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 1foi_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 3.966 3.960 0.010 0.000 0.244 67 G C 0.000 174.834 174.900 -0.109 0.000 0.946 67 G CA 0.000 45.065 45.100 -0.058 0.000 0.502 68 P HA 0.252 nan 4.420 nan 0.000 0.264 68 P C -0.290 177.007 177.300 -0.004 0.000 1.183 68 P CA 0.206 63.193 63.100 -0.188 0.000 0.763 68 P CB 0.458 31.830 31.700 -0.548 0.000 0.807 69 K N 2.940 123.308 120.400 -0.053 0.000 3.216 69 K HA 0.226 4.551 4.320 0.010 0.000 0.277 69 K C -0.525 175.782 176.600 -0.489 0.000 1.246 69 K CA 0.086 56.231 56.287 -0.237 0.000 1.227 69 K CB -0.449 31.852 32.500 -0.331 0.000 1.487 69 K HN 0.379 nan 8.250 nan 0.000 0.341 70 F N -0.207 119.789 119.950 0.076 0.000 2.629 70 F HA 0.328 4.862 4.527 0.010 0.000 0.316 70 F C -2.253 173.655 175.800 0.180 0.000 1.081 70 F CA -3.051 55.011 58.000 0.104 0.000 0.954 70 F CB 0.837 39.900 39.000 0.104 0.000 1.337 70 F HN -0.078 nan 8.300 nan 0.000 0.474 71 P HA 0.046 nan 4.420 nan 0.000 0.262 71 P C -0.791 176.567 177.300 0.096 0.000 1.182 71 P CA -0.002 63.197 63.100 0.165 0.000 0.761 71 P CB 0.444 32.217 31.700 0.121 0.000 0.795 72 R N 3.329 123.811 120.500 -0.030 0.000 2.202 72 R HA 0.345 4.691 4.340 0.010 0.000 0.334 72 R C -1.128 175.039 176.300 -0.222 0.000 1.036 72 R CA -0.507 55.380 56.100 -0.355 0.000 0.878 72 R CB 0.393 30.526 30.300 -0.280 0.000 1.067 72 R HN 0.237 nan 8.270 nan 0.000 0.457 73 V N 5.280 125.039 119.914 -0.258 0.000 2.398 73 V HA 0.336 4.462 4.120 0.010 0.000 0.286 73 V C -0.061 175.947 176.094 -0.144 0.000 1.026 73 V CA -0.656 61.576 62.300 -0.112 0.000 0.868 73 V CB 1.408 33.208 31.823 -0.039 0.000 0.982 73 V HN 0.681 nan 8.190 nan 0.000 0.443 74 K N 3.898 124.237 120.400 -0.101 0.000 2.259 74 K HA 0.430 4.756 4.320 0.010 0.000 0.249 74 K C -0.657 175.880 176.600 -0.104 0.000 0.942 74 K CA -0.728 55.434 56.287 -0.208 0.000 0.816 74 K CB 1.549 33.772 32.500 -0.462 0.000 1.155 74 K HN 0.704 nan 8.250 nan 0.000 0.428 75 N N 4.089 122.716 118.700 -0.122 0.000 2.476 75 N HA 0.107 4.852 4.740 0.010 0.000 0.257 75 N C -0.354 175.157 175.510 0.001 0.000 0.970 75 N CA -0.389 52.696 53.050 0.058 0.000 0.938 75 N CB 0.482 39.015 38.487 0.078 0.000 1.144 75 N HN 0.672 nan 8.380 nan 0.000 0.500 76 W N 2.034 123.411 121.300 0.127 0.000 2.825 76 W HA 0.097 4.763 4.660 0.010 0.000 0.243 76 W C 2.019 178.581 176.519 0.072 0.000 1.293 76 W CA -0.045 57.365 57.345 0.108 0.000 1.403 76 W CB 0.269 29.817 29.460 0.146 0.000 1.134 76 W HN 0.646 nan 8.180 nan 0.000 0.666 77 E N 0.233 120.572 120.200 0.232 0.000 2.140 77 E HA -0.061 4.295 4.350 0.010 0.000 0.191 77 E C 1.682 178.311 176.600 0.049 0.000 0.973 77 E CA 0.819 57.261 56.400 0.070 0.000 0.829 77 E CB -0.106 29.608 29.700 0.023 0.000 0.781 77 E HN 0.265 nan 8.360 nan 0.000 0.466 78 L N -0.853 120.401 121.223 0.051 0.000 2.590 78 L HA 0.326 4.672 4.340 0.010 0.000 0.227 78 L C 1.467 178.326 176.870 -0.017 0.000 1.099 78 L CA 0.395 55.245 54.840 0.018 0.000 0.872 78 L CB 0.598 42.672 42.059 0.024 0.000 1.088 78 L HN 0.343 nan 8.230 nan 0.000 0.479 79 G N 0.775 109.545 108.800 -0.050 0.000 2.168 79 G HA2 -0.326 3.640 3.960 0.010 0.000 0.263 79 G HA3 -0.326 3.640 3.960 0.010 0.000 0.263 79 G C 0.404 175.226 174.900 -0.131 0.000 0.977 79 G CA 0.543 45.572 45.100 -0.119 0.000 0.659 79 G HN 0.484 nan 8.290 nan 0.000 0.533 80 S N -0.109 115.534 115.700 -0.095 0.000 2.601 80 S HA 0.801 5.277 4.470 0.010 0.000 0.271 80 S C 0.111 174.638 174.600 -0.121 0.000 1.305 80 S CA -0.742 57.408 58.200 -0.082 0.000 1.022 80 S CB 2.125 65.301 63.200 -0.041 0.000 0.940 80 S HN 0.450 nan 8.310 nan 0.000 0.525 81 I N 1.936 122.441 120.570 -0.109 0.000 2.689 81 I HA 0.573 4.749 4.170 0.010 0.000 0.299 81 I C 0.191 176.235 176.117 -0.123 0.000 1.059 81 I CA -0.307 60.899 61.300 -0.157 0.000 1.055 81 I CB 1.878 39.770 38.000 -0.179 0.000 1.243 81 I HN 1.051 nan 8.210 nan 0.000 0.425 82 T N 1.408 115.847 114.554 -0.192 0.000 2.864 82 T HA 0.690 5.046 4.350 0.010 0.000 0.299 82 T C -1.397 173.140 174.700 -0.272 0.000 1.166 82 T CA -0.692 61.344 62.100 -0.107 0.000 1.007 82 T CB 1.992 70.832 68.868 -0.048 0.000 1.219 82 T HN 0.274 nan 8.240 nan 0.000 0.506 83 Y N 0.288 120.573 120.300 -0.025 0.000 2.376 83 Y HA 0.470 5.026 4.550 0.010 0.000 0.340 83 Y C -0.042 175.823 175.900 -0.059 0.000 0.965 83 Y CA -0.920 57.172 58.100 -0.013 0.000 1.078 83 Y CB 1.781 40.234 38.460 -0.012 0.000 1.193 83 Y HN 0.724 nan 8.280 nan 0.000 0.452 84 D N 2.128 122.590 120.400 0.105 0.000 2.347 84 D HA 0.080 4.726 4.640 0.010 0.000 0.235 84 D C 0.685 176.964 176.300 -0.036 0.000 1.149 84 D CA 0.150 54.175 54.000 0.041 0.000 0.850 84 D CB 1.246 42.105 40.800 0.098 0.000 1.061 84 D HN 0.802 nan 8.370 nan 0.000 0.487 85 T N 1.082 115.491 114.554 -0.241 0.000 3.022 85 T HA -0.049 4.307 4.350 0.010 0.000 0.250 85 T C 1.823 176.419 174.700 -0.173 0.000 1.060 85 T CA -0.236 61.573 62.100 -0.485 0.000 1.013 85 T CB 0.136 68.519 68.868 -0.809 0.000 0.982 85 T HN 0.260 nan 8.240 nan 0.000 0.508 86 L N 2.478 123.630 121.223 -0.119 0.000 2.141 86 L HA 0.064 4.410 4.340 0.010 0.000 0.209 86 L C 2.623 179.363 176.870 -0.218 0.000 1.094 86 L CA 1.210 56.006 54.840 -0.074 0.000 0.763 86 L CB -0.978 41.111 42.059 0.050 0.000 0.908 86 L HN 0.640 nan 8.230 nan 0.000 0.437 87 C N -1.264 117.716 119.300 -0.534 0.000 2.409 87 C HA -0.026 4.440 4.460 0.010 0.000 0.284 87 C C 2.784 177.557 174.990 -0.363 0.000 1.354 87 C CA 0.228 58.639 59.018 -1.011 0.000 1.787 87 C CB -2.331 24.853 27.740 -0.927 0.000 1.900 87 C HN 0.593 nan 8.230 nan 0.000 0.520 88 A N -0.021 122.729 122.820 -0.116 0.000 2.125 88 A HA -0.093 4.232 4.320 0.010 0.000 0.219 88 A C 2.240 179.818 177.584 -0.010 0.000 1.156 88 A CA 1.466 53.506 52.037 0.006 0.000 0.671 88 A CB -0.402 18.698 19.000 0.167 0.000 0.794 88 A HN 0.688 nan 8.150 nan 0.000 0.459 89 Q N -0.115 119.667 119.800 -0.030 0.000 2.425 89 Q HA 0.096 4.442 4.340 0.010 0.000 0.204 89 Q C 0.814 176.831 176.000 0.028 0.000 0.933 89 Q CA 0.303 56.113 55.803 0.011 0.000 0.939 89 Q CB -0.325 28.429 28.738 0.027 0.000 1.044 89 Q HN 0.509 nan 8.270 nan 0.000 0.513 90 S N 0.887 116.592 115.700 0.009 0.000 2.537 90 S HA 0.019 4.495 4.470 0.010 0.000 0.286 90 S C 0.720 175.347 174.600 0.045 0.000 1.299 90 S CA 0.179 58.416 58.200 0.060 0.000 1.067 90 S CB 0.452 63.699 63.200 0.077 0.000 0.864 90 S HN 0.222 nan 8.310 nan 0.000 0.494 91 Q N 2.493 122.326 119.800 0.055 0.000 2.171 91 Q HA 0.210 4.556 4.340 0.010 0.000 0.218 91 Q C -0.617 175.408 176.000 0.041 0.000 0.822 91 Q CA 0.034 55.863 55.803 0.043 0.000 0.987 91 Q CB 0.792 29.558 28.738 0.046 0.000 1.144 91 Q HN 0.689 nan 8.270 nan 0.000 0.494 92 Q N 0.822 120.651 119.800 0.048 0.000 2.321 92 Q HA 0.246 4.592 4.340 0.010 0.000 0.270 92 Q C -1.300 174.728 176.000 0.048 0.000 1.032 92 Q CA -0.602 55.226 55.803 0.041 0.000 0.784 92 Q CB 1.977 30.736 28.738 0.036 0.000 1.264 92 Q HN 0.018 nan 8.270 nan 0.000 0.448 93 D N 1.414 121.837 120.400 0.038 0.000 2.372 93 D HA 0.251 4.897 4.640 0.010 0.000 0.243 93 D C 0.264 176.590 176.300 0.043 0.000 1.121 93 D CA 0.221 54.245 54.000 0.041 0.000 0.898 93 D CB 1.291 42.109 40.800 0.031 0.000 1.202 93 D HN 0.639 nan 8.370 nan 0.000 0.428 94 G N 0.490 109.320 108.800 0.051 0.000 2.583 94 G HA2 0.338 4.304 3.960 0.010 0.000 0.280 94 G HA3 0.338 4.304 3.960 0.010 0.000 0.280 94 G C -1.767 173.158 174.900 0.043 0.000 1.376 94 G CA -0.704 44.426 45.100 0.050 0.000 1.043 94 G HN 0.291 nan 8.290 nan 0.000 0.538 95 P HA 0.163 nan 4.420 nan 0.000 0.251 95 P C 0.216 177.538 177.300 0.037 0.000 1.223 95 P CA -0.036 63.087 63.100 0.039 0.000 0.796 95 P CB 0.161 31.887 31.700 0.044 0.000 1.068 96 C N 0.666 119.990 119.300 0.040 0.000 2.443 96 C HA 0.663 5.129 4.460 0.010 0.000 0.369 96 C C 0.973 175.981 174.990 0.030 0.000 1.241 96 C CA 0.156 59.196 59.018 0.036 0.000 2.413 96 C CB 1.050 28.815 27.740 0.042 0.000 2.451 96 C HN 0.343 nan 8.230 nan 0.000 0.595 97 T N -1.634 112.934 114.554 0.024 0.000 2.843 97 T HA 0.400 4.756 4.350 0.010 0.000 0.302 97 T C -2.521 172.188 174.700 0.016 0.000 1.232 97 T CA -1.074 61.037 62.100 0.019 0.000 1.009 97 T CB 1.314 70.192 68.868 0.015 0.000 1.254 97 T HN 0.253 nan 8.240 nan 0.000 0.504 98 P HA -0.042 nan 4.420 nan 0.000 0.218 98 P C 1.589 178.894 177.300 0.008 0.000 1.146 98 P CA 0.754 63.859 63.100 0.009 0.000 0.813 98 P CB 0.147 31.851 31.700 0.006 0.000 0.778 99 R N -0.549 119.956 120.500 0.009 0.000 2.073 99 R HA 0.029 4.375 4.340 0.010 0.000 0.229 99 R C 1.091 177.396 176.300 0.008 0.000 1.120 99 R CA 1.058 57.162 56.100 0.007 0.000 0.967 99 R CB -0.185 30.119 30.300 0.007 0.000 0.862 99 R HN 0.297 nan 8.270 nan 0.000 0.436 100 R N -0.460 120.046 120.500 0.011 0.000 2.629 100 R HA 0.165 4.511 4.340 0.010 0.000 0.266 100 R C -1.439 174.871 176.300 0.016 0.000 1.051 100 R CA -0.682 55.425 56.100 0.011 0.000 0.895 100 R CB 0.367 30.674 30.300 0.012 0.000 1.246 100 R HN 0.016 nan 8.270 nan 0.000 0.459 101 C N 3.835 123.144 119.300 0.015 0.000 2.285 101 C HA 0.556 5.022 4.460 0.010 0.000 0.335 101 C C 0.759 175.766 174.990 0.028 0.000 1.267 101 C CA -0.668 58.363 59.018 0.022 0.000 1.762 101 C CB -0.930 26.819 27.740 0.015 0.000 2.365 101 C HN 0.755 nan 8.230 nan 0.000 0.527 102 L N 5.738 126.984 121.223 0.038 0.000 3.017 102 L HA 0.283 4.629 4.340 0.010 0.000 0.255 102 L C 2.047 178.954 176.870 0.063 0.000 1.247 102 L CA 0.203 55.071 54.840 0.046 0.000 1.038 102 L CB -0.061 42.023 42.059 0.042 0.000 1.380 102 L HN 1.014 nan 8.230 nan 0.000 0.548 103 G N 0.156 108.996 108.800 0.066 0.000 2.498 103 G HA2 -0.237 3.729 3.960 0.010 0.000 0.219 103 G HA3 -0.237 3.729 3.960 0.010 0.000 0.219 103 G C 1.580 176.558 174.900 0.130 0.000 1.119 103 G CA 1.106 46.260 45.100 0.090 0.000 0.766 103 G HN 0.514 nan 8.290 nan 0.000 0.552 104 S N -0.561 115.212 115.700 0.121 0.000 2.528 104 S HA 0.283 4.759 4.470 0.010 0.000 0.219 104 S C 0.722 175.423 174.600 0.168 0.000 0.985 104 S CA -0.464 57.829 58.200 0.155 0.000 0.914 104 S CB -0.009 63.256 63.200 0.109 0.000 0.776 104 S HN -0.019 nan 8.310 nan 0.000 0.526 105 L N 2.672 123.974 121.223 0.132 0.000 2.462 105 L HA 0.180 4.526 4.340 0.010 0.000 0.272 105 L C 1.408 178.383 176.870 0.175 0.000 1.166 105 L CA 0.237 55.150 54.840 0.122 0.000 0.880 105 L CB 0.507 42.615 42.059 0.082 0.000 1.142 105 L HN 0.004 nan 8.230 nan 0.000 0.473 106 V N 4.312 124.343 119.914 0.195 0.000 2.307 106 V HA -0.151 3.975 4.120 0.010 0.000 0.245 106 V C 1.011 177.191 176.094 0.144 0.000 1.045 106 V CA 1.360 63.823 62.300 0.272 0.000 1.024 106 V CB -0.309 31.667 31.823 0.254 0.000 0.651 106 V HN 0.532 nan 8.190 nan 0.000 0.449 107 L N 2.816 124.066 121.223 0.044 0.000 2.502 107 L HA 0.382 4.727 4.340 0.010 0.000 0.247 107 L C -2.422 174.468 176.870 0.034 0.000 1.180 107 L CA -1.181 53.649 54.840 -0.016 0.000 0.956 107 L CB 1.010 42.977 42.059 -0.153 0.000 1.282 107 L HN 0.228 nan 8.230 nan 0.000 0.470 108 P HA 0.211 nan 4.420 nan 0.000 0.285 108 P C -0.266 177.067 177.300 0.055 0.000 1.259 108 P CA -0.676 62.458 63.100 0.057 0.000 0.794 108 P CB 1.203 32.941 31.700 0.063 0.000 0.940 109 R N 3.169 123.690 120.500 0.036 0.000 4.510 109 R HA 0.044 4.390 4.340 0.010 0.000 0.170 109 R C 0.828 177.148 176.300 0.033 0.000 1.906 109 R CA 0.267 56.385 56.100 0.030 0.000 1.492 109 R CB -0.417 29.892 30.300 0.016 0.000 1.383 109 R HN 0.446 nan 8.270 nan 0.000 0.823 110 K N -0.144 120.282 120.400 0.044 0.000 2.386 110 K HA 0.142 4.468 4.320 0.010 0.000 0.237 110 K C 1.750 178.370 176.600 0.034 0.000 1.122 110 K CA 0.203 56.512 56.287 0.037 0.000 0.838 110 K CB -0.441 32.083 32.500 0.038 0.000 1.364 110 K HN 0.040 nan 8.250 nan 0.000 0.440 111 L N 2.198 123.444 121.223 0.039 0.000 2.362 111 L HA 0.013 4.359 4.340 0.010 0.000 0.219 111 L C 0.900 177.794 176.870 0.039 0.000 1.134 111 L CA 0.604 55.459 54.840 0.024 0.000 0.807 111 L CB -1.051 41.007 42.059 -0.003 0.000 0.927 111 L HN 0.223 nan 8.230 nan 0.000 0.447 112 Q N 1.707 121.547 119.800 0.067 0.000 3.163 112 Q HA -0.137 4.209 4.340 0.010 0.000 0.351 112 Q C 0.267 176.285 176.000 0.030 0.000 1.102 112 Q CA 0.492 56.334 55.803 0.065 0.000 1.201 112 Q CB -0.251 28.514 28.738 0.045 0.000 0.958 112 Q HN 0.435 nan 8.270 nan 0.000 0.419 113 T N 2.342 116.914 114.554 0.029 0.000 4.104 113 T HA 0.323 4.679 4.350 0.010 0.000 0.285 113 T C 0.168 174.862 174.700 -0.009 0.000 1.346 113 T CA -0.849 61.255 62.100 0.006 0.000 1.158 113 T CB 0.029 68.900 68.868 0.005 0.000 1.290 113 T HN 0.400 nan 8.240 nan 0.000 0.975 114 R N 2.948 123.439 120.500 -0.015 0.000 2.640 114 R HA 0.227 4.573 4.340 0.010 0.000 0.270 114 R C -2.453 173.828 176.300 -0.033 0.000 1.024 114 R CA -1.733 54.349 56.100 -0.030 0.000 1.085 114 R CB -0.402 29.883 30.300 -0.026 0.000 0.963 114 R HN 0.304 nan 8.270 nan 0.000 0.426 115 P HA -0.010 nan 4.420 nan 0.000 0.254 115 P C -1.042 176.240 177.300 -0.029 0.000 1.186 115 P CA 0.417 63.494 63.100 -0.039 0.000 0.868 115 P CB 0.312 31.983 31.700 -0.049 0.000 0.856 116 S N 3.939 119.623 115.700 -0.026 0.000 2.642 116 S HA 0.305 4.781 4.470 0.010 0.000 0.309 116 S C -1.550 173.038 174.600 -0.019 0.000 1.125 116 S CA -1.040 57.147 58.200 -0.021 0.000 1.055 116 S CB 0.381 63.568 63.200 -0.021 0.000 1.157 116 S HN 0.202 nan 8.310 nan 0.000 0.513 117 P HA 0.025 nan 4.420 nan 0.000 0.208 117 P C 0.997 178.291 177.300 -0.009 0.000 1.189 117 P CA 0.970 64.063 63.100 -0.011 0.000 0.931 117 P CB -0.577 31.118 31.700 -0.008 0.000 0.783 118 G N 1.276 110.072 108.800 -0.007 0.000 2.265 118 G HA2 0.170 4.136 3.960 0.010 0.000 0.240 118 G HA3 0.170 4.136 3.960 0.010 0.000 0.240 118 G C -2.273 172.623 174.900 -0.006 0.000 1.270 118 G CA -0.491 44.606 45.100 -0.004 0.000 0.901 118 G HN 0.134 nan 8.290 nan 0.000 0.507 119 P HA 0.050 nan 4.420 nan 0.000 0.266 119 P C -1.857 175.440 177.300 -0.005 0.000 1.180 119 P CA -0.439 62.657 63.100 -0.006 0.000 0.765 119 P CB 0.110 31.811 31.700 0.001 0.000 0.806 120 P HA 0.174 nan 4.420 nan 0.000 0.271 120 P C -2.493 174.811 177.300 0.006 0.000 1.216 120 P CA -1.507 61.590 63.100 -0.004 0.000 0.776 120 P CB -0.496 31.198 31.700 -0.010 0.000 0.881 121 P HA -0.048 nan 4.420 nan 0.000 0.253 121 P C 1.050 178.360 177.300 0.017 0.000 1.170 121 P CA 0.444 63.551 63.100 0.011 0.000 