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 1n2n_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIW 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.019 176.000 0.031 0.000 1.003 77 Q CA 0.000 55.696 55.803 -0.179 0.000 1.022 77 Q CB 0.000 28.661 28.738 -0.129 0.000 1.108 78 Y N -1.880 118.469 120.300 0.081 0.000 2.974 78 Y HA 0.914 5.464 4.550 -0.000 0.000 0.310 78 Y C -1.342 174.572 175.900 0.024 0.000 1.551 78 Y CA -1.327 56.821 58.100 0.079 0.000 1.084 78 Y CB 0.459 38.914 38.460 -0.008 0.000 1.446 78 Y HN 0.330 nan 8.280 nan 0.000 0.472 79 V N 1.981 122.140 119.914 0.408 0.000 2.525 79 V HA 0.447 4.567 4.120 -0.000 0.000 0.299 79 V C -0.375 175.780 176.094 0.101 0.000 1.034 79 V CA -0.966 61.434 62.300 0.167 0.000 0.863 79 V CB 1.474 33.230 31.823 -0.111 0.000 0.999 79 V HN 0.758 nan 8.190 nan 0.000 0.423 80 R N 4.928 125.488 120.500 0.099 0.000 2.401 80 R HA 0.392 4.732 4.340 -0.000 0.000 0.299 80 R C -1.219 175.088 176.300 0.012 0.000 1.064 80 R CA -0.192 55.933 56.100 0.041 0.000 1.000 80 R CB 0.441 30.786 30.300 0.075 0.000 0.973 80 R HN 0.504 nan 8.270 nan 0.000 0.438 81 I N 4.806 125.352 120.570 -0.041 0.000 2.436 81 I HA 0.299 4.469 4.170 -0.000 0.000 0.289 81 I C -0.199 175.845 176.117 -0.122 0.000 1.010 81 I CA -0.571 60.691 61.300 -0.063 0.000 1.098 81 I CB 1.623 39.560 38.000 -0.105 0.000 1.266 81 I HN 0.621 nan 8.210 nan 0.000 0.434 82 K N 4.612 124.955 120.400 -0.094 0.000 2.259 82 K HA 0.428 4.748 4.320 -0.000 0.000 0.249 82 K C -0.622 175.876 176.600 -0.169 0.000 0.942 82 K CA -0.631 55.520 56.287 -0.226 0.000 0.816 82 K CB 1.827 34.068 32.500 -0.432 0.000 1.155 82 K HN 0.540 nan 8.250 nan 0.000 0.428 83 N N 3.198 121.779 118.700 -0.199 0.000 2.546 83 N HA 0.171 4.911 4.740 -0.000 0.000 0.238 83 N C -0.477 174.995 175.510 -0.065 0.000 0.984 83 N CA -0.626 52.417 53.050 -0.012 0.000 0.935 83 N CB 0.440 38.935 38.487 0.012 0.000 1.122 83 N HN 0.571 nan 8.380 nan 0.000 0.510 84 W N 2.117 123.485 121.300 0.114 0.000 2.747 84 W HA 0.177 4.836 4.660 -0.000 0.000 0.244 84 W C 1.883 178.439 176.519 0.063 0.000 1.270 84 W CA 0.157 57.564 57.345 0.103 0.000 1.333 84 W CB 0.082 29.633 29.460 0.151 0.000 1.139 84 W HN 0.692 nan 8.180 nan 0.000 0.662 85 G N -0.979 107.938 108.800 0.196 0.000 2.744 85 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.211 85 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.211 85 G C 1.228 176.130 174.900 0.003 0.000 1.146 85 G CA 0.928 46.042 45.100 0.023 0.000 0.787 85 G HN 0.247 nan 8.290 nan 0.000 0.534 86 S N -1.997 113.699 115.700 -0.006 0.000 2.893 86 S HA 0.387 4.857 4.470 -0.000 0.000 0.258 86 S C 1.616 176.164 174.600 -0.087 0.000 1.034 86 S CA 1.004 59.180 58.200 -0.040 0.000 1.167 86 S CB 0.283 63.463 63.200 -0.034 0.000 1.137 86 S HN 1.370 nan 8.310 nan 0.000 0.650 87 G N 1.311 110.027 108.800 -0.140 0.000 2.180 87 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.263 87 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.263 87 G C -0.082 174.685 174.900 -0.221 0.000 0.989 87 G CA 0.781 45.745 45.100 -0.227 0.000 0.692 87 G HN 0.789 nan 8.290 nan 0.000 0.526 88 E N -0.574 119.516 120.200 -0.182 0.000 2.383 88 E HA 0.560 4.910 4.350 -0.000 0.000 0.264 88 E C 0.202 176.671 176.600 -0.219 0.000 1.050 88 E CA -0.455 55.840 56.400 -0.176 0.000 0.896 88 E CB 0.338 29.954 29.700 -0.140 0.000 0.982 88 E HN 0.199 nan 8.360 nan 0.000 0.424 89 I N 3.310 123.743 120.570 -0.228 0.000 2.740 89 I HA 0.441 4.611 4.170 -0.000 0.000 0.303 89 I C -0.834 175.083 176.117 -0.333 0.000 1.044 89 I CA -0.474 60.673 61.300 -0.255 0.000 1.064 89 I CB 1.634 39.505 38.000 -0.216 0.000 1.249 89 I HN 0.504 nan 8.210 nan 0.000 0.433 90 L N 3.621 124.628 121.223 -0.359 0.000 2.424 90 L HA 0.502 4.842 4.340 -0.000 0.000 0.258 90 L C -1.177 175.533 176.870 -0.266 0.000 0.995 90 L CA -0.781 53.784 54.840 -0.459 0.000 0.821 90 L CB 2.402 43.986 42.059 -0.792 0.000 1.383 90 L HN 0.543 nan 8.230 nan 0.000 0.410 91 H N 0.813 119.723 119.070 -0.266 0.000 2.551 91 H HA 0.183 4.739 4.556 -0.000 0.000 0.321 91 H C -1.177 174.202 175.328 0.086 0.000 1.028 91 H CA -0.726 55.131 56.048 -0.319 0.000 1.215 91 H CB 2.146 31.526 29.762 -0.636 0.000 1.414 91 H HN 0.425 nan 8.280 nan 0.000 0.480 92 D N 3.042 123.614 120.400 0.286 0.000 2.347 92 D HA 0.014 4.654 4.640 -0.000 0.000 0.235 92 D C 0.816 177.253 176.300 0.229 0.000 1.149 92 D CA -0.068 54.128 54.000 0.327 0.000 0.850 92 D CB 1.286 42.266 40.800 0.300 0.000 1.061 92 D HN 0.721 nan 8.370 nan 0.000 0.487 93 T N 1.067 115.690 114.554 0.115 0.000 2.978 93 T HA -0.053 4.297 4.350 -0.000 0.000 0.248 93 T C 1.919 176.480 174.700 -0.232 0.000 1.018 93 T CA -0.233 61.844 62.100 -0.038 0.000 1.026 93 T CB -0.024 68.920 68.868 0.127 0.000 1.032 93 T HN 0.256 nan 8.240 nan 0.000 0.485 94 L N 3.129 124.278 121.223 -0.123 0.000 2.349 94 L HA -0.105 4.235 4.340 -0.000 0.000 0.220 94 L C 2.408 179.070 176.870 -0.346 0.000 1.130 94 L CA 1.681 56.436 54.840 -0.141 0.000 0.791 94 L CB -0.878 41.149 42.059 -0.053 0.000 0.918 94 L HN 0.599 nan 8.230 nan 0.000 0.444 95 H N -2.852 115.780 119.070 -0.731 0.000 2.546 95 H HA -0.114 4.442 4.556 -0.000 0.000 0.277 95 H C 1.574 176.545 175.328 -0.595 0.000 1.004 95 H CA 1.461 56.782 56.048 -1.212 0.000 1.231 95 H CB -0.800 28.259 29.762 -1.170 0.000 1.382 95 H HN 0.580 nan 8.280 nan 0.000 0.580 96 H N 0.863 119.493 119.070 -0.733 0.000 2.423 96 H HA -0.007 4.549 4.556 -0.000 0.000 0.297 96 H C 1.423 176.596 175.328 -0.258 0.000 1.075 96 H CA 0.902 56.649 56.048 -0.501 0.000 1.342 96 H CB 0.396 29.936 29.762 -0.370 0.000 1.395 96 H HN 0.181 nan 8.280 nan 0.000 0.530 97 K N 0.927 121.269 120.400 -0.098 0.000 2.555 97 K HA 0.131 4.451 4.320 -0.000 0.000 0.193 97 K C 0.310 176.903 176.600 -0.012 0.000 1.032 97 K CA 0.206 56.477 56.287 -0.026 0.000 1.004 97 K CB 0.015 32.517 32.500 0.002 0.000 0.804 97 K HN 0.221 nan 8.250 nan 0.000 0.496 98 A N 1.602 124.384 122.820 -0.064 0.000 2.563 98 A HA -0.014 4.306 4.320 -0.000 0.000 0.256 98 A C 1.500 179.103 177.584 0.032 0.000 1.056 98 A CA 0.649 52.686 52.037 -0.001 0.000 0.775 98 A CB -0.453 18.533 19.000 -0.025 0.000 0.973 98 A HN 0.545 nan 8.150 nan 0.000 0.516 99 T N 1.735 116.314 114.554 0.040 0.000 2.327 99 T HA -0.200 4.150 4.350 -0.000 0.000 0.228 99 T C 1.602 176.341 174.700 0.064 0.000 1.459 99 T CA 2.100 64.229 62.100 0.048 0.000 1.258 99 T CB -0.708 68.170 68.868 0.017 0.000 0.865 99 T HN 1.187 nan 8.240 nan 0.000 0.390 100 S N 0.809 116.548 115.700 0.065 0.000 3.853 100 S HA 0.363 4.833 4.470 -0.000 0.000 0.186 