0.486 326 A N 0.453 123.413 122.820 0.233 0.000 1.927 326 A HA -0.224 4.100 4.320 0.007 0.000 0.220 326 A C 2.374 180.031 177.584 0.122 0.000 1.185 326 A CA 2.022 54.164 52.037 0.175 0.000 0.639 326 A CB -1.633 17.439 19.000 0.120 0.000 0.820 326 A HN 0.463 nan 8.150 nan 0.000 0.451 327 A N -1.248 121.650 122.820 0.130 0.000 2.186 327 A HA 0.036 4.360 4.320 0.007 0.000 0.219 327 A C 1.792 179.426 177.584 0.083 0.000 1.159 327 A CA 1.419 53.522 52.037 0.110 0.000 0.680 327 A CB -0.422 18.660 19.000 0.137 0.000 0.787 327 A HN 0.392 nan 8.150 nan 0.000 0.467 328 L N -1.070 120.183 121.223 0.050 0.000 2.275 328 L HA 0.076 4.420 4.340 0.007 0.000 0.215 328 L C 1.901 178.799 176.870 0.047 0.000 1.119 328 L CA 1.329 56.167 54.840 -0.004 0.000 0.790 328 L CB -1.338 40.607 42.059 -0.190 0.000 0.919 328 L HN 0.698 nan 8.230 nan 0.000 0.443 329 G N -0.529 108.306 108.800 0.058 0.000 2.176 329 G HA2 -0.280 3.684 3.960 0.007 0.000 0.252 329 G HA3 -0.280 3.684 3.960 0.007 0.000 0.252 329 G C 0.329 175.267 174.900 0.063 0.000 1.024 329 G CA 0.349 45.493 45.100 0.074 0.000 0.755 329 G HN 0.312 nan 8.290 nan 0.000 0.507 330 L N -0.106 121.133 121.223 0.025 0.000 2.399 330 L HA 0.815 5.159 4.340 0.007 0.000 0.266 330 L C 1.115 177.811 176.870 -0.290 0.000 1.114 330 L CA -0.734 54.068 54.840 -0.063 0.000 0.804 330 L CB 0.994 43.106 42.059 0.088 0.000 1.146 330 L HN 0.557 nan 8.230 nan 0.000 0.451 331 R N 1.125 121.214 120.500 -0.684 0.000 2.747 331 R HA 0.478 4.822 4.340 0.007 0.000 0.272 331 R C -2.094 174.129 176.300 -0.129 0.000 1.032 331 R CA -0.966 54.901 56.100 -0.388 0.000 0.896 331 R CB 1.831 31.852 30.300 -0.465 0.000 1.253 331 R HN 0.659 nan 8.270 nan 0.000 0.461 332 W N 1.331 122.573 121.300 -0.097 0.000 3.118 332 W HA 0.385 5.049 4.660 0.007 0.000 0.328 332 W C -1.158 175.447 176.519 0.144 0.000 1.239 332 W CA -0.968 56.404 57.345 0.045 0.000 1.176 332 W CB 2.021 31.430 29.460 -0.085 0.000 1.433 332 W HN 0.680 nan 8.180 nan 0.000 0.562 333 Y N 0.828 121.034 120.300 -0.156 0.000 2.298 333 Y HA 0.580 5.134 4.550 0.007 0.000 0.329 333 Y C 0.773 176.901 175.900 0.380 0.000 1.293 333 Y CA -0.011 58.106 58.100 0.028 0.000 1.388 333 Y CB 0.138 38.474 38.460 -0.207 0.000 1.309 333 Y HN 0.335 nan 8.280 nan 0.000 0.544 334 A N 1.279 124.373 122.820 0.456 0.000 2.030 334 A HA 0.138 4.463 4.320 0.007 0.000 0.215 334 A C 0.314 178.242 177.584 0.573 0.000 1.164 334 A CA 0.288 52.629 52.037 0.505 0.000 0.697 334 A CB -0.245 18.894 19.000 0.232 0.000 0.827 334 A HN 0.644 nan 8.150 nan 0.000 0.457 335 L N 1.742 123.268 121.223 0.506 0.000 2.276 335 L HA 0.472 4.816 4.340 0.007 0.000 0.286 335 L C -2.708 174.313 176.870 0.251 0.000 1.024 335 L CA -2.328 52.694 54.840 0.303 0.000 0.826 335 L CB 1.681 43.852 42.059 0.187 0.000 1.211 335 L HN -0.081 nan 8.230 nan 0.000 0.422 336 P HA 0.371 nan 4.420 nan 0.000 0.291 336 P C -1.437 175.766 177.300 -0.162 0.000 1.340 336 P CA -0.310 62.647 63.100 -0.238 0.000 0.799 336 P CB 1.335 32.538 31.700 -0.829 0.000 0.917 337 A N 4.219 126.954 122.820 -0.143 0.000 2.605 337 A HA 0.405 4.730 4.320 0.007 0.000 0.293 337 A C -0.389 176.970 177.584 -0.375 0.000 1.216 337 A CA -0.642 51.236 52.037 -0.266 0.000 0.742 337 A CB 0.688 19.559 19.000 -0.215 0.000 1.170 337 A HN 0.285 nan 8.150 nan 0.000 0.443 338 V N 2.803 122.319 119.914 -0.662 0.000 2.521 338 V HA 0.240 4.364 4.120 0.007 0.000 0.286 338 V C 1.172 176.881 176.094 -0.642 0.000 1.034 338 V CA 1.193 63.082 62.300 -0.684 0.000 1.045 338 V CB 1.056 32.306 31.823 -0.956 0.000 0.974 338 V HN 1.059 nan 8.190 nan 0.000 0.480 339 S N 1.799 117.328 115.700 -0.284 0.000 2.780 339 S HA 0.072 4.546 4.470 0.007 0.000 0.248 339 S C 0.719 175.311 174.600 -0.014 0.000 1.036 339 S CA 0.002 58.115 58.200 -0.146 0.000 1.061 339 S CB -0.412 62.734 63.200 -0.090 0.000 1.037 339 S HN 0.921 nan 8.310 nan 0.000 0.584 340 N N 0.377 119.078 118.700 0.001 0.000 2.204 340 N HA 0.319 5.063 4.740 0.007 0.000 0.219 340 N C 0.049 175.625 175.510 0.111 0.000 1.151 340 N CA -0.495 52.595 53.050 0.066 0.000 0.867 340 N CB 0.146 38.670 38.487 0.062 0.000 1.043 340 N HN 0.252 nan 8.380 nan 0.000 0.516 341 M N 1.328 121.016 119.600 0.147 0.000 2.359 341 M HA 0.311 4.795 4.480 0.007 0.000 0.322 341 M C -0.618 175.837 176.300 0.260 0.000 1.166 341 M CA -0.878 54.559 55.300 0.229 0.000 1.067 341 M CB 2.352 35.136 32.600 0.307 0.000 1.523 341 M HN 0.140 nan 8.290 nan 0.000 0.467 342 L N 3.050 124.402 121.223 0.216 0.000 2.275 342 L HA 0.452 4.796 4.340 0.007 0.000 0.288 342 L C -1.157 175.828 176.870 0.191 0.000 1.046 342 L CA -0.840 54.111 54.840 0.186 0.000 0.805 342 L CB 0.959 43.079 42.059 0.102 0.000 1.193 342 L HN 0.570 nan 8.230 nan 0.000 0.426 343 L N 5.512 126.850 121.223 0.191 0.000 2.260 343 L HA 0.403 4.747 4.340 0.007 0.000 0.289 343 L C -0.355 176.538 176.870 0.039 0.000 1.057 343 L CA 0.412 55.256 54.840 0.007 0.000 0.811 343 L CB 0.824 42.868 42.059 -0.025 0.000 1.184 343 L HN 0.647 nan 8.230 nan 0.000 0.429 344 E N 6.654 126.792 120.200 -0.103 0.000 2.151 344 E HA 0.414 4.769 4.350 0.007 0.000 0.275 344 E C -1.548 174.963 176.600 -0.147 0.000 0.936 344 E CA -0.464 55.890 56.400 -0.077 0.000 0.777 344 E CB 1.104 30.756 29.700 -0.080 0.000 1.108 344 E HN 0.721 nan 8.360 nan 0.000 0.401 345 I N 2.463 122.955 120.570 -0.131 0.000 2.512 345 I HA 0.263 4.438 4.170 0.007 0.000 0.287 345 I C 0.792 176.711 176.117 -0.330 0.000 1.069 345 I CA -0.722 60.373 61.300 -0.343 0.000 1.056 345 I CB 2.031 39.769 38.000 -0.437 0.000 1.229 345 I HN 0.782 nan 8.210 nan 0.000 0.429 346 G N 4.108 112.737 108.800 -0.285 0.000 2.321 346 G HA2 -0.134 3.830 3.960 0.007 0.000 0.287 346 G HA3 -0.134 3.830 3.960 0.007 0.000 0.287 346 G C 1.047 176.034 174.900 0.145 0.000 1.018 346 G CA 0.826 45.970 45.100 0.073 0.000 0.855 346 G HN 1.632 nan 8.290 nan 0.000 0.507 347 G N -2.045 106.773 108.800 0.029 0.000 2.199 347 G HA2 -0.246 3.718 3.960 0.007 0.000 0.254 347 G HA3 -0.246 3.718 3.960 0.007 0.000 0.254 347 G C 0.506 175.369 174.900 -0.061 0.000 0.982 347 G CA 0.507 45.621 45.100 0.023 0.000 0.632 347 G HN 1.274 nan 8.290 nan 0.000 0.529 348 L N 0.806 121.939 121.223 -0.149 0.000 2.371 348 L HA 0.513 4.858 4.340 0.007 0.000 0.272 348 L C 0.401 177.063 176.870 -0.348 0.000 1.124 348 L CA -0.307 54.326 54.840 -0.345 0.000 0.816 348 L CB 0.968 42.698 42.059 -0.549 0.000 1.129 348 L HN 0.168 nan 8.230 nan 0.000 0.448 349 E N 2.881 122.817 120.200 -0.441 0.000 2.114 349 E HA 0.293 4.648 4.350 0.007 0.000 0.266 349 E C -1.402 174.941 176.600 -0.429 0.000 0.896 349 E CA -0.380 55.840 56.400 -0.300 0.000 0.750 349 E CB 1.202 30.803 29.700 -0.164 0.000 1.121 349 E HN 0.275 nan 8.360 nan 0.000 0.413 350 F N 2.134 122.056 119.950 -0.047 0.000 2.351 350 F HA 0.071 4.603 4.527 0.009 0.000 0.362 350 F C 1.684 177.522 175.800 0.064 0.000 1.131 350 F CA -0.451 57.550 58.000 0.002 0.000 1.187 350 F CB 0.794 39.779 39.000 -0.025 0.000 1.434 350 F HN 0.403 nan 8.300 nan 0.000 0.553 351 S N 1.336 117.140 115.700 0.173 0.000 2.474 351 S HA 0.149 4.623 4.470 0.007 0.000 0.235 351 S C 0.826 175.558 174.600 0.221 0.000 0.997 351 S CA 0.368 58.666 58.200 0.163 0.000 0.949 351 S CB -0.019 63.253 63.200 0.121 0.000 0.766 351 S HN 0.487 nan 8.310 nan 0.000 0.517 352 A N 0.381 123.379 122.820 0.296 0.000 2.375 352 A HA 0.835 5.160 4.320 0.007 0.000 0.291 352 A C -0.215 177.614 177.584 0.408 0.000 1.160 352 A CA -0.202 52.039 52.037 0.340 0.000 0.747 352 A CB 1.129 20.325 19.000 0.327 0.000 1.170 352 A HN 1.062 nan 8.150 nan 0.000 0.458 353 A N 4.166 127.178 122.820 0.320 0.000 3.399 353 A HA 0.621 4.946 4.320 0.007 0.000 0.262 353 A C -3.078 174.650 177.584 0.239 0.000 1.145 353 A CA -0.889 51.290 52.037 0.236 0.000 0.916 353 A CB 0.332 19.463 19.000 0.218 0.000 1.360 353 A HN 0.506 nan 8.150 nan 0.000 0.628 354 P HA 0.394 nan 4.420 nan 0.000 0.268 354 P C -0.689 176.614 177.300 0.005 0.000 1.204 354 P CA 0.488 63.558 63.100 -0.049 0.000 0.768 354 P CB 0.185 31.799 31.700 -0.142 0.000 0.842 355 F N -0.071 119.810 119.950 -0.115 0.000 2.577 355 F HA 0.786 5.317 4.527 0.006 0.000 0.318 355 F C -0.472 175.238 175.800 -0.149 0.000 1.065 355 F CA -1.192 56.742 58.000 -0.109 0.000 0.929 355 F CB 1.764 40.592 39.000 -0.287 0.000 1.237 355 F HN 0.392 nan 8.300 nan 0.000 0.468 356 S N 0.675 116.442 115.700 0.112 0.000 2.556 356 S HA 0.935 5.409 4.470 0.007 0.000 0.271 356 S C -0.791 173.770 174.600 -0.065 0.000 1.135 356 S CA -0.111 58.095 58.200 0.011 0.000 0.858 356 S CB 1.488 64.783 63.200 0.158 0.000 1.114 356 S HN 1.466 nan 8.310 nan 0.000 0.468 357 G N 0.243 108.960 108.800 -0.137 0.000 3.366 357 G HA2 0.746 4.710 3.960 0.007 0.000 0.179 357 G HA3 0.746 4.710 3.960 0.007 0.000 0.179 357 G C -1.392 173.508 174.900 -0.001 0.000 1.143 357 G CA -0.332 44.626 45.100 -0.237 0.000 0.810 357 G HN 1.119 nan 8.290 nan 0.000 0.697 358 W N -1.805 119.493 121.300 -0.003 0.000 3.029 358 W HA 0.807 5.471 4.660 0.005 0.000 0.339 358 W C -1.773 174.741 176.519 -0.008 0.000 1.198 358 W CA -2.001 55.358 57.345 0.023 0.000 1.148 358 W CB 0.586 30.102 29.460 0.094 0.000 1.451 358 W HN 0.363 nan 8.180 nan 0.000 0.564 359 Y N 2.625 123.116 120.300 0.318 0.000 2.309 359 Y HA 0.306 4.860 4.550 0.008 0.000 0.327 359 Y C 0.823 176.779 175.900 0.093 0.000 1.172 359 Y CA -0.960 57.202 58.100 0.104 0.000 1.280 359 Y CB 1.337 39.766 38.460 -0.051 0.000 1.234 359 Y HN 0.449 nan 8.280 nan 0.000 0.512 360 M N 2.495 122.245 119.600 0.250 0.000 2.188 360 M HA 0.178 4.662 4.480 0.007 0.000 0.357 360 M C 1.060 177.358 176.300 -0.004 0.000 1.204 360 M CA -0.094 55.280 55.300 0.124 0.000 1.095 360 M CB 1.013 33.662 32.600 0.082 0.000 1.604 360 M HN 0.816 nan 8.290 nan 0.000 0.464 361 S N 1.187 116.850 115.700 -0.061 0.000 2.419 361 S HA -0.154 4.320 4.470 0.007 0.000 0.235 361 S C 1.432 175.898 174.600 -0.223 0.000 1.019 361 S CA 1.791 59.875 58.200 -0.193 0.000 0.982 361 S CB -1.178 61.946 63.200 -0.127 0.000 0.789 361 S HN 0.925 nan 8.310 nan 0.000 0.490 362 T N 0.099 114.553 114.554 -0.167 0.000 2.951 362 T HA 0.046 4.400 4.350 0.007 0.000 0.268 362 T C 1.547 176.089 174.700 -0.264 0.000 1.073 362 T CA 0.993 62.946 62.100 -0.244 0.000 1.134 362 T CB -0.523 68.164 68.868 -0.302 0.000 0.884 362 T HN 0.560 nan 8.240 nan 0.000 0.479 363 E N 0.995 121.058 120.200 -0.229 0.000 2.085 363 E HA -0.072 4.283 4.350 0.007 0.000 0.194 363 E C 1.968 178.284 176.600 -0.472 0.000 0.994 363 E CA 1.400 57.657 56.400 -0.238 0.000 0.801 363 E CB -0.331 29.354 29.700 -0.025 0.000 0.743 363 E HN 0.593 nan 8.360 nan 0.000 0.453 364 I N -0.005 120.160 120.570 -0.674 0.000 2.368 364 I HA -0.044 4.130 4.170 0.007 0.000 0.238 364 I C 2.573 178.335 176.117 -0.592 0.000 1.076 364 I CA 0.902 61.632 61.300 -0.950 0.000 1.397 364 I CB -0.458 36.862 38.000 -1.133 0.000 1.141 364 I HN 0.095 nan 8.210 nan 0.000 0.430 365 G N -0.072 