0.806 121 P CB -0.227 31.479 31.700 0.010 0.000 0.775 122 A N 3.974 126.805 122.820 0.019 0.000 2.054 122 A HA -0.284 4.042 4.320 0.010 0.000 0.223 122 A C 2.122 179.719 177.584 0.022 0.000 1.169 122 A CA 1.898 53.950 52.037 0.025 0.000 0.655 122 A CB -0.744 18.269 19.000 0.022 0.000 0.812 122 A HN 0.557 nan 8.150 nan 0.000 0.462 123 E N -1.053 119.157 120.200 0.016 0.000 2.076 123 E HA -0.198 4.158 4.350 0.010 0.000 0.190 123 E C 2.233 178.844 176.600 0.017 0.000 0.979 123 E CA 1.037 57.445 56.400 0.013 0.000 0.807 123 E CB -0.125 29.581 29.700 0.010 0.000 0.761 123 E HN 0.824 nan 8.360 nan 0.000 0.454 124 Q N 0.298 120.110 119.800 0.020 0.000 2.123 124 Q HA -0.154 4.192 4.340 0.010 0.000 0.199 124 Q C 2.233 178.254 176.000 0.035 0.000 0.966 124 Q CA 0.860 56.677 55.803 0.023 0.000 0.845 124 Q CB -0.011 28.738 28.738 0.019 0.000 0.907 124 Q HN 0.284 nan 8.270 nan 0.000 0.439 125 L N 0.630 121.877 121.223 0.040 0.000 2.056 125 L HA -0.120 4.226 4.340 0.010 0.000 0.207 125 L C 1.985 178.900 176.870 0.075 0.000 1.078 125 L CA 1.576 56.456 54.840 0.068 0.000 0.749 125 L CB -0.496 41.610 42.059 0.078 0.000 0.901 125 L HN 0.321 nan 8.230 nan 0.000 0.433 126 L N -0.655 120.591 121.223 0.039 0.000 2.046 126 L HA -0.198 4.148 4.340 0.010 0.000 0.208 126 L C 2.732 179.609 176.870 0.011 0.000 1.077 126 L CA 1.551 56.392 54.840 0.002 0.000 0.747 126 L CB -0.900 41.153 42.059 -0.010 0.000 0.896 126 L HN 0.538 nan 8.230 nan 0.000 0.432 127 S N -0.699 115.016 115.700 0.026 0.000 2.382 127 S HA -0.266 4.210 4.470 0.010 0.000 0.228 127 S C 1.866 176.503 174.600 0.062 0.000 1.027 127 S CA 1.158 59.379 58.200 0.035 0.000 0.991 127 S CB -0.383 62.835 63.200 0.031 0.000 0.823 127 S HN 0.469 nan 8.310 nan 0.000 0.469 128 Q N 0.939 120.784 119.800 0.075 0.000 2.119 128 Q HA 0.089 4.435 4.340 0.010 0.000 0.201 128 Q C 2.640 178.740 176.000 0.167 0.000 0.972 128 Q CA 1.324 57.192 55.803 0.109 0.000 0.847 128 Q CB -0.486 28.308 28.738 0.093 0.000 0.903 128 Q HN 0.786 nan 8.270 nan 0.000 0.433 129 A N 1.233 124.137 122.820 0.139 0.000 1.898 129 A HA -0.176 4.150 4.320 0.010 0.000 0.216 129 A C 1.983 179.639 177.584 0.119 0.000 1.181 129 A CA 1.135 53.248 52.037 0.128 0.000 0.620 129 A CB -0.335 18.534 19.000 -0.217 0.000 0.819 129 A HN 0.202 nan 8.150 nan 0.000 0.442 130 R N -0.494 120.040 120.500 0.057 0.000 2.081 130 R HA -0.165 4.180 4.340 0.010 0.000 0.235 130 R C 2.018 178.394 176.300 0.127 0.000 1.131 130 R CA 1.631 57.770 56.100 0.065 0.000 0.960 130 R CB -0.531 29.784 30.300 0.026 0.000 0.856 130 R HN 0.701 nan 8.270 nan 0.000 0.436 131 D N 0.245 120.728 120.400 0.139 0.000 2.104 131 D HA -0.221 4.424 4.640 0.010 0.000 0.194 131 D C 1.651 178.076 176.300 0.209 0.000 0.994 131 D CA 1.108 55.200 54.000 0.154 0.000 0.830 131 D CB -0.088 40.799 40.800 0.146 0.000 0.959 131 D HN 0.134 nan 8.370 nan 0.000 0.452 132 F N 0.708 120.747 119.950 0.149 0.000 2.134 132 F HA -0.091 4.442 4.527 0.009 0.000 0.299 132 F C 1.929 177.877 175.800 0.246 0.000 1.097 132 F CA 1.010 59.136 58.000 0.210 0.000 1.264 132 F CB -0.190 38.941 39.000 0.218 0.000 1.001 132 F HN 0.019 nan 8.300 nan 0.000 0.479 133 I N 0.732 121.344 120.570 0.071 0.000 2.286 133 I HA -0.280 3.896 4.170 0.010 0.000 0.248 133 I C 1.945 178.103 176.117 0.069 0.000 1.115 133 I CA 1.101 62.444 61.300 0.071 0.000 1.392 133 I CB -1.611 36.513 38.000 0.206 0.000 1.065 133 I HN 0.213 nan 8.210 nan 0.000 0.418 134 N N 0.937 119.694 118.700 0.095 0.000 2.120 134 N HA -0.180 4.566 4.740 0.010 0.000 0.188 134 N C 1.841 177.300 175.510 -0.086 0.000 1.024 134 N CA 1.074 54.151 53.050 0.046 0.000 0.852 134 N CB -0.337 38.232 38.487 0.137 0.000 1.003 134 N HN 0.486 nan 8.380 nan 0.000 0.424 135 Q N -0.537 119.227 119.800 -0.061 0.000 2.050 135 Q HA -0.182 4.164 4.340 0.010 0.000 0.202 135 Q C 1.807 177.590 176.000 -0.363 0.000 0.980 135 Q CA 1.329 57.097 55.803 -0.057 0.000 0.840 135 Q CB -0.277 28.556 28.738 0.159 0.000 0.898 135 Q HN 0.450 nan 8.270 nan 0.000 0.424 136 Y N -0.012 119.848 120.300 -0.734 0.000 2.145 136 Y HA -0.292 4.263 4.550 0.008 0.000 0.286 136 Y C 1.742 177.114 175.900 -0.881 0.000 1.145 136 Y CA 1.616 59.009 58.100 -1.177 0.000 1.148 136 Y CB -0.428 37.435 38.460 -0.995 0.000 0.981 136 Y HN 0.094 nan 8.280 nan 0.000 0.507 137 Y N -0.789 119.106 120.300 -0.674 0.000 2.352 137 Y HA -0.184 4.372 4.550 0.011 0.000 0.292 137 Y C 3.033 178.602 175.900 -0.551 0.000 1.136 137 Y CA 1.629 59.324 58.100 -0.676 0.000 1.227 137 Y CB -0.710 37.245 38.460 -0.842 0.000 0.991 137 Y HN 0.239 nan 8.280 nan 0.000 0.545 138 S N -0.524 114.961 115.700 -0.358 0.000 2.368 138 S HA -0.198 4.278 4.470 0.010 0.000 0.224 138 S C 2.369 176.797 174.600 -0.287 0.000 1.029 138 S CA 1.515 59.573 58.200 -0.237 0.000 0.988 138 S CB -0.684 62.429 63.200 -0.144 0.000 0.838 138 S HN 0.566 nan 8.310 nan 0.000 0.462 139 S N 2.078 117.509 115.700 -0.448 0.000 2.399 139 S HA -0.052 4.424 4.470 0.010 0.000 0.231 139 S C 1.745 176.097 174.600 -0.413 0.000 1.022 139 S CA 1.100 59.058 58.200 -0.404 0.000 0.983 139 S CB -1.002 61.835 63.200 -0.605 0.000 0.803 139 S HN 0.835 nan 8.310 nan 0.000 0.480 140 I N -3.141 117.082 120.570 -0.579 0.000 3.875 140 I HA 0.384 4.560 4.170 0.010 0.000 0.329 140 I C -0.267 175.684 176.117 -0.277 0.000 1.295 140 I CA -0.452 60.578 61.300 -0.450 0.000 1.129 140 I CB -0.142 37.489 38.000 -0.615 0.000 1.008 140 I HN -0.108 nan 8.210 nan 0.000 0.413 141 K N 2.261 122.523 120.400 -0.230 0.000 3.125 141 K HA -0.134 4.191 4.320 0.010 0.000 0.268 141 K C -0.140 176.406 176.600 -0.089 0.000 1.078 141 K CA 0.448 56.656 56.287 -0.132 0.000 0.775 141 K CB -1.598 30.843 32.500 -0.099 0.000 1.253 141 K HN 0.573 nan 8.250 nan 0.000 0.486 142 R N -0.577 119.876 120.500 -0.079 0.000 2.668 142 R HA 0.085 4.431 4.340 0.010 0.000 0.435 142 R C 0.078 176.429 176.300 0.085 0.000 1.059 142 R CA -0.283 55.832 56.100 0.025 0.000 1.073 142 R CB 0.979 31.327 30.300 0.080 0.000 1.401 142 R HN 0.171 nan 8.270 nan 0.000 0.590 143 S N -0.204 115.512 115.700 0.027 0.000 2.516 143 S HA 0.324 4.800 4.470 0.010 0.000 0.282 143 S C 1.343 176.046 174.600 0.170 0.000 1.286 143 S CA 1.413 59.668 58.200 0.092 0.000 1.066 143 S CB 0.474 63.692 63.200 0.030 0.000 0.884 143 S HN 0.732 nan 8.310 nan 0.000 0.491 144 G N 3.249 112.246 108.800 0.328 0.000 2.199 144 G HA2 -0.290 3.675 3.960 0.010 0.000 0.254 144 G HA3 -0.290 3.675 3.960 0.010 0.000 0.254 144 G C 0.341 175.256 174.900 0.025 0.000 0.982 144 G CA 0.448 45.596 45.100 0.081 0.000 0.632 144 G HN 1.586 nan 8.290 nan 0.000 0.529 145 S N -0.665 115.076 115.700 0.068 0.000 2.626 145 S HA 0.425 4.901 4.470 0.010 0.000 0.257 145 S C 1.295 175.887 174.600 -0.013 0.000 1.288 145 S CA 0.783 59.002 58.200 0.032 0.000 0.980 145 S CB 1.225 64.466 63.200 0.067 0.000 0.975 145 S HN 0.529 nan 8.310 nan 0.000 0.577 146 Q N 0.023 119.817 119.800 -0.010 0.000 2.172 146 Q HA 0.002 4.348 4.340 0.010 0.000 0.200 146 Q C 2.176 178.156 176.000 -0.033 0.000 0.964 146 Q CA 1.097 56.882 55.803 -0.029 0.000 0.855 146 Q CB -0.652 28.079 28.738 -0.012 0.000 0.918 146 Q HN 0.906 nan 8.270 nan 0.000 0.444 147 A N -0.162 122.663 122.820 0.008 0.000 1.969 147 A HA -0.217 4.109 4.320 0.010 0.000 0.218 147 A C 1.806 179.296 177.584 -0.156 0.000 1.169 147 A CA 1.544 53.604 52.037 0.038 0.000 0.635 147 A CB -0.855 18.257 19.000 0.188 0.000 0.810 147 A HN 0.671 nan 8.150 nan 0.000 0.445 148 H N -0.675 118.086 119.070 -0.515 0.000 2.299 148 H HA -0.091 4.471 4.556 0.010 0.000 0.302 148 H C 1.851 176.845 175.328 -0.558 0.000 1.078 148 H CA 1.175 56.567 56.048 -1.094 0.000 1.323 148 H CB 0.123 29.463 29.762 -0.703 0.000 1.381 148 H HN 0.398 nan 8.280 nan 0.000 0.498 149 E N 0.723 120.723 120.200 -0.332 0.000 2.153 149 E HA -0.157 4.199 4.350 0.010 0.000 0.194 149 E C 2.052 178.547 176.600 -0.175 0.000 0.988 149 E CA 0.925 57.147 56.400 -0.297 0.000 0.811 149 E CB -0.081 29.489 29.700 -0.217 0.000 0.746 149 E HN 0.699 nan 8.360 nan 0.000 0.466 150 E N 0.420 120.546 120.200 -0.123 0.000 2.072 150 E HA -0.159 4.197 4.350 0.010 0.000 0.190 150 E C 2.172 178.749 176.600 -0.040 0.000 0.982 150 E CA 0.692 57.056 56.400 -0.061 0.000 0.803 150 E CB -0.023 29.663 29.700 -0.024 0.000 0.755 150 E HN -0.073 nan 8.360 nan 0.000 0.453 151 R N 1.325 121.797 120.500 -0.046 0.000 2.075 151 R HA -0.078 4.268 4.340 0.010 0.000 0.232 151 R C 2.065 178.363 176.300 -0.003 0.000 1.126 151 R CA 1.143 57.260 56.100 0.028 0.000 0.963 151 R CB -0.602 29.772 30.300 0.125 0.000 0.858 151 R HN 0.148 nan 8.270 nan 0.000 0.435 152 L N 0.332 121.519 121.223 -0.059 0.000 2.042 152 L HA -0.219 4.127 4.340 0.010 0.000 0.210 152 L C 2.378 179.206 176.870 -0.071 0.000 1.076 152 L CA 1.337 56.135 54.840 -0.071 0.000 0.749 152 L CB -0.472 41.505 42.059 -0.136 0.000 0.893 152 L HN 0.273 nan 8.230 nan 0.000 0.432 153 Q N -0.397 119.363 119.800 -0.067 0.000 2.167 153 Q HA -0.237 4.108 4.340 0.010 0.000 0.202 153 Q C 1.980 177.964 176.000 -0.026 0.000 0.970 153 Q CA 1.386 57.159 55.803 -0.049 0.000 0.855 153 Q CB -0.176 28.534 28.738 -0.046 0.000 0.911 153 Q HN 0.590 nan 8.270 nan 0.000 0.438 154 E N 0.363 120.557 120.200 -0.011 0.000 2.106 154 E HA -0.117 4.238 4.350 0.010 0.000 0.192 154 E C 1.978 178.587 176.600 0.016 0.000 0.984 154 E CA 0.892 57.303 56.400 0.017 0.000 0.806 154 E CB 0.279 30.005 29.700 0.042 0.000 0.750 154 E HN 0.079 nan 8.360 nan 0.000 0.458 155 V N 1.309 121.205 119.914 -0.029 0.000 2.307 155 V HA -0.225 3.901 4.120 0.010 0.000 0.245 155 V C 2.094 178.121 176.094 -0.111 0.000 1.045 155 V CA 2.145 64.372 62.300 -0.122 0.000 1.024 155 V CB -0.490 31.145 31.823 -0.313 0.000 0.651 155 V HN 0.284 nan 8.190 nan 0.000 0.449 156 E N 0.172 120.320 120.200 -0.086 0.000 2.110 156 E HA -0.170 4.185 4.350 0.010 0.000 0.193 156 E C 2.309 178.900 176.600 -0.014 0.000 0.988 156 E CA 1.246 57.614 56.400 -0.054 0.000 0.804 156 E CB -0.310 29.360 29.700 -0.050 0.000 0.745 156 E HN 0.605 nan 8.360 nan 0.000 0.458 157 A N 1.390 124.208 122.820 -0.003 0.000 1.855 157 A HA -0.265 4.061 4.320 0.010 0.000 0.215 157 A C 2.081 179.689 177.584 0.039 0.000 1.191 157 A CA 1.720 53.767 52.037 0.016 0.000 0.613 157 A CB -0.528 18.483 19.000 0.017 0.000 0.829 157 A HN 0.272 nan 8.150 nan 0.000 0.442 158 E N -0.234 120.003 120.200 0.061 0.000 2.085 158 E HA -0.162 4.194 4.350 0.010 0.000 0.194 158 E C 1.795 178.463 176.600 0.113 0.000 0.994 158 E CA 1.672 58.137 56.400 0.107 0.000 0.801 158 E CB -0.181 29.623 29.700 0.174 0.000 0.743 158 E HN 0.284 nan 8.360 nan 0.000 0.453 159 V N 1.059 121.034 119.914 0.101 0.000 2.490 159 V HA -0.246 3.880 4.120 0.010 0.000 0.250 159 V C 2.403 178.535 176.094 0.062 0.000 1.061 159 V CA 1.618 63.977 62.300 0.098 0.000 1.064 159 V CB -0.716 31.153 31.823 0.076 0.000 0.670 159 V HN 0.474 nan 8.190 nan 0.000 0.461 160 A N 0.776 123.622 122.820 0.043 0.000 1.883 160 A HA -0.210 4.116 4.320 0.010 0.000 0.217 160 A C 2.457 180.062 177.584 0.035 0.000 1.186 160 A CA 2.420 54.475 52.037 0.031 0.000 0.624 160 A CB -0.636 18.376 19.000 0.021 0.000 0.822 160 A HN 0.692 nan 8.150 nan 0.000 0.444 161 S N -1.920 113.806 115.700 0.043 0.000 2.524 161 S HA 0.020 4.496 4.470 0.010 0.000 0.216 161 S C 1.360 175.989 174.600 0.050 0.000 0.987 161 S CA 1.273 59.498 58.200 0.041 0.000 0.909 161 S CB -0.255 62.969 63.200 0.040 0.000 0.781 161 S HN 0.811 nan 8.310 nan 0.000 0.521 162 T N -4.381 110.211 114.554 0.064 0.000 2.969 162 T HA 0.539 4.895 4.350 0.010 0.000 0.258 162 T C 1.573 176.310 174.700 0.062 0.000 0.962 162 T CA 0.789 62.931 62.100 0.070 0.000 0.903 162 T CB 0.158 69.087 68.868 0.101 0.000 1.177 162 T HN 1.135 nan 8.240 nan 0.000 0.511 163 G N 0.406 109.243 108.800 0.061 0.000 2.195 163 G HA2 -0.188 3.778 3.960 0.010 0.000 0.246 163 G HA3 -0.188 3.778 3.960 0.010 0.000 0.246 163 G C 0.217 175.152 174.900 0.057 0.000 0.984 163 G CA 0.654 45.784 45.100 0.050 0.000 0.633 163 G HN 1.030 nan 8.290 nan 0.000 0.525 164 T N -1.356 113.245 114.554 0.078 0.000 2.618 164 T HA 0.743 5.099 4.350 0.010 0.000 0.293 164 T C -1.204 173.605 174.700 0.181 0.000 1.093 164 T CA 0.472 62.611 62.100 0.065 0.000 1.061 164 T CB 1.466 70.283 68.868 -0.085 0.000 1.498 164 T HN 1.562 nan 8.240 nan 0.000 0.494 165 Y N -0.912 119.336 120.300 -0.088 0.000 2.725 165 Y HA 0.811 5.367 4.550 0.009 0.000 0.333 165 Y C -1.672 174.126 175.900 -0.170 0.000 1.242 165 Y CA -1.200 56.907 58.100 0.010 0.000 1.059 165 Y CB 0.749 39.237 38.460 0.047 0.000 1.306 165 Y HN 0.762 nan 8.280 nan 0.000 0.454 166 H N 0.620 119.739 119.070 0.082 0.000 2.747 166 H HA 0.677 5.238 4.556 0.010 0.000 0.371 166 H C -1.051 174.354 175.328 0.128 0.000 1.161 166 H CA -0.882 55.154 56.048 -0.020 0.000 1.167 166 H CB 1.985 31.765 29.762 0.030 0.000 1.732 166 H HN 0.732 nan 8.280 nan 0.000 0.544 167 L N 1.930 123.257 121.223 0.172 0.000 2.357 167 L HA 0.488 4.834 4.340 0.010 0.000 0.273 167 L C 0.581 177.535 176.870 0.141 0.000 1.080 167 L CA -0.708 54.249 54.840 0.196 0.000 0.803 167 L CB 0.930 43.075 42.059 0.143 0.000 1.174 167 L HN 0.423 nan 8.230 nan 0.000 0.443 168 R N 0.837 121.392 120.500 0.092 0.000 2.637 168 R HA 0.046 4.391 4.340 0.010 0.000 0.269 168 R C 1.068 177.369 176.300 0.003 0.000 1.089 168 R CA -0.418 55.703 56.100 0.035 0.000 1.177 168 R CB 0.793 31.087 30.300 -0.009 0.000 1.091 168 R HN 0.657 nan 8.270 nan 0.000 0.540 169 E N 1.027 121.228 120.200 0.001 0.000 2.048 169 E HA -0.285 4.071 4.350 0.010 0.000 0.202 169 E C 1.567 178.160 176.600 -0.011 0.000 1.021 169 E CA 2.457 58.852 56.400 -0.009 0.000 0.825 169 E CB 0.015 29.713 29.700 -0.002 0.000 0.756 169 E HN 0.685 nan 8.360 nan 0.000 0.454 170 S N 0.117 115.810 115.700 -0.011 0.000 2.399 170 S HA -0.180 4.296 4.470 0.010 0.000 0.231 170 S C 1.726 176.336 174.600 0.017 0.000 1.022 170 S CA 1.332 59.553 58.200 0.035 0.000 0.983 170 S CB -0.347 62.908 63.200 0.091 0.000 0.803 170 S HN 0.354 nan 8.310 nan 0.000 0.480 171 E N 0.918 120.997 120.200 -0.201 0.000 2.106 171 E HA -0.055 4.301 4.350 0.010 0.000 0.192 171 E C 2.034 178.784 176.600 0.249 0.000 0.984 171 E CA 1.052 57.357 56.400 -0.158 0.000 0.806 171 E CB -0.339 29.273 29.700 -0.147 0.000 0.750 171 E HN 0.438 nan 8.360 nan 0.000 0.458 172 L N 1.010 122.283 121.223 0.083 0.000 2.017 172 L HA -0.154 4.191 4.340 0.010 0.000 0.208 172 L C 2.229 