100 S C -1.021 173.629 174.600 0.082 0.000 0.956 100 S CA -0.437 57.804 58.200 0.070 0.000 1.468 100 S CB 0.196 63.434 63.200 0.063 0.000 0.854 100 S HN 0.627 nan 8.310 nan 0.000 0.807 101 D N 0.237 120.691 120.400 0.090 0.000 2.457 101 D HA 0.472 5.112 4.640 -0.000 0.000 0.240 101 D C -0.649 175.754 176.300 0.172 0.000 1.041 101 D CA -0.425 53.646 54.000 0.120 0.000 0.861 101 D CB 1.434 42.283 40.800 0.082 0.000 1.394 101 D HN 0.283 nan 8.370 nan 0.000 0.473 102 F N 0.773 120.748 119.950 0.041 0.000 2.137 102 F HA 0.193 4.720 4.527 -0.000 0.000 0.238 102 F C 1.713 177.540 175.800 0.046 0.000 0.875 102 F CA -0.020 58.006 58.000 0.044 0.000 1.146 102 F CB 0.156 39.192 39.000 0.060 0.000 1.988 102 F HN 0.250 nan 8.300 nan 0.000 0.595 103 T N -1.226 112.986 114.554 -0.569 0.000 3.132 103 T HA 0.284 4.634 4.350 -0.000 0.000 0.274 103 T C -0.253 174.386 174.700 -0.102 0.000 1.011 103 T CA -0.202 61.684 62.100 -0.357 0.000 0.899 103 T CB -1.478 67.074 68.868 -0.526 0.000 1.089 103 T HN 0.309 nan 8.240 nan 0.000 0.543 104 C N 3.426 122.787 119.300 0.101 0.000 2.295 104 C HA 0.574 5.034 4.460 -0.000 0.000 0.331 104 C C 0.983 176.032 174.990 0.098 0.000 1.280 104 C CA -1.297 57.803 59.018 0.136 0.000 1.746 104 C CB 0.403 28.285 27.740 0.237 0.000 2.328 104 C HN 0.383 nan 8.230 nan 0.000 0.521 105 K N 1.499 121.935 120.400 0.061 0.000 2.284 105 K HA 0.117 4.436 4.320 -0.000 0.000 0.243 105 K C 1.338 177.970 176.600 0.053 0.000 1.075 105 K CA 0.049 56.364 56.287 0.047 0.000 0.868 105 K CB 0.152 32.671 32.500 0.032 0.000 1.157 105 K HN 0.625 nan 8.250 nan 0.000 0.512 106 S N 0.432 116.156 115.700 0.041 0.000 2.436 106 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 106 S C 1.626 176.246 174.600 0.033 0.000 1.014 106 S CA 1.252 59.475 58.200 0.038 0.000 0.950 106 S CB 0.086 63.304 63.200 0.030 0.000 0.784 106 S HN 0.475 nan 8.310 nan 0.000 0.504 107 K N 0.129 120.547 120.400 0.030 0.000 2.225 107 K HA 0.273 4.593 4.320 -0.000 0.000 0.204 107 K C 1.149 177.766 176.600 0.027 0.000 1.047 107 K CA 0.261 56.563 56.287 0.025 0.000 0.970 107 K CB -0.329 32.182 32.500 0.019 0.000 0.939 107 K HN 0.071 nan 8.250 nan 0.000 0.472 108 S N 0.132 115.850 115.700 0.030 0.000 2.632 108 S HA 0.293 4.763 4.470 -0.000 0.000 0.271 108 S C -0.757 173.871 174.600 0.048 0.000 1.260 108 S CA -0.812 57.408 58.200 0.032 0.000 1.010 108 S CB 1.202 64.418 63.200 0.027 0.000 0.965 108 S HN 0.437 nan 8.310 nan 0.000 0.534 109 C N 5.494 124.825 119.300 0.052 0.000 2.316 109 C HA 0.619 5.079 4.460 -0.000 0.000 0.324 109 C C -0.110 174.928 174.990 0.079 0.000 1.226 109 C CA -0.713 58.352 59.018 0.078 0.000 1.450 109 C CB -1.218 26.563 27.740 0.068 0.000 2.123 109 C HN 0.840 nan 8.230 nan 0.000 0.454 110 L N 5.792 127.068 121.223 0.087 0.000 2.851 110 L HA 0.333 4.673 4.340 -0.000 0.000 0.237 110 L C 2.083 179.017 176.870 0.107 0.000 1.257 110 L CA 0.702 55.579 54.840 0.062 0.000 1.061 110 L CB -0.338 41.724 42.059 0.004 0.000 1.372 110 L HN 0.950 nan 8.230 nan 0.000 0.493 111 G N -0.401 108.509 108.800 0.183 0.000 2.535 111 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 111 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 111 G C 1.444 176.486 174.900 0.236 0.000 1.122 111 G CA 1.066 46.331 45.100 0.274 0.000 0.769 111 G HN 0.532 nan 8.290 nan 0.000 0.549 112 S N -0.381 115.421 115.700 0.171 0.000 2.557 112 S HA 0.359 4.829 4.470 -0.000 0.000 0.223 112 S C 0.626 175.323 174.600 0.161 0.000 0.969 112 S CA -0.633 57.674 58.200 0.178 0.000 0.927 112 S CB 0.150 63.430 63.200 0.133 0.000 0.806 112 S HN -0.017 nan 8.310 nan 0.000 0.489 113 I N 2.750 123.396 120.570 0.126 0.000 2.496 113 I HA 0.184 4.354 4.170 -0.000 0.000 0.285 113 I C 1.672 177.866 176.117 0.128 0.000 1.080 113 I CA -0.090 61.263 61.300 0.089 0.000 1.404 113 I CB 0.284 38.299 38.000 0.025 0.000 1.403 113 I HN 0.292 nan 8.210 nan 0.000 0.539 114 M N 4.885 124.562 119.600 0.129 0.000 2.098 114 M HA -0.102 4.377 4.480 -0.000 0.000 0.262 114 M C 0.265 176.579 176.300 0.023 0.000 1.072 114 M CA 1.693 57.095 55.300 0.170 0.000 1.133 114 M CB -0.412 32.282 32.600 0.157 0.000 1.344 114 M HN 0.545 nan 8.290 nan 0.000 0.414 115 N N 0.916 119.578 118.700 -0.063 0.000 2.886 115 N HA 0.233 4.973 4.740 -0.000 0.000 0.285 115 N C -2.460 173.015 175.510 -0.059 0.000 1.706 115 N CA -0.939 52.012 53.050 -0.165 0.000 0.904 115 N CB 0.724 39.034 38.487 -0.296 0.000 1.224 115 N HN 0.195 nan 8.380 nan 0.000 0.488 116 P HA 0.082 nan 4.420 nan 0.000 0.274 116 P C 0.214 177.502 177.300 -0.020 0.000 1.231 116 P CA -0.272 62.793 63.100 -0.057 0.000 0.790 116 P CB 1.797 33.405 31.700 -0.154 0.000 0.951 117 K N 0.883 121.262 120.400 -0.034 0.000 2.074 117 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 117 K C 2.157 178.764 176.600 0.011 0.000 1.048 117 K CA 2.216 58.498 56.287 -0.010 0.000 0.926 117 K CB -0.549 31.935 32.500 -0.026 0.000 0.713 117 K HN 0.596 nan 8.250 nan 0.000 0.444 118 S N 0.754 116.430 115.700 -0.041 0.000 2.440 118 S HA -0.138 4.332 4.470 -0.000 0.000 0.240 118 S C 1.571 176.248 174.600 0.128 0.000 1.014 118 S CA 1.038 59.229 58.200 -0.014 0.000 0.980 118 S CB -0.107 62.995 63.200 -0.165 0.000 0.775 118 S HN 0.101 nan 8.310 nan 0.000 0.499 119 L N 1.236 122.561 121.223 0.171 0.000 2.667 119 L HA 0.430 4.770 4.340 -0.000 0.000 0.232 119 L C 0.294 177.481 176.870 0.528 0.000 1.138 119 L CA 0.477 55.536 54.840 0.364 0.000 0.921 119 L CB -0.145 42.126 42.059 0.354 0.000 1.180 119 L HN 0.250 nan 8.230 nan 0.000 0.487 120 T N -0.562 114.201 114.554 0.348 0.000 2.888 120 T HA 0.540 4.890 4.350 -0.000 0.000 0.284 120 T C -0.367 174.358 174.700 0.042 0.000 1.017 120 T CA -0.503 61.751 62.100 0.257 0.000 1.022 120 T CB 2.350 71.301 68.868 0.139 0.000 1.013 120 T HN -0.185 nan 8.240 nan 0.000 0.465 121 R N 1.443 121.939 120.500 -0.006 0.000 2.412 121 R HA 0.580 4.920 4.340 -0.000 0.000 0.304 121 R C 0.300 176.560 176.300 -0.067 0.000 1.066 121 R CA -0.423 55.575 56.100 -0.170 0.000 0.923 121 R CB 0.380 30.496 30.300 -0.307 0.000 1.156 121 R HN 0.847 nan 8.270 nan 0.000 0.513 122 G N 3.148 111.907 108.800 -0.069 0.000 2.563 122 G HA2 0.387 4.347 3.960 -0.000 0.000 0.283 122 G HA3 0.387 4.347 3.960 -0.000 0.000 0.283 122 G C -2.017 172.852 174.900 -0.051 0.000 1.309 122 G CA -1.056 44.011 45.100 -0.055 0.000 1.022 122 G HN 0.452 nan 8.290 nan 0.000 0.501 123 P HA 0.283 nan 4.420 nan 0.000 0.272 123 P C -0.181 177.100 177.300 -0.032 0.000 1.248 123 P CA -0.046 63.031 63.100 -0.039 0.000 0.799 123 P CB 0.516 32.189 31.700 -0.044 0.000 0.997 124 R N -0.173 120.313 