108.485 108.800 -0.405 0.000 2.443 365 G HA2 -0.144 3.820 3.960 0.007 0.000 0.219 365 G HA3 -0.144 3.820 3.960 0.007 0.000 0.219 365 G C 1.566 176.352 174.900 -0.190 0.000 1.131 365 G CA 1.449 46.405 45.100 -0.239 0.000 0.775 365 G HN 0.299 nan 8.290 nan 0.000 0.547 366 T N -0.287 114.129 114.554 -0.230 0.000 3.082 366 T HA 0.117 4.471 4.350 0.007 0.000 0.235 366 T C 2.501 177.090 174.700 -0.186 0.000 0.991 366 T CA 0.105 62.091 62.100 -0.189 0.000 1.220 366 T CB 0.114 68.852 68.868 -0.216 0.000 0.909 366 T HN -0.005 nan 8.240 nan 0.000 0.424 367 R N 2.057 122.423 120.500 -0.223 0.000 2.055 367 R HA 0.155 4.500 4.340 0.007 0.000 0.228 367 R C 2.124 178.300 176.300 -0.207 0.000 1.143 367 R CA 1.094 57.073 56.100 -0.202 0.000 0.945 367 R CB -1.131 29.048 30.300 -0.202 0.000 0.841 367 R HN 0.319 nan 8.270 nan 0.000 0.429 368 N N 0.947 119.468 118.700 -0.298 0.000 2.142 368 N HA -0.063 4.682 4.740 0.007 0.000 0.186 368 N C 1.967 177.408 175.510 -0.115 0.000 1.023 368 N CA 0.964 53.846 53.050 -0.281 0.000 0.852 368 N CB -0.199 37.825 38.487 -0.772 0.000 0.998 368 N HN 0.176 nan 8.380 nan 0.000 0.424 369 L N -0.689 120.419 121.223 -0.190 0.000 2.249 369 L HA 0.050 4.394 4.340 0.007 0.000 0.207 369 L C 1.244 178.140 176.870 0.043 0.000 1.090 369 L CA 0.551 55.378 54.840 -0.021 0.000 0.802 369 L CB 0.134 42.156 42.059 -0.061 0.000 0.947 369 L HN 0.174 nan 8.230 nan 0.000 0.453 370 C N -1.579 117.706 119.300 -0.025 0.000 3.228 370 C HA 0.185 4.650 4.460 0.007 0.000 0.290 370 C C 0.645 175.624 174.990 -0.020 0.000 1.301 370 C CA -0.985 58.033 59.018 -0.000 0.000 1.703 370 C CB -0.337 27.391 27.740 -0.020 0.000 2.141 370 C HN 0.289 nan 8.230 nan 0.000 0.656 371 D N 3.102 123.459 120.400 -0.073 0.000 2.472 371 D HA 0.040 4.685 4.640 0.007 0.000 0.237 371 D C -1.134 175.155 176.300 -0.017 0.000 1.141 371 D CA -1.174 52.767 54.000 -0.098 0.000 0.875 371 D CB 0.679 41.258 40.800 -0.368 0.000 1.192 371 D HN 0.175 nan 8.370 nan 0.000 0.450 372 P HA -0.148 nan 4.420 nan 0.000 0.220 372 P C 0.632 178.032 177.300 0.167 0.000 1.148 372 P CA 1.304 64.489 63.100 0.142 0.000 0.803 372 P CB -0.008 31.784 31.700 0.154 0.000 0.782 373 H N -2.441 116.637 119.070 0.013 0.000 2.505 373 H HA 0.372 4.933 4.556 0.007 0.000 0.289 373 H C 0.958 176.293 175.328 0.012 0.000 1.052 373 H CA -0.330 55.724 56.048 0.009 0.000 1.156 373 H CB -0.058 29.710 29.762 0.009 0.000 1.507 373 H HN -0.033 nan 8.280 nan 0.000 0.548 374 R N -0.223 120.164 120.500 -0.189 0.000 3.066 374 R HA 0.188 4.533 4.340 0.007 0.000 0.143 374 R C 0.913 177.187 176.300 -0.043 0.000 1.187 374 R CA -0.718 55.313 56.100 -0.114 0.000 0.722 374 R CB -0.790 29.451 30.300 -0.099 0.000 1.366 374 R HN 0.088 nan 8.270 nan 0.000 0.421 375 Y N 1.707 122.014 120.300 0.011 0.000 2.571 375 Y HA -0.000 4.554 4.550 0.007 0.000 0.294 375 Y C 0.642 176.559 175.900 0.030 0.000 1.141 375 Y CA 1.053 59.175 58.100 0.037 0.000 1.308 375 Y CB -0.311 38.209 38.460 0.100 0.000 1.002 375 Y HN 0.537 nan 8.280 nan 0.000 0.551 376 N N 0.996 119.778 118.700 0.136 0.000 2.688 376 N HA -0.226 4.519 4.740 0.007 0.000 0.258 376 N C 0.454 176.039 175.510 0.125 0.000 1.016 376 N CA 0.389 53.500 53.050 0.101 0.000 0.747 376 N CB -1.010 37.521 38.487 0.073 0.000 0.895 376 N HN 0.626 nan 8.380 nan 0.000 0.543 377 I N -2.956 117.699 120.570 0.141 0.000 3.928 377 I HA 0.051 4.225 4.170 0.007 0.000 0.335 377 I C 1.543 177.752 176.117 0.152 0.000 1.325 377 I CA -0.540 60.844 61.300 0.140 0.000 1.107 377 I CB 0.048 38.135 38.000 0.145 0.000 1.014 377 I HN 0.087 nan 8.210 nan 0.000 0.400 378 L N 1.992 123.315 121.223 0.166 0.000 1.990 378 L HA -0.225 4.119 4.340 0.007 0.000 0.213 378 L C 2.648 179.727 176.870 0.348 0.000 1.072 378 L CA 2.352 57.328 54.840 0.226 0.000 0.755 378 L CB -1.101 41.061 42.059 0.172 0.000 0.889 378 L HN 0.581 nan 8.230 nan 0.000 0.432 379 E N -1.055 119.354 120.200 0.349 0.000 2.077 379 E HA -0.230 4.124 4.350 0.007 0.000 0.193 379 E C 1.695 178.336 176.600 0.068 0.000 0.989 379 E CA 1.320 57.848 56.400 0.213 0.000 0.800 379 E CB 0.005 29.763 29.700 0.096 0.000 0.746 379 E HN 0.462 nan 8.360 nan 0.000 0.452 380 D N 0.324 120.765 120.400 0.069 0.000 2.116 380 D HA -0.166 4.479 4.640 0.007 0.000 0.193 380 D C 2.084 178.387 176.300 0.006 0.000 0.998 380 D CA 1.389 55.397 54.000 0.014 0.000 0.836 380 D CB -0.254 40.562 40.800 0.026 0.000 0.951 380 D HN 0.149 nan 8.370 nan 0.000 0.449 381 V N 1.257 121.227 119.914 0.093 0.000 2.453 381 V HA -0.162 3.962 4.120 0.007 0.000 0.247 381 V C 2.496 178.677 176.094 0.144 0.000 1.048 381 V CA 1.496 63.894 62.300 0.162 0.000 1.049 381 V CB -0.670 31.325 31.823 0.286 0.000 0.672 381 V HN 0.171 nan 8.190 nan 0.000 0.457 382 A N -0.039 122.883 122.820 0.170 0.000 1.908 382 A HA -0.175 4.150 4.320 0.007 0.000 0.218 382 A C 2.410 179.978 177.584 -0.027 0.000 1.181 382 A CA 2.132 54.262 52.037 0.154 0.000 0.627 382 A CB -0.715 18.472 19.000 0.312 0.000 0.818 382 A HN 0.324 nan 8.150 nan 0.000 0.445 383 V N -0.550 119.301 119.914 -0.105 0.000 2.287 383 V HA -0.363 3.762 4.120 0.007 0.000 0.248 383 V C 2.675 178.617 176.094 -0.252 0.000 1.053 383 V CA 2.191 64.383 62.300 -0.178 0.000 1.027 383 V CB -1.138 30.582 31.823 -0.172 0.000 0.646 383 V HN 0.729 nan 8.190 nan 0.000 0.447 384 C N -0.311 118.769 119.300 -0.367 0.000 2.411 384 C HA -0.174 4.290 4.460 0.007 0.000 0.279 384 C C 2.585 177.189 174.990 -0.644 0.000 1.288 384 C CA 1.052 