179.100 176.870 0.001 0.000 1.073 172 L CA 1.414 56.242 54.840 -0.019 0.000 0.745 172 L CB -0.410 41.574 42.059 -0.125 0.000 0.894 172 L HN -0.069 nan 8.230 nan 0.000 0.432 173 V N -0.308 119.632 119.914 0.043 0.000 2.255 173 V HA -0.330 3.796 4.120 0.010 0.000 0.247 173 V C 2.361 178.552 176.094 0.161 0.000 1.051 173 V CA 2.226 64.561 62.300 0.058 0.000 1.018 173 V CB -1.033 30.828 31.823 0.064 0.000 0.641 173 V HN 0.575 nan 8.190 nan 0.000 0.445 174 F N 2.161 122.201 119.950 0.150 0.000 2.095 174 F HA -0.102 4.430 4.527 0.008 0.000 0.298 174 F C 2.185 178.129 175.800 0.240 0.000 1.104 174 F CA 1.872 60.011 58.000 0.231 0.000 1.232 174 F CB -1.018 38.195 39.000 0.355 0.000 0.987 174 F HN 0.125 nan 8.300 nan 0.000 0.475 175 G N -0.372 108.515 108.800 0.144 0.000 2.422 175 G HA2 -0.190 3.776 3.960 0.010 0.000 0.218 175 G HA3 -0.190 3.776 3.960 0.010 0.000 0.218 175 G C 1.806 176.584 174.900 -0.205 0.000 1.146 175 G CA 0.870 45.944 45.100 -0.043 0.000 0.769 175 G HN 0.672 nan 8.290 nan 0.000 0.547 176 A N 0.946 123.677 122.820 -0.148 0.000 1.877 176 A HA 0.008 4.334 4.320 0.010 0.000 0.216 176 A C 2.308 179.884 177.584 -0.013 0.000 1.186 176 A CA 1.939 53.892 52.037 -0.140 0.000 0.620 176 A CB -0.365 18.583 19.000 -0.087 0.000 0.822 176 A HN 0.367 nan 8.150 nan 0.000 0.443 177 K N -0.703 119.729 120.400 0.054 0.000 2.057 177 K HA -0.154 4.172 4.320 0.010 0.000 0.207 177 K C 2.299 178.941 176.600 0.070 0.000 1.049 177 K CA 1.402 57.820 56.287 0.217 0.000 0.931 177 K CB -0.163 32.515 32.500 0.296 0.000 0.714 177 K HN 0.390 nan 8.250 nan 0.000 0.440 178 Q N 0.164 119.829 119.800 -0.226 0.000 2.124 178 Q HA -0.089 4.257 4.340 0.010 0.000 0.202 178 Q C 2.195 178.044 176.000 -0.251 0.000 0.977 178 Q CA 1.496 57.071 55.803 -0.379 0.000 0.850 178 Q CB -0.280 28.119 28.738 -0.565 0.000 0.901 178 Q HN 0.338 nan 8.270 nan 0.000 0.429 179 A N 0.150 122.826 122.820 -0.241 0.000 1.933 179 A HA -0.184 4.142 4.320 0.010 0.000 0.218 179 A C 1.807 179.411 177.584 0.034 0.000 1.175 179 A CA 1.401 53.247 52.037 -0.319 0.000 0.628 179 A CB -0.887 17.589 19.000 -0.873 0.000 0.814 179 A HN 0.540 nan 8.150 nan 0.000 0.444 180 W N 0.892 122.202 121.300 0.016 0.000 2.407 180 W HA -0.084 4.581 4.660 0.008 0.000 0.305 180 W C 2.305 178.785 176.519 -0.065 0.000 1.196 180 W CA 1.374 58.771 57.345 0.087 0.000 1.311 180 W CB -0.737 28.762 29.460 0.064 0.000 1.135 180 W HN 0.361 nan 8.180 nan 0.000 0.514 181 R N 0.442 120.866 120.500 -0.127 0.000 2.117 181 R HA -0.206 4.140 4.340 0.010 0.000 0.243 181 R C 1.615 177.747 176.300 -0.280 0.000 1.143 181 R CA 1.956 57.760 56.100 -0.493 0.000 0.968 181 R CB -0.582 29.121 30.300 -0.995 0.000 0.863 181 R HN 0.096 nan 8.270 nan 0.000 0.444 182 N N 0.318 118.910 118.700 -0.180 0.000 2.467 182 N HA 0.007 4.753 4.740 0.010 0.000 0.184 182 N C -0.300 175.162 175.510 -0.080 0.000 1.106 182 N CA 0.722 53.693 53.050 -0.133 0.000 0.892 182 N CB 0.279 38.691 38.487 -0.125 0.000 0.969 182 N HN 0.189 nan 8.380 nan 0.000 0.454 183 A N 2.122 124.942 122.820 -0.001 0.000 2.489 183 A HA 0.205 4.531 4.320 0.010 0.000 0.289 183 A C -1.234 176.327 177.584 -0.039 0.000 1.216 183 A CA -0.901 51.136 52.037 -0.001 0.000 0.883 183 A CB 0.238 19.283 19.000 0.075 0.000 1.110 183 A HN 0.018 nan 8.150 nan 0.000 0.523 184 P HA -0.133 nan 4.420 nan 0.000 0.219 184 P C 1.090 178.334 177.300 -0.093 0.000 1.146 184 P CA 1.198 64.235 63.100 -0.106 0.000 0.808 184 P CB 0.153 31.755 31.700 -0.164 0.000 0.779 185 R N -2.220 118.185 120.500 -0.158 0.000 2.317 185 R HA 0.151 4.497 4.340 0.010 0.000 0.208 185 R C 0.272 176.560 176.300 -0.019 0.000 0.914 185 R CA -0.129 55.890 56.100 -0.135 0.000 1.060 185 R CB -0.410 29.607 30.300 -0.472 0.000 1.015 185 R HN 0.181 nan 8.270 nan 0.000 0.498 186 C N 0.610 119.896 119.300 -0.024 0.000 2.265 186 C HA 0.224 4.690 4.460 0.010 0.000 0.332 186 C C 1.900 176.861 174.990 -0.049 0.000 1.248 186 C CA -0.675 58.356 59.018 0.022 0.000 1.727 186 C CB 0.554 28.369 27.740 0.125 0.000 2.348 186 C HN 0.288 nan 8.230 nan 0.000 0.519 187 V N 6.068 125.907 119.914 -0.126 0.000 3.306 187 V HA 0.187 4.313 4.120 0.010 0.000 0.264 187 V C 1.824 177.960 176.094 0.070 0.000 1.149 187 V CA 2.162 64.296 62.300 -0.277 0.000 1.143 187 V CB -0.166 31.506 31.823 -0.251 0.000 0.767 187 V HN 1.079 nan 8.190 nan 0.000 0.476 188 G N -0.629 108.237 108.800 0.111 0.000 3.233 188 G HA2 0.013 3.979 3.960 0.010 0.000 0.227 188 G HA3 0.013 3.979 3.960 0.010 0.000 0.227 188 G C 1.266 176.225 174.900 0.099 0.000 1.175 188 G CA -0.310 44.873 45.100 0.138 0.000 0.781 188 G HN 0.449 nan 8.290 nan 0.000 0.542 189 R N -0.158 120.326 120.500 -0.026 0.000 2.341 189 R HA 0.095 4.440 4.340 0.010 0.000 0.213 189 R C 1.943 177.843 176.300 -0.667 0.000 1.082 189 R CA 0.202 55.994 56.100 -0.514 0.000 1.017 189 R CB -0.177 29.767 30.300 -0.593 0.000 0.860 189 R HN 0.444 nan 8.270 nan 0.000 0.473 190 I N 0.800 121.171 120.570 -0.331 0.000 2.756 190 I HA -0.214 3.962 4.170 0.010 0.000 0.262 190 I C 1.215 177.257 176.117 -0.124 0.000 1.225 190 I CA 1.155 62.408 61.300 -0.078 0.000 1.472 190 I CB 0.176 38.218 38.000 0.069 0.000 1.094 190 I HN 0.201 nan 8.210 nan 0.000 0.454 191 Q N 0.522 120.187 119.800 -0.225 0.000 2.360 191 Q HA -0.093 4.253 4.340 0.010 0.000 0.202 191 Q C 1.638 177.246 176.000 -0.652 0.000 0.915 191 Q CA 0.325 55.984 55.803 -0.239 0.000 0.943 191 Q CB -0.185 28.567 28.738 0.023 0.000 1.064 191 Q HN 0.770 nan 8.270 nan 0.000 0.511 192 W N 0.406 121.015 121.300 -1.151 0.000 2.290 192 W HA -0.191 4.476 4.660 0.013 0.000 0.311 192 W C 1.239 177.440 176.519 -0.530 0.000 1.238 192 W CA 1.357 57.866 57.345 -1.394 0.000 1.255 192 W CB -1.388 27.460 29.460 -1.020 0.000 1.145 192 W HN 0.098 nan 8.180 nan 0.000 0.506 193 G N 1.178 109.238 108.800 -1.233 0.000 2.534 193 G HA2 -0.202 3.764 3.960 0.010 0.000 0.217 193 G HA3 -0.202 3.764 3.960 0.010 0.000 0.217 193 G C 0.865 175.529 174.900 -0.393 0.000 1.128 193 G CA 0.221 44.693 45.100 -1.046 0.000 0.784 193 G HN 0.281 nan 8.290 nan 0.000 0.542 194 K N 0.151 120.415 120.400 -0.227 0.000 2.357 194 K HA 0.519 4.845 4.320 0.010 0.000 0.251 194 K C -1.640 175.059 176.600 0.166 0.000 1.069 194 K CA -0.668 55.608 56.287 -0.018 0.000 0.994 194 K CB 0.315 32.830 32.500 0.025 0.000 1.411 194 K HN 0.072 nan 8.250 nan 0.000 0.450 195 L N 3.093 124.398 121.223 0.137 0.000 2.470 195 L HA 0.316 4.661 4.340 0.010 0.000 0.268 195 L C -1.394 175.468 176.870 -0.014 0.000 0.964 195 L CA -0.409 54.531 54.840 0.166 0.000 0.839 195 L CB 1.967 44.211 42.059 0.307 0.000 1.276 195 L HN 0.448 nan 8.230 nan 0.000 0.403 196 Q N 3.412 123.141 119.800 -0.119 0.000 2.314 196 Q HA 0.490 4.836 4.340 0.010 0.000 0.257 196 Q C -1.547 174.099 176.000 -0.591 0.000 0.975 196 Q CA -0.081 55.475 55.803 -0.410 0.000 0.933 196 Q CB 1.133 29.513 28.738 -0.597 0.000 1.195 196 Q HN 0.518 nan 8.270 nan 0.000 0.426 197 V N 6.529 126.133 119.914 -0.517 0.000 2.318 197 V HA 0.335 4.461 4.120 0.010 0.000 0.271 197 V C -0.613 175.175 176.094 -0.511 0.000 1.030 197 V CA -0.526 61.524 62.300 -0.416 0.000 0.844 197 V CB -0.070 31.625 31.823 -0.214 0.000 1.015 197 V HN 0.629 nan 8.190 nan 0.000 0.460 198 F N 2.818 122.622 119.950 -0.244 0.000 2.421 198 F HA 0.325 4.855 4.527 0.005 0.000 0.358 198 F C 0.706 176.320 175.800 -0.311 0.000 1.115 198 F CA -0.787 57.059 58.000 -0.258 0.000 1.160 198 F CB 0.662 39.505 39.000 -0.263 0.000 1.123 198 F HN 0.400 nan 8.300 nan 0.000 0.508 199 D N 3.352 123.699 120.400 -0.088 0.000 2.365 199 D HA 0.374 5.019 4.640 0.010 0.000 0.237 199 D C 0.018 176.149 176.300 -0.281 0.000 1.190 199 D CA 0.111 54.000 54.000 -0.185 0.000 0.867 199 D CB 1.160 41.896 40.800 -0.108 0.000 1.050 199 D HN 0.625 nan 8.370 nan 0.000 0.491 200 A N 4.626 127.128 122.820 -0.530 0.000 2.701 200 A HA 0.161 4.487 4.320 0.010 0.000 0.297 200 A C 1.357 178.690 177.584 -0.418 0.000 1.197 200 A CA -0.424 51.106 52.037 -0.845 0.000 0.963 200 A CB 0.049 17.985 19.000 -1.773 0.000 1.175 200 A HN 0.531 nan 8.150 nan 0.000 0.531 201 R N 0.659 121.027 120.500 -0.219 0.000 2.346 201 R HA -0.046 4.300 4.340 0.010 0.000 0.199 201 R C 0.493 176.779 176.300 -0.022 0.000 1.015 201 R CA 1.054 57.100 56.100 -0.090 0.000 1.058 201 R CB 0.090 30.391 30.300 0.002 0.000 0.921 201 R HN 0.665 nan 8.270 nan 0.000 0.475 202 D N -1.020 119.385 120.400 0.008 0.000 2.379 202 D HA -0.052 4.594 4.640 0.010 0.000 0.208 202 D C 0.348 176.740 176.300 0.153 0.000 1.065 202 D CA -0.341 53.712 54.000 0.088 0.000 0.848 202 D CB -0.509 40.358 40.800 0.113 0.000 0.949 202 D HN -0.028 nan 8.370 nan 0.000 0.509 203 C N 2.174 121.569 119.300 0.159 0.000 2.590 203 C HA 0.300 4.766 4.460 0.010 0.000 0.411 203 C C 1.634 176.807 174.990 0.305 0.000 1.420 203 C CA 0.713 59.903 59.018 0.286 0.000 1.643 203 C CB -0.748 27.198 27.740 0.343 0.000 2.528 203 C HN 0.455 nan 8.230 nan 0.000 0.606 204 S N 2.599 118.494 115.700 0.325 0.000 2.819 204 S HA 0.330 4.806 4.470 0.010 0.000 0.249 204 S C -0.074 174.673 174.600 0.245 0.000 1.030 204 S CA 0.192 58.589 58.200 0.329 0.000 1.052 204 S CB -0.195 63.131 63.200 0.210 0.000 1.017 204 S HN 1.260 nan 8.310 nan 0.000 0.576 205 S N -0.417 115.430 115.700 0.245 0.000 2.570 205 S HA 0.804 5.280 4.470 0.010 0.000 0.270 205 S C 0.791 175.462 174.600 0.119 0.000 1.149 205 S CA -0.305 57.979 58.200 0.139 0.000 0.837 205 S CB 0.986 64.253 63.200 0.111 0.000 1.124 205 S HN 0.493 nan 8.310 nan 0.000 0.465 206 A N 0.991 123.855 122.820 0.074 0.000 1.902 206 A HA -0.080 4.246 4.320 0.010 0.000 0.217 206 A C 2.119 179.675 177.584 -0.046 0.000 1.181 206 A CA 2.211 54.280 52.037 0.053 0.000 0.623 206 A CB -1.253 17.842 19.000 0.159 0.000 0.818 206 A HN 0.956 nan 8.150 nan 0.000 0.443 207 Q N 0.231 120.086 119.800 0.092 0.000 2.135 207 Q HA -0.202 4.144 4.340 0.010 0.000 0.204 207 Q C 1.854 177.831 176.000 -0.039 0.000 0.981 207 Q CA 2.354 58.170 55.803 0.021 0.000 0.856 207 Q CB -0.394 28.457 28.738 0.189 0.000 0.902 207 Q HN 0.750 nan 8.270 nan 0.000 0.425 208 E N -0.953 119.272 120.200 0.042 0.000 2.208 208 E HA -0.130 4.226 4.350 0.010 0.000 0.193 208 E C 1.833 178.525 176.600 0.153 0.000 0.988 208 E CA 0.905 57.351 56.400 0.076 0.000 0.828 208 E CB -0.050 29.742 29.700 0.153 0.000 0.763 208 E HN 0.484 nan 8.360 nan 0.000 0.478 209 M N -0.287 119.361 119.600 0.080 0.000 2.117 209 M HA -0.124 4.362 4.480 0.010 0.000 0.262 209 M C 2.075 178.402 176.300 0.045 0.000 1.065 209 M CA 1.314 56.619 55.300 0.008 0.000 1.114 209 M CB -0.290 32.105 32.600 -0.341 0.000 1.361 209 M HN 0.199 nan 8.290 nan 0.000 0.408 210 F N 0.929 120.657 119.950 -0.370 0.000 2.134 210 F HA -0.230 4.305 4.527 0.012 0.000 0.299 210 F C 2.244 177.929 175.800 -0.193 0.000 1.097 210 F CA 1.602 59.337 58.000 -0.443 0.000 1.264 210 F CB -0.094 38.307 39.000 -0.998 0.000 1.001 210 F HN 0.046 nan 8.300 nan 0.000 0.479 211 T N -0.445 113.985 114.554 -0.207 0.000 2.708 211 T HA -0.244 4.111 4.350 0.010 0.000 0.266 211 T C 1.579 176.136 174.700 -0.239 0.000 1.037 211 T CA 1.890 63.822 62.100 -0.281 0.000 1.146 211 T CB -0.797 67.931 68.868 -0.233 0.000 0.865 211 T HN 0.366 nan 8.240 nan 0.000 0.435 212 Y N 0.869 121.128 120.300 -0.069 0.000 2.181 212 Y HA -0.067 4.488 4.550 0.008 0.000 0.288 212 Y C 2.336 178.186 175.900 -0.084 0.000 1.146 212 Y CA 0.814 58.883 58.100 -0.053 0.000 1.164 212 Y CB -0.335 38.200 38.460 0.126 0.000 0.982 212 Y HN 0.152 nan 8.280 nan 0.000 0.515 213 I N -1.411 119.243 120.570 0.139 0.000 2.226 213 I HA -0.362 3.814 4.170 0.010 0.000 0.245 213 I C 2.264 178.307 176.117 -0.123 0.000 1.100 213 I CA 0.934 62.243 61.300 0.016 0.000 1.374 213 I CB -0.480 37.527 38.000 0.013 0.000 1.057 213 I HN 0.338 nan 8.210 nan 0.000 0.413 214 C N 0.596 119.712 119.300 -0.306 0.000 2.440 214 C HA -0.113 4.353 4.460 0.010 0.000 0.278 214 C C 2.617 177.504 174.990 -0.172 0.000 1.295 214 C CA 0.702 59.528 59.018 -0.320 0.000 1.738 214 C CB -1.366 26.056 27.740 -0.531 0.000 1.987 214 C HN 0.543 nan 8.230 nan 0.000 0.492 215 N N -0.041 118.552 118.700 -0.179 0.000 2.188 215 N HA -0.134 4.612 4.740 0.010 0.000 0.184 215 N C 1.460 176.880 175.510 -0.149 0.000 1.018 215 N CA 1.363 54.308 53.050 -0.175 0.000 0.858 215 N CB -0.747 37.585 38.487 -0.259 0.000 0.989 215 N HN 0.754 nan 8.380 nan 0.000 0.426 216 H N 0.758 119.670 119.070 -0.264 0.000 2.293 216 H HA 0.036 4.599 4.556 0.012 0.000 0.300 216 H C 2.175 177.512 175.328 0.016 0.000 1.082 216 H CA 1.579 57.524 56.048 -0.171 0.000 1.308 216 H CB -0.044 29.664 29.762 -0.089 0.000 1.375 216 H HN 0.076 nan 8.280 nan 0.000 0.495 217 I N 0.717 121.417 120.570 0.217 0.000 2.163 217 I HA -0.295 3.881 4.170 0.010 0.000 0.243 217 I C 2.440 178.633 176.117 0.127 0.000 1.085 217 I CA 1.538 62.930 61.300 0.154 0.000 1.347 217 I CB -0.325 37.687 38.000 0.021 0.000 1.044 217 I HN 0.347 nan 8.210 nan 0.000 0.408 218 K N -0.058 120.384 120.400 0.070 0.000 2.026 218 K HA -0.246 4.080 4.320 0.010 0.000 0.208 218 K C 2.247 178.904 176.600 0.096 0.000 1.048 218 K CA 1.848 58.169 56.287 0.055 0.000 0.929 218 K CB -0.424 32.085 32.500 0.015 0.000 0.713 218 K HN 0.245 nan 8.250 nan 0.000 0.439 219 Y N 1.326 121.640 120.300 0.023 0.000 2.114 219 Y HA -0.243 4.310 4.550 0.004 0.000 0.284 219 Y C 2.219 178.181 175.900 0.103 0.000 1.143 219 Y CA 1.541 59.685 58.100 0.075 0.000 1.135 219 Y CB -0.418 38.127 38.460 0.141 0.000 0.980 219 Y HN 0.053 nan 8.280 nan 0.000 0.499 220 A N -0.774 122.251 122.820 0.343 0.000 1.902 220 A HA -0.179 4.147 4.320 0.010 0.000 0.217 220 A C 2.212 179.889 177.584 0.155 0.000 1.181 220 A CA 2.316 54.516 52.037 0.272 0.000 0.623 220 A CB -1.312 17.887 19.000 0.331 0.000 0.818 220 A HN 0.523 nan 8.150 nan 0.000 0.443 221 T N -0.259 114.373 114.554 0.129 0.000 2.777 221 T HA -0.097 4.258 4.350 0.010 0.000 0.266 221 T C 1.096 175.818 174.700 0.037 0.000 1.040 221 T CA 1.154 63.312 62.100 0.097 0.000 1.141 221 T CB -0.434 68.485 68.868 0.084 0.000 0.868 221 T HN 0.656 nan 8.240 nan 0.000 0.444 222 N N 1.281 119.973 118.700 -0.013 0.000 2.707 222 N HA -0.262 4.484 4.740 0.010 0.000 0.253 222 N C -0.272 175.218 175.510 -0.033 0.000 0.998 222 N CA 0.522 53.535 53.050 -0.062 0.000 0.751 222 N CB -1.330 37.081 38.487 -0.127 0.000 0.920 222 N HN 0.485 nan 8.380 nan 0.000 0.539 223 R N -2.142 118.351 120.500 -0.012 0.000 3.627 223 