120.500 -0.023 0.000 2.817 124 R HA 0.325 4.665 4.340 -0.000 0.000 0.268 124 R C -0.353 175.939 176.300 -0.014 0.000 1.027 124 R CA -0.617 55.473 56.100 -0.017 0.000 0.928 124 R CB 1.335 31.628 30.300 -0.012 0.000 1.228 124 R HN 0.312 nan 8.270 nan 0.000 0.469 125 D N -0.075 120.319 120.400 -0.009 0.000 2.504 125 D HA 0.064 4.704 4.640 -0.000 0.000 0.276 125 D C -0.450 175.852 176.300 0.003 0.000 1.073 125 D CA 0.910 54.905 54.000 -0.008 0.000 0.905 125 D CB 0.823 41.618 40.800 -0.009 0.000 1.350 125 D HN 0.355 nan 8.370 nan 0.000 0.496 126 K N 0.299 120.703 120.400 0.006 0.000 2.350 126 K HA 0.706 5.026 4.320 -0.000 0.000 0.241 126 K C -2.940 173.669 176.600 0.016 0.000 0.994 126 K CA -1.827 54.469 56.287 0.014 0.000 0.839 126 K CB 1.646 34.153 32.500 0.011 0.000 1.244 126 K HN -0.328 nan 8.250 nan 0.000 0.443 127 P HA -0.035 nan 4.420 nan 0.000 0.272 127 P C -0.616 176.697 177.300 0.021 0.000 1.223 127 P CA -0.207 62.906 63.100 0.022 0.000 0.784 127 P CB 0.609 32.325 31.700 0.027 0.000 0.923 128 T N 2.828 117.396 114.554 0.022 0.000 2.822 128 T HA 0.101 4.451 4.350 -0.000 0.000 0.288 128 T C -2.149 172.572 174.700 0.035 0.000 0.991 128 T CA -1.176 60.943 62.100 0.031 0.000 1.176 128 T CB -0.879 68.016 68.868 0.045 0.000 0.951 128 T HN 0.167 nan 8.240 nan 0.000 0.526 129 P HA 0.020 nan 4.420 nan 0.000 0.261 129 P C 1.238 178.549 177.300 0.018 0.000 1.173 129 P CA -0.156 62.955 63.100 0.018 0.000 0.760 129 P CB 0.385 32.091 31.700 0.011 0.000 0.783 130 L N 4.053 125.284 121.223 0.013 0.000 1.990 130 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 130 L C 2.254 179.115 176.870 -0.014 0.000 1.072 130 L CA 1.705 56.548 54.840 0.006 0.000 0.755 130 L CB -0.529 41.532 42.059 0.003 0.000 0.889 130 L HN 0.469 nan 8.230 nan 0.000 0.432 131 E N 0.805 120.994 120.200 -0.019 0.000 2.169 131 E HA -0.340 4.009 4.350 -0.000 0.000 0.202 131 E C 1.593 178.154 176.600 -0.064 0.000 1.016 131 E CA 2.271 58.650 56.400 -0.036 0.000 0.817 131 E CB -0.616 29.067 29.700 -0.028 0.000 0.736 131 E HN 0.899 nan 8.360 nan 0.000 0.462 132 E N 0.466 120.633 120.200 -0.054 0.000 2.251 132 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 132 E C 2.352 178.887 176.600 -0.109 0.000 0.964 132 E CA 0.131 56.467 56.400 -0.107 0.000 0.868 132 E CB -0.348 29.334 29.700 -0.029 0.000 0.828 132 E HN 0.188 nan 8.360 nan 0.000 0.481 133 L N 1.283 122.512 121.223 0.010 0.000 2.005 133 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 133 L C 2.252 179.140 176.870 0.031 0.000 1.072 133 L CA 1.375 56.267 54.840 0.088 0.000 0.744 133 L CB -0.690 41.432 42.059 0.106 0.000 0.895 133 L HN 0.293 nan 8.230 nan 0.000 0.433 134 L N 0.523 121.730 121.223 -0.028 0.000 1.997 134 L HA -0.163 4.177 4.340 -0.000 0.000 0.216 134 L C -0.505 176.327 176.870 -0.062 0.000 1.074 134 L CA 2.449 57.251 54.840 -0.063 0.000 0.763 134 L CB -2.105 39.918 42.059 -0.059 0.000 0.890 134 L HN 0.219 nan 8.230 nan 0.000 0.434 135 P HA -0.122 nan 4.420 nan 0.000 0.217 135 P C 1.292 178.583 177.300 -0.015 0.000 1.150 135 P CA 1.489 64.532 63.100 -0.095 0.000 0.832 135 P CB -0.206 31.387 31.700 -0.178 0.000 0.787 136 H N -0.438 118.665 119.070 0.054 0.000 2.357 136 H HA 0.048 4.604 4.556 -0.000 0.000 0.301 136 H C 1.992 177.408 175.328 0.148 0.000 1.082 136 H CA 1.523 57.632 56.048 0.101 0.000 1.342 136 H CB -1.038 28.787 29.762 0.106 0.000 1.389 136 H HN 0.038 nan 8.280 nan 0.000 0.511 137 A N 1.010 123.960 122.820 0.216 0.000 1.933 137 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 137 A C 2.665 180.328 177.584 0.131 0.000 1.175 137 A CA 1.248 53.362 52.037 0.129 0.000 0.628 137 A CB -0.779 18.012 19.000 -0.349 0.000 0.814 137 A HN 0.312 nan 8.150 nan 0.000 0.444 138 I N -0.814 119.797 120.570 0.067 0.000 2.226 138 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 138 I C 2.647 178.833 176.117 0.116 0.000 1.100 138 I CA 1.384 62.721 61.300 0.061 0.000 1.374 138 I CB -0.332 37.679 38.000 0.017 0.000 1.057 138 I HN 0.345 nan 8.210 nan 0.000 0.413 139 E N 1.016 121.310 120.200 0.157 0.000 2.058 139 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 139 E C 2.118 178.843 176.600 0.209 0.000 0.997 139 E CA 1.613 58.117 56.400 0.173 0.000 0.801 139 E CB -0.281 29.546 29.700 0.212 0.000 0.746 139 E HN 0.403 nan 8.360 nan 0.000 0.450 140 F N 1.444 121.490 119.950 0.160 0.000 2.102 140 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 140 F C 2.125 178.037 175.800 0.185 0.000 1.105 140 F CA 0.995 59.109 58.000 0.190 0.000 1.239 140 F CB -0.317 38.815 39.000 0.220 0.000 0.991 140 F HN -0.031 nan 8.300 nan 0.000 0.474 141 I N 1.064 121.616 120.570 -0.030 0.000 2.127 141 I HA -0.347 3.823 4.170 -0.000 0.000 0.241 141 I C 2.163 178.240 176.117 -0.067 0.000 1.075 141 I CA 1.425 62.696 61.300 -0.049 0.000 1.334 141 I CB -1.732 36.341 38.000 0.121 0.000 1.040 141 I HN 0.236 nan 8.210 nan 0.000 0.405 142 N N 0.743 119.447 118.700 0.008 0.000 2.104 142 N HA -0.254 4.486 4.740 -0.000 0.000 0.190 142 N C 1.859 177.268 175.510 -0.167 0.000 1.024 142 N CA 1.267 54.316 53.050 -0.001 0.000 0.853 142 N CB -0.465 38.089 38.487 0.112 0.000 1.008 142 N HN 0.520 nan 8.380 nan 0.000 0.424 143 Q N -0.328 119.401 119.800 -0.118 0.000 2.061 143 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 143 Q C 2.005 177.805 176.000 -0.333 0.000 0.984 143 Q CA 1.378 57.124 55.803 -0.094 0.000 0.846 143 Q CB -0.173 28.628 28.738 0.106 0.000 0.902 143 Q HN 0.449 nan 8.270 nan 0.000 0.421 144 Y N -0.252 119.566 120.300 -0.804 0.000 2.145 144 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 144 Y C 1.457 176.506 175.900 -1.418 0.000 1.145 144 Y CA 1.810 59.080 58.100 -1.383 0.000 1.148 144 Y CB -0.560 37.089 38.460 -1.351 0.000 0.981 144 Y HN 0.182 nan 8.280 nan 0.000 0.507 145 Y N -0.291 119.195 120.300 -1.357 0.000 2.509 145 Y HA 0.059 4.609 4.550 -0.000 0.000 0.293 145 Y C 2.516 177.621 175.900 -1.325 0.000 1.133 145 Y CA 1.039 58.098 58.100 -1.735 0.000 1.283 145 Y CB -0.527 37.094 38.460 -1.398 0.000 1.001 145 Y HN 0.232 nan 8.280 nan 0.000 0.555 146 G N -1.489 106.866 108.800 -0.741 0.000 2.813 146 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.209 146 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.209 146 G C 1.607 176.303 174.900 -0.339 0.000 1.150 146 G CA 0.767 45.627 45.100 -0.400 0.000 0.785 146 G HN 0.426 nan 8.290 nan 0.000 0.535 147 S N -0.039 115.358 115.700 -0.505 0.000 2.501 147 S HA 0.269 4.739 4.470 -0.000 0.000 0.220 147 S C 0.638 175.225 174.600 -0.021 0.000 0.997 147 S CA -0.534 57.561 58.200 -0.176 0.000 0.919 147 S CB -0.241 