59.609 59.018 -0.768 0.000 1.764 384 C CB -1.151 25.711 27.740 -1.463 0.000 1.974 384 C HN 0.546 nan 8.230 nan 0.000 0.498 385 M N 0.169 119.626 119.600 -0.238 0.000 2.618 385 M HA 0.060 4.544 4.480 0.007 0.000 0.240 385 M C 0.485 176.764 176.300 -0.035 0.000 1.123 385 M CA 0.813 56.114 55.300 0.000 0.000 1.060 385 M CB -0.507 32.201 32.600 0.179 0.000 1.535 385 M HN 0.250 nan 8.290 nan 0.000 0.507 386 D N 1.470 121.804 120.400 -0.111 0.000 2.716 386 D HA -0.144 4.500 4.640 0.007 0.000 0.239 386 D C -0.969 175.302 176.300 -0.048 0.000 1.125 386 D CA 0.454 54.400 54.000 -0.090 0.000 0.681 386 D CB -0.845 39.910 40.800 -0.073 0.000 1.070 386 D HN 0.329 nan 8.370 nan 0.000 0.432 387 L N -0.236 120.964 121.223 -0.039 0.000 2.416 387 L HA 0.402 4.747 4.340 0.007 0.000 0.262 387 L C 0.930 177.749 176.870 -0.087 0.000 1.093 387 L CA -0.900 53.940 54.840 0.001 0.000 0.801 387 L CB 0.721 42.849 42.059 0.114 0.000 1.191 387 L HN -0.000 nan 8.230 nan 0.000 0.459 388 D N 0.665 121.036 120.400 -0.048 0.000 2.416 388 D HA 0.013 4.657 4.640 0.007 0.000 0.240 388 D C 1.013 177.140 176.300 -0.288 0.000 1.250 388 D CA -0.124 53.809 54.000 -0.112 0.000 0.967 388 D CB 0.759 41.546 40.800 -0.022 0.000 1.059 388 D HN 0.604 nan 8.370 nan 0.000 0.512 389 T N 0.748 114.953 114.554 -0.582 0.000 3.148 389 T HA 0.064 4.418 4.350 0.007 0.000 0.253 389 T C 1.334 175.651 174.700 -0.638 0.000 1.134 389 T CA 0.037 61.360 62.100 -1.296 0.000 1.051 389 T CB 0.083 68.141 68.868 -1.350 0.000 0.959 389 T HN 0.150 nan 8.240 nan 0.000 0.525 390 R N 0.723 121.055 120.500 -0.280 0.000 2.300 390 R HA 0.324 4.668 4.340 0.007 0.000 0.199 390 R C 0.830 177.142 176.300 0.019 0.000 0.920 390 R CA 0.181 56.217 56.100 -0.106 0.000 1.046 390 R CB 0.238 30.486 30.300 -0.086 0.000 0.984 390 R HN 0.372 nan 8.270 nan 0.000 0.493 391 T N -1.363 113.244 114.554 0.089 0.000 2.912 391 T HA 0.176 4.531 4.350 0.007 0.000 0.299 391 T C 1.129 176.002 174.700 0.287 0.000 1.052 391 T CA -0.480 61.714 62.100 0.156 0.000 0.996 391 T CB 1.545 70.470 68.868 0.094 0.000 1.070 391 T HN 0.217 nan 8.240 nan 0.000 0.465 392 T N 0.818 115.497 114.554 0.207 0.000 2.821 392 T HA -0.086 4.269 4.350 0.007 0.000 0.267 392 T C 1.949 176.709 174.700 0.100 0.000 1.046 392 T CA 1.606 63.794 62.100 0.146 0.000 1.139 392 T CB -0.662 68.247 68.868 0.068 0.000 0.871 392 T HN 0.667 nan 8.240 nan 0.000 0.454 393 S N 1.918 117.673 115.700 0.092 0.000 2.607 393 S HA 0.042 4.516 4.470 0.007 0.000 0.224 393 S C 2.043 176.691 174.600 0.079 0.000 0.969 393 S CA 0.472 58.710 58.200 0.063 0.000 0.927 393 S CB -0.691 62.538 63.200 0.048 0.000 0.772 393 S HN 0.738 nan 8.310 nan 0.000 0.533 394 S N 1.829 117.609 115.700 0.134 0.000 2.489 394 S HA 0.173 4.647 4.470 0.007 0.000 0.228 394 S C 0.974 175.657 174.600 0.138 0.000 0.995 394 S CA 0.213 58.502 58.200 0.147 0.000 0.934 394 S CB -0.958 62.364 63.200 0.204 0.000 0.771 394 S HN 0.610 nan 8.310 nan 0.000 0.522 395 L N 0.855 122.133 121.223 0.092 0.000 3.717 395 L HA -0.159 4.186 4.340 0.007 0.000 0.411 395 L C 1.534 178.418 176.870 0.024 0.000 1.233 395 L CA 0.618 55.453 54.840 -0.008 0.000 0.917 395 L CB -2.437 39.625 42.059 0.004 0.000 1.902 395 L HN 0.744 nan 8.230 nan 0.000 0.894 396 W N -0.069 121.243 121.300 0.020 0.000 2.402 396 W HA -0.124 4.540 4.660 0.007 0.000 0.286 396 W C 1.675 178.213 176.519 0.031 0.000 1.221 396 W CA 1.276 58.637 57.345 0.025 0.000 1.257 396 W CB -0.629 28.842 29.460 0.019 0.000 1.120 396 W HN 0.279 nan 8.180 nan 0.000 0.551 397 K N 0.988 120.965 120.400 -0.705 0.000 2.103 397 K HA -0.130 4.194 4.320 0.007 0.000 0.204 397 K C 1.521 177.983 176.600 -0.230 0.000 1.052 397 K CA 2.160 58.072 56.287 -0.625 0.000 0.945 397 K CB -0.273 31.695 32.500 -0.887 0.000 0.722 397 K HN 0.013 nan 8.250 nan 0.000 0.443 398 D N 0.754 121.042 120.400 -0.187 0.000 2.117 398 D HA -0.117 4.527 4.640 0.007 0.000 0.198 398 D C 1.595 177.887 176.300 -0.014 0.000 0.982 398 D CA 1.155 55.101 54.000 -0.089 0.000 0.828 398 D CB 0.060 40.816 40.800 -0.072 0.000 0.967 398 D HN 0.093 nan 8.370 nan 0.000 0.464 399 K N 0.501 120.919 120.400 0.030 0.000 2.025 399 K HA -0.014 4.310 4.320 0.007 0.000 0.207 399 K C 2.206 178.874 176.600 0.114 0.000 1.049 399 K CA 1.130 57.467 56.287 0.082 0.000 0.933 399 K CB -0.155 32.416 32.500 0.118 0.000 0.714 399 K HN 0.086 nan 8.250 nan 0.000 0.438 400 A N 1.658 124.563 122.820 0.143 0.000 1.858 400 A HA -0.120 4.204 4.320 0.007 0.000 0.216 400 A C 2.418 180.090 177.584 0.146 0.000 1.190 400 A CA 1.856 54.007 52.037 0.190 0.000 0.617 400 A CB -0.861 18.285 19.000 0.243 0.000 0.827 400 A HN 0.328 nan 8.150 nan 0.000 0.443 401 A N -0.480 122.384 122.820 0.073 0.000 1.903 401 A HA -0.132 4.192 4.320 0.007 0.000 0.219 401 A C 2.258 179.859 177.584 0.028 0.000 1.191 401 A CA 2.168 54.221 52.037 0.027 0.000 0.638 401 A CB -1.188 17.789 19.000 -0.039 0.000 0.823 401 A HN 0.471 nan 8.150 nan 0.000 0.451 402 V N 0.218 120.154 119.914 0.036 0.000 2.287 402 V HA -0.234 3.890 4.120 0.007 0.000 0.248 402 V C 2.566 178.697 176.094 0.062 0.000 1.053 402 V CA 2.263 64.589 62.300 0.044 0.000 1.027 402 V CB -0.699 31.157 31.823 0.055 0.000 0.646 402 V HN 0.553 nan 8.190 nan 0.000 0.447 403 E N -0.331 119.936 120.200 0.111 0.000 2.152 403 E HA -0.069 4.286 4.350 0.007 0.000 0.192 403 E C 2.108 178.758 176.600 0.085 0.000 0.983 403 E CA 0.970 57.468 56.400 0.163 0.000 0.818 403 E CB -0.203 29.608 29.700 0.184 