R HA -0.221 4.125 4.340 0.010 0.000 0.281 223 R C 1.356 177.649 176.300 -0.012 0.000 1.140 223 R CA 1.171 57.265 56.100 -0.011 0.000 0.761 223 R CB -1.886 28.401 30.300 -0.021 0.000 1.181 223 R HN 0.932 nan 8.270 nan 0.000 0.472 224 G N -0.500 108.303 108.800 0.006 0.000 2.284 224 G HA2 -0.321 3.645 3.960 0.010 0.000 0.216 224 G HA3 -0.321 3.645 3.960 0.010 0.000 0.216 224 G C -0.001 174.901 174.900 0.003 0.000 1.009 224 G CA 0.001 45.106 45.100 0.009 0.000 0.625 224 G HN 0.371 nan 8.290 nan 0.000 0.501 225 N N 1.640 120.327 118.700 -0.021 0.000 3.188 225 N HA 0.451 5.197 4.740 0.010 0.000 0.279 225 N C 0.409 175.905 175.510 -0.023 0.000 1.213 225 N CA -0.419 52.601 53.050 -0.050 0.000 1.138 225 N CB -0.419 38.031 38.487 -0.062 0.000 1.417 225 N HN 0.250 nan 8.380 nan 0.000 0.526 226 L N 1.749 122.991 121.223 0.032 0.000 2.543 226 L HA 0.046 4.392 4.340 0.010 0.000 0.285 226 L C 0.846 177.853 176.870 0.230 0.000 1.236 226 L CA 1.039 55.972 54.840 0.156 0.000 0.871 226 L CB 0.138 42.377 42.059 0.300 0.000 1.121 226 L HN 0.327 nan 8.230 nan 0.000 0.501 227 R N 1.493 122.141 120.500 0.248 0.000 2.561 227 R HA 0.445 4.791 4.340 0.010 0.000 0.297 227 R C -0.593 175.898 176.300 0.317 0.000 0.969 227 R CA -0.703 55.572 56.100 0.291 0.000 0.879 227 R CB 1.674 32.050 30.300 0.128 0.000 1.178 227 R HN 0.556 nan 8.270 nan 0.000 0.445 228 S N 1.461 117.338 115.700 0.295 0.000 2.549 228 S HA 0.449 4.925 4.470 0.010 0.000 0.283 228 S C -0.238 174.416 174.600 0.089 0.000 1.320 228 S CA -0.122 58.144 58.200 0.111 0.000 1.058 228 S CB 1.108 64.335 63.200 0.044 0.000 0.882 228 S HN 0.698 nan 8.310 nan 0.000 0.498 229 A N 2.723 125.551 122.820 0.014 0.000 2.610 229 A HA 0.834 5.160 4.320 0.010 0.000 0.291 229 A C -1.337 176.249 177.584 0.003 0.000 1.086 229 A CA -0.661 51.316 52.037 -0.100 0.000 0.677 229 A CB 1.201 20.076 19.000 -0.208 0.000 1.278 229 A HN 0.793 nan 8.150 nan 0.000 0.414 230 I N 0.405 120.968 120.570 -0.013 0.000 2.692 230 I HA 0.580 4.756 4.170 0.010 0.000 0.293 230 I C -1.196 175.008 176.117 0.145 0.000 1.200 230 I CA -0.074 61.343 61.300 0.195 0.000 1.036 230 I CB 2.357 40.440 38.000 0.137 0.000 1.258 230 I HN 0.611 nan 8.210 nan 0.000 0.421 231 T N 6.404 121.083 114.554 0.209 0.000 2.779 231 T HA 0.466 4.821 4.350 0.010 0.000 0.280 231 T C -0.683 173.803 174.700 -0.356 0.000 0.987 231 T CA -0.364 61.697 62.100 -0.065 0.000 0.966 231 T CB 1.545 70.354 68.868 -0.099 0.000 0.933 231 T HN 0.262 nan 8.240 nan 0.000 0.442 232 V N 5.132 124.761 119.914 -0.475 0.000 2.347 232 V HA 0.470 4.596 4.120 0.010 0.000 0.280 232 V C -0.427 175.323 176.094 -0.572 0.000 1.021 232 V CA -0.796 61.222 62.300 -0.471 0.000 0.847 232 V CB 0.094 31.607 31.823 -0.518 0.000 0.990 232 V HN 0.711 nan 8.190 nan 0.000 0.444 233 F N 5.175 125.019 119.950 -0.177 0.000 2.362 233 F HA 0.513 5.047 4.527 0.011 0.000 0.311 233 F C -1.811 173.853 175.800 -0.227 0.000 1.161 233 F CA -2.468 55.349 58.000 -0.305 0.000 1.085 233 F CB 0.209 39.023 39.000 -0.311 0.000 1.311 233 F HN 0.288 nan 8.300 nan 0.000 0.524 234 P HA -0.020 nan 4.420 nan 0.000 0.265 234 P C -0.984 176.315 177.300 -0.000 0.000 1.187 234 P CA -0.046 62.940 63.100 -0.190 0.000 0.766 234 P CB 0.201 31.644 31.700 -0.429 0.000 0.820 235 Q N 3.251 123.010 119.800 -0.069 0.000 2.492 235 Q HA 0.178 4.524 4.340 0.010 0.000 0.238 235 Q C -0.285 175.611 176.000 -0.174 0.000 1.045 235 Q CA -0.417 55.128 55.803 -0.430 0.000 0.934 235 Q CB 0.515 28.698 28.738 -0.923 0.000 1.276 235 Q HN 0.322 nan 8.270 nan 0.000 0.521 236 R N 0.044 120.421 120.500 -0.206 0.000 2.537 236 R HA 0.360 4.706 4.340 0.010 0.000 0.280 236 R C -0.677 175.562 176.300 -0.102 0.000 1.058 236 R CA 0.349 56.399 56.100 -0.083 0.000 1.057 236 R CB 0.566 30.809 30.300 -0.094 0.000 0.973 236 R HN 0.676 nan 8.270 nan 0.000 0.438 237 A N 4.833 127.635 122.820 -0.029 0.000 2.355 237 A HA 0.517 4.843 4.320 0.010 0.000 0.317 237 A C -2.399 175.177 177.584 -0.015 0.000 1.094 237 A CA -2.072 49.950 52.037 -0.025 0.000 0.764 237 A CB 1.169 20.185 19.000 0.027 0.000 1.230 237 A HN 0.429 nan 8.150 nan 0.000 0.448 238 P HA 0.259 nan 4.420 nan 0.000 0.261 238 P C 1.203 178.506 177.300 0.003 0.000 1.183 238 P CA 2.113 65.208 63.100 -0.008 0.000 0.761 238 P CB 0.681 32.379 31.700 -0.003 0.000 0.785 239 G N 2.641 111.442 108.800 0.002 0.000 2.550 239 G HA2 -0.309 3.657 3.960 0.010 0.000 0.233 239 G HA3 -0.309 3.657 3.960 0.010 0.000 0.233 239 G C 0.556 175.459 174.900 0.005 0.000 1.170 239 G CA -0.011 45.092 45.100 0.005 0.000 0.693 239 G HN 0.720 nan 8.290 nan 0.000 0.512 240 R N 1.875 122.380 120.500 0.009 0.000 2.531 240 R HA 0.507 4.852 4.340 0.010 0.000 0.273 240 R C 1.210 177.509 176.300 -0.003 0.000 1.070 240 R CA 0.310 56.413 56.100 0.006 0.000 1.112 240 R CB 0.204 30.516 30.300 0.020 0.000 1.049 240 R HN 0.437 nan 8.270 nan 0.000 0.508 241 G N 1.506 110.293 108.800 -0.021 0.000 2.667 241 G HA2 0.018 3.984 3.960 0.010 0.000 0.250 241 G HA3 0.018 3.984 3.960 0.010 0.000 0.250 241 G C -0.692 174.190 174.900 -0.030 0.000 1.212 241 G CA -0.464 44.620 45.100 -0.026 0.000 0.874 241 G HN 0.613 nan 8.290 nan 0.000 0.561 242 D N -0.779 119.619 120.400 -0.004 0.000 2.283 242 D HA 0.349 4.995 4.640 0.010 0.000 0.248 242 D C -0.396 175.922 176.300 0.030 0.000 1.072 242 D CA -0.000 54.031 54.000 0.052 0.000 0.929 242 D CB 1.127 41.967 40.800 0.066 0.000 1.182 242 D HN 0.085 nan 8.370 nan 0.000 0.433 243 F N 1.553 121.530 119.950 0.045 0.000 2.420 243 F HA 0.332 4.865 4.527 0.011 0.000 0.352 243 F C 0.976 176.808 175.800 0.052 0.000 1.108 243 F CA 0.013 58.030 58.000 0.029 0.000 1.162 243 F CB 0.658 39.676 39.000 0.030 0.000 1.118 243 F HN -0.188 nan 8.300 nan 0.000 0.510 244 R N 3.887 124.512 120.500 0.207 0.000 2.698 244 R HA 0.519 4.865 4.340 0.010 0.000 0.275 244 R C -1.310 175.141 176.300 0.251 0.000 1.001 244 R CA -0.858 55.380 56.100 0.230 0.000 0.896 244 R CB 2.291 32.745 30.300 0.257 0.000 1.218 244 R HN 0.621 nan 8.270 nan 0.000 0.462 245 I N 2.108 122.819 120.570 0.235 0.000 2.354 245 I HA 0.157 4.333 4.170 0.010 0.000 0.286 245 I C 0.486 176.811 176.117 0.347 0.000 1.007 245 I CA -0.455 60.979 61.300 0.223 0.000 1.167 245 I CB 1.164 39.239 38.000 0.125 0.000 1.320 245 I HN 0.527 nan 8.210 nan 0.000 0.458 246 W N 3.543 124.887 121.300 0.074 0.000 2.363 246 W HA -0.118 4.548 4.660 0.009 0.000 0.296 246 W C 0.999 177.627 176.519 0.182 0.000 1.212 246 W CA 0.225 57.676 57.345 0.177 0.000 1.260 246 W CB -0.887 28.681 29.460 0.180 0.000 1.131 246 W HN 0.409 nan 8.180 nan 0.000 0.530 247 N N 0.076 118.949 118.700 0.289 0.000 2.441 247 N HA 0.011 4.757 4.740 0.010 0.000 0.251 247 N C 1.277 176.854 175.510 0.112 0.000 1.242 247 N CA 0.875 54.015 53.050 0.150 0.000 0.898 247 N CB 0.666 39.178 38.487 0.041 0.000 1.100 247 N HN -0.081 nan 8.380 nan 0.000 0.443 248 S N 0.493 116.249 115.700 0.094 0.000 2.489 248 S HA -0.008 4.468 4.470 0.010 0.000 0.228 248 S C 0.307 174.907 174.600 -0.000 0.000 0.995 248 S CA 0.563 58.803 58.200 0.067 0.000 0.934 248 S CB 0.050 63.310 63.200 0.100 0.000 0.771 248 S HN 0.650 nan 8.310 nan 0.000 0.522 249 Q N -0.863 118.921 119.800 -0.027 0.000 2.462 249 Q HA 0.478 4.824 4.340 0.010 0.000 0.285 249 Q C 0.027 175.947 176.000 -0.134 0.000 1.035 249 Q CA -0.598 55.149 55.803 -0.094 0.000 0.799 249 Q CB 1.797 30.505 28.738 -0.052 0.000 1.452 249 Q HN 0.108 nan 8.270 nan 0.000 0.404 250 L N 0.038 121.153 121.223 -0.180 0.000 2.217 250 L HA 0.068 4.414 4.340 0.010 0.000 0.211 250 L C 0.323 177.042 176.870 -0.251 0.000 1.107 250 L CA 0.757 55.490 54.840 -0.179 0.000 0.783 250 L CB 0.216 42.163 42.059 -0.188 0.000 0.919 250 L HN 0.237 nan 8.230 nan 0.000 0.442 251 V N 1.051 120.724 119.914 -0.403 0.000 2.443 251 V HA 0.508 4.634 4.120 0.010 0.000 0.293 251 V C -0.423 175.146 176.094 -0.875 0.000 1.021 251 V CA -0.699 61.176 62.300 -0.709 0.000 0.848 251 V CB 1.659 32.861 31.823 -1.034 0.000 0.998 251 V HN 0.148 nan 8.190 nan 0.000 0.424 252 R N 2.768 122.879 120.500 -0.648 0.000 2.668 252 R HA 0.521 4.867 4.340 0.010 0.000 0.272 252 R C -1.759 174.311 176.300 -0.383 0.000 1.019 252 R CA -0.825 55.015 56.100 -0.433 0.000 0.894 252 R CB 2.092 32.291 30.300 -0.167 0.000 1.228 252 R HN 0.553 nan 8.270 nan 0.000 0.460 253 Y N 0.263 120.549 120.300 -0.024 0.000 2.323 253 Y HA 0.510 5.066 4.550 0.010 0.000 0.331 253 Y C 0.950 176.805 175.900 -0.075 0.000 1.092 253 Y CA -0.691 57.406 58.100 -0.005 0.000 1.150 253 Y CB 1.305 39.835 38.460 0.116 0.000 1.200 253 Y HN 0.697 nan 8.280 nan 0.000 0.472 254 A N 1.802 124.632 122.820 0.016 0.000 2.483 254 A HA 0.529 4.855 4.320 0.010 0.000 0.238 254 A C 0.613 177.951 177.584 -0.411 0.000 1.070 254 A CA 0.292 52.178 52.037 -0.252 0.000 0.770 254 A CB -0.236 18.541 19.000 -0.371 0.000 1.008 254 A HN 0.945 nan 8.150 nan 0.000 0.497 255 G N 0.716 109.283 108.800 -0.389 0.000 2.605 255 G HA2 0.539 4.505 3.960 0.010 0.000 0.304 255 G HA3 0.539 4.505 3.960 0.010 0.000 0.304 255 G C -0.981 173.767 174.900 -0.253 0.000 1.333 255 G CA -0.283 44.639 45.100 -0.297 0.000 0.973 255 G HN 0.572 nan 8.290 nan 0.000 0.507 256 Y N 1.725 122.036 120.300 0.018 0.000 2.353 256 Y HA 0.414 4.970 4.550 0.010 0.000 0.340 256 Y C 0.960 176.859 175.900 -0.002 0.000 0.972 256 Y CA -1.117 56.996 58.100 0.021 0.000 1.157 256 Y CB 1.355 39.827 38.460 0.020 0.000 1.157 256 Y HN 0.502 nan 8.280 nan 0.000 0.495 257 R N 3.053 123.640 120.500 0.145 0.000 2.522 257 R HA 0.057 4.403 4.340 0.010 0.000 0.284 257 R C -0.360 175.980 176.300 0.067 0.000 1.032 257 R CA 0.061 56.207 56.100 0.076 0.000 1.049 257 R CB 0.342 30.675 30.300 0.055 0.000 0.956 257 R HN 0.568 nan 8.270 nan 0.000 0.422 258 Q N 2.379 122.204 119.800 0.043 0.000 2.180 258 Q HA 0.044 4.390 4.340 0.010 0.000 0.241 258 Q C 0.767 176.775 176.000 0.013 0.000 0.970 258 Q CA -0.417 55.401 55.803 0.025 0.000 0.919 258 Q CB 1.155 29.904 28.738 0.019 0.000 1.222 258 Q HN 0.803 nan 8.270 nan 0.000 0.482 259 Q N 0.462 120.264 119.800 0.004 0.000 2.119 259 Q HA -0.189 4.157 4.340 0.010 0.000 0.201 259 Q C 0.479 176.480 176.000 0.001 0.000 0.972 259 Q CA 2.151 57.954 55.803 -0.000 0.000 0.847 259 Q CB -0.258 28.476 28.738 -0.007 0.000 0.903 259 Q HN 0.693 nan 8.270 nan 0.000 0.433 260 D N -0.243 120.158 120.400 0.002 0.000 2.371 260 D HA 0.091 4.737 4.640 0.010 0.000 0.221 260 D C 1.198 177.501 176.300 0.005 0.000 0.986 260 D CA 1.079 55.080 54.000 0.002 0.000 0.899 260 D CB 0.092 40.893 40.800 0.001 0.000 0.902 260 D HN 0.525 nan 8.370 nan 0.000 0.530 261 G N -0.364 108.440 108.800 0.008 0.000 2.232 261 G HA2 -0.288 3.677 3.960 0.010 0.000 0.226 261 G HA3 -0.288 3.677 3.960 0.010 0.000 0.226 261 G C 0.609 175.516 174.900 0.011 0.000 0.996 261 G CA 0.287 45.393 45.100 0.010 0.000 0.626 261 G HN 0.805 nan 8.290 nan 0.000 0.509 262 S N -0.752 114.953 115.700 0.009 0.000 2.633 262 S HA 0.722 5.198 4.470 0.010 0.000 0.257 262 S C 0.109 174.713 174.600 0.006 0.000 1.265 262 S CA 0.158 58.361 58.200 0.005 0.000 0.980 262 S CB 2.058 65.260 63.200 0.003 0.000 1.017 262 S HN 1.168 nan 8.310 nan 0.000 0.577 263 V N 0.770 120.679 119.914 -0.009 0.000 2.638 263 V HA 0.543 4.669 4.120 0.010 0.000 0.306 263 V C -0.116 175.955 176.094 -0.038 0.000 1.052 263 V CA -0.819 61.472 62.300 -0.016 0.000 0.885 263 V CB 1.699 33.496 31.823 -0.044 0.000 0.999 263 V HN 0.927 nan 8.190 nan 0.000 0.424 264 R N 2.535 123.041 120.500 0.009 0.000 2.294 264 R HA 0.688 5.034 4.340 0.010 0.000 0.319 264 R C 0.562 176.814 176.300 -0.081 0.000 0.984 264 R CA 0.892 56.995 56.100 0.006 0.000 0.861 264 R CB 1.171 31.546 30.300 0.124 0.000 1.104 264 R HN 1.208 nan 8.270 nan 0.000 0.451 265 G N 2.995 111.653 108.800 -0.237 0.000 2.464 265 G HA2 -0.247 3.719 3.960 0.010 0.000 0.216 265 G HA3 -0.247 3.719 3.960 0.010 0.000 0.216 265 G C -1.297 173.199 174.900 -0.674 0.000 1.186 265 G CA -0.084 44.790 45.100 -0.377 0.000 1.010 265 G HN 0.625 nan 8.290 nan 0.000 0.585 266 D N 1.704 121.857 120.400 -0.411 0.000 2.396 266 D HA 0.578 5.223 4.640 0.010 0.000 0.225 266 D C -1.070 175.128 176.300 -0.169 0.000 1.121 266 D CA -2.011 51.787 54.000 -0.338 0.000 0.853 266 D CB 1.459 42.367 40.800 0.179 0.000 1.043 266 D HN -0.018 nan 8.370 nan 0.000 0.500 267 P HA -0.121 nan 4.420 nan 0.000 0.220 267 P C 0.912 178.217 177.300 0.009 0.000 1.144 267 P CA 0.998 64.057 63.100 -0.067 0.000 0.800 267 P CB 0.292 31.963 31.700 -0.048 0.000 0.772 268 A N -0.449 122.399 122.820 0.047 0.000 2.015 268 A HA -0.130 4.196 4.320 0.010 0.000 0.219 268 A C 1.517 179.151 177.584 0.084 0.000 1.163 268 A CA 1.367 53.465 52.037 0.101 0.000 0.646 268 A CB -0.845 18.246 19.000 0.151 0.000 0.806 268 A HN 0.168 nan 8.150 nan 0.000 0.448 269 N N -0.107 118.624 118.700 0.051 0.000 2.380 269 N HA 0.183 4.929 4.740 0.010 0.000 0.255 269 N C 0.941 176.442 175.510 -0.016 0.000 1.158 269 N CA 0.085 53.150 53.050 0.025 0.000 0.878 269 N CB 0.753 39.252 38.487 0.020 0.000 1.138 269 N HN 0.200 nan 8.380 nan 0.000 0.509 270 V N 0.735 120.645 119.914 -0.007 0.000 2.307 270 V HA -0.229 3.897 4.120 0.010 0.000 0.245 270 V C 2.456 178.539 176.094 -0.017 0.000 1.045 270 V CA 1.787 64.081 62.300 -0.011 0.000 1.024 270 V CB -0.259 31.567 31.823 0.005 0.000 0.651 270 V HN 0.387 nan 8.190 nan 0.000 0.449 271 E N -0.065 120.121 120.200 -0.023 0.000 2.031 271 E HA -0.273 4.083 4.350 0.010 0.000 0.193 271 E C 2.130 178.627 176.600 -0.172 0.000 0.994 271 E CA 1.889 58.236 56.400 -0.088 0.000 0.800 271 E CB -0.238 29.426 29.700 -0.059 0.000 0.752 271 E HN 0.466 nan 8.360 nan 0.000 0.447 272 I N 0.823 121.313 120.570 -0.133 0.000 2.286 272 I HA -0.212 3.963 4.170 0.010 0.000 0.248 272 I C 2.035 178.102 176.117 -0.084 0.000 1.115 272 I CA 1.638 62.856 61.300 -0.137 0.000 1.392 272 I CB -0.472 37.504 38.000 -0.041 0.000 1.065 272 I HN 0.123 nan 8.210 nan 0.000 0.418 273 T N 0.526 115.050 114.554 -0.050 0.000 2.708 273 T HA -0.173 4.183 4.350 0.010 0.000 0.266 273 T C 1.724 176.489 174.700 0.108 0.000 1.037 273 T CA 1.834 63.944 62.100 0.016 0.000 1.146 273 T CB -0.287 68.589 68.868 0.012 0.000 0.865 273 T HN 0.490 nan 8.240 nan 0.000 0.435 274 E N 0.853 121.086 120.200 0.054 0.000 2.077 274 E HA -0.060 4.296 4.350 0.010 0.000 0.193 274 E C 2.268 178.896 176.600 0.047 0.000 0.989 274 E CA 0.828 57.263 56.400 0.058 0.000 0.800 274 E CB -0.334 29.370 29.700 