62.958 63.200 -0.001 0.000 0.778 147 S HN -0.034 nan 8.310 nan 0.000 0.523 148 F N 2.756 122.562 119.950 -0.240 0.000 2.545 148 F HA 0.422 4.949 4.527 -0.000 0.000 0.348 148 F C 1.713 177.458 175.800 -0.092 0.000 1.163 148 F CA -1.660 56.228 58.000 -0.186 0.000 1.331 148 F CB 0.267 39.126 39.000 -0.234 0.000 1.138 148 F HN 0.023 nan 8.300 nan 0.000 0.602 149 K N 1.323 121.806 120.400 0.137 0.000 2.031 149 K HA -0.115 4.204 4.320 -0.000 0.000 0.205 149 K C -0.033 176.608 176.600 0.068 0.000 1.049 149 K CA 1.193 57.523 56.287 0.072 0.000 0.939 149 K CB -0.038 32.486 32.500 0.040 0.000 0.717 149 K HN 0.829 nan 8.250 nan 0.000 0.438 150 E N 0.885 121.131 120.200 0.076 0.000 2.114 150 E HA 0.496 4.846 4.350 -0.000 0.000 0.266 150 E C -0.911 175.763 176.600 0.124 0.000 0.896 150 E CA -0.602 55.839 56.400 0.068 0.000 0.750 150 E CB 1.424 31.143 29.700 0.032 0.000 1.121 150 E HN 0.139 nan 8.360 nan 0.000 0.413 151 A N 4.030 126.919 122.820 0.114 0.000 2.507 151 A HA 0.046 4.366 4.320 -0.000 0.000 0.235 151 A C -0.055 177.633 177.584 0.173 0.000 1.070 151 A CA -0.010 52.115 52.037 0.147 0.000 0.768 151 A CB 0.134 19.188 19.000 0.090 0.000 1.011 151 A HN 0.682 nan 8.150 nan 0.000 0.502 152 K N 2.491 123.042 120.400 0.253 0.000 2.842 152 K HA 0.297 4.617 4.320 -0.000 0.000 0.176 152 K C -0.020 176.697 176.600 0.196 0.000 1.080 152 K CA -0.258 56.166 56.287 0.228 0.000 0.954 152 K CB 0.530 33.220 32.500 0.317 0.000 1.203 152 K HN 0.569 nan 8.250 nan 0.000 0.611 153 I N 1.386 122.029 120.570 0.122 0.000 2.118 153 I HA -0.394 3.776 4.170 -0.000 0.000 0.241 153 I C 2.637 178.758 176.117 0.006 0.000 1.070 153 I CA 1.575 62.914 61.300 0.065 0.000 1.327 153 I CB -0.363 37.642 38.000 0.007 0.000 1.034 153 I HN 0.525 nan 8.210 nan 0.000 0.405 154 E N 2.045 122.252 120.200 0.011 0.000 2.070 154 E HA -0.300 4.050 4.350 -0.000 0.000 0.197 154 E C 1.807 178.398 176.600 -0.016 0.000 1.004 154 E CA 2.093 58.488 56.400 -0.008 0.000 0.805 154 E CB -0.953 28.753 29.700 0.011 0.000 0.744 154 E HN 0.682 nan 8.360 nan 0.000 0.451 155 E N -0.171 120.045 120.200 0.027 0.000 2.150 155 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 155 E C 2.224 178.670 176.600 -0.257 0.000 0.985 155 E CA 0.912 57.333 56.400 0.034 0.000 0.814 155 E CB -0.363 29.486 29.700 0.249 0.000 0.752 155 E HN 0.603 nan 8.360 nan 0.000 0.466 156 H N 0.949 119.673 119.070 -0.577 0.000 2.267 156 H HA -0.124 4.432 4.556 -0.000 0.000 0.297 156 H C 2.232 177.222 175.328 -0.563 0.000 1.080 156 H CA 1.328 56.746 56.048 -1.050 0.000 1.278 156 H CB 0.062 29.512 29.762 -0.520 0.000 1.365 156 H HN 0.042 nan 8.280 nan 0.000 0.489 157 L N 0.263 121.357 121.223 -0.216 0.000 2.046 157 L HA -0.170 4.169 4.340 -0.000 0.000 0.208 157 L C 3.059 179.857 176.870 -0.119 0.000 1.077 157 L CA 0.900 55.624 54.840 -0.193 0.000 0.747 157 L CB -0.563 41.398 42.059 -0.165 0.000 0.896 157 L HN 0.410 nan 8.230 nan 0.000 0.432 158 A N 0.208 122.973 122.820 -0.092 0.000 1.883 158 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 158 A C 2.379 179.947 177.584 -0.026 0.000 1.186 158 A CA 2.027 54.039 52.037 -0.042 0.000 0.624 158 A CB -0.516 18.479 19.000 -0.009 0.000 0.822 158 A HN 0.283 nan 8.150 nan 0.000 0.444 159 R N -0.000 120.472 120.500 -0.046 0.000 2.073 159 R HA -0.023 4.317 4.340 -0.000 0.000 0.234 159 R C 1.959 178.267 176.300 0.013 0.000 1.134 159 R CA 1.668 57.782 56.100 0.023 0.000 0.952 159 R CB -0.948 29.391 30.300 0.065 0.000 0.850 159 R HN 0.534 nan 8.270 nan 0.000 0.433 160 L N 0.238 121.443 121.223 -0.030 0.000 1.989 160 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 160 L C 2.585 179.435 176.870 -0.033 0.000 1.071 160 L CA 2.164 56.989 54.840 -0.025 0.000 0.749 160 L CB -0.662 41.366 42.059 -0.052 0.000 0.890 160 L HN 0.415 nan 8.230 nan 0.000 0.431 161 E N 0.043 120.220 120.200 -0.039 0.000 2.070 161 E HA -0.296 4.054 4.350 -0.000 0.000 0.197 161 E C 2.153 178.744 176.600 -0.014 0.000 1.004 161 E CA 1.440 57.821 56.400 -0.031 0.000 0.805 161 E CB -0.038 29.643 29.700 -0.031 0.000 0.744 161 E HN 0.477 nan 8.360 nan 0.000 0.451 162 A N 0.508 123.330 122.820 0.003 0.000 1.851 162 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 162 A C 2.462 180.061 177.584 0.024 0.000 1.195 162 A CA 1.828 53.880 52.037 0.024 0.000 0.622 162 A CB -0.959 18.071 19.000 0.049 0.000 0.831 162 A HN 0.238 nan 8.150 nan 0.000 0.444 163 V N -0.169 119.755 119.914 0.016 0.000 2.287 163 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 163 V C 2.750 178.792 176.094 -0.087 0.000 1.053 163 V CA 2.585 64.862 62.300 -0.038 0.000 1.027 163 V CB -1.447 30.301 31.823 -0.126 0.000 0.646 163 V HN 0.637 nan 8.190 nan 0.000 0.447 164 T N -0.373 114.137 114.554 -0.073 0.000 2.635 164 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 164 T C 1.947 176.625 174.700 -0.036 0.000 1.040 164 T CA 1.852 63.913 62.100 -0.065 0.000 1.156 164 T CB -0.267 68.571 68.868 -0.050 0.000 0.863 164 T HN 0.478 nan 8.240 nan 0.000 0.430 165 K N 0.562 120.952 120.400 -0.017 0.000 2.097 165 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 165 K C 2.457 179.065 176.600 0.012 0.000 1.049 165 K CA 1.151 57.437 56.287 -0.002 0.000 0.933 165 K CB -0.138 32.364 32.500 0.004 0.000 0.717 165 K HN 0.454 nan 8.250 nan 0.000 0.442 166 E N 1.082 121.297 120.200 0.025 0.000 2.051 166 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 166 E C 2.006 178.641 176.600 0.057 0.000 0.991 166 E CA 0.986 57.419 56.400 0.055 0.000 0.799 166 E CB 0.020 29.779 29.700 0.098 0.000 0.748 166 E HN 0.224 nan 8.360 nan 0.000 0.449 167 I N 1.034 121.625 120.570 0.034 0.000 2.226 167 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 167 I C 2.222 178.353 176.117 0.022 0.000 1.100 167 I CA 1.278 62.599 61.300 0.036 0.000 1.374 167 I CB -0.290 37.692 38.000 -0.030 0.000 1.057 167 I HN 0.154 nan 8.210 nan 0.000 0.413 168 E N 0.072 120.275 120.200 0.005 0.000 2.204 168 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 168 E C 2.083 178.690 176.600 0.012 0.000 0.990 168 E CA 1.895 58.297 56.400 0.003 0.000 0.821 168 E CB -0.069 29.628 29.700 -0.006 0.000 0.750 168 E HN 0.630 nan 8.360 nan 0.000 0.477 169 T N -2.567 111.999 114.554 0.019 0.000 3.034 169 T HA -0.019 4.331 4.350 -0.000 0.000 0.248 169 T C 2.034 176.750 174.700 0.026 0.000 1.040 169 T CA 0.976 63.089 62.100 0.020 0.000 1.107 169 T CB 0.144 69.025 68.868 0.020 0.000 0.932 169 T HN 0.147 nan 8.240 nan 0.000 0.474 170 T N -2.210 112.366 114.554 0.037 0.000 2.990 170 T HA 0.471 4.821 4.350 -0.000 0.000 0.250 170 T C 1.825 176.550 174.700 0.043 0.000 1.041 