0.000 0.758 403 E HN 0.591 nan 8.360 nan 0.000 0.467 404 I N 1.534 122.177 120.570 0.123 0.000 2.252 404 I HA -0.230 3.945 4.170 0.007 0.000 0.245 404 I C 2.099 178.204 176.117 -0.021 0.000 1.102 404 I CA 0.777 62.148 61.300 0.119 0.000 1.385 404 I CB -0.254 37.873 38.000 0.212 0.000 1.064 404 I HN 0.062 nan 8.210 nan 0.000 0.414 405 N N 0.691 119.371 118.700 -0.033 0.000 2.188 405 N HA -0.156 4.588 4.740 0.007 0.000 0.184 405 N C 1.933 177.396 175.510 -0.079 0.000 1.018 405 N CA 1.097 54.106 53.050 -0.068 0.000 0.858 405 N CB -0.082 38.376 38.487 -0.049 0.000 0.989 405 N HN 0.207 nan 8.380 nan 0.000 0.426 406 L N 1.600 122.768 121.223 -0.091 0.000 2.046 406 L HA -0.057 4.287 4.340 0.007 0.000 0.208 406 L C 2.290 179.007 176.870 -0.255 0.000 1.077 406 L CA 1.312 56.054 54.840 -0.163 0.000 0.747 406 L CB -0.664 41.265 42.059 -0.216 0.000 0.896 406 L HN 0.043 nan 8.230 nan 0.000 0.432 407 A N -1.039 121.571 122.820 -0.351 0.000 1.865 407 A HA -0.197 4.128 4.320 0.007 0.000 0.217 407 A C 2.280 179.792 177.584 -0.120 0.000 1.191 407 A CA 2.237 54.037 52.037 -0.395 0.000 0.623 407 A CB -1.245 17.270 19.000 -0.810 0.000 0.826 407 A HN 0.281 nan 8.150 nan 0.000 0.444 408 V N -0.044 119.815 119.914 -0.091 0.000 2.282 408 V HA -0.304 3.820 4.120 0.007 0.000 0.249 408 V C 2.614 178.712 176.094 0.007 0.000 1.057 408 V CA 2.208 64.494 62.300 -0.024 0.000 1.032 408 V CB -0.772 30.957 31.823 -0.156 0.000 0.645 408 V HN 0.572 nan 8.190 nan 0.000 0.447 409 L N -0.738 120.458 121.223 -0.046 0.000 2.017 409 L HA -0.220 4.124 4.340 0.007 0.000 0.208 409 L C 2.591 179.487 176.870 0.044 0.000 1.073 409 L CA 2.178 57.009 54.840 -0.015 0.000 0.745 409 L CB -0.765 41.278 42.059 -0.027 0.000 0.894 409 L HN 0.507 nan 8.230 nan 0.000 0.432 410 H N -0.606 118.415 119.070 -0.081 0.000 2.321 410 H HA -0.144 4.417 4.556 0.008 0.000 0.300 410 H C 2.321 177.632 175.328 -0.027 0.000 1.087 410 H CA 2.013 58.008 56.048 -0.090 0.000 1.319 410 H CB 0.041 29.685 29.762 -0.197 0.000 1.379 410 H HN 0.148 nan 8.280 nan 0.000 0.501 411 S N -0.368 115.307 115.700 -0.042 0.000 2.368 411 S HA -0.096 4.378 4.470 0.007 0.000 0.224 411 S C 1.853 176.436 174.600 -0.028 0.000 1.029 411 S CA 1.144 59.306 58.200 -0.064 0.000 0.988 411 S CB -0.414 62.841 63.200 0.091 0.000 0.838 411 S HN 0.323 nan 8.310 nan 0.000 0.462 412 F N 1.980 121.872 119.950 -0.096 0.000 2.134 412 F HA -0.086 4.445 4.527 0.007 0.000 0.299 412 F C 2.624 178.369 175.800 -0.092 0.000 1.097 412 F CA 1.006 58.971 58.000 -0.059 0.000 1.264 412 F CB -0.682 38.309 39.000 -0.016 0.000 1.001 412 F HN 0.195 nan 8.300 nan 0.000 0.479 413 Q N -0.379 119.450 119.800 0.048 0.000 2.020 413 Q HA -0.225 4.119 4.340 0.007 0.000 0.202 413 Q C 2.254 178.187 176.000 -0.113 0.000 0.982 413 Q CA 1.699 57.477 55.803 -0.041 0.000 0.838 413 Q CB -0.586 28.117 28.738 -0.059 0.000 0.899 413 Q HN 0.328 nan 8.270 nan 0.000 0.423 414 L N 0.380 121.475 121.223 -0.214 0.000 2.013 414 L HA -0.192 4.153 4.340 0.007 0.000 0.212 414 L C 1.977 178.759 176.870 -0.147 0.000 1.073 414 L CA 2.103 56.811 54.840 -0.220 0.000 0.753 414 L CB -0.553 41.296 42.059 -0.350 0.000 0.890 414 L HN 0.185 nan 8.230 nan 0.000 0.432 415 A N -1.276 121.452 122.820 -0.153 0.000 2.239 415 A HA -0.053 4.272 4.320 0.007 0.000 0.209 415 A C 0.827 178.340 177.584 -0.119 0.000 1.171 415 A CA 0.353 52.303 52.037 -0.146 0.000 0.768 415 A CB -0.424 18.449 19.000 -0.212 0.000 0.790 415 A HN 0.483 nan 8.150 nan 0.000 0.478 416 K N -0.920 119.423 120.400 -0.095 0.000 3.148 416 K HA -0.144 4.181 4.320 0.007 0.000 0.267 416 K C -0.588 175.976 176.600 -0.060 0.000 0.996 416 K CA 0.816 57.062 56.287 -0.069 0.000 0.737 416 K CB -2.632 29.829 32.500 -0.065 0.000 1.308 416 K HN 0.294 nan 8.250 nan 0.000 0.470 417 V N 0.962 120.847 119.914 -0.048 0.000 2.483 417 V HA 0.173 4.298 4.120 0.007 0.000 0.295 417 V C 0.958 177.132 176.094 0.134 0.000 1.035 417 V CA -0.672 61.630 62.300 0.003 0.000 0.896 417 V CB 1.988 33.727 31.823 -0.139 0.000 0.986 417 V HN 0.280 nan 8.190 nan 0.000 0.447 418 T N 5.858 120.465 114.554 0.088 0.000 2.902 418 T HA 0.457 4.812 4.350 0.007 0.000 0.301 418 T C -0.283 174.499 174.700 0.137 0.000 1.012 418 T CA 0.771 62.850 62.100 -0.035 0.000 1.151 418 T CB 0.071 68.780 68.868 -0.265 0.000 0.946 418 T HN 0.544 nan 8.240 nan 0.000 0.542 419 I N 2.402 122.989 120.570 0.027 0.000 2.908 419 I HA 0.586 4.761 4.170 0.007 0.000 0.300 419 I C -1.560 174.594 176.117 0.061 0.000 1.385 419 I CA -0.917 60.436 61.300 0.087 0.000 1.004 419 I CB 1.974 39.956 38.000 -0.030 0.000 1.309 419 I HN 0.417 nan 8.210 nan 0.000 0.449 420 V N 5.434 125.444 119.914 0.161 0.000 2.531 420 V HA 0.450 4.574 4.120 0.007 0.000 0.301 420 V C -0.972 175.174 176.094 0.087 0.000 1.034 420 V CA -0.321 62.068 62.300 0.149 0.000 0.865 420 V CB 2.018 34.017 31.823 0.293 0.000 0.995 420 V HN 0.872 nan 8.190 nan 0.000 0.424 421 D N 4.349 124.773 120.400 0.039 0.000 2.371 421 D HA 0.085 4.730 4.640 0.007 0.000 0.242 421 D C 1.241 177.522 176.300 -0.032 0.000 1.218 421 D CA 0.376 54.373 54.000 -0.005 0.000 0.945 421 D CB 0.402 41.171 40.800 -0.053 0.000 1.137 421 D HN 0.730 nan 8.370 nan 0.000 0.464 422 H N -0.566 118.432 119.070 -0.119 0.000 2.502 422 H HA -0.070 4.491 4.556 0.007 0.000 0.283 422 H C 1.030 176.257 175.328 -0.168 0.000 1.015 422 H CA 1.011 56.958 56.048 -0.167 0.000 1.298 422 H CB -0.497 29.112 29.762 -0.255 0.000 1.411 422 H HN 0.508 nan 