0.006 0.000 0.746 274 E HN 0.406 nan 8.360 nan 0.000 0.452 275 L N 0.481 121.698 121.223 -0.009 0.000 2.046 275 L HA -0.236 4.110 4.340 0.010 0.000 0.208 275 L C 2.642 179.624 176.870 0.186 0.000 1.077 275 L CA 0.855 55.730 54.840 0.058 0.000 0.747 275 L CB -0.441 41.593 42.059 -0.042 0.000 0.896 275 L HN 0.323 nan 8.230 nan 0.000 0.432 276 C N -0.123 119.243 119.300 0.110 0.000 2.429 276 C HA -0.156 4.310 4.460 0.010 0.000 0.277 276 C C 2.727 177.889 174.990 0.288 0.000 1.262 276 C CA 0.459 59.552 59.018 0.126 0.000 1.733 276 C CB -0.642 27.061 27.740 -0.062 0.000 2.010 276 C HN 0.418 nan 8.230 nan 0.000 0.483 277 I N 0.457 121.213 120.570 0.311 0.000 2.142 277 I HA -0.282 3.894 4.170 0.010 0.000 0.240 277 I C 2.633 178.814 176.117 0.106 0.000 1.078 277 I CA 1.621 63.068 61.300 0.244 0.000 1.343 277 I CB -0.727 37.383 38.000 0.183 0.000 1.046 277 I HN 0.444 nan 8.210 nan 0.000 0.405 278 Q N -0.166 119.662 119.800 0.046 0.000 2.376 278 Q HA -0.198 4.147 4.340 0.010 0.000 0.211 278 Q C 1.078 176.945 176.000 -0.223 0.000 0.986 278 Q CA 0.968 56.717 55.803 -0.091 0.000 0.886 278 Q CB -0.132 28.526 28.738 -0.133 0.000 0.927 278 Q HN 0.620 nan 8.270 nan 0.000 0.457 279 H N -1.570 117.498 119.070 -0.003 0.000 2.507 279 H HA 0.202 4.765 4.556 0.010 0.000 0.294 279 H C 0.942 176.253 175.328 -0.028 0.000 1.064 279 H CA 0.659 56.679 56.048 -0.046 0.000 1.138 279 H CB 0.972 30.667 29.762 -0.110 0.000 1.515 279 H HN 0.434 nan 8.280 nan 0.000 0.547 280 G N 0.810 109.650 108.800 0.066 0.000 2.175 280 G HA2 -0.250 3.716 3.960 0.010 0.000 0.244 280 G HA3 -0.250 3.716 3.960 0.010 0.000 0.244 280 G C -0.043 174.921 174.900 0.106 0.000 0.982 280 G CA 0.010 45.138 45.100 0.047 0.000 0.641 280 G HN 0.406 nan 8.290 nan 0.000 0.527 281 W N 2.568 123.852 121.300 -0.027 0.000 2.266 281 W HA 0.632 5.298 4.660 0.010 0.000 0.317 281 W C 0.272 176.786 176.519 -0.007 0.000 1.310 281 W CA 0.230 57.563 57.345 -0.020 0.000 1.207 281 W CB 0.787 30.246 29.460 -0.003 0.000 1.199 281 W HN 0.035 nan 8.180 nan 0.000 0.544 282 T N 9.854 124.039 114.554 -0.616 0.000 2.739 282 T HA 0.172 4.528 4.350 0.010 0.000 0.298 282 T C -2.036 171.911 174.700 -1.254 0.000 0.929 282 T CA -0.896 60.815 62.100 -0.648 0.000 1.014 282 T CB 0.277 68.914 68.868 -0.385 0.000 0.914 282 T HN 0.246 nan 8.240 nan 0.000 0.509 283 P HA 0.210 nan 4.420 nan 0.000 0.269 283 P C 0.435 177.328 177.300 -0.678 0.000 1.215 283 P CA -0.175 62.244 63.100 -1.135 0.000 0.780 283 P CB 0.823 32.270 31.700 -0.422 0.000 0.898 284 G N 0.991 109.560 108.800 -0.385 0.000 2.606 284 G HA2 0.324 4.290 3.960 0.010 0.000 0.262 284 G HA3 0.324 4.290 3.960 0.010 0.000 0.262 284 G C 0.067 174.681 174.900 -0.477 0.000 1.394 284 G CA -0.692 44.292 45.100 -0.193 0.000 1.044 284 G HN 0.771 nan 8.290 nan 0.000 0.553 285 N N -1.578 116.973 118.700 -0.247 0.000 2.381 285 N HA 0.272 5.018 4.740 0.010 0.000 0.257 285 N C 0.410 175.930 175.510 0.017 0.000 1.409 285 N CA -0.416 52.436 53.050 -0.330 0.000 0.836 285 N CB 0.859 39.193 38.487 -0.255 0.000 1.384 285 N HN 0.658 nan 8.380 nan 0.000 0.490 286 G N 0.430 109.363 108.800 0.222 0.000 2.531 286 G HA2 0.228 4.194 3.960 0.010 0.000 0.313 286 G HA3 0.228 4.194 3.960 0.010 0.000 0.313 286 G C 0.172 175.189 174.900 0.195 0.000 1.238 286 G CA -0.728 44.493 45.100 0.200 0.000 0.994 286 G HN 0.186 nan 8.290 nan 0.000 0.493 287 R N -1.421 119.097 120.500 0.031 0.000 2.254 287 R HA 0.211 4.557 4.340 0.010 0.000 0.195 287 R C -0.102 175.773 176.300 -0.709 0.000 0.957 287 R CA 0.380 56.312 56.100 -0.280 0.000 1.024 287 R CB 0.024 30.124 30.300 -0.334 0.000 0.952 287 R HN 0.376 nan 8.270 nan 0.000 0.484 288 F N 0.893 120.814 119.950 -0.049 0.000 2.577 288 F HA 0.294 4.827 4.527 0.010 0.000 0.342 288 F C -1.004 174.814 175.800 0.030 0.000 1.479 288 F CA -1.086 56.670 58.000 -0.407 0.000 1.110 288 F CB 0.858 39.439 39.000 -0.698 0.000 1.306 288 F HN -0.244 nan 8.300 nan 0.000 0.554 289 D N 1.721 122.310 120.400 0.315 0.000 2.316 289 D HA 0.188 4.834 4.640 0.010 0.000 0.245 289 D C 0.193 176.736 176.300 0.404 0.000 1.171 289 D CA 0.102 54.340 54.000 0.395 0.000 0.856 289 D CB 2.187 43.273 40.800 0.476 0.000 1.090 289 D HN -0.044 nan 8.370 nan 0.000 0.476 290 V N 3.916 124.029 119.914 0.332 0.000 2.529 290 V HA -0.011 4.115 4.120 0.010 0.000 0.292 290 V C 0.999 177.071 176.094 -0.036 0.000 1.028 290 V CA -0.183 62.172 62.300 0.091 0.000 1.074 290 V CB 0.184 32.023 31.823 0.027 0.000 0.958 290 V HN 0.334 nan 8.190 nan 0.000 0.481 291 L N 8.288 129.386 121.223 -0.209 0.000 2.436 291 L HA 0.371 4.717 4.340 0.010 0.000 0.265 291 L C -1.648 174.961 176.870 -0.435 0.000 1.168 291 L CA -1.392 53.171 54.840 -0.462 0.000 0.815 291 L CB 0.873 42.687 42.059 -0.408 0.000 1.109 291 L HN 0.486 nan 8.230 nan 0.000 0.462 292 P HA 0.266 nan 4.420 nan 0.000 0.278 292 P C -1.192 175.947 177.300 -0.268 0.000 1.266 292 P CA -0.530 62.327 63.100 -0.404 0.000 0.807 292 P CB 1.048 32.417 31.700 -0.552 0.000 1.094 293 L N 0.565 121.715 121.223 -0.121 0.000 2.322 293 L HA 0.431 4.777 4.340 0.010 0.000 0.279 293 L C 0.392 177.228 176.870 -0.057 0.000 1.036 293 L CA -0.844 53.971 54.840 -0.043 0.000 0.807 293 L CB 0.844 42.947 42.059 0.074 0.000 1.226 293 L HN 0.203 nan 8.230 nan 0.000 0.433 294 L N 4.882 126.059 121.223 -0.077 0.000 2.283 294 L HA 0.452 4.798 4.340 0.010 0.000 0.281 294 L C -0.617 176.145 176.870 -0.179 0.000 1.033 294 L CA -0.240 54.459 54.840 -0.235 0.000 0.848 294 L CB 0.895 42.738 42.059 -0.361 0.000 1.226 294 L HN 0.437 nan 8.230 nan 0.000 0.429 295 L N 3.904 125.073 121.223 -0.090 0.000 2.295 295 L HA 0.501 4.847 4.340 0.010 0.000 0.285 295 L C -0.239 176.561 176.870 -0.117 0.000 1.035 295 L CA -0.378 54.440 54.840 -0.037 0.000 0.806 295 L CB 1.737 43.816 42.059 0.033 0.000 1.214 295 L HN 0.567 nan 8.230 nan 0.000 0.426 296 Q N 2.450 122.206 119.800 -0.073 0.000 2.310 296 Q HA 0.666 5.012 4.340 0.010 0.000 0.270 296 Q C -1.155 174.780 176.000 -0.107 0.000 1.025 296 Q CA -0.529 55.228 55.803 -0.077 0.000 0.772 296 Q CB 2.189 30.963 28.738 0.061 0.000 1.253 296 Q HN 0.794 nan 8.270 nan 0.000 0.450 297 A N 4.810 127.516 122.820 -0.191 0.000 2.279 297 A HA 0.692 5.017 4.320 0.010 0.000 0.303 297 A C -2.449 174.871 177.584 -0.440 0.000 1.108 297 A CA -1.725 50.047 52.037 -0.442 0.000 0.830 297 A CB 0.237 19.076 19.000 -0.269 0.000 1.106 297 A HN 0.627 nan 8.150 nan 0.000 0.493 298 P HA 0.009 nan 4.420 nan 0.000 0.260 298 P C -0.652 176.542 177.300 -0.176 0.000 1.172 298 P CA 0.926 63.807 63.100 -0.365 0.000 0.760 298 P CB 0.086 31.570 31.700 -0.361 0.000 0.773 299 D N 0.385 120.728 120.400 -0.096 0.000 2.911 299 D HA -0.193 4.453 4.640 0.010 0.000 0.227 299 D C -0.236 176.043 176.300 -0.035 0.000 1.164 299 D CA 1.276 55.250 54.000 -0.043 0.000 0.782 299 D CB -0.774 40.005 40.800 -0.034 0.000 1.094 299 D HN 0.576 nan 8.370 nan 0.000 0.425 300 E N -0.606 119.565 120.200 -0.049 0.000 2.288 300 E HA 0.646 5.002 4.350 0.010 0.000 0.268 300 E C -0.089 176.490 176.600 -0.034 0.000 0.885 300 E CA -0.846 55.529 56.400 -0.042 0.000 0.767 300 E CB 1.809 31.470 29.700 -0.064 0.000 1.220 300 E HN 0.143 nan 8.360 nan 0.000 0.427 301 A N 3.138 125.941 122.820 -0.030 0.000 2.466 301 A HA 0.253 4.579 4.320 0.010 0.000 0.238 301 A C -2.016 175.462 177.584 -0.177 0.000 1.074 301 A CA -0.844 51.166 52.037 -0.045 0.000 0.774 301 A CB -0.477 18.518 19.000 -0.008 0.000 1.015 301 A HN 0.345 nan 8.150 nan 0.000 0.498 302 P HA 0.165 nan 4.420 nan 0.000 0.271 302 P C -0.629 176.372 177.300 -0.499 0.000 1.216 302 P CA 0.188 62.901 63.100 -0.645 0.000 0.776 302 P CB 0.726 31.515 31.700 -1.519 0.000 0.881 303 E N 1.102 121.101 120.200 -0.334 0.000 2.214 303 E HA 0.404 4.759 4.350 0.010 0.000 0.274 303 E C -0.694 175.647 176.600 -0.432 0.000 0.977 303 E CA -1.060 55.143 56.400 -0.329 0.000 0.827 303 E CB 1.273 30.855 29.700 -0.196 0.000 1.130 303 E HN 0.299 nan 8.360 nan 0.000 0.394 304 L N 3.189 124.053 121.223 -0.599 0.000 2.289 304 L HA 0.437 4.783 4.340 0.010 0.000 0.285 304 L C -1.600 174.732 176.870 -0.897 0.000 1.049 304 L CA 0.119 54.638 54.840 -0.535 0.000 0.804 304 L CB 0.170 42.040 42.059 -0.315 0.000 1.195 304 L HN 0.396 nan 8.230 nan 0.000 0.428 305 F N 4.180 123.908 119.950 -0.370 0.000 2.557 305 F HA 0.479 5.013 4.527 0.011 0.000 0.316 305 F C -0.351 175.195 175.800 -0.424 0.000 1.141 305 F CA -0.891 56.740 58.000 -0.615 0.000 0.922 305 F CB 1.935 40.215 39.000 -1.200 0.000 1.194 305 F HN 0.019 nan 8.300 nan 0.000 0.443 306 V N 4.856 124.677 119.914 -0.154 0.000 2.383 306 V HA 0.286 4.412 4.120 0.010 0.000 0.275 306 V C 0.175 176.375 176.094 0.176 0.000 1.036 306 V CA -0.720 61.586 62.300 0.011 0.000 0.889 306 V CB 1.254 33.117 31.823 0.068 0.000 0.985 306 V HN 0.546 nan 8.190 nan 0.000 0.459 307 L N 7.629 128.981 121.223 0.215 0.000 2.455 307 L HA 0.250 4.596 4.340 0.010 0.000 0.272 307 L C -2.082 174.899 176.870 0.184 0.000 1.174 307 L CA -1.372 53.633 54.840 0.276 0.000 0.869 307 L CB 0.416 42.557 42.059 0.137 0.000 1.130 307 L HN 0.429 nan 8.230 nan 0.000 0.474 308 P HA 0.074 nan 4.420 nan 0.000 0.267 308 P C -1.999 175.350 177.300 0.082 0.000 1.209 308 P CA -0.957 62.215 63.100 0.120 0.000 0.763 308 P CB 0.472 32.231 31.700 0.099 0.000 0.816 309 P HA -0.263 nan 4.420 nan 0.000 0.216 309 P C 1.436 178.766 177.300 0.050 0.000 1.154 309 P CA 1.464 64.605 63.100 0.068 0.000 0.865 309 P CB -0.193 31.551 31.700 0.072 0.000 0.789 310 E N -0.055 120.171 120.200 0.044 0.000 2.267 310 E HA -0.165 4.191 4.350 0.010 0.000 0.197 310 E C 1.718 178.332 176.600 0.024 0.000 0.998 310 E CA 1.152 57.570 56.400 0.030 0.000 0.830 310 E CB -1.159 28.557 29.700 0.026 0.000 0.751 310 E HN 0.328 nan 8.360 nan 0.000 0.491 311 L N 1.015 122.252 121.223 0.024 0.000 2.446 311 L HA 0.097 4.443 4.340 0.010 0.000 0.219 311 L C 0.660 177.540 176.870 0.017 0.000 1.116 311 L CA 0.090 54.937 54.840 0.012 0.000 0.844 311 L CB 0.427 42.483 42.059 -0.005 0.000 0.970 311 L HN -0.094 nan 8.230 nan 0.000 0.457 312 V N 2.141 122.068 119.914 0.022 0.000 2.288 312 V HA 0.147 4.272 4.120 0.010 0.000 0.266 312 V C 0.076 176.196 176.094 0.043 0.000 1.048 312 V CA -0.548 61.764 62.300 0.020 0.000 0.842 312 V CB 1.195 33.018 31.823 -0.000 0.000 1.064 312 V HN 0.053 nan 8.190 nan 0.000 0.472 313 L N 5.637 126.893 121.223 0.055 0.000 2.410 313 L HA 0.387 4.733 4.340 0.010 0.000 0.273 313 L C 0.238 177.150 176.870 0.069 0.000 1.144 313 L CA 0.867 55.736 54.840 0.048 0.000 0.863 313 L CB 0.199 42.283 42.059 0.042 0.000 1.140 313 L HN 0.657 nan 8.230 nan 0.000 0.463 314 E N 3.347 123.564 120.200 0.029 0.000 2.299 314 E HA 0.608 4.964 4.350 0.010 0.000 0.265 314 E C -1.444 175.100 176.600 -0.094 0.000 0.911 314 E CA -1.048 55.367 56.400 0.024 0.000 0.789 314 E CB 2.481 32.225 29.700 0.075 0.000 1.246 314 E HN 0.344 nan 8.360 nan 0.000 0.427 315 V N 2.710 122.527 119.914 -0.161 0.000 2.407 315 V HA 0.304 4.430 4.120 0.010 0.000 0.291 315 V C -2.452 173.564 176.094 -0.130 0.000 1.018 315 V CA -1.996 60.146 62.300 -0.263 0.000 0.842 315 V CB 1.406 32.814 31.823 -0.691 0.000 0.996 315 V HN 0.521 nan 8.190 nan 0.000 0.426 316 P HA 0.302 nan 4.420 nan 0.000 0.276 316 P C -0.639 176.663 177.300 0.003 0.000 1.230 316 P CA -0.146 62.921 63.100 -0.055 0.000 0.776 316 P CB 0.603 32.281 31.700 -0.038 0.000 0.888 317 L N 3.682 124.944 121.223 0.065 0.000 2.276 317 L HA 0.428 4.774 4.340 0.010 0.000 0.286 317 L C 1.027 178.068 176.870 0.286 0.000 1.061 317 L CA -0.113 54.839 54.840 0.187 0.000 0.807 317 L CB 0.430 42.670 42.059 0.302 0.000 1.177 317 L HN 0.484 nan 8.230 nan 0.000 0.429 318 E N 2.052 122.390 120.200 0.229 0.000 2.393 318 E HA 0.406 4.762 4.350 0.010 0.000 0.273 318 E C -1.306 175.334 176.600 0.066 0.000 0.918 318 E CA -0.949 55.596 56.400 0.242 0.000 0.773 318 E CB 2.228 32.036 29.700 0.180 0.000 1.275 318 E HN 0.469 nan 8.360 nan 0.000 0.451 319 H N 1.554 120.498 119.070 -0.211 0.000 2.479 319 H HA 0.230 4.792 4.556 0.010 0.000 0.335 319 H C -1.733 173.282 175.328 -0.521 0.000 1.142 319 H CA -2.261 53.493 56.048 -0.490 0.000 1.234 319 H CB 1.962 31.328 29.762 -0.660 0.000 1.503 319 H HN 0.432 nan 8.280 nan 0.000 0.510 320 P HA -0.124 nan 4.420 nan 0.000 0.218 320 P C 0.956 178.079 177.300 -0.295 0.000 1.149 320 P CA 1.875 64.433 63.100 -0.903 0.000 0.817 320 P CB 0.444 31.615 31.700 -0.882 0.000 0.785 321 T N -4.169 110.398 114.554 0.022 0.000 2.989 321 T HA 0.191 4.547 4.350 0.010 0.000 0.250 321 T C 0.976 175.625 174.700 -0.085 0.000 0.981 321 T CA -0.213 61.891 62.100 0.007 0.000 0.980 321 T CB -0.712 68.168 68.868 0.020 0.000 1.133 321 T HN -0.071 nan 8.240 nan 0.000 0.489 322 L N 2.984 124.057 121.223 -0.250 0.000 2.462 322 L HA 0.325 4.671 4.340 0.010 0.000 0.283 322 L C 1.286 177.762 176.870 -0.656 0.000 1.166 322 L CA -0.260 54.139 54.840 -0.736 0.000 0.964 322 L CB 0.168 41.363 42.059 -1.439 0.000 1.294 322 L HN 0.299 nan 8.230 nan 0.000 0.449 323 E N 3.083 123.079 120.200 -0.340 0.000 2.171 323 E HA -0.223 4.133 4.350 0.010 0.000 0.197 323 E C 1.585 178.146 176.600 -0.066 0.000 0.997 323 E CA 1.603 57.922 56.400 -0.135 0.000 0.810 323 E CB -0.017 29.677 29.700 -0.011 0.000 0.738 323 E HN 0.832 nan 8.360 nan 0.000 0.467 324 W N -0.039 121.311 121.300 0.083 0.000 2.519 324 W HA -0.023 4.643 4.660 0.010 0.000 0.266 324 W C 1.538 178.118 176.519 0.101 0.000 1.253 324 W CA -0.193 57.194 57.345 0.070 0.000 1.274 324 W CB -0.899 28.580 29.460 0.033 0.000 1.114 324 W HN -0.051 nan 8.180 nan 0.000 0.596 325 F N 3.006 122.775 119.950 -0.302 0.000 2.120 325 F HA -0.180 4.353 4.527 0.010 0.000 0.300 325 F C 2.703 178.544 175.800 0.069 0.000 1.095 325 F CA 3.027 60.962 58.000 -0.109 0.000 1.249 325 F CB -0.522 38.258 39.000 -0.367 0.000 0.995 325 F HN -0.075 nan 8.300 nan 0.000 0.480 326 A N 0.042 123.008 122.820 0.243 0.000 1.978 326 A HA -0.133 4.193 4.320 0.010 0.000 0.220 326 A C 2.304 179.954 177.584 0.110 0.000 1.170 326 A CA 1.606 53.748 52.037 0.176 0.000 0.636 326 A CB -1.433 17.645 19.000 0.130 0.000 0.810 326 A HN 0.455 nan 8.150 nan 0.000 0.448 327 A N -0.974 121.921 122.820 0.125 0.000 2.121 327 A HA 0.085 4.411 4.320 0.010 0.000 0.218 327 A C 1.771 179.393 177.584 0.063 0.000 1.154 327 A CA 1.245 53.342 52.037 0.100 0.000 0.679 327 A CB -0.391 18.688 19.000 0.132 0.000 0.795 327 A HN 0.374 nan 8.150 nan 