170 T CA 0.817 62.941 62.100 0.040 0.000 1.010 170 T CB -0.196 68.702 68.868 0.050 0.000 1.003 170 T HN 1.083 nan 8.240 nan 0.000 0.499 171 G N 0.110 108.939 108.800 0.047 0.000 2.132 171 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.234 171 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.234 171 G C 0.176 175.120 174.900 0.073 0.000 0.989 171 G CA 0.531 45.660 45.100 0.049 0.000 0.676 171 G HN 1.142 nan 8.290 nan 0.000 0.522 172 T N -1.759 112.861 114.554 0.110 0.000 2.669 172 T HA 0.609 4.959 4.350 -0.000 0.000 0.283 172 T C -1.891 172.986 174.700 0.295 0.000 1.967 172 T CA 0.606 62.816 62.100 0.183 0.000 0.941 172 T CB 0.684 69.605 68.868 0.087 0.000 2.124 172 T HN 1.866 nan 8.240 nan 0.000 0.439 173 Y N -0.256 120.056 120.300 0.020 0.000 2.641 173 Y HA 0.759 5.309 4.550 -0.000 0.000 0.333 173 Y C -1.588 174.336 175.900 0.039 0.000 1.174 173 Y CA -1.185 56.936 58.100 0.036 0.000 1.057 173 Y CB 0.716 39.211 38.460 0.058 0.000 1.322 173 Y HN 0.528 nan 8.280 nan 0.000 0.457 174 Q N 2.704 122.482 119.800 -0.038 0.000 2.245 174 Q HA 0.556 4.896 4.340 -0.000 0.000 0.256 174 Q C -0.820 175.146 176.000 -0.057 0.000 0.942 174 Q CA -0.850 54.885 55.803 -0.113 0.000 0.896 174 Q CB 2.885 31.617 28.738 -0.010 0.000 1.272 174 Q HN 0.858 nan 8.270 nan 0.000 0.442 175 L N 1.176 122.354 121.223 -0.075 0.000 2.399 175 L HA 0.361 4.700 4.340 -0.000 0.000 0.266 175 L C 1.011 177.904 176.870 0.038 0.000 1.114 175 L CA -0.550 54.306 54.840 0.028 0.000 0.804 175 L CB 1.074 43.142 42.059 0.014 0.000 1.146 175 L HN 0.703 nan 8.230 nan 0.000 0.451 176 T N -1.324 113.255 114.554 0.042 0.000 2.849 176 T HA 0.150 4.500 4.350 -0.000 0.000 0.284 176 T C 0.897 175.587 174.700 -0.015 0.000 1.004 176 T CA -0.714 61.396 62.100 0.017 0.000 1.021 176 T CB 1.095 69.973 68.868 0.018 0.000 1.013 176 T HN 0.451 nan 8.240 nan 0.000 0.527 177 L N 0.737 121.952 121.223 -0.013 0.000 2.042 177 L HA 0.001 4.340 4.340 -0.000 0.000 0.210 177 L C 1.836 178.691 176.870 -0.025 0.000 1.076 177 L CA 1.996 56.820 54.840 -0.027 0.000 0.749 177 L CB -1.242 40.803 42.059 -0.022 0.000 0.893 177 L HN 0.791 nan 8.230 nan 0.000 0.432 178 D N -0.801 119.589 120.400 -0.016 0.000 2.219 178 D HA -0.143 4.497 4.640 -0.000 0.000 0.205 178 D C 2.084 178.359 176.300 -0.042 0.000 0.970 178 D CA 1.074 55.085 54.000 0.019 0.000 0.851 178 D CB 0.107 40.954 40.800 0.079 0.000 0.943 178 D HN 0.501 nan 8.370 nan 0.000 0.488 179 E N -0.318 119.743 120.200 -0.232 0.000 2.072 179 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 179 E C 1.846 178.539 176.600 0.155 0.000 0.982 179 E CA 0.263 56.498 56.400 -0.275 0.000 0.803 179 E CB 0.017 29.601 29.700 -0.192 0.000 0.755 179 E HN 0.137 nan 8.360 nan 0.000 0.453 180 L N 1.128 122.368 121.223 0.029 0.000 2.046 180 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 180 L C 1.973 178.828 176.870 -0.024 0.000 1.077 180 L CA 1.528 56.334 54.840 -0.057 0.000 0.747 180 L CB -0.199 41.777 42.059 -0.138 0.000 0.896 180 L HN 0.131 nan 8.230 nan 0.000 0.432 181 I N -1.396 119.189 120.570 0.025 0.000 2.226 181 I HA -0.312 3.857 4.170 -0.000 0.000 0.245 181 I C 2.363 178.570 176.117 0.150 0.000 1.100 181 I CA 1.579 62.904 61.300 0.041 0.000 1.374 181 I CB -0.452 37.572 38.000 0.040 0.000 1.057 181 I HN 0.320 nan 8.210 nan 0.000 0.413 182 F N 1.986 122.005 119.950 0.115 0.000 2.102 182 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 182 F C 2.513 178.440 175.800 0.211 0.000 1.105 182 F CA 1.531 59.665 58.000 0.223 0.000 1.239 182 F CB -0.394 38.812 39.000 0.343 0.000 0.991 182 F HN -0.006 nan 8.300 nan 0.000 0.474 183 A N 0.047 123.035 122.820 0.280 0.000 1.908 183 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 183 A C 2.263 179.764 177.584 -0.139 0.000 1.181 183 A CA 2.747 54.810 52.037 0.045 0.000 0.627 183 A CB -1.734 17.214 19.000 -0.087 0.000 0.818 183 A HN 0.579 nan 8.150 nan 0.000 0.445 184 T N -2.152 112.343 114.554 -0.097 0.000 2.867 184 T HA -0.091 4.258 4.350 -0.000 0.000 0.268 184 T C 1.755 176.492 174.700 0.061 0.000 1.057 184 T CA 1.600 63.666 62.100 -0.058 0.000 1.136 184 T CB -0.247 68.593 68.868 -0.046 0.000 0.874 184 T HN 0.555 nan 8.240 nan 0.000 0.466 185 K N -0.003 120.441 120.400 0.074 0.000 2.116 185 K HA 0.194 4.514 4.320 -0.000 0.000 0.203 185 K C 2.432 179.105 176.600 0.122 0.000 1.052 185 K CA 0.764 57.193 56.287 0.236 0.000 0.952 185 K CB -0.139 32.518 32.500 0.263 0.000 0.729 185 K HN 0.225 nan 8.250 nan 0.000 0.446 186 M N 0.578 120.078 119.600 -0.167 0.000 2.132 186 M HA -0.045 4.435 4.480 -0.000 0.000 0.263 186 M C 2.398 178.568 176.300 -0.216 0.000 1.065 186 M CA 1.276 56.386 55.300 -0.316 0.000 1.122 186 M CB -0.908 31.404 32.600 -0.479 0.000 1.365 186 M HN 0.134 nan 8.290 nan 0.000 0.411 187 A N -0.725 121.954 122.820 -0.235 0.000 1.933 187 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 187 A C 1.995 179.498 177.584 -0.135 0.000 1.175 187 A CA 1.414 53.209 52.037 -0.405 0.000 0.628 187 A CB -1.108 17.289 19.000 -1.004 0.000 0.814 187 A HN 0.673 nan 8.150 nan 0.000 0.444 188 W N 0.951 122.196 121.300 -0.092 0.000 2.379 188 W HA -0.107 4.553 4.660 -0.000 0.000 0.307 188 W C 2.283 178.718 176.519 -0.140 0.000 1.200 188 W CA 1.471 58.782 57.345 -0.055 0.000 1.297 188 W CB -0.659 28.762 29.460 -0.064 0.000 1.140 188 W HN 0.357 nan 8.180 nan 0.000 0.507 189 R N 0.352 120.786 120.500 -0.110 0.000 2.120 189 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 189 R C 1.043 177.203 176.300 -0.233 0.000 1.123 189 R CA 1.659 57.531 56.100 -0.380 0.000 0.975 189 R CB -0.478 29.410 30.300 -0.687 0.000 0.866 189 R HN 0.052 nan 8.270 nan 0.000 0.446 190 N N 0.093 118.697 118.700 -0.160 0.000 2.276 190 N HA 0.074 4.814 4.740 -0.000 0.000 0.212 190 N C -0.922 174.534 175.510 -0.091 0.000 1.127 190 N CA 0.308 53.305 53.050 -0.088 0.000 0.834 190 N CB 1.314 39.803 38.487 0.003 0.000 1.014 190 N HN 0.132 nan 8.380 nan 0.000 0.491 191 A N 2.117 124.857 122.820 -0.133 0.000 2.506 191 A HA 0.297 4.617 4.320 -0.000 0.000 0.320 191 A C -1.080 176.444 177.584 -0.099 0.000 1.424 191 A CA -1.209 50.701 52.037 -0.212 0.000 1.044 191 A CB 0.561 19.480 19.000 -0.134 0.000 1.140 191 A HN -0.031 nan 8.150 nan 0.000 0.538 192 P HA -0.171 nan 4.420 nan 0.000 0.223 192 P C 0.756 178.018 177.300 -0.063 0.000 1.144 192 P CA 1.091 64.157 63.100 -0.056 0.000 0.783 192 P CB 0.203 31.866 31.700 -0.061 0.000 0.771 193 R N -1.570 118.861 120.500 -0.116 0.000 2.334 193 R HA 0.172 4.511 4.340 -0.000 0.000 0.216 193 R C 0.535 176.852 176.300 0.028 0.000 0.905 193 R CA -0.218 55.840 56.100 -0.070 