8.280 nan 0.000 0.556 423 H N 1.358 120.198 119.070 -0.382 0.000 2.307 423 H HA 0.117 4.678 4.556 0.007 0.000 0.303 423 H C 2.501 177.801 175.328 -0.046 0.000 1.073 423 H CA 1.364 57.306 56.048 -0.176 0.000 1.338 423 H CB -0.295 29.340 29.762 -0.211 0.000 1.389 423 H HN 0.489 nan 8.280 nan 0.000 0.503 424 A N 1.453 124.323 122.820 0.084 0.000 1.902 424 A HA -0.100 4.224 4.320 0.007 0.000 0.217 424 A C 2.691 180.342 177.584 0.112 0.000 1.181 424 A CA 1.816 53.906 52.037 0.089 0.000 0.623 424 A CB -0.819 18.225 19.000 0.073 0.000 0.818 424 A HN 0.439 nan 8.150 nan 0.000 0.443 425 A N -0.348 122.535 122.820 0.106 0.000 1.933 425 A HA -0.084 4.240 4.320 0.007 0.000 0.218 425 A C 2.412 180.089 177.584 0.155 0.000 1.175 425 A CA 2.459 54.578 52.037 0.136 0.000 0.628 425 A CB -1.252 17.816 19.000 0.114 0.000 0.814 425 A HN 0.728 nan 8.150 nan 0.000 0.444 426 T N -3.075 111.557 114.554 0.130 0.000 2.942 426 T HA -0.020 4.334 4.350 0.007 0.000 0.265 426 T C 1.680 176.509 174.700 0.214 0.000 1.062 426 T CA 1.105 63.308 62.100 0.171 0.000 1.139 426 T CB -0.587 68.349 68.868 0.114 0.000 0.883 426 T HN 0.028 nan 8.240 nan 0.000 0.468 427 V N 2.819 122.833 119.914 0.166 0.000 2.332 427 V HA -0.189 3.935 4.120 0.007 0.000 0.248 427 V C 3.201 179.385 176.094 0.149 0.000 1.055 427 V CA 2.206 64.594 62.300 0.146 0.000 1.038 427 V CB -0.882 31.009 31.823 0.115 0.000 0.651 427 V HN 0.793 nan 8.190 nan 0.000 0.450 428 S N -0.530 115.269 115.700 0.166 0.000 2.406 428 S HA -0.196 4.278 4.470 0.007 0.000 0.228 428 S C 1.964 176.687 174.600 0.204 0.000 1.020 428 S CA 1.384 59.682 58.200 0.165 0.000 0.965 428 S CB -0.646 62.655 63.200 0.169 0.000 0.798 428 S HN 0.523 nan 8.310 nan 0.000 0.488 429 F N 2.007 122.018 119.950 0.101 0.000 2.234 429 F HA 0.112 4.643 4.527 0.007 0.000 0.299 429 F C 2.162 178.050 175.800 0.146 0.000 1.087 429 F CA 1.132 59.205 58.000 0.122 0.000 1.340 429 F CB -0.285 38.766 39.000 0.084 0.000 1.031 429 F HN 0.138 nan 8.300 nan 0.000 0.500 430 M N 0.041 119.710 119.600 0.114 0.000 2.175 430 M HA -0.157 4.328 4.480 0.007 0.000 0.264 430 M C 2.203 178.480 176.300 -0.039 0.000 1.063 430 M CA 1.409 56.725 55.300 0.026 0.000 1.119 430 M CB -1.210 31.450 32.600 0.100 0.000 1.377 430 M HN 0.051 nan 8.290 nan 0.000 0.415 431 K N -0.097 120.310 120.400 0.013 0.000 2.026 431 K HA -0.206 4.119 4.320 0.007 0.000 0.208 431 K C 1.990 178.576 176.600 -0.024 0.000 1.048 431 K CA 1.875 58.166 56.287 0.007 0.000 0.929 431 K CB -0.822 31.705 32.500 0.045 0.000 0.713 431 K HN 0.404 nan 8.250 nan 0.000 0.439 432 H N 0.079 119.068 119.070 -0.134 0.000 2.352 432 H HA -0.040 4.520 4.556 0.007 0.000 0.299 432 H C 1.780 176.953 175.328 -0.259 0.000 1.097 432 H CA 2.296 58.237 56.048 -0.179 0.000 1.311 432 H CB -0.214 29.418 29.762 -0.217 0.000 1.377 432 H HN 0.180 nan 8.280 nan 0.000 0.504 433 L N -0.217 120.730 121.223 -0.459 0.000 2.042 433 L HA -0.179 4.166 4.340 0.007 0.000 0.210 433 L C 2.354 179.067 176.870 -0.263 0.000 1.076 433 L CA 1.688 56.274 54.840 -0.422 0.000 0.749 433 L CB -0.504 41.366 42.059 -0.314 0.000 0.893 433 L HN 0.391 nan 8.230 nan 0.000 0.432 434 D N 0.155 120.449 120.400 -0.177 0.000 2.104 434 D HA -0.197 4.447 4.640 0.007 0.000 0.194 434 D C 1.895 178.122 176.300 -0.122 0.000 0.994 434 D CA 1.338 55.270 54.000 -0.113 0.000 0.830 434 D CB -0.017 40.744 40.800 -0.065 0.000 0.959 434 D HN 0.152 nan 8.370 nan 0.000 0.452 435 N N 0.512 119.129 118.700 -0.139 0.000 2.104 435 N HA -0.139 4.606 4.740 0.007 0.000 0.190 435 N C 1.628 177.052 175.510 -0.144 0.000 1.024 435 N CA 0.926 53.911 53.050 -0.108 0.000 0.853 435 N CB -0.282 38.167 38.487 -0.063 0.000 1.008 435 N HN 0.368 nan 8.380 nan 0.000 0.424 436 E N 0.525 120.560 120.200 -0.275 0.000 2.216 436 E HA -0.115 4.239 4.350 0.007 0.000 0.192 436 E C 1.857 178.358 176.600 -0.165 0.000 0.988 436 E CA 0.348 56.588 56.400 -0.266 0.000 0.834 436 E CB -0.053 29.375 29.700 -0.453 0.000 0.772 436 E HN 0.329 nan 8.360 nan 0.000 0.479 437 Q N 1.678 121.389 119.800 -0.147 0.000 2.061 437 Q HA -0.151 4.193 4.340 0.007 0.000 0.204 437 Q C 1.790 177.745 176.000 -0.075 0.000 0.984 437 Q CA 1.800 57.547 55.803 -0.094 0.000 0.846 437 Q CB 0.024 28.717 28.738 -0.076 0.000 0.902 437 Q HN 0.119 nan 8.270 nan 0.000 0.421 438 K N -0.644 119.714 120.400 -0.070 0.000 2.025 438 K HA -0.036 4.289 4.320 0.007 0.000 0.207 438 K C 2.069 178.641 176.600 -0.047 0.000 1.049 438 K CA 1.220 57.476 56.287 -0.051 0.000 0.933 438 K CB -0.299 32.176 32.500 -0.041 0.000 0.714 438 K HN 0.256 nan 8.250 nan 0.000 0.438 439 A N 1.238 124.029 122.820 -0.048 0.000 1.930 439 A HA -0.089 4.235 4.320 0.007 0.000 0.217 439 A C 1.689 179.249 177.584 -0.039 0.000 1.175 439 A CA 1.258 53.278 52.037 -0.028 0.000 0.627 439 A CB -0.045 18.954 19.000 -0.002 0.000 0.815 439 A HN 0.215 nan 8.150 nan 0.000 0.443 440 R N -2.791 117.672 120.500 -0.062 0.000 2.539 440 R HA 0.265 4.609 4.340 0.007 0.000 0.342 440 R C 0.737 176.996 176.300 -0.068 0.000 0.941 440 R CA 0.433 56.497 56.100 -0.060 0.000 1.146 440 R CB 0.476 30.738 30.300 -0.064 0.000 1.541 440 R HN 0.712 nan 8.270 nan 0.000 0.525 441 G N 1.143 109.897 108.800 -0.076 0.000 2.225 441 G HA2 -0.132 3.833 3.960 0.007 0.000 0.264 441 G HA3 -0.132 3.833 3.960 0.007 0.000 0.264 441 G C 0.227 175.090 174.900 -0.062 0.000 1.060 441 G CA 0.186 45.233 45.100 -0.088 0.000 0.833 441 G HN 0.749 nan 8.290 nan 0.000 0.498 442 G N -2.444 106.331 