0.000 0.458 328 L N -0.795 120.441 121.223 0.020 0.000 2.353 328 L HA 0.029 4.375 4.340 0.010 0.000 0.220 328 L C 1.927 178.803 176.870 0.010 0.000 1.133 328 L CA 1.302 56.121 54.840 -0.035 0.000 0.798 328 L CB -1.330 40.593 42.059 -0.227 0.000 0.922 328 L HN 0.678 nan 8.230 nan 0.000 0.445 329 G N -0.713 108.097 108.800 0.016 0.000 2.198 329 G HA2 -0.289 3.677 3.960 0.010 0.000 0.260 329 G HA3 -0.289 3.677 3.960 0.010 0.000 0.260 329 G C 0.377 175.265 174.900 -0.021 0.000 1.025 329 G CA 0.423 45.540 45.100 0.028 0.000 0.769 329 G HN 0.330 nan 8.290 nan 0.000 0.507 330 L N -0.418 120.765 121.223 -0.067 0.000 2.439 330 L HA 0.825 5.170 4.340 0.010 0.000 0.261 330 L C 1.092 177.749 176.870 -0.356 0.000 1.153 330 L CA -0.635 54.086 54.840 -0.199 0.000 0.808 330 L CB 0.986 43.033 42.059 -0.020 0.000 1.126 330 L HN 0.584 nan 8.230 nan 0.000 0.460 331 R N 0.808 120.901 120.500 -0.677 0.000 2.741 331 R HA 0.472 4.818 4.340 0.010 0.000 0.276 331 R C -2.204 174.002 176.300 -0.156 0.000 1.028 331 R CA -1.019 54.848 56.100 -0.388 0.000 0.865 331 R CB 1.615 31.644 30.300 -0.452 0.000 1.268 331 R HN 0.669 nan 8.270 nan 0.000 0.475 332 W N 1.354 122.593 121.300 -0.101 0.000 3.137 332 W HA 0.371 5.037 4.660 0.009 0.000 0.324 332 W C -1.347 175.254 176.519 0.137 0.000 1.253 332 W CA -0.944 56.440 57.345 0.066 0.000 1.183 332 W CB 1.992 31.418 29.460 -0.057 0.000 1.424 332 W HN 0.685 nan 8.180 nan 0.000 0.566 333 Y N 0.949 121.182 120.300 -0.112 0.000 2.307 333 Y HA 0.596 5.152 4.550 0.009 0.000 0.324 333 Y C 0.797 176.947 175.900 0.416 0.000 1.238 333 Y CA -0.034 58.096 58.100 0.051 0.000 1.280 333 Y CB 0.344 38.709 38.460 -0.160 0.000 1.248 333 Y HN 0.351 nan 8.280 nan 0.000 0.508 334 A N 2.187 125.276 122.820 0.448 0.000 1.968 334 A HA 0.023 4.349 4.320 0.010 0.000 0.217 334 A C 0.595 178.527 177.584 0.580 0.000 1.169 334 A CA 0.517 52.875 52.037 0.535 0.000 0.638 334 A CB -0.390 18.766 19.000 0.259 0.000 0.812 334 A HN 0.690 nan 8.150 nan 0.000 0.446 335 L N 1.984 123.499 121.223 0.486 0.000 2.255 335 L HA 0.385 4.731 4.340 0.010 0.000 0.289 335 L C -2.484 174.537 176.870 0.251 0.000 1.046 335 L CA -2.131 52.894 54.840 0.308 0.000 0.816 335 L CB 1.468 43.645 42.059 0.196 0.000 1.197 335 L HN 0.001 nan 8.230 nan 0.000 0.427 336 P HA 0.295 nan 4.420 nan 0.000 0.283 336 P C -1.386 175.827 177.300 -0.145 0.000 1.412 336 P CA -0.317 62.645 63.100 -0.231 0.000 0.912 336 P CB 1.240 32.375 31.700 -0.943 0.000 1.132 337 A N 4.691 127.439 122.820 -0.119 0.000 2.360 337 A HA 0.417 4.743 4.320 0.010 0.000 0.309 337 A C -0.088 177.282 177.584 -0.356 0.000 1.311 337 A CA -0.670 51.221 52.037 -0.244 0.000 0.805 337 A CB 0.708 19.577 19.000 -0.217 0.000 1.144 337 A HN 0.300 nan 8.150 nan 0.000 0.486 338 V N 2.876 122.416 119.914 -0.624 0.000 2.521 338 V HA 0.227 4.353 4.120 0.010 0.000 0.286 338 V C 1.215 176.920 176.094 -0.649 0.000 1.034 338 V CA 1.150 63.056 62.300 -0.657 0.000 1.045 338 V CB 1.014 32.270 31.823 -0.945 0.000 0.974 338 V HN 1.069 nan 8.190 nan 0.000 0.480 339 S N 1.618 117.136 115.700 -0.302 0.000 2.733 339 S HA 0.057 4.533 4.470 0.010 0.000 0.247 339 S C 0.772 175.354 174.600 -0.030 0.000 1.043 339 S CA 0.061 58.164 58.200 -0.161 0.000 1.066 339 S CB -0.407 62.736 63.200 -0.095 0.000 1.045 339 S HN 0.917 nan 8.310 nan 0.000 0.586 340 N N 0.447 119.138 118.700 -0.014 0.000 2.187 340 N HA 0.289 5.035 4.740 0.010 0.000 0.212 340 N C 0.135 175.699 175.510 0.091 0.000 1.152 340 N CA -0.494 52.586 53.050 0.049 0.000 0.872 340 N CB 0.105 38.622 38.487 0.051 0.000 1.025 340 N HN 0.266 nan 8.380 nan 0.000 0.514 341 M N 1.512 121.179 119.600 0.113 0.000 2.342 341 M HA 0.291 4.777 4.480 0.010 0.000 0.332 341 M C -0.496 175.946 176.300 0.237 0.000 1.166 341 M CA -0.731 54.686 55.300 0.196 0.000 1.086 341 M CB 2.350 35.109 32.600 0.265 0.000 1.541 341 M HN 0.149 nan 8.290 nan 0.000 0.462 342 L N 3.392 124.739 121.223 0.206 0.000 2.289 342 L HA 0.507 4.853 4.340 0.010 0.000 0.285 342 L C -1.309 175.674 176.870 0.188 0.000 1.049 342 L CA -0.927 54.021 54.840 0.179 0.000 0.804 342 L CB 1.060 43.176 42.059 0.096 0.000 1.195 342 L HN 0.594 nan 8.230 nan 0.000 0.428 343 L N 5.393 126.724 121.223 0.179 0.000 2.265 343 L HA 0.437 4.783 4.340 0.010 0.000 0.289 343 L C -0.432 176.451 176.870 0.023 0.000 1.033 343 L CA 0.259 55.093 54.840 -0.010 0.000 0.814 343 L CB 1.072 43.117 42.059 -0.023 0.000 1.203 343 L HN 0.648 nan 8.230 nan 0.000 0.423 344 E N 6.542 126.676 120.200 -0.110 0.000 2.151 344 E HA 0.406 4.762 4.350 0.010 0.000 0.275 344 E C -1.562 174.949 176.600 -0.149 0.000 0.936 344 E CA -0.448 55.898 56.400 -0.090 0.000 0.777 344 E CB 1.166 30.813 29.700 -0.089 0.000 1.108 344 E HN 0.725 nan 8.360 nan 0.000 0.401 345 I N 2.695 123.175 120.570 -0.150 0.000 2.500 345 I HA 0.252 4.428 4.170 0.010 0.000 0.286 345 I C 0.734 176.625 176.117 -0.377 0.000 1.063 345 I CA -0.678 60.412 61.300 -0.351 0.000 1.062 345 I CB 1.976 39.720 38.000 -0.427 0.000 1.223 345 I HN 0.797 nan 8.210 nan 0.000 0.435 346 G N 4.220 112.856 108.800 -0.273 0.000 2.341 346 G HA2 -0.123 3.843 3.960 0.010 0.000 0.292 346 G HA3 -0.123 3.843 3.960 0.010 0.000 0.292 346 G C 1.047 176.014 174.900 0.112 0.000 1.021 346 G CA 0.835 45.965 45.100 0.050 0.000 0.905 346 G HN 1.545 nan 8.290 nan 0.000 0.508 347 G N -1.911 106.895 108.800 0.010 0.000 2.253 347 G HA2 -0.254 3.712 3.960 0.010 0.000 0.251 347 G HA3 -0.254 3.712 3.960 0.010 0.000 0.251 347 G C 0.567 175.403 174.900 -0.107 0.000 0.998 347 G CA 0.467 45.567 45.100 0.001 0.000 0.621 347 G HN 1.311 nan 8.290 nan 0.000 0.524 348 L N 1.033 122.124 121.223 -0.219 0.000 2.397 348 L HA 0.515 4.861 4.340 0.010 0.000 0.271 348 L C 0.341 176.960 176.870 -0.418 0.000 1.148 348 L CA -0.166 54.417 54.840 -0.428 0.000 0.825 348 L CB 0.903 42.583 42.059 -0.633 0.000 1.117 348 L HN 0.202 nan 8.230 nan 0.000 0.456 349 E N 2.989 122.897 120.200 -0.487 0.000 2.155 349 E HA 0.313 4.668 4.350 0.010 0.000 0.264 349 E C -1.390 174.942 176.600 -0.446 0.000 0.886 349 E CA -0.394 55.805 56.400 -0.336 0.000 0.752 349 E CB 1.357 30.950 29.700 -0.178 0.000 1.133 349 E HN 0.283 nan 8.360 nan 0.000 0.414 350 F N 2.252 122.162 119.950 -0.066 0.000 2.309 350 F HA 0.070 4.604 4.527 0.011 0.000 0.366 350 F C 1.698 177.526 175.800 0.046 0.000 1.104 350 F CA -0.419 57.568 58.000 -0.021 0.000 1.179 350 F CB 0.789 39.759 39.000 -0.050 0.000 1.437 350 F HN 0.429 nan 8.300 nan 0.000 0.528 351 S N 1.427 117.225 115.700 0.163 0.000 2.442 351 S HA 0.019 4.494 4.470 0.010 0.000 0.236 351 S C 0.916 175.644 174.600 0.214 0.000 1.007 351 S CA 0.533 58.828 58.200 0.158 0.000 0.965 351 S CB -0.065 63.209 63.200 0.124 0.000 0.773 351 S HN 0.480 nan 8.310 nan 0.000 0.504 352 A N 0.388 123.381 122.820 0.289 0.000 2.409 352 A HA 0.828 5.154 4.320 0.010 0.000 0.300 352 A C -0.143 177.679 177.584 0.397 0.000 1.273 352 A CA -0.175 52.065 52.037 0.339 0.000 0.774 352 A CB 0.929 20.139 19.000 0.349 0.000 1.144 352 A HN 1.029 nan 8.150 nan 0.000 0.472 353 A N 4.188 127.186 122.820 0.296 0.000 3.422 353 A HA 0.617 4.943 4.320 0.010 0.000 0.271 353 A C -2.944 174.767 177.584 0.212 0.000 1.104 353 A CA -0.955 51.207 52.037 0.208 0.000 0.899 353 A CB 0.340 19.459 19.000 0.199 0.000 1.309 353 A HN 0.523 nan 8.150 nan 0.000 0.580 354 P HA 0.346 nan 4.420 nan 0.000 0.265 354 P C -0.734 176.565 177.300 -0.002 0.000 1.193 354 P CA 0.563 63.618 63.100 -0.074 0.000 0.765 354 P CB 0.191 31.820 31.700 -0.118 0.000 0.823 355 F N 0.125 120.026 119.950 -0.081 0.000 2.588 355 F HA 0.797 5.329 4.527 0.009 0.000 0.314 355 F C -0.637 175.084 175.800 -0.131 0.000 1.069 355 F CA -1.288 56.664 58.000 -0.079 0.000 0.931 355 F CB 1.638 40.474 39.000 -0.274 0.000 1.260 355 F HN 0.428 nan 8.300 nan 0.000 0.465 356 S N 0.198 116.001 115.700 0.172 0.000 2.550 356 S HA 0.929 5.405 4.470 0.010 0.000 0.270 356 S C -0.804 173.767 174.600 -0.047 0.000 1.145 356 S CA -0.171 58.057 58.200 0.046 0.000 0.852 356 S CB 1.421 64.696 63.200 0.125 0.000 1.119 356 S HN 1.513 nan 8.310 nan 0.000 0.465 357 G N 0.002 108.725 108.800 -0.128 0.000 3.366 357 G HA2 0.747 4.713 3.960 0.010 0.000 0.179 357 G HA3 0.747 4.713 3.960 0.010 0.000 0.179 357 G C -1.440 173.463 174.900 0.005 0.000 1.143 357 G CA -0.309 44.651 45.100 -0.234 0.000 0.810 357 G HN 1.120 nan 8.290 nan 0.000 0.697 358 W N -1.608 119.699 121.300 0.012 0.000 3.032 358 W HA 0.827 5.491 4.660 0.008 0.000 0.341 358 W C -1.651 174.870 176.519 0.004 0.000 1.202 358 W CA -2.053 55.313 57.345 0.035 0.000 1.132 358 W CB 0.480 30.004 29.460 0.106 0.000 1.465 358 W HN 0.377 nan 8.180 nan 0.000 0.576 359 Y N 2.259 122.758 120.300 0.331 0.000 2.301 359 Y HA 0.359 4.916 4.550 0.010 0.000 0.328 359 Y C 0.690 176.658 175.900 0.113 0.000 1.242 359 Y CA -0.948 57.224 58.100 0.120 0.000 1.323 359 Y CB 1.367 39.797 38.460 -0.049 0.000 1.266 359 Y HN 0.415 nan 8.280 nan 0.000 0.527 360 M N 1.982 121.743 119.600 0.269 0.000 2.205 360 M HA 0.210 4.696 4.480 0.010 0.000 0.344 360 M C 0.975 177.276 176.300 0.001 0.000 1.085 360 M CA -0.313 55.068 55.300 0.136 0.000 1.001 360 M CB 1.162 33.820 32.600 0.097 0.000 1.626 360 M HN 0.835 nan 8.290 nan 0.000 0.442 361 S N 1.367 117.024 115.700 -0.071 0.000 2.413 361 S HA -0.216 4.260 4.470 0.010 0.000 0.237 361 S C 1.478 175.937 174.600 -0.236 0.000 1.044 361 S CA 2.274 60.352 58.200 -0.203 0.000 1.024 361 S CB -1.414 61.711 63.200 -0.125 0.000 0.829 361 S HN 0.927 nan 8.310 nan 0.000 0.475 362 T N -0.161 114.286 114.554 -0.179 0.000 2.962 362 T HA 0.006 4.362 4.350 0.010 0.000 0.270 362 T C 1.559 176.105 174.700 -0.256 0.000 1.088 362 T CA 1.132 63.083 62.100 -0.249 0.000 1.127 362 T CB -0.533 68.158 68.868 -0.295 0.000 0.883 362 T HN 0.595 nan 8.240 nan 0.000 0.493 363 E N 0.887 120.955 120.200 -0.219 0.000 2.077 363 E HA -0.047 4.309 4.350 0.010 0.000 0.193 363 E C 2.054 178.386 176.600 -0.447 0.000 0.989 363 E CA 1.407 57.681 56.400 -0.210 0.000 0.800 363 E CB -0.261 29.445 29.700 0.011 0.000 0.746 363 E HN 0.590 nan 8.360 nan 0.000 0.452 364 I N 0.161 120.325 120.570 -0.676 0.000 2.260 364 I HA -0.070 4.105 4.170 0.010 0.000 0.237 364 I C 2.619 178.368 176.117 -0.614 0.000 1.075 364 I CA 0.954 61.677 61.300 -0.962 0.000 1.376 364 I CB -0.632 36.708 38.000 -1.100 0.000 1.107 364 I HN 0.119 nan 8.210 nan 0.000 0.420 365 G N 0.179 108.728 108.800 -0.419 0.000 2.422 365 G HA2 -0.183 3.783 3.960 0.010 0.000 0.218 365 G HA3 -0.183 3.783 3.960 0.010 0.000 0.218 365 G C 1.617 176.398 174.900 -0.200 0.000 1.146 365 G CA 1.580 46.529 45.100 -0.250 0.000 0.769 365 G HN 0.311 nan 8.290 nan 0.000 0.547 366 T N -0.127 114.287 114.554 -0.233 0.000 2.980 366 T HA 0.102 4.458 4.350 0.010 0.000 0.239 366 T C 2.536 177.124 174.700 -0.187 0.000 1.011 366 T CA 0.271 62.256 62.100 -0.192 0.000 1.171 366 T CB 0.077 68.814 68.868 -0.218 0.000 0.873 366 T HN 0.014 nan 8.240 nan 0.000 0.431 367 R N 2.109 122.478 120.500 -0.218 0.000 2.056 367 R HA 0.139 4.485 4.340 0.010 0.000 0.227 367 R C 2.190 178.372 176.300 -0.196 0.000 1.149 367 R CA 1.117 57.100 56.100 -0.195 0.000 0.937 367 R CB -1.267 28.925 30.300 -0.180 0.000 0.835 367 R HN 0.320 nan 8.270 nan 0.000 0.430 368 N N 1.008 119.543 118.700 -0.275 0.000 2.120 368 N HA -0.096 4.650 4.740 0.010 0.000 0.188 368 N C 1.966 177.407 175.510 -0.116 0.000 1.024 368 N CA 1.105 53.996 53.050 -0.264 0.000 0.852 368 N CB -0.240 37.770 38.487 -0.796 0.000 1.003 368 N HN 0.198 nan 8.380 nan 0.000 0.424 369 L N -0.795 120.307 121.223 -0.202 0.000 2.249 369 L HA 0.070 4.416 4.340 0.010 0.000 0.207 369 L C 1.436 178.332 176.870 0.044 0.000 1.090 369 L CA 0.467 55.286 54.840 -0.034 0.000 0.802 369 L CB 0.122 42.132 42.059 -0.081 0.000 0.947 369 L HN 0.163 nan 8.230 nan 0.000 0.453 370 C N -1.577 117.707 119.300 -0.027 0.000 3.065 370 C HA 0.168 4.634 4.460 0.010 0.000 0.285 370 C C 0.760 175.728 174.990 -0.036 0.000 1.257 370 C CA -0.938 58.075 59.018 -0.009 0.000 1.691 370 C CB -0.327 27.396 27.740 -0.029 0.000 2.089 370 C HN 0.301 nan 8.230 nan 0.000 0.630 371 D N 2.334 122.676 120.400 -0.096 0.000 2.472 371 D HA 0.061 4.707 4.640 0.010 0.000 0.237 371 D C -1.400 174.843 176.300 -0.095 0.000 1.141 371 D CA -1.036 52.870 54.000 -0.156 0.000 0.875 371 D CB 0.610 41.160 40.800 -0.417 0.000 1.192 371 D HN 0.122 nan 8.370 nan 0.000 0.450 372 P HA -0.136 nan 4.420 nan 0.000 0.216 372 P C 0.785 178.149 177.300 0.106 0.000 1.150 372 P CA 1.318 64.475 63.100 0.095 0.000 0.837 372 P CB -0.022 31.768 31.700 0.149 0.000 0.786 373 H N -2.546 116.533 119.070 0.016 0.000 2.524 373 H HA 0.327 4.889 4.556 0.010 0.000 0.280 373 H C 0.887 176.224 175.328 0.014 0.000 1.018 373 H CA 0.037 56.092 56.048 0.011 0.000 1.165 373 H CB -0.075 29.694 29.762 0.011 0.000 1.411 373 H HN -0.008 nan 8.280 nan 0.000 0.569 374 R N -0.185 120.208 120.500 -0.177 0.000 3.066 374 R HA 0.172 4.518 4.340 0.010 0.000 0.143 374 R C 1.085 177.354 176.300 -0.053 0.000 1.187 374 R CA -0.767 55.273 56.100 -0.099 0.000 0.722 374 R CB -0.845 29.409 30.300 -0.077 0.000 1.366 374 R HN 0.082 nan 8.270 nan 0.000 0.421 375 Y N 1.722 122.033 120.300 0.019 0.000 2.483 375 Y HA -0.066 4.490 4.550 0.010 0.000 0.291 375 Y C 0.794 176.715 175.900 0.035 0.000 1.143 375 Y CA 1.338 59.466 58.100 0.047 0.000 1.289 375 Y CB -0.429 38.099 38.460 0.115 0.000 0.983 375 Y HN 0.565 nan 8.280 nan 0.000 0.556 376 N N 0.905 119.682 118.700 0.128 0.000 2.699 376 N HA -0.233 4.513 4.740 0.010 0.000 0.256 376 N C 0.596 176.182 175.510 0.126 0.000 0.993 376 N CA 0.320 53.426 53.050 0.095 0.000 0.759 376 N CB -0.983 37.543 38.487 0.065 0.000 0.906 376 N HN 0.632 nan 8.380 nan 0.000 0.541 377 I N -3.136 117.525 120.570 0.151 0.000 3.793 377 I HA -0.001 4.175 4.170 0.010 0.000 0.315 377 I C 1.663 177.876 176.117 0.160 0.000 1.275 377 I CA -0.375 61.016 61.300 0.151 0.000 1.214 377 I CB -0.021 38.075 38.000 0.160 0.000 1.018 377 I HN 0.106 nan 8.210 nan 0.000 0.439 378 L N 1.907 123.232 121.223 0.170 0.000 1.990 378 L HA -0.253 4.093 4.340 0.010 0.000 0.213 378 L C 2.628 179.707 176.870 0.349 0.000 1.072 378 L CA 2.279 57.257 54.840 0.230 0.000 0.755 378 L CB -1.043 41.119 42.059 0.172 0.000 0.889 378 L HN 0.520 nan 8.230 nan 0.000 0.432 379 E N -1.051 119.353 120.200 0.340 0.000 2.077 379 E HA -0.235 4.121 4.350 0.010 0.000 0.193 379 E C 1.756 178.394 176.600 0.063 0.000 