0.000 1.064 193 R CB -0.200 29.859 30.300 -0.402 0.000 1.046 193 R HN 0.144 nan 8.270 nan 0.000 0.508 194 C N 0.955 120.243 119.300 -0.021 0.000 2.285 194 C HA 0.288 4.748 4.460 -0.000 0.000 0.335 194 C C 1.688 176.644 174.990 -0.058 0.000 1.267 194 C CA -0.825 58.205 59.018 0.021 0.000 1.762 194 C CB -0.316 27.489 27.740 0.109 0.000 2.365 194 C HN 0.462 nan 8.230 nan 0.000 0.527 195 I N 4.611 125.130 120.570 -0.086 0.000 3.059 195 I HA 0.227 4.397 4.170 -0.000 0.000 0.270 195 I C 1.918 178.067 176.117 0.054 0.000 1.238 195 I CA 1.351 62.543 61.300 -0.179 0.000 1.478 195 I CB 0.010 37.926 38.000 -0.139 0.000 1.097 195 I HN 0.857 nan 8.210 nan 0.000 0.455 196 G N -0.156 108.688 108.800 0.073 0.000 3.609 196 G HA2 0.066 4.026 3.960 -0.000 0.000 0.280 196 G HA3 0.066 4.026 3.960 -0.000 0.000 0.280 196 G C 1.220 176.112 174.900 -0.012 0.000 1.155 196 G CA -0.381 44.759 45.100 0.068 0.000 0.876 196 G HN 0.219 nan 8.290 nan 0.000 0.535 197 R N -0.191 120.216 120.500 -0.155 0.000 2.357 197 R HA 0.136 4.476 4.340 -0.000 0.000 0.202 197 R C 1.912 177.675 176.300 -0.894 0.000 1.047 197 R CA 0.097 55.777 56.100 -0.701 0.000 1.034 197 R CB -0.082 29.829 30.300 -0.649 0.000 0.875 197 R HN 0.471 nan 8.270 nan 0.000 0.473 198 I N 0.730 120.983 120.570 -0.528 0.000 2.756 198 I HA -0.206 3.964 4.170 -0.000 0.000 0.262 198 I C 1.243 177.236 176.117 -0.206 0.000 1.225 198 I CA 1.091 62.243 61.300 -0.246 0.000 1.472 198 I CB 0.200 38.198 38.000 -0.003 0.000 1.094 198 I HN 0.165 nan 8.210 nan 0.000 0.454 199 Q N 0.610 120.206 119.800 -0.340 0.000 2.403 199 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 199 Q C 1.605 177.173 176.000 -0.721 0.000 0.932 199 Q CA 0.331 55.945 55.803 -0.315 0.000 0.945 199 Q CB -0.205 28.515 28.738 -0.028 0.000 1.045 199 Q HN 0.778 nan 8.270 nan 0.000 0.511 200 W N 1.130 121.664 121.300 -1.277 0.000 2.313 200 W HA -0.250 4.410 4.660 -0.000 0.000 0.293 200 W C 1.310 177.597 176.519 -0.386 0.000 1.216 200 W CA 1.616 58.175 57.345 -1.312 0.000 1.223 200 W CB -1.378 27.482 29.460 -1.000 0.000 1.138 200 W HN 0.188 nan 8.180 nan 0.000 0.535 201 S N 0.878 115.809 115.700 -1.282 0.000 2.489 201 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 201 S C 0.320 174.695 174.600 -0.374 0.000 0.995 201 S CA 0.418 58.016 58.200 -1.002 0.000 0.934 201 S CB -0.787 61.707 63.200 -1.177 0.000 0.771 201 S HN 0.181 nan 8.310 nan 0.000 0.522 202 N N 1.678 120.255 118.700 -0.205 0.000 2.767 202 N HA 0.583 5.323 4.740 -0.000 0.000 0.238 202 N C -1.418 174.169 175.510 0.129 0.000 1.083 202 N CA -0.245 52.795 53.050 -0.017 0.000 0.964 202 N CB 1.150 39.660 38.487 0.039 0.000 1.252 202 N HN 0.290 nan 8.380 nan 0.000 0.512 203 L N 1.660 122.919 121.223 0.060 0.000 2.476 203 L HA 0.375 4.715 4.340 -0.000 0.000 0.269 203 L C -1.002 175.798 176.870 -0.116 0.000 0.965 203 L CA -0.765 54.093 54.840 0.030 0.000 0.845 203 L CB 1.830 43.953 42.059 0.107 0.000 1.259 203 L HN 0.268 nan 8.230 nan 0.000 0.403 204 Q N 3.073 122.748 119.800 -0.208 0.000 2.288 204 Q HA 0.559 4.899 4.340 -0.000 0.000 0.258 204 Q C -1.570 174.044 176.000 -0.644 0.000 0.957 204 Q CA 0.032 55.547 55.803 -0.480 0.000 0.919 204 Q CB 1.272 29.607 28.738 -0.671 0.000 1.185 204 Q HN 0.500 nan 8.270 nan 0.000 0.408 205 V N 5.875 125.401 119.914 -0.647 0.000 2.409 205 V HA 0.445 4.564 4.120 -0.000 0.000 0.291 205 V C -0.899 174.801 176.094 -0.656 0.000 1.020 205 V CA -0.620 61.359 62.300 -0.535 0.000 0.848 205 V CB 0.870 32.518 31.823 -0.291 0.000 0.990 205 V HN 0.652 nan 8.190 nan 0.000 0.430 206 F N 2.572 122.341 119.950 -0.303 0.000 2.361 206 F HA 0.391 4.918 4.527 -0.000 0.000 0.364 206 F C 0.372 175.979 175.800 -0.323 0.000 1.117 206 F CA -1.178 56.642 58.000 -0.300 0.000 1.071 206 F CB 1.144 39.953 39.000 -0.318 0.000 1.188 206 F HN 0.456 nan 8.300 nan 0.000 0.464 207 D N 3.225 123.568 120.400 -0.095 0.000 2.393 207 D HA 0.407 5.047 4.640 -0.000 0.000 0.232 207 D C 0.115 176.271 176.300 -0.240 0.000 1.192 207 D CA 0.083 53.981 54.000 -0.170 0.000 0.882 207 D CB 0.958 41.692 40.800 -0.110 0.000 1.038 207 D HN 0.579 nan 8.370 nan 0.000 0.499 208 A N 4.560 127.124 122.820 -0.427 0.000 2.701 208 A HA 0.180 4.500 4.320 -0.000 0.000 0.297 208 A C 1.468 178.897 177.584 -0.258 0.000 1.197 208 A CA -0.447 51.244 52.037 -0.577 0.000 0.963 208 A CB -0.010 18.242 19.000 -1.245 0.000 1.175 208 A HN 0.551 nan 8.150 nan 0.000 0.531 209 R N 0.260 120.666 120.500 -0.156 0.000 2.339 209 R HA -0.097 4.243 4.340 -0.000 0.000 0.199 209 R C 1.076 177.340 176.300 -0.060 0.000 1.018 209 R CA 1.345 57.398 56.100 -0.078 0.000 1.036 209 R CB -0.103 30.186 30.300 -0.018 0.000 0.899 209 R HN 0.826 nan 8.270 nan 0.000 0.473 210 N N -0.676 118.008 118.700 -0.027 0.000 2.409 210 N HA -0.054 4.686 4.740 -0.000 0.000 0.174 210 N C 0.619 176.178 175.510 0.082 0.000 1.037 210 N CA -0.122 52.946 53.050 0.030 0.000 0.898 210 N CB -0.175 38.345 38.487 0.056 0.000 1.010 210 N HN -0.011 nan 8.380 nan 0.000 0.445 211 C N 1.172 120.544 119.300 0.119 0.000 2.550 211 C HA 0.202 4.662 4.460 -0.000 0.000 0.406 211 C C 1.685 176.838 174.990 0.272 0.000 1.366 211 C CA 0.723 59.892 59.018 0.252 0.000 1.712 211 C CB -0.355 27.630 27.740 0.407 0.000 2.613 211 C HN 0.696 nan 8.230 nan 0.000 0.608 212 S N 1.580 117.479 115.700 0.331 0.000 2.648 212 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 212 S C 0.182 174.928 174.600 0.243 0.000 1.080 212 S CA 0.417 58.832 58.200 0.358 0.000 1.159 212 S CB -0.099 63.225 63.200 0.206 0.000 1.091 212 S HN 1.069 nan 8.310 nan 0.000 0.605 213 T N -1.242 113.423 114.554 0.185 0.000 2.924 213 T HA 0.850 5.200 4.350 -0.000 0.000 0.291 213 T C 1.258 175.983 174.700 0.041 0.000 1.045 213 T CA -0.196 61.953 62.100 0.081 0.000 1.015 213 T CB 1.525 70.440 68.868 0.079 0.000 1.103 213 T HN 0.251 nan 8.240 nan 0.000 0.496 214 A N 0.835 123.647 122.820 -0.013 0.000 1.908 214 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 214 A C 2.305 179.796 177.584 -0.155 0.000 1.181 214 A CA 2.225 54.224 52.037 -0.064 0.000 0.627 214 A CB -1.258 17.781 19.000 0.065 0.000 0.818 214 A HN 0.920 nan 8.150 nan 0.000 0.445 215 Q N 0.122 119.920 119.800 -0.004 0.000 2.124 215 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 215 Q C 1.747 177.759 176.000 0.020 0.000 0.977 215 Q CA 2.300 58.104 55.803 0.001 0.000 0.850 215 Q CB -0.392 28.436 28.738 0.151 0.000 0.901 215 Q HN 0.757 nan 8.270 nan 0.000 0.429 216 E N -0.685 119.546 120.200 0.051 0.000 2.106 216 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 216 E C 1.975 178.672 176.600 0.161 0.000 0.984 