108.800 -0.042 0.000 2.368 442 G HA2 0.535 4.499 3.960 0.007 0.000 0.302 442 G HA3 0.535 4.499 3.960 0.007 0.000 0.302 442 G C -0.679 174.224 174.900 0.005 0.000 1.329 442 G CA 0.446 45.555 45.100 0.014 0.000 0.935 442 G HN 2.081 nan 8.290 nan 0.000 0.590 443 C N 1.940 121.272 119.300 0.054 0.000 2.928 443 C HA 0.683 5.148 4.460 0.007 0.000 0.396 443 C C -2.584 172.377 174.990 -0.048 0.000 1.052 443 C CA -1.054 57.949 59.018 -0.024 0.000 1.251 443 C CB 1.090 28.765 27.740 -0.109 0.000 1.684 443 C HN 0.743 nan 8.230 nan 0.000 0.501 444 P HA 0.414 nan 4.420 nan 0.000 0.267 444 P C -0.620 176.561 177.300 -0.199 0.000 1.205 444 P CA 0.618 63.313 63.100 -0.674 0.000 0.765 444 P CB 1.035 32.039 31.700 -1.160 0.000 0.828 445 A N 2.467 125.245 122.820 -0.070 0.000 2.517 445 A HA 0.384 4.709 4.320 0.007 0.000 0.297 445 A C -1.133 176.505 177.584 0.090 0.000 1.050 445 A CA -0.562 51.522 52.037 0.080 0.000 0.694 445 A CB 1.242 20.402 19.000 0.267 0.000 1.277 445 A HN 0.438 nan 8.150 nan 0.000 0.400 446 D N 2.105 122.545 120.400 0.066 0.000 2.456 446 D HA 0.135 4.779 4.640 0.007 0.000 0.219 446 D C 0.833 177.259 176.300 0.210 0.000 1.126 446 D CA -0.453 53.617 54.000 0.117 0.000 0.890 446 D CB 0.319 41.124 40.800 0.009 0.000 1.025 446 D HN 0.603 nan 8.370 nan 0.000 0.511 447 W N 4.226 125.568 121.300 0.071 0.000 2.318 447 W HA -0.291 4.373 4.660 0.008 0.000 0.313 447 W C 1.937 178.498 176.519 0.071 0.000 1.221 447 W CA 2.275 59.653 57.345 0.055 0.000 1.266 447 W CB 0.046 29.519 29.460 0.021 0.000 1.150 447 W HN 0.553 nan 8.180 nan 0.000 0.496 448 A N -1.473 121.642 122.820 0.491 0.000 2.019 448 A HA -0.182 4.142 4.320 0.007 0.000 0.219 448 A C 1.442 179.123 177.584 0.162 0.000 1.164 448 A CA 1.545 53.800 52.037 0.364 0.000 0.644 448 A CB -1.167 18.068 19.000 0.392 0.000 0.805 448 A HN 0.537 nan 8.150 nan 0.000 0.449 449 W N -1.039 120.238 121.300 -0.038 0.000 2.762 449 W HA 0.227 4.891 4.660 0.007 0.000 0.265 449 W C 1.829 178.239 176.519 -0.180 0.000 1.263 449 W CA -0.134 57.164 57.345 -0.079 0.000 1.411 449 W CB 0.058 29.497 29.460 -0.034 0.000 1.065 449 W HN 0.128 nan 8.180 nan 0.000 0.609 450 I N -0.109 120.432 120.570 -0.047 0.000 2.333 450 I HA -0.072 4.103 4.170 0.007 0.000 0.246 450 I C 0.656 176.572 176.117 -0.336 0.000 1.106 450 I CA 0.808 61.943 61.300 -0.274 0.000 1.411 450 I CB -1.421 36.350 38.000 -0.382 0.000 1.082 450 I HN -0.432 nan 8.210 nan 0.000 0.420 451 V N 4.287 123.913 119.914 -0.480 0.000 2.529 451 V HA 0.057 4.182 4.120 0.007 0.000 0.292 451 V C -1.892 174.022 176.094 -0.299 0.000 1.028 451 V CA -0.949 61.059 62.300 -0.485 0.000 1.074 451 V CB -0.036 31.251 31.823 -0.893 0.000 0.958 451 V HN 0.141 nan 8.190 nan 0.000 0.481 452 P HA 0.209 nan 4.420 nan 0.000 0.272 452 P C -1.980 175.189 177.300 -0.219 0.000 1.230 452 P CA -1.570 61.401 63.100 -0.215 0.000 0.788 452 P CB 0.042 31.616 31.700 -0.211 0.000 0.949 453 P HA 0.054 nan 4.420 nan 0.000 0.241 453 P C 0.227 177.406 177.300 -0.201 0.000 1.191 453 P CA 0.834 63.813 63.100 -0.202 0.000 0.771 453 P CB 0.092 31.666 31.700 -0.211 0.000 0.929 454 I N -6.321 114.085 120.570 -0.273 0.000 2.892 454 I HA 0.502 4.677 4.170 0.007 0.000 0.306 454 I C 0.150 176.127 176.117 -0.233 0.000 1.078 454 I CA -1.206 59.944 61.300 -0.250 0.000 1.032 454 I CB 1.841 39.671 38.000 -0.284 0.000 1.229 454 I HN -0.407 nan 8.210 nan 0.000 0.435 455 S N 2.053 117.674 115.700 -0.131 0.000 3.473 455 S HA -0.201 4.274 4.470 0.007 0.000 0.339 455 S C 1.398 175.956 174.600 -0.070 0.000 1.148 455 S CA 0.827 58.994 58.200 -0.055 0.000 0.969 455 S CB -1.733 61.500 63.200 0.056 0.000 0.936 455 S HN 1.275 nan 8.310 nan 0.000 0.530 456 G N 2.110 110.843 108.800 -0.111 0.000 2.681 456 G HA2 -0.354 3.610 3.960 0.007 0.000 0.220 456 G HA3 -0.354 3.610 3.960 0.007 0.000 0.220 456 G C 1.380 176.141 174.900 -0.231 0.000 1.210 456 G CA 1.667 46.711 45.100 -0.094 0.000 0.783 456 G HN 1.337 nan 8.290 nan 0.000 0.609 457 S N -0.356 114.946 115.700 -0.662 0.000 2.593 457 S HA 0.236 4.711 4.470 0.007 0.000 0.217 457 S C 1.783 176.288 174.600 -0.159 0.000 0.966 457 S CA 0.178 57.800 58.200 -0.963 0.000 0.914 457 S CB 0.161 62.508 63.200 -1.422 0.000 0.776 457 S HN 0.050 nan 8.310 nan 0.000 0.523 458 L N 2.732 123.924 121.223 -0.051 0.000 2.554 458 L HA 0.261 4.605 4.340 0.007 0.000 0.226 458 L C 1.322 178.312 176.870 0.200 0.000 1.137 458 L CA 0.610 55.515 54.840 0.110 0.000 0.863 458 L CB -1.145 41.004 42.059 0.149 0.000 0.985 458 L HN 0.602 nan 8.230 nan 0.000 0.451 459 T N -4.436 110.215 114.554 0.162 0.000 2.925 459 T HA 0.396 4.750 4.350 0.007 0.000 0.285 459 T C -1.703 173.141 174.700 0.241 0.000 1.021 459 T CA -1.862 60.357 62.100 0.198 0.000 1.042 459 T CB 2.040 70.981 68.868 0.122 0.000 1.037 459 T HN -0.168 nan 8.240 nan 0.000 0.481 460 P HA -0.073 nan 4.420 nan 0.000 0.218 460 P C 1.828 179.303 177.300 0.292 0.000 1.149 460 P CA 1.053 64.336 63.100 0.305 0.000 0.817 460 P CB -0.389 31.446 31.700 0.225 0.000 0.785 461 V N -3.815 116.220 119.914 0.202 0.000 2.626 461 V HA -0.186 3.938 4.120 0.007 0.000 0.252 461 V C 2.349 178.503 176.094 0.100 0.000 1.067 461 V CA 1.108 63.501 62.300 0.155 0.000 1.081 461 V CB -2.216 29.636 31.823 0.048 0.000 0.686 461 V HN -0.126 nan 8.190 nan 0.000 0.468 462 F N 2.085 121.964 119.950 -0.119 0.000 2.120 462 F HA -0.210 4.322 4.527 0.007 0.000 0.300 462 F C 2.475 178.350 175.800 0.124 0.000 1.095 462 F CA 2.387 60.317 