0.989 379 E CA 1.402 57.923 56.400 0.203 0.000 0.800 379 E CB 0.023 29.785 29.700 0.104 0.000 0.746 379 E HN 0.501 nan 8.360 nan 0.000 0.452 380 D N 0.064 120.505 120.400 0.068 0.000 2.104 380 D HA -0.160 4.486 4.640 0.010 0.000 0.194 380 D C 2.093 178.396 176.300 0.005 0.000 0.994 380 D CA 1.248 55.255 54.000 0.013 0.000 0.830 380 D CB -0.296 40.519 40.800 0.026 0.000 0.959 380 D HN 0.137 nan 8.370 nan 0.000 0.452 381 V N 1.553 121.525 119.914 0.097 0.000 2.343 381 V HA -0.219 3.906 4.120 0.010 0.000 0.247 381 V C 2.561 178.740 176.094 0.142 0.000 1.051 381 V CA 1.714 64.118 62.300 0.174 0.000 1.036 381 V CB -0.766 31.250 31.823 0.322 0.000 0.654 381 V HN 0.178 nan 8.190 nan 0.000 0.451 382 A N -0.207 122.711 122.820 0.163 0.000 1.908 382 A HA -0.174 4.152 4.320 0.010 0.000 0.218 382 A C 2.395 179.958 177.584 -0.035 0.000 1.181 382 A CA 2.113 54.234 52.037 0.141 0.000 0.627 382 A CB -0.716 18.437 19.000 0.256 0.000 0.818 382 A HN 0.337 nan 8.150 nan 0.000 0.445 383 V N -0.887 118.959 119.914 -0.112 0.000 2.407 383 V HA -0.325 3.800 4.120 0.010 0.000 0.248 383 V C 2.613 178.562 176.094 -0.242 0.000 1.055 383 V CA 2.052 64.245 62.300 -0.179 0.000 1.049 383 V CB -1.024 30.696 31.823 -0.172 0.000 0.662 383 V HN 0.720 nan 8.190 nan 0.000 0.455 384 C N -0.552 118.547 119.300 -0.335 0.000 2.435 384 C HA -0.100 4.366 4.460 0.010 0.000 0.279 384 C C 2.565 177.160 174.990 -0.657 0.000 1.321 384 C CA 0.928 59.509 59.018 -0.729 0.000 1.752 384 C CB -0.957 26.032 27.740 -1.250 0.000 1.959 384 C HN 0.532 nan 8.230 nan 0.000 0.500 385 M N -0.052 119.413 119.600 -0.224 0.000 2.561 385 M HA 0.056 4.542 4.480 0.010 0.000 0.238 385 M C 0.442 176.731 176.300 -0.018 0.000 1.131 385 M CA 0.704 56.022 55.300 0.029 0.000 1.046 385 M CB -0.370 32.344 32.600 0.189 0.000 1.532 385 M HN 0.218 nan 8.290 nan 0.000 0.497 386 D N 1.504 121.844 120.400 -0.101 0.000 2.699 386 D HA -0.153 4.493 4.640 0.010 0.000 0.239 386 D C -0.948 175.324 176.300 -0.048 0.000 1.136 386 D CA 0.491 54.438 54.000 -0.088 0.000 0.668 386 D CB -0.803 39.953 40.800 -0.074 0.000 1.060 386 D HN 0.313 nan 8.370 nan 0.000 0.429 387 L N -0.309 120.890 121.223 -0.041 0.000 2.416 387 L HA 0.426 4.772 4.340 0.010 0.000 0.262 387 L C 0.882 177.694 176.870 -0.097 0.000 1.093 387 L CA -0.908 53.928 54.840 -0.005 0.000 0.801 387 L CB 0.689 42.809 42.059 0.100 0.000 1.191 387 L HN -0.012 nan 8.230 nan 0.000 0.459 388 D N 0.270 120.632 120.400 -0.063 0.000 2.422 388 D HA 0.036 4.682 4.640 0.010 0.000 0.227 388 D C 0.962 177.063 176.300 -0.333 0.000 1.190 388 D CA -0.231 53.689 54.000 -0.133 0.000 0.905 388 D CB 0.841 41.622 40.800 -0.032 0.000 1.034 388 D HN 0.593 nan 8.370 nan 0.000 0.507 389 T N 0.736 114.893 114.554 -0.661 0.000 3.194 389 T HA 0.070 4.425 4.350 0.010 0.000 0.251 389 T C 1.308 175.655 174.700 -0.589 0.000 1.132 389 T CA 0.075 61.346 62.100 -1.381 0.000 1.028 389 T CB -0.055 67.929 68.868 -1.473 0.000 0.976 389 T HN 0.279 nan 8.240 nan 0.000 0.535 390 R N 0.399 120.743 120.500 -0.260 0.000 2.300 390 R HA 0.253 4.598 4.340 0.010 0.000 0.199 390 R C 0.624 176.943 176.300 0.031 0.000 0.920 390 R CA 0.198 56.247 56.100 -0.086 0.000 1.046 390 R CB 0.349 30.604 30.300 -0.074 0.000 0.984 390 R HN 0.316 nan 8.270 nan 0.000 0.493 391 T N -0.834 113.781 114.554 0.103 0.000 2.933 391 T HA 0.117 4.473 4.350 0.010 0.000 0.305 391 T C 1.060 175.937 174.700 0.294 0.000 1.092 391 T CA -0.608 61.589 62.100 0.161 0.000 1.008 391 T CB 1.771 70.698 68.868 0.099 0.000 1.102 391 T HN 0.182 nan 8.240 nan 0.000 0.469 392 T N 0.756 115.435 114.554 0.209 0.000 2.857 392 T HA -0.074 4.282 4.350 0.010 0.000 0.266 392 T C 2.159 176.915 174.700 0.095 0.000 1.048 392 T CA 1.555 63.742 62.100 0.144 0.000 1.139 392 T CB -0.693 68.211 68.868 0.060 0.000 0.874 392 T HN 0.699 nan 8.240 nan 0.000 0.455 393 S N 2.264 118.017 115.700 0.088 0.000 2.537 393 S HA -0.089 4.386 4.470 0.010 0.000 0.240 393 S C 2.097 176.745 174.600 0.081 0.000 0.981 393 S CA 0.932 59.170 58.200 0.063 0.000 0.948 393 S CB -0.974 62.257 63.200 0.051 0.000 0.759 393 S HN 0.770 nan 8.310 nan 0.000 0.531 394 S N 1.604 117.388 115.700 0.141 0.000 2.527 394 S HA 0.228 4.704 4.470 0.010 0.000 0.222 394 S C 0.956 175.643 174.600 0.146 0.000 0.985 394 S CA 0.206 58.499 58.200 0.155 0.000 0.921 394 S CB -0.967 62.362 63.200 0.215 0.000 0.772 394 S HN 0.649 nan 8.310 nan 0.000 0.529 395 L N 1.051 122.329 121.223 0.091 0.000 3.717 395 L HA -0.170 4.176 4.340 0.010 0.000 0.414 395 L C 1.573 178.463 176.870 0.033 0.000 1.228 395 L CA 0.654 55.489 54.840 -0.009 0.000 0.918 395 L CB -2.462 39.599 42.059 0.003 0.000 1.865 395 L HN 0.732 nan 8.230 nan 0.000 0.922 396 W N -0.168 121.144 121.300 0.020 0.000 2.402 396 W HA -0.118 4.548 4.660 0.010 0.000 0.286 396 W C 1.736 178.273 176.519 0.030 0.000 1.221 396 W CA 1.187 58.547 57.345 0.025 0.000 1.257 396 W CB -0.651 28.820 29.460 0.019 0.000 1.120 396 W HN 0.271 nan 8.180 nan 0.000 0.551 397 K N 1.084 121.097 120.400 -0.645 0.000 2.057 397 K HA -0.154 4.172 4.320 0.010 0.000 0.206 397 K C 1.550 178.020 176.600 -0.218 0.000 1.050 397 K CA 2.333 58.256 56.287 -0.606 0.000 0.935 397 K CB -0.315 31.647 32.500 -0.896 0.000 0.715 397 K HN 0.020 nan 8.250 nan 0.000 0.439 398 D N 0.598 120.889 120.400 -0.181 0.000 2.117 398 D HA -0.131 4.515 4.640 0.010 0.000 0.197 398 D C 1.656 177.950 176.300 -0.009 0.000 0.987 398 D CA 1.235 55.184 54.000 -0.085 0.000 0.829 398 D CB 0.045 40.803 40.800 -0.070 0.000 0.961 398 D HN 0.102 nan 8.370 nan 0.000 0.460 399 K N 0.424 120.846 120.400 0.036 0.000 2.026 399 K HA -0.038 4.288 4.320 0.010 0.000 0.208 399 K C 2.199 178.868 176.600 0.114 0.000 1.048 399 K CA 1.187 57.525 56.287 0.085 0.000 0.929 399 K CB -0.159 32.413 32.500 0.120 0.000 0.713 399 K HN 0.090 nan 8.250 nan 0.000 0.439 400 A N 1.394 124.303 122.820 0.149 0.000 1.930 400 A HA -0.075 4.251 4.320 0.010 0.000 0.217 400 A C 2.351 180.021 177.584 0.144 0.000 1.175 400 A CA 1.702 53.855 52.037 0.194 0.000 0.627 400 A CB -0.630 18.524 19.000 0.258 0.000 0.815 400 A HN 0.332 nan 8.150 nan 0.000 0.443 401 A N -0.470 122.392 122.820 0.070 0.000 1.902 401 A HA -0.015 4.311 4.320 0.010 0.000 0.217 401 A C 2.224 179.820 177.584 0.021 0.000 1.181 401 A CA 1.799 53.850 52.037 0.024 0.000 0.623 401 A CB -0.919 18.056 19.000 -0.041 0.000 0.818 401 A HN 0.371 nan 8.150 nan 0.000 0.443 402 V N 0.341 120.274 119.914 0.032 0.000 2.295 402 V HA -0.217 3.909 4.120 0.010 0.000 0.246 402 V C 2.555 178.679 176.094 0.050 0.000 1.049 402 V CA 2.177 64.499 62.300 0.038 0.000 1.024 402 V CB -0.706 31.147 31.823 0.051 0.000 0.648 402 V HN 0.517 nan 8.190 nan 0.000 0.447 403 E N -0.121 120.135 120.200 0.093 0.000 2.150 403 E HA -0.120 4.236 4.350 0.010 0.000 0.193 403 E C 2.095 178.716 176.600 0.034 0.000 0.985 403 E CA 1.130 57.607 56.400 0.128 0.000 0.814 403 E CB -0.299 29.498 29.700 0.161 0.000 0.752 403 E HN 0.595 nan 8.360 nan 0.000 0.466 404 I N 1.418 122.036 120.570 0.080 0.000 2.252 404 I HA -0.233 3.943 4.170 0.010 0.000 0.245 404 I C 2.100 178.192 176.117 -0.041 0.000 1.102 404 I CA 0.762 62.110 61.300 0.080 0.000 1.385 404 I CB -0.268 37.844 38.000 0.187 0.000 1.064 404 I HN 0.068 nan 8.210 nan 0.000 0.414 405 N N 0.737 119.409 118.700 -0.046 0.000 2.142 405 N HA -0.157 4.589 4.740 0.010 0.000 0.186 405 N C 1.928 177.388 175.510 -0.083 0.000 1.023 405 N CA 1.133 54.138 53.050 -0.075 0.000 0.852 405 N CB -0.131 38.322 38.487 -0.057 0.000 0.998 405 N HN 0.202 nan 8.380 nan 0.000 0.424 406 L N 1.607 122.771 121.223 -0.098 0.000 2.083 406 L HA -0.046 4.300 4.340 0.010 0.000 0.209 406 L C 2.246 178.970 176.870 -0.242 0.000 1.083 406 L CA 1.377 56.121 54.840 -0.161 0.000 0.752 406 L CB -0.754 41.175 42.059 -0.217 0.000 0.899 406 L HN 0.051 nan 8.230 nan 0.000 0.433 407 A N -1.139 121.475 122.820 -0.343 0.000 1.877 407 A HA -0.159 4.166 4.320 0.010 0.000 0.216 407 A C 2.270 179.792 177.584 -0.105 0.000 1.186 407 A CA 2.050 53.855 52.037 -0.387 0.000 0.620 407 A CB -1.135 17.364 19.000 -0.835 0.000 0.822 407 A HN 0.293 nan 8.150 nan 0.000 0.443 408 V N 0.121 119.990 119.914 -0.075 0.000 2.255 408 V HA -0.293 3.833 4.120 0.010 0.000 0.247 408 V C 2.607 178.724 176.094 0.039 0.000 1.051 408 V CA 2.135 64.437 62.300 0.004 0.000 1.018 408 V CB -0.830 30.909 31.823 -0.140 0.000 0.641 408 V HN 0.579 nan 8.190 nan 0.000 0.445 409 L N -0.628 120.575 121.223 -0.034 0.000 1.989 409 L HA -0.250 4.095 4.340 0.010 0.000 0.211 409 L C 2.622 179.525 176.870 0.055 0.000 1.071 409 L CA 2.300 57.137 54.840 -0.005 0.000 0.749 409 L CB -0.891 41.157 42.059 -0.017 0.000 0.890 409 L HN 0.490 nan 8.230 nan 0.000 0.431 410 H N -0.165 118.863 119.070 -0.070 0.000 2.289 410 H HA -0.175 4.388 4.556 0.010 0.000 0.296 410 H C 2.366 177.684 175.328 -0.017 0.000 1.091 410 H CA 2.152 58.151 56.048 -0.082 0.000 1.274 410 H CB -0.110 29.538 29.762 -0.190 0.000 1.364 410 H HN 0.161 nan 8.280 nan 0.000 0.490 411 S N -0.431 115.213 115.700 -0.092 0.000 2.356 411 S HA -0.145 4.331 4.470 0.010 0.000 0.223 411 S C 2.075 176.641 174.600 -0.057 0.000 1.032 411 S CA 1.382 59.516 58.200 -0.110 0.000 1.005 411 S CB -0.588 62.644 63.200 0.054 0.000 0.867 411 S HN 0.395 nan 8.310 nan 0.000 0.449 412 F N 1.870 121.761 119.950 -0.099 0.000 2.171 412 F HA -0.144 4.389 4.527 0.009 0.000 0.300 412 F C 2.789 178.538 175.800 -0.086 0.000 1.090 412 F CA 1.142 59.108 58.000 -0.057 0.000 1.293 412 F CB -0.286 38.705 39.000 -0.014 0.000 1.013 412 F HN 0.220 nan 8.300 nan 0.000 0.486 413 Q N 0.027 119.864 119.800 0.063 0.000 2.079 413 Q HA -0.207 4.138 4.340 0.010 0.000 0.200 413 Q C 2.356 178.298 176.000 -0.097 0.000 0.974 413 Q CA 1.356 57.146 55.803 -0.022 0.000 0.840 413 Q CB -0.341 28.375 28.738 -0.036 0.000 0.898 413 Q HN 0.481 nan 8.270 nan 0.000 0.430 414 L N 0.189 121.292 121.223 -0.199 0.000 2.012 414 L HA -0.165 4.181 4.340 0.010 0.000 0.210 414 L C 2.015 178.799 176.870 -0.143 0.000 1.073 414 L CA 1.231 55.941 54.840 -0.218 0.000 0.748 414 L CB -0.286 41.559 42.059 -0.356 0.000 0.891 414 L HN 0.202 nan 8.230 nan 0.000 0.431 415 A N -0.968 121.763 122.820 -0.148 0.000 2.235 415 A HA -0.087 4.239 4.320 0.010 0.000 0.208 415 A C 1.000 178.522 177.584 -0.102 0.000 1.172 415 A CA 0.293 52.248 52.037 -0.138 0.000 0.786 415 A CB -0.316 18.559 19.000 -0.207 0.000 0.804 415 A HN 0.511 nan 8.150 nan 0.000 0.479 416 K N -1.148 119.206 120.400 -0.077 0.000 3.150 416 K HA -0.130 4.196 4.320 0.010 0.000 0.267 416 K C -0.849 175.730 176.600 -0.036 0.000 1.028 416 K CA 0.665 56.921 56.287 -0.051 0.000 0.753 416 K CB -1.999 30.470 32.500 -0.052 0.000 1.288 416 K HN 0.258 nan 8.250 nan 0.000 0.473 417 V N 1.120 121.029 119.914 -0.008 0.000 2.417 417 V HA 0.151 4.277 4.120 0.010 0.000 0.291 417 V C 0.742 176.937 176.094 0.167 0.000 1.024 417 V CA -0.745 61.588 62.300 0.055 0.000 0.861 417 V CB 1.958 33.761 31.823 -0.034 0.000 0.985 417 V HN 0.249 nan 8.190 nan 0.000 0.436 418 T N 6.427 121.033 114.554 0.086 0.000 2.908 418 T HA 0.401 4.757 4.350 0.010 0.000 0.301 418 T C -0.231 174.526 174.700 0.095 0.000 1.019 418 T CA 0.881 62.954 62.100 -0.044 0.000 1.152 418 T CB 0.071 68.776 68.868 -0.272 0.000 0.966 418 T HN 0.591 nan 8.240 nan 0.000 0.540 419 I N 2.149 122.710 120.570 -0.015 0.000 2.947 419 I HA 0.592 4.768 4.170 0.010 0.000 0.301 419 I C -1.724 174.414 176.117 0.036 0.000 1.453 419 I CA -0.955 60.380 61.300 0.059 0.000 0.984 419 I CB 1.903 39.862 38.000 -0.069 0.000 1.333 419 I HN 0.451 nan 8.210 nan 0.000 0.475 420 V N 4.988 124.985 119.914 0.138 0.000 2.638 420 V HA 0.462 4.588 4.120 0.010 0.000 0.306 420 V C -1.123 175.024 176.094 0.089 0.000 1.052 420 V CA -0.281 62.099 62.300 0.134 0.000 0.885 420 V CB 2.169 34.157 31.823 0.275 0.000 0.999 420 V HN 0.875 nan 8.190 nan 0.000 0.424 421 D N 4.163 124.592 120.400 0.048 0.000 2.358 421 D HA 0.154 4.800 4.640 0.010 0.000 0.244 421 D C 1.310 177.609 176.300 -0.002 0.000 1.163 421 D CA 0.215 54.229 54.000 0.023 0.000 0.945 421 D CB 0.445 41.227 40.800 -0.030 0.000 1.152 421 D HN 0.734 nan 8.370 nan 0.000 0.451 422 H N -0.072 118.923 119.070 -0.126 0.000 2.456 422 H HA -0.148 4.414 4.556 0.010 0.000 0.296 422 H C 1.009 176.224 175.328 -0.188 0.000 1.079 422 H CA 1.368 57.304 56.048 -0.187 0.000 1.322 422 H CB -0.599 28.993 29.762 -0.283 0.000 1.388 422 H HN 0.524 nan 8.280 nan 0.000 0.538 423 H N 1.222 120.102 119.070 -0.317 0.000 2.307 423 H HA 0.143 4.705 4.556 0.010 0.000 0.303 423 H C 2.568 177.875 175.328 -0.036 0.000 1.073 423 H CA 1.321 57.272 56.048 -0.161 0.000 1.338 423 H CB -0.401 29.232 29.762 -0.215 0.000 1.389 423 H HN 0.490 nan 8.280 nan 0.000 0.503 424 A N 1.499 124.374 122.820 0.092 0.000 1.908 424 A HA -0.134 4.192 4.320 0.010 0.000 0.218 424 A C 2.695 180.349 177.584 0.117 0.000 1.181 424 A CA 1.938 54.031 52.037 0.093 0.000 0.627 424 A CB -0.857 18.188 19.000 0.076 0.000 0.818 424 A HN 0.448 nan 8.150 nan 0.000 0.445 425 A N -0.264 122.625 122.820 0.114 0.000 1.877 425 A HA -0.108 4.218 4.320 0.010 0.000 0.216 425 A C 2.465 180.146 177.584 0.161 0.000 1.186 425 A CA 2.622 54.745 52.037 0.145 0.000 0.620 425 A CB -1.464 17.609 19.000 0.123 0.000 0.822 425 A HN 0.778 nan 8.150 nan 0.000 0.443 426 T N -2.520 112.111 114.554 0.128 0.000 2.821 426 T HA -0.090 4.266 4.350 0.010 0.000 0.267 426 T C 1.687 176.515 174.700 0.213 0.000 1.046 426 T CA 1.425 63.623 62.100 0.163 0.000 1.139 426 T CB -0.750 68.181 68.868 0.106 0.000 0.871 426 T HN 0.053 nan 8.240 nan 0.000 0.454 427 V N 2.791 122.806 119.914 0.168 0.000 2.343 427 V HA -0.166 3.960 4.120 0.010 0.000 0.247 427 V C 3.207 179.394 176.094 0.155 0.000 1.051 427 V CA 2.064 64.455 62.300 0.151 0.000 1.036 427 V CB -0.922 30.971 31.823 0.117 0.000 0.654 427 V HN 0.804 nan 8.190 nan 0.000 0.451 428 S N -0.334 115.467 115.700 0.168 0.000 2.402 428 S HA -0.196 4.280 4.470 0.010 0.000 0.229 428 S C 1.945 176.666 174.600 0.203 0.000 1.021 428 S CA 1.369 59.668 58.200 0.165 0.000 0.974 428 S CB -0.709 62.593 63.200 0.171 0.000 0.800 428 S HN 0.508 nan 8.310 nan 0.000 0.484 429 F N 2.082 122.097 119.950 0.108 0.000 2.234 429 F HA 0.130 4.663 4.527 0.009 0.000 0.299 429 F C 2.224 178.114 175.800 0.149 0.000 1.087 429 F CA 1.035 59.112 58.000 0.128 0.000 1.340 429 F CB -0.293 38.761 39.000 0.090 0.000 1.031 429 F HN 0.099 nan 8.300 nan 0.000 0.500 