216 E CA 1.200 57.648 56.400 0.080 0.000 0.806 216 E CB -0.084 29.709 29.700 0.156 0.000 0.750 216 E HN 0.460 nan 8.360 nan 0.000 0.458 217 M N -0.084 119.596 119.600 0.133 0.000 2.067 217 M HA -0.149 4.330 4.480 -0.000 0.000 0.260 217 M C 2.171 178.523 176.300 0.086 0.000 1.069 217 M CA 1.267 56.640 55.300 0.122 0.000 1.117 217 M CB -0.321 32.130 32.600 -0.250 0.000 1.334 217 M HN 0.133 nan 8.290 nan 0.000 0.407 218 F N 1.413 121.172 119.950 -0.319 0.000 2.087 218 F HA -0.327 4.200 4.527 -0.000 0.000 0.299 218 F C 2.295 177.994 175.800 -0.168 0.000 1.100 218 F CA 2.054 59.811 58.000 -0.405 0.000 1.226 218 F CB -0.548 37.920 39.000 -0.886 0.000 0.983 218 F HN 0.172 nan 8.300 nan 0.000 0.479 219 Q N -1.045 118.613 119.800 -0.236 0.000 2.050 219 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 219 Q C 2.304 178.136 176.000 -0.280 0.000 0.980 219 Q CA 1.729 57.338 55.803 -0.324 0.000 0.840 219 Q CB -0.416 28.191 28.738 -0.218 0.000 0.898 219 Q HN 0.522 nan 8.270 nan 0.000 0.424 220 H N 0.028 119.056 119.070 -0.069 0.000 2.353 220 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 220 H C 2.138 177.410 175.328 -0.093 0.000 1.090 220 H CA 1.337 57.346 56.048 -0.065 0.000 1.327 220 H CB -0.116 29.704 29.762 0.097 0.000 1.383 220 H HN 0.260 nan 8.280 nan 0.000 0.508 221 I N -0.114 120.511 120.570 0.092 0.000 2.286 221 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 221 I C 2.645 178.677 176.117 -0.141 0.000 1.115 221 I CA 0.784 62.080 61.300 -0.006 0.000 1.392 221 I CB -0.159 37.833 38.000 -0.012 0.000 1.065 221 I HN 0.218 nan 8.210 nan 0.000 0.418 222 C N 0.355 119.474 119.300 -0.302 0.000 2.440 222 C HA -0.136 4.324 4.460 -0.000 0.000 0.278 222 C C 2.956 177.838 174.990 -0.180 0.000 1.295 222 C CA 1.086 59.919 59.018 -0.308 0.000 1.738 222 C CB -1.065 26.375 27.740 -0.500 0.000 1.987 222 C HN 0.519 nan 8.230 nan 0.000 0.492 223 R N 0.817 121.197 120.500 -0.201 0.000 2.081 223 R HA -0.158 4.181 4.340 -0.000 0.000 0.235 223 R C 2.031 178.216 176.300 -0.192 0.000 1.131 223 R CA 2.312 58.284 56.100 -0.213 0.000 0.960 223 R CB -1.201 28.911 30.300 -0.313 0.000 0.856 223 R HN 0.753 nan 8.270 nan 0.000 0.436 224 H N -0.292 118.583 119.070 -0.325 0.000 2.290 224 H HA -0.067 4.489 4.556 -0.000 0.000 0.298 224 H C 1.924 177.268 175.328 0.027 0.000 1.087 224 H CA 2.243 58.180 56.048 -0.185 0.000 1.291 224 H CB -0.053 29.653 29.762 -0.094 0.000 1.369 224 H HN 0.250 nan 8.280 nan 0.000 0.492 225 I N 0.220 120.890 120.570 0.166 0.000 2.208 225 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 225 I C 2.499 178.685 176.117 0.115 0.000 1.097 225 I CA 0.921 62.281 61.300 0.100 0.000 1.363 225 I CB -0.232 37.755 38.000 -0.022 0.000 1.051 225 I HN 0.338 nan 8.210 nan 0.000 0.413 226 L N 0.129 121.395 121.223 0.071 0.000 2.046 226 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 226 L C 2.471 179.403 176.870 0.104 0.000 1.077 226 L CA 1.866 56.740 54.840 0.057 0.000 0.747 226 L CB -0.873 41.196 42.059 0.017 0.000 0.896 226 L HN 0.259 nan 8.230 nan 0.000 0.432 227 Y N -0.026 120.305 120.300 0.053 0.000 2.220 227 Y HA -0.063 4.487 4.550 -0.000 0.000 0.291 227 Y C 2.347 178.329 175.900 0.137 0.000 1.129 227 Y CA 1.634 59.800 58.100 0.109 0.000 1.161 227 Y CB -0.510 38.071 38.460 0.202 0.000 0.997 227 Y HN 0.204 nan 8.280 nan 0.000 0.522 228 A N -0.781 122.259 122.820 0.366 0.000 1.930 228 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 228 A C 2.181 179.844 177.584 0.132 0.000 1.175 228 A CA 2.088 54.296 52.037 0.284 0.000 0.627 228 A CB -1.202 18.043 19.000 0.407 0.000 0.815 228 A HN 0.500 nan 8.150 nan 0.000 0.443 229 T N -0.243 114.372 114.554 0.103 0.000 2.812 229 T HA -0.083 4.266 4.350 -0.000 0.000 0.264 229 T C 1.107 175.815 174.700 0.014 0.000 1.042 229 T CA 1.157 63.300 62.100 0.070 0.000 1.140 229 T CB -0.383 68.520 68.868 0.058 0.000 0.870 229 T HN 0.643 nan 8.240 nan 0.000 0.445 230 N N 1.954 120.632 118.700 -0.036 0.000 2.708 230 N HA -0.281 4.459 4.740 -0.000 0.000 0.251 230 N C 0.133 175.616 175.510 -0.046 0.000 1.017 230 N CA 0.932 53.932 53.050 -0.082 0.000 0.742 230 N CB -2.153 36.242 38.487 -0.154 0.000 0.943 230 N HN 0.634 nan 8.380 nan 0.000 0.539 231 N N -1.801 116.885 118.700 -0.023 0.000 2.725 231 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 231 N C 0.882 176.379 175.510 -0.022 0.000 1.103 231 N CA 1.327 54.365 53.050 -0.020 0.000 0.707 231 N CB -1.235 37.237 38.487 -0.025 0.000 1.043 231 N HN 1.102 nan 8.380 nan 0.000 0.553 232 G N -0.094 108.700 108.800 -0.010 0.000 2.307 232 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.210 232 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.210 232 G C -0.027 174.868 174.900 -0.009 0.000 1.005 232 G CA 0.200 45.295 45.100 -0.009 0.000 0.634 232 G HN 0.483 nan 8.290 nan 0.000 0.496 233 N N 2.236 120.918 118.700 -0.030 0.000 3.124 233 N HA 0.268 5.008 4.740 -0.000 0.000 0.284 233 N C 0.872 176.366 175.510 -0.027 0.000 1.209 233 N CA -0.468 52.550 53.050 -0.053 0.000 1.149 233 N CB -0.531 37.916 38.487 -0.066 0.000 1.434 233 N HN 0.348 nan 8.380 nan 0.000 0.529 234 I N 1.700 122.287 120.570 0.028 0.000 2.989 234 I HA -0.163 4.007 4.170 -0.000 0.000 0.311 234 I C 0.866 177.109 176.117 0.210 0.000 1.221 234 I CA 0.901 62.288 61.300 0.145 0.000 1.449 234 I CB -0.318 37.851 38.000 0.281 0.000 1.325 234 I HN 0.222 nan 8.210 nan 0.000 0.557 235 R N 3.968 124.586 120.500 0.197 0.000 2.534 235 R HA 0.387 4.727 4.340 -0.000 0.000 0.301 235 R C -0.408 176.056 176.300 0.274 0.000 0.961 235 R CA -0.658 55.579 56.100 0.228 0.000 0.871 235 R CB 1.933 32.252 30.300 0.031 0.000 1.170 235 R HN 0.550 nan 8.270 nan 0.000 0.446 236 S N 1.509 117.351 115.700 0.236 0.000 2.531 236 S HA 0.511 4.980 4.470 -0.000 0.000 0.279 236 S C -0.335 174.283 174.600 0.029 0.000 1.305 236 S CA -0.267 57.965 58.200 0.053 0.000 1.058 236 S CB 1.268 64.412 63.200 -0.094 0.000 0.899 236 S HN 0.698 nan 8.310 nan 0.000 0.493 237 A N 2.840 125.638 122.820 -0.036 0.000 2.610 237 A HA 0.842 5.162 4.320 -0.000 0.000 0.291 237 A C -1.337 176.146 177.584 -0.167 0.000 1.086 237 A CA -0.668 51.249 52.037 -0.201 0.000 0.677 237 A CB 1.179 20.019 19.000 -0.266 0.000 1.278 237 A HN 0.791 nan 8.150 nan 0.000 0.414 238 I N 0.191 120.615 120.570 -0.244 0.000 2.722 238 I HA 0.633 4.803 4.170 -0.000 0.000 0.295 238 I C -1.201 174.890 176.117 -0.043 0.000 1.161 238 I CA -0.139 61.154 61.300 -0.012 0.000 1.032 238 I CB 2.450 40.427 38.000 -0.038 0.000 1.244 238 I HN 0.599 nan 8.210 nan 0.000 0.421 239 T N 6.196 120.804 114.554 0.090 0.000 2.791 239 T HA 0.438 