58.000 -0.116 0.000 1.249 462 F CB -0.320 38.463 39.000 -0.361 0.000 0.995 462 F HN 0.290 nan 8.300 nan 0.000 0.480 463 H N -0.907 118.472 119.070 0.516 0.000 2.533 463 H HA 0.106 4.666 4.556 0.007 0.000 0.271 463 H C 0.252 175.826 175.328 0.410 0.000 1.000 463 H CA 0.321 56.641 56.048 0.453 0.000 1.149 463 H CB -0.334 29.679 29.762 0.418 0.000 1.375 463 H HN 0.276 nan 8.280 nan 0.000 0.582 464 Q N 1.945 122.009 119.800 0.441 0.000 2.347 464 Q HA 0.172 4.516 4.340 0.007 0.000 0.262 464 Q C -0.591 175.640 176.000 0.386 0.000 0.980 464 Q CA -0.472 55.545 55.803 0.357 0.000 0.867 464 Q CB 0.841 29.754 28.738 0.290 0.000 1.242 464 Q HN 0.232 nan 8.270 nan 0.000 0.453 465 E N 3.289 123.669 120.200 0.300 0.000 2.404 465 E HA 0.263 4.617 4.350 0.007 0.000 0.261 465 E C -0.475 176.264 176.600 0.232 0.000 1.074 465 E CA 0.285 56.822 56.400 0.230 0.000 0.917 465 E CB 0.824 30.627 29.700 0.171 0.000 0.965 465 E HN 0.595 nan 8.360 nan 0.000 0.433 466 M N 1.250 120.987 119.600 0.228 0.000 2.501 466 M HA 0.337 4.821 4.480 0.007 0.000 0.293 466 M C -1.325 175.086 176.300 0.186 0.000 1.192 466 M CA -0.951 54.490 55.300 0.235 0.000 0.886 466 M CB 2.471 35.265 32.600 0.325 0.000 1.710 466 M HN 0.168 nan 8.290 nan 0.000 0.457 467 V N 1.708 121.741 119.914 0.198 0.000 2.398 467 V HA 0.417 4.541 4.120 0.007 0.000 0.286 467 V C -0.579 175.653 176.094 0.229 0.000 1.026 467 V CA -0.703 61.746 62.300 0.248 0.000 0.868 467 V CB 1.507 33.529 31.823 0.333 0.000 0.982 467 V HN 0.872 nan 8.190 nan 0.000 0.443 468 N N 3.466 122.294 118.700 0.213 0.000 2.392 468 N HA 0.702 5.446 4.740 0.007 0.000 0.283 468 N C -1.639 173.990 175.510 0.198 0.000 1.003 468 N CA -0.442 52.650 53.050 0.069 0.000 0.892 468 N CB 1.627 40.153 38.487 0.065 0.000 1.193 468 N HN 0.732 nan 8.380 nan 0.000 0.487 469 Y N 0.844 121.160 120.300 0.027 0.000 2.677 469 Y HA 0.474 5.028 4.550 0.007 0.000 0.334 469 Y C -1.392 174.507 175.900 -0.001 0.000 1.196 469 Y CA -1.149 56.961 58.100 0.016 0.000 1.059 469 Y CB 0.685 39.160 38.460 0.024 0.000 1.315 469 Y HN 0.182 nan 8.280 nan 0.000 0.455 470 I N 3.512 124.166 120.570 0.141 0.000 2.307 470 I HA 0.369 4.543 4.170 0.007 0.000 0.289 470 I C -0.769 175.405 176.117 0.094 0.000 1.021 470 I CA -0.374 60.956 61.300 0.050 0.000 1.224 470 I CB 0.766 38.786 38.000 0.034 0.000 1.376 470 I HN 0.405 nan 8.210 nan 0.000 0.470 471 L N 5.056 126.305 121.223 0.044 0.000 2.331 471 L HA 0.511 4.856 4.340 0.007 0.000 0.275 471 L C 0.142 177.007 176.870 -0.009 0.000 1.022 471 L CA -0.461 54.409 54.840 0.049 0.000 0.812 471 L CB 1.950 44.038 42.059 0.049 0.000 1.257 471 L HN 0.488 nan 8.230 nan 0.000 0.435 472 S N 2.168 117.874 115.700 0.009 0.000 2.472 472 S HA 0.586 5.061 4.470 0.007 0.000 0.303 472 S C -2.497 172.113 174.600 0.016 0.000 1.099 472 S CA -1.453 56.739 58.200 -0.013 0.000 1.077 472 S CB 1.656 64.863 63.200 0.012 0.000 1.031 472 S HN 0.245 nan 8.310 nan 0.000 0.487 473 P HA 0.356 nan 4.420 nan 0.000 0.267 473 P C -1.448 175.716 177.300 -0.225 0.000 1.200 473 P CA -0.052 62.946 63.100 -0.170 0.000 0.772 473 P CB 0.566 32.114 31.700 -0.254 0.000 0.855 474 A N 2.049 124.704 122.820 -0.275 0.000 2.549 474 A HA 0.654 4.979 4.320 0.007 0.000 0.297 474 A C -1.428 175.946 177.584 -0.349 0.000 1.061 474 A CA -0.474 51.407 52.037 -0.260 0.000 0.690 474 A CB 0.753 19.670 19.000 -0.138 0.000 1.287 474 A HN 0.291 nan 8.150 nan 0.000 0.402 475 F N 1.507 121.354 119.950 -0.172 0.000 2.411 475 F HA 0.565 5.096 4.527 0.006 0.000 0.355 475 F C 1.051 176.725 175.800 -0.210 0.000 1.117 475 F CA 0.372 58.264 58.000 -0.180 0.000 1.139 475 F CB 1.233 40.072 39.000 -0.269 0.000 1.120 475 F HN 0.510 nan 8.300 nan 0.000 0.493 476 R N 2.215 122.722 120.500 0.012 0.000 2.803 476 R HA 0.473 4.818 4.340 0.007 0.000 0.276 476 R C -1.331 174.937 176.300 -0.054 0.000 0.978 476 R CA -1.162 54.883 56.100 -0.091 0.000 0.939 476 R CB 1.613 31.894 30.300 -0.031 0.000 1.179 476 R HN 0.367 nan 8.270 nan 0.000 0.472 477 Y N 1.386 121.706 120.300 0.034 0.000 2.314 477 Y HA 0.124 4.679 4.550 0.008 0.000 0.334 477 Y C 0.660 176.560 175.900 0.001 0.000 1.266 477 Y CA -0.127 57.985 58.100 0.020 0.000 1.391 477 Y CB 0.750 39.211 38.460 0.001 0.000 1.306 477 Y HN 0.464 nan 8.280 nan 0.000 0.558 478 Q N 1.172 121.062 119.800 0.151 0.000 2.462 478 Q HA 0.629 4.973 4.340 0.007 0.000 0.285 478 Q C -3.135 172.837 176.000 -0.047 0.000 1.035 478 Q CA -2.516 53.309 55.803 0.037 0.000 0.799 478 Q CB 2.174 30.925 28.738 0.022 0.000 1.452 478 Q HN 0.226 nan 8.270 nan 0.000 0.404 479 P HA 0.091 nan 4.420 nan 0.000 0.272 479 P C -0.785 176.307 177.300 -0.347 0.000 1.230 479 P CA -0.142 62.838 63.100 -0.200 0.000 0.788 479 P CB 0.387 31.978 31.700 -0.183 0.000 0.949 480 D N 2.061 122.129 120.400 -0.553 0.000 2.423 480 D HA 0.014 4.659 4.640 0.007 0.000 0.238 480 D C -1.153 174.533 176.300 -1.023 0.000 1.142 480 D CA -0.878 52.493 54.000 -1.049 0.000 0.884 480 D CB 0.213 39.980 40.800 -1.721 0.000 1.199 480 D HN 0.263 nan 8.370 nan 0.000 0.438 481 P HA 0.001 nan 4.420 nan 0.000 0.227 481 P C 0.288 177.213 177.300 -0.624 0.000 1.161 481 P CA 0.539 63.200 63.100 -0.732 0.000 0.788 481 P CB 0.093 31.312 31.700 -0.803 0.000 0.822 482 W N 0.000 120.886 121.300 -0.690 0.000 2.388 482 W HA 0.000 4.664 4.660 0.007 0.000 0.303 482 W CA 0.000 57.118 57.345 -0.379 0.000 1.226 482 W CB 0.000 29.261 29.460 -0.332 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535