430 M N 0.022 119.713 119.600 0.152 0.000 2.175 430 M HA -0.160 4.325 4.480 0.010 0.000 0.264 430 M C 2.192 178.480 176.300 -0.020 0.000 1.063 430 M CA 1.412 56.748 55.300 0.061 0.000 1.119 430 M CB -1.158 31.517 32.600 0.124 0.000 1.377 430 M HN 0.059 nan 8.290 nan 0.000 0.415 431 K N -0.188 120.225 120.400 0.021 0.000 2.057 431 K HA -0.201 4.125 4.320 0.010 0.000 0.207 431 K C 1.970 178.549 176.600 -0.035 0.000 1.049 431 K CA 1.778 58.069 56.287 0.008 0.000 0.931 431 K CB -0.666 31.861 32.500 0.045 0.000 0.714 431 K HN 0.372 nan 8.250 nan 0.000 0.440 432 H N 0.108 119.087 119.070 -0.152 0.000 2.319 432 H HA -0.023 4.539 4.556 0.010 0.000 0.299 432 H C 1.743 176.900 175.328 -0.284 0.000 1.092 432 H CA 2.247 58.170 56.048 -0.208 0.000 1.302 432 H CB -0.229 29.359 29.762 -0.291 0.000 1.373 432 H HN 0.168 nan 8.280 nan 0.000 0.497 433 L N -0.232 120.700 121.223 -0.484 0.000 2.042 433 L HA -0.195 4.151 4.340 0.010 0.000 0.210 433 L C 2.272 178.986 176.870 -0.261 0.000 1.076 433 L CA 1.960 56.550 54.840 -0.417 0.000 0.749 433 L CB -0.478 41.412 42.059 -0.282 0.000 0.893 433 L HN 0.421 nan 8.230 nan 0.000 0.432 434 D N -0.331 119.963 120.400 -0.176 0.000 2.144 434 D HA -0.172 4.474 4.640 0.010 0.000 0.200 434 D C 1.916 178.143 176.300 -0.121 0.000 0.978 434 D CA 0.996 54.929 54.000 -0.111 0.000 0.833 434 D CB 0.150 40.913 40.800 -0.061 0.000 0.961 434 D HN 0.169 nan 8.370 nan 0.000 0.470 435 N N 0.508 119.120 118.700 -0.147 0.000 2.120 435 N HA -0.124 4.622 4.740 0.010 0.000 0.188 435 N C 1.566 176.986 175.510 -0.150 0.000 1.024 435 N CA 0.812 53.794 53.050 -0.114 0.000 0.852 435 N CB -0.255 38.190 38.487 -0.070 0.000 1.003 435 N HN 0.312 nan 8.380 nan 0.000 0.424 436 E N 0.670 120.697 120.200 -0.288 0.000 2.150 436 E HA -0.146 4.210 4.350 0.010 0.000 0.193 436 E C 1.851 178.353 176.600 -0.163 0.000 0.985 436 E CA 0.529 56.765 56.400 -0.273 0.000 0.814 436 E CB -0.080 29.347 29.700 -0.454 0.000 0.752 436 E HN 0.326 nan 8.360 nan 0.000 0.466 437 Q N 1.459 121.173 119.800 -0.143 0.000 2.084 437 Q HA -0.115 4.231 4.340 0.010 0.000 0.202 437 Q C 1.778 177.733 176.000 -0.074 0.000 0.978 437 Q CA 1.659 57.408 55.803 -0.090 0.000 0.844 437 Q CB 0.058 28.752 28.738 -0.073 0.000 0.898 437 Q HN 0.134 nan 8.270 nan 0.000 0.426 438 K N -0.839 119.519 120.400 -0.070 0.000 2.062 438 K HA 0.039 4.365 4.320 0.010 0.000 0.205 438 K C 2.032 178.604 176.600 -0.048 0.000 1.051 438 K CA 1.001 57.256 56.287 -0.052 0.000 0.941 438 K CB -0.167 32.308 32.500 -0.042 0.000 0.719 438 K HN 0.222 nan 8.250 nan 0.000 0.440 439 A N 1.331 124.121 122.820 -0.049 0.000 1.929 439 A HA -0.070 4.256 4.320 0.010 0.000 0.216 439 A C 1.748 179.308 177.584 -0.040 0.000 1.176 439 A CA 1.153 53.172 52.037 -0.030 0.000 0.628 439 A CB -0.020 18.978 19.000 -0.004 0.000 0.816 439 A HN 0.180 nan 8.150 nan 0.000 0.444 440 R N -2.702 117.761 120.500 -0.062 0.000 2.541 440 R HA 0.268 4.614 4.340 0.010 0.000 0.332 440 R C 0.828 177.091 176.300 -0.062 0.000 0.951 440 R CA 0.490 56.556 56.100 -0.057 0.000 1.136 440 R CB 0.667 30.931 30.300 -0.061 0.000 1.449 440 R HN 0.680 nan 8.270 nan 0.000 0.531 441 G N 0.945 109.702 108.800 -0.072 0.000 2.137 441 G HA2 -0.177 3.789 3.960 0.010 0.000 0.237 441 G HA3 -0.177 3.789 3.960 0.010 0.000 0.237 441 G C 0.221 175.087 174.900 -0.057 0.000 1.002 441 G CA 0.067 45.116 45.100 -0.085 0.000 0.702 441 G HN 0.735 nan 8.290 nan 0.000 0.515 442 G N -2.426 106.355 108.800 -0.032 0.000 2.337 442 G HA2 0.539 4.505 3.960 0.010 0.000 0.298 442 G HA3 0.539 4.505 3.960 0.010 0.000 0.298 442 G C -0.842 174.075 174.900 0.028 0.000 1.335 442 G CA 0.380 45.497 45.100 0.029 0.000 0.875 442 G HN 1.938 nan 8.290 nan 0.000 0.579 443 C N 1.971 121.316 119.300 0.075 0.000 2.817 443 C HA 0.726 5.192 4.460 0.010 0.000 0.385 443 C C -2.553 172.415 174.990 -0.036 0.000 1.050 443 C CA -1.190 57.826 59.018 -0.004 0.000 1.245 443 C CB 1.368 29.051 27.740 -0.096 0.000 1.706 443 C HN 0.705 nan 8.230 nan 0.000 0.488 444 P HA 0.401 nan 4.420 nan 0.000 0.271 444 P C -0.677 176.511 177.300 -0.187 0.000 1.226 444 P CA 0.564 63.270 63.100 -0.656 0.000 0.765 444 P CB 1.058 32.130 31.700 -1.047 0.000 0.835 445 A N 2.794 125.576 122.820 -0.064 0.000 2.455 445 A HA 0.411 4.737 4.320 0.010 0.000 0.300 445 A C -1.000 176.632 177.584 0.081 0.000 1.040 445 A CA -0.558 51.530 52.037 0.086 0.000 0.697 445 A CB 1.309 20.477 19.000 0.281 0.000 1.265 445 A HN 0.433 nan 8.150 nan 0.000 0.407 446 D N 2.043 122.480 120.400 0.062 0.000 2.467 446 D HA 0.135 4.781 4.640 0.010 0.000 0.220 446 D C 0.853 177.283 176.300 0.217 0.000 1.103 446 D CA -0.470 53.603 54.000 0.122 0.000 0.886 446 D CB 0.330 41.143 40.800 0.022 0.000 1.025 446 D HN 0.605 nan 8.370 nan 0.000 0.514 447 W N 4.267 125.604 121.300 0.062 0.000 2.290 447 W HA -0.361 4.306 4.660 0.010 0.000 0.323 447 W C 2.003 178.551 176.519 0.048 0.000 1.260 447 W CA 2.732 60.097 57.345 0.034 0.000 1.266 447 W CB -0.103 29.353 29.460 -0.006 0.000 1.149 447 W HN 0.549 nan 8.180 nan 0.000 0.482 448 A N -1.379 121.705 122.820 0.440 0.000 2.024 448 A HA -0.215 4.111 4.320 0.010 0.000 0.220 448 A C 1.489 179.098 177.584 0.041 0.000 1.164 448 A CA 1.724 53.916 52.037 0.258 0.000 0.643 448 A CB -1.298 17.894 19.000 0.320 0.000 0.806 448 A HN 0.559 nan 8.150 nan 0.000 0.451 449 W N -1.021 120.238 121.300 -0.068 0.000 2.704 449 W HA 0.206 4.872 4.660 0.009 0.000 0.266 449 W C 1.826 178.222 176.519 -0.205 0.000 1.266 449 W CA -0.123 57.161 57.345 -0.101 0.000 1.377 449 W CB -0.022 29.408 29.460 -0.049 0.000 1.082 449 W HN 0.138 nan 8.180 nan 0.000 0.608 450 I N -0.239 120.276 120.570 -0.091 0.000 2.406 450 I HA -0.055 4.121 4.170 0.010 0.000 0.249 450 I C 0.685 176.584 176.117 -0.363 0.000 1.122 450 I CA 0.755 61.867 61.300 -0.313 0.000 1.431 450 I CB -1.414 36.322 38.000 -0.440 0.000 1.087 450 I HN -0.413 nan 8.210 nan 0.000 0.424 451 V N 3.843 123.452 119.914 -0.509 0.000 2.521 451 V HA 0.093 4.219 4.120 0.010 0.000 0.286 451 V C -1.946 173.961 176.094 -0.312 0.000 1.034 451 V CA -1.071 60.930 62.300 -0.499 0.000 1.045 451 V CB 0.230 31.522 31.823 -0.886 0.000 0.974 451 V HN 0.123 nan 8.190 nan 0.000 0.480 452 P HA 0.124 nan 4.420 nan 0.000 0.269 452 P C -1.772 175.394 177.300 -0.222 0.000 1.209 452 P CA -1.138 61.836 63.100 -0.211 0.000 0.776 452 P CB 0.072 31.657 31.700 -0.192 0.000 0.876 453 P HA -0.048 nan 4.420 nan 0.000 0.228 453 P C 0.226 177.408 177.300 -0.197 0.000 1.151 453 P CA 1.263 64.239 63.100 -0.207 0.000 0.770 453 P CB 0.015 31.587 31.700 -0.213 0.000 0.786 454 I N -6.997 113.419 120.570 -0.257 0.000 2.934 454 I HA 0.459 4.635 4.170 0.010 0.000 0.306 454 I C 0.029 176.024 176.117 -0.203 0.000 1.110 454 I CA -1.266 59.898 61.300 -0.227 0.000 1.019 454 I CB 1.938 39.779 38.000 -0.266 0.000 1.227 454 I HN -0.409 nan 8.210 nan 0.000 0.434 455 S N 1.998 117.635 115.700 -0.104 0.000 3.533 455 S HA -0.208 4.268 4.470 0.010 0.000 0.347 455 S C 1.390 175.962 174.600 -0.047 0.000 1.101 455 S CA 0.863 59.047 58.200 -0.027 0.000 1.009 455 S CB -1.775 61.489 63.200 0.107 0.000 0.916 455 S HN 1.271 nan 8.310 nan 0.000 0.496 456 G N 2.307 111.052 108.800 -0.092 0.000 2.681 456 G HA2 -0.355 3.611 3.960 0.010 0.000 0.220 456 G HA3 -0.355 3.611 3.960 0.010 0.000 0.220 456 G C 1.416 176.199 174.900 -0.195 0.000 1.210 456 G CA 1.625 46.680 45.100 -0.075 0.000 0.783 456 G HN 1.311 nan 8.290 nan 0.000 0.609 457 S N 0.288 115.623 115.700 -0.608 0.000 2.603 457 S HA 0.200 4.675 4.470 0.010 0.000 0.229 457 S C 1.972 176.482 174.600 -0.151 0.000 0.972 457 S CA 0.533 58.219 58.200 -0.857 0.000 0.935 457 S CB -0.126 62.404 63.200 -1.117 0.000 0.769 457 S HN 0.331 nan 8.310 nan 0.000 0.536 458 L N 1.936 123.141 121.223 -0.030 0.000 2.558 458 L HA 0.162 4.507 4.340 0.010 0.000 0.225 458 L C 1.182 178.172 176.870 0.200 0.000 1.128 458 L CA 0.340 55.248 54.840 0.114 0.000 0.868 458 L CB -0.768 41.387 42.059 0.160 0.000 1.006 458 L HN 0.465 nan 8.230 nan 0.000 0.454 459 T N -4.375 110.281 114.554 0.169 0.000 2.945 459 T HA 0.331 4.687 4.350 0.010 0.000 0.286 459 T C -1.729 173.124 174.700 0.254 0.000 1.025 459 T CA -1.964 60.257 62.100 0.201 0.000 1.039 459 T CB 1.977 70.916 68.868 0.119 0.000 1.068 459 T HN -0.210 nan 8.240 nan 0.000 0.497 460 P HA -0.068 nan 4.420 nan 0.000 0.221 460 P C 1.796 179.286 177.300 0.316 0.000 1.150 460 P CA 0.970 64.257 63.100 0.312 0.000 0.800 460 P CB -0.337 31.501 31.700 0.229 0.000 0.787 461 V N -3.651 116.400 119.914 0.228 0.000 2.626 461 V HA -0.194 3.932 4.120 0.010 0.000 0.252 461 V C 2.397 178.590 176.094 0.165 0.000 1.067 461 V CA 1.156 63.567 62.300 0.185 0.000 1.081 461 V CB -2.246 29.611 31.823 0.058 0.000 0.686 461 V HN -0.111 nan 8.190 nan 0.000 0.468 462 F N 1.886 121.807 119.950 -0.048 0.000 2.126 462 F HA -0.202 4.331 4.527 0.010 0.000 0.299 462 F C 2.519 178.438 175.800 0.199 0.000 1.096 462 F CA 2.352 60.343 58.000 -0.015 0.000 1.255 462 F CB -0.293 38.554 39.000 -0.255 0.000 0.997 462 F HN 0.266 nan 8.300 nan 0.000 0.479 463 H N -0.871 118.544 119.070 0.576 0.000 2.547 463 H HA 0.073 4.635 4.556 0.010 0.000 0.266 463 H C 0.301 175.878 175.328 0.416 0.000 0.988 463 H CA 0.354 56.687 56.048 0.475 0.000 1.147 463 H CB -0.322 29.693 29.762 0.422 0.000 1.365 463 H HN 0.274 nan 8.280 nan 0.000 0.589 464 Q N 1.879 121.954 119.800 0.458 0.000 2.314 464 Q HA 0.169 4.515 4.340 0.010 0.000 0.259 464 Q C -0.608 175.617 176.000 0.375 0.000 0.951 464 Q CA -0.434 55.593 55.803 0.373 0.000 0.909 464 Q CB 0.864 29.791 28.738 0.316 0.000 1.236 464 Q HN 0.222 nan 8.270 nan 0.000 0.444 465 E N 3.315 123.688 120.200 0.289 0.000 2.383 465 E HA 0.309 4.665 4.350 0.010 0.000 0.264 465 E C -0.535 176.194 176.600 0.214 0.000 1.050 465 E CA 0.162 56.684 56.400 0.204 0.000 0.896 465 E CB 0.881 30.683 29.700 0.171 0.000 0.982 465 E HN 0.601 nan 8.360 nan 0.000 0.424 466 M N 1.439 121.164 119.600 0.208 0.000 2.501 466 M HA 0.351 4.837 4.480 0.010 0.000 0.293 466 M C -1.240 175.166 176.300 0.175 0.000 1.192 466 M CA -0.971 54.462 55.300 0.222 0.000 0.886 466 M CB 2.401 35.187 32.600 0.310 0.000 1.710 466 M HN 0.157 nan 8.290 nan 0.000 0.457 467 V N 1.744 121.771 119.914 0.188 0.000 2.398 467 V HA 0.410 4.536 4.120 0.010 0.000 0.286 467 V C -0.518 175.693 176.094 0.195 0.000 1.026 467 V CA -0.705 61.735 62.300 0.232 0.000 0.868 467 V CB 1.524 33.546 31.823 0.333 0.000 0.982 467 V HN 0.877 nan 8.190 nan 0.000 0.443 468 N N 3.517 122.324 118.700 0.178 0.000 2.372 468 N HA 0.696 5.441 4.740 0.010 0.000 0.291 468 N C -1.633 173.969 175.510 0.153 0.000 1.024 468 N CA -0.422 52.649 53.050 0.036 0.000 0.873 468 N CB 1.750 40.265 38.487 0.046 0.000 1.206 468 N HN 0.742 nan 8.380 nan 0.000 0.486 469 Y N 0.718 121.037 120.300 0.032 0.000 2.677 469 Y HA 0.486 5.042 4.550 0.010 0.000 0.334 469 Y C -1.440 174.463 175.900 0.006 0.000 1.196 469 Y CA -1.190 56.923 58.100 0.022 0.000 1.059 469 Y CB 0.700 39.178 38.460 0.030 0.000 1.315 469 Y HN 0.172 nan 8.280 nan 0.000 0.455 470 I N 3.496 124.165 120.570 0.165 0.000 2.321 470 I HA 0.437 4.613 4.170 0.010 0.000 0.291 470 I C -0.732 175.454 176.117 0.116 0.000 0.998 470 I CA -0.510 60.830 61.300 0.068 0.000 1.227 470 I CB 1.054 39.076 38.000 0.037 0.000 1.368 470 I HN 0.426 nan 8.210 nan 0.000 0.466 471 L N 5.046 126.306 121.223 0.061 0.000 2.342 471 L HA 0.581 4.927 4.340 0.010 0.000 0.271 471 L C -0.027 176.847 176.870 0.006 0.000 1.008 471 L CA -0.504 54.377 54.840 0.068 0.000 0.818 471 L CB 2.069 44.170 42.059 0.070 0.000 1.296 471 L HN 0.547 nan 8.230 nan 0.000 0.427 472 S N 1.695 117.408 115.700 0.022 0.000 2.536 472 S HA 0.647 5.123 4.470 0.010 0.000 0.298 472 S C -2.599 172.023 174.600 0.035 0.000 1.083 472 S CA -1.478 56.720 58.200 -0.002 0.000 0.995 472 S CB 1.902 65.113 63.200 0.018 0.000 1.058 472 S HN 0.239 nan 8.310 nan 0.000 0.488 473 P HA 0.348 nan 4.420 nan 0.000 0.267 473 P C -1.233 175.949 177.300 -0.197 0.000 1.201 473 P CA 0.145 63.166 63.100 -0.132 0.000 0.775 473 P CB 0.460 32.047 31.700 -0.188 0.000 0.854 474 A N 1.686 124.347 122.820 -0.265 0.000 2.610 474 A HA 0.686 5.012 4.320 0.010 0.000 0.291 474 A C -1.653 175.712 177.584 -0.366 0.000 1.086 474 A CA -0.518 51.358 52.037 -0.268 0.000 0.677 474 A CB 0.791 19.712 19.000 -0.132 0.000 1.278 474 A HN 0.328 nan 8.150 nan 0.000 0.414 475 F N 0.994 120.859 119.950 -0.140 0.000 2.415 475 F HA 0.661 5.193 4.527 0.009 0.000 0.348 475 F C 0.974 176.660 175.800 -0.190 0.000 1.119 475 F CA 0.054 57.971 58.000 -0.137 0.000 1.069 475 F CB 1.787 40.676 39.000 -0.185 0.000 1.124 475 F HN 0.547 nan 8.300 nan 0.000 0.472 476 R N 1.592 122.102 120.500 0.017 0.000 2.888 476 R HA 0.493 4.838 4.340 0.010 0.000 0.266 476 R C -1.559 174.692 176.300 -0.082 0.000 1.020 476 R CA -1.247 54.788 56.100 -0.108 0.000 0.963 476 R CB 1.543 31.820 30.300 -0.038 0.000 1.197 476 R HN 0.392 nan 8.270 nan 0.000 0.481 477 Y N 1.269 121.588 120.300 0.032 0.000 2.301 477 Y HA 0.169 4.726 4.550 0.010 0.000 0.328 477 Y C 0.514 176.414 175.900 -0.001 0.000 1.242 477 Y CA -0.198 57.913 58.100 0.018 0.000 1.323 477 Y CB 0.950 39.410 38.460 0.000 0.000 1.266 477 Y HN 0.439 nan 8.280 nan 0.000 0.527 478 Q N 1.625 121.521 119.800 0.159 0.000 2.416 478 Q HA 0.652 4.998 4.340 0.010 0.000 0.281 478 Q C -3.141 172.833 176.000 -0.043 0.000 1.067 478 Q CA -2.489 53.339 55.803 0.041 0.000 0.809 478 Q CB 2.254 31.007 28.738 0.025 0.000 1.418 478 Q HN 0.269 nan 8.270 nan 0.000 0.411 479 P HA 0.071 nan 4.420 nan 0.000 0.269 479 P C -0.920 176.170 177.300 -0.350 0.000 1.215 479 P CA -0.060 62.917 63.100 -0.204 0.000 0.780 479 P CB 0.431 32.023 31.700 -0.179 0.000 0.898 480 D N 2.889 122.948 120.400 -0.568 0.000 2.414 480 D HA 0.015 4.661 4.640 0.010 0.000 0.242 480 D C -1.314 174.378 176.300 -1.014 0.000 1.129 480 D CA -0.876 52.499 54.000 -1.042 0.000 0.885 480 D CB 0.225 39.923 40.800 -1.838 0.000 1.198 480 D HN 0.214 nan 8.370 nan 0.000 0.437 481 P HA -0.079 nan 4.420 nan 0.000 0.216 481 P C 0.276 177.214 177.300 -0.605 0.000 1.150 481 P CA 0.902 63.570 63.100 -0.720 0.000 0.837 481 P CB 0.116 31.294 31.700 -0.871 0.000 0.786 482 W N 0.000 120.867 121.300 -0.722 0.000 2.388 482 W HA 0.000 4.666 4.660 0.009 0.000 0.303 482 W CA 0.000 57.110 57.345 -0.391 0.000 1.226 482 W CB 0.000 29.224 29.460 -0.393 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535