4.788 4.350 -0.000 0.000 0.288 239 T C -0.744 173.769 174.700 -0.311 0.000 0.999 239 T CA -0.348 61.694 62.100 -0.097 0.000 0.952 239 T CB 1.448 70.284 68.868 -0.054 0.000 0.938 239 T HN 0.254 nan 8.240 nan 0.000 0.444 240 V N 5.199 124.879 119.914 -0.390 0.000 2.350 240 V HA 0.479 4.599 4.120 -0.000 0.000 0.276 240 V C -0.361 175.485 176.094 -0.413 0.000 1.028 240 V CA -0.698 61.398 62.300 -0.340 0.000 0.860 240 V CB 0.027 31.631 31.823 -0.365 0.000 0.990 240 V HN 0.700 nan 8.190 nan 0.000 0.453 241 F N 5.139 125.079 119.950 -0.016 0.000 2.364 241 F HA 0.526 5.053 4.527 -0.000 0.000 0.316 241 F C -1.856 173.872 175.800 -0.121 0.000 1.133 241 F CA -2.486 55.434 58.000 -0.133 0.000 1.051 241 F CB 0.294 39.232 39.000 -0.104 0.000 1.342 241 F HN 0.290 nan 8.300 nan 0.000 0.507 242 P HA -0.020 nan 4.420 nan 0.000 0.264 242 P C -1.012 176.181 177.300 -0.178 0.000 1.183 242 P CA -0.015 62.921 63.100 -0.273 0.000 0.763 242 P CB 0.160 31.496 31.700 -0.607 0.000 0.807 243 Q N 3.261 122.870 119.800 -0.318 0.000 2.492 243 Q HA 0.100 4.440 4.340 -0.000 0.000 0.238 243 Q C 0.158 175.951 176.000 -0.345 0.000 1.045 243 Q CA -0.478 54.866 55.803 -0.765 0.000 0.934 243 Q CB 0.721 28.790 28.738 -1.116 0.000 1.276 243 Q HN 0.339 nan 8.270 nan 0.000 0.521 244 R N 0.714 121.029 120.500 -0.308 0.000 2.543 244 R HA 0.042 4.382 4.340 -0.000 0.000 0.277 244 R C 0.123 176.367 176.300 -0.093 0.000 1.074 244 R CA 0.697 56.732 56.100 -0.109 0.000 1.076 244 R CB 0.635 30.887 30.300 -0.080 0.000 0.993 244 R HN 0.958 nan 8.270 nan 0.000 0.459 245 S N 1.976 117.673 115.700 -0.005 0.000 2.885 245 S HA -0.013 4.457 4.470 -0.000 0.000 0.172 245 S C 0.746 175.365 174.600 0.033 0.000 0.703 245 S CA 0.176 58.380 58.200 0.007 0.000 0.820 245 S CB -0.113 63.105 63.200 0.031 0.000 0.766 245 S HN 0.809 nan 8.310 nan 0.000 0.605 246 D N 0.258 120.706 120.400 0.081 0.000 2.369 246 D HA 0.297 4.937 4.640 -0.000 0.000 0.211 246 D C 1.375 177.707 176.300 0.054 0.000 1.077 246 D CA 0.687 54.730 54.000 0.072 0.000 0.842 246 D CB -0.209 40.653 40.800 0.105 0.000 0.947 246 D HN 0.905 nan 8.370 nan 0.000 0.509 247 G N 1.063 109.899 108.800 0.059 0.000 2.179 247 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 247 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 247 G C 0.912 175.816 174.900 0.007 0.000 0.977 247 G CA 0.474 45.592 45.100 0.031 0.000 0.641 247 G HN 0.461 nan 8.290 nan 0.000 0.533 248 K N -0.342 120.052 120.400 -0.011 0.000 2.358 248 K HA 0.214 4.534 4.320 -0.000 0.000 0.200 248 K C 0.582 176.971 176.600 -0.352 0.000 1.030 248 K CA -0.071 56.115 56.287 -0.169 0.000 1.097 248 K CB 0.374 32.744 32.500 -0.217 0.000 0.862 248 K HN 0.526 nan 8.250 nan 0.000 0.534 249 H N 0.744 119.838 119.070 0.040 0.000 2.575 249 H HA 0.162 4.718 4.556 -0.000 0.000 0.256 249 H C -0.686 174.704 175.328 0.103 0.000 1.162 249 H CA -0.561 55.518 56.048 0.052 0.000 0.969 249 H CB 0.444 30.252 29.762 0.077 0.000 1.796 249 H HN 0.059 nan 8.280 nan 0.000 0.607 250 D N 0.772 121.265 120.400 0.156 0.000 2.472 250 D HA -0.025 4.615 4.640 -0.000 0.000 0.237 250 D C 0.030 176.441 176.300 0.186 0.000 1.141 250 D CA 0.747 54.863 54.000 0.193 0.000 0.875 250 D CB 0.531 41.401 40.800 0.116 0.000 1.192 250 D HN 0.028 nan 8.370 nan 0.000 0.450 251 F N 2.347 122.331 119.950 0.056 0.000 2.408 251 F HA 0.415 4.942 4.527 -0.000 0.000 0.344 251 F C 0.852 176.676 175.800 0.041 0.000 1.112 251 F CA -0.321 57.689 58.000 0.015 0.000 1.096 251 F CB 0.908 39.904 39.000 -0.006 0.000 1.129 251 F HN -0.108 nan 8.300 nan 0.000 0.486 252 R N 3.377 123.963 120.500 0.145 0.000 2.668 252 R HA 0.538 4.878 4.340 -0.000 0.000 0.272 252 R C -1.856 174.585 176.300 0.235 0.000 1.019 252 R CA -1.121 55.098 56.100 0.199 0.000 0.894 252 R CB 2.260 32.699 30.300 0.230 0.000 1.228 252 R HN 0.473 nan 8.270 nan 0.000 0.460 253 L N 1.324 122.681 121.223 0.224 0.000 2.296 253 L HA 0.394 4.734 4.340 -0.000 0.000 0.286 253 L C 0.496 177.580 176.870 0.356 0.000 1.023 253 L CA -0.128 54.846 54.840 0.224 0.000 0.812 253 L CB 0.958 43.077 42.059 0.101 0.000 1.223 253 L HN 0.579 nan 8.230 nan 0.000 0.421 254 W N 0.629 121.978 121.300 0.081 0.000 3.139 254 W HA 0.124 4.783 4.660 -0.000 0.000 0.260 254 W C 0.443 176.936 176.519 -0.044 0.000 1.312 254 W CA -0.586 56.885 57.345 0.209 0.000 1.606 254 W CB -0.801 28.926 29.460 0.445 0.000 1.118 254 W HN 0.471 nan 8.180 nan 0.000 0.675 255 N N -0.555 118.119 118.700 -0.043 0.000 2.513 255 N HA 0.076 4.816 4.740 -0.000 0.000 0.274 255 N C 1.183 176.481 175.510 -0.354 0.000 1.189 255 N CA 0.366 53.095 53.050 -0.534 0.000 0.975 255 N CB 0.944 39.292 38.487 -0.232 0.000 1.157 255 N HN -0.279 nan 8.380 nan 0.000 0.465 256 S N 0.442 115.900 115.700 -0.403 0.000 2.345 256 S HA -0.062 4.408 4.470 -0.000 0.000 0.219 256 S C 0.284 174.787 174.600 -0.161 0.000 1.031 256 S CA 1.017 59.104 58.200 -0.188 0.000 0.984 256 S CB -0.106 63.029 63.200 -0.109 0.000 0.874 256 S HN 0.603 nan 8.310 nan 0.000 0.451 257 Q N -0.761 118.932 119.800 -0.179 0.000 2.484 257 Q HA 0.431 4.771 4.340 -0.000 0.000 0.285 257 Q C 0.052 175.924 176.000 -0.213 0.000 1.097 257 Q CA -0.880 54.812 55.803 -0.185 0.000 0.802 257 Q CB 1.152 29.818 28.738 -0.119 0.000 1.444 257 Q HN -0.049 nan 8.270 nan 0.000 0.429 258 L N 0.489 121.576 121.223 -0.228 0.000 1.989 258 L HA -0.008 4.332 4.340 -0.000 0.000 0.211 258 L C 0.707 177.428 176.870 -0.247 0.000 1.071 258 L CA 1.845 56.559 54.840 -0.210 0.000 0.749 258 L CB -0.104 41.815 42.059 -0.233 0.000 0.890 258 L HN 0.529 nan 8.230 nan 0.000 0.431 259 I N -0.467 119.874 120.570 -0.382 0.000 2.362 259 I HA 0.339 4.509 4.170 -0.000 0.000 0.289 259 I C -0.039 175.474 176.117 -1.007 0.000 0.994 259 I CA -0.341 60.579 61.300 -0.633 0.000 1.158 259 I CB 1.223 38.792 38.000 -0.717 0.000 1.315 259 I HN 0.083 nan 8.210 nan 0.000 0.451 260 R N 3.982 124.028 120.500 -0.756 0.000 2.734 260 R HA 0.497 4.837 4.340 -0.000 0.000 0.271 260 R C -1.727 174.360 176.300 -0.354 0.000 1.021 260 R CA -1.008 54.752 56.100 -0.566 0.000 0.893 260 R CB 2.429 32.630 30.300 -0.165 0.000 1.244 260 R HN 0.282 nan 8.270 nan 0.000 0.464 261 Y N 0.194 120.517 120.300 0.039 0.000 2.376 261 Y HA 0.515 5.065 4.550 -0.000 0.000 0.325 261 Y C 0.682 176.601 175.900 0.032 0.000 1.199 261 Y CA -0.704 57.450 58.100 0.090 0.000 1.206 261 Y CB 1.310 39.920 38.460 0.250 0.000 1.229 261 Y HN 0.649 nan 8.280 nan 0.000 0.480 262 A N 1.016 123.917 122.820 0.134 0.000 2.322 262 A HA 0.666 4.986 4.320 -0.000 0.000 0.269 262 A C 0.354 177.718 177.584 -0.368 0.000 1.094 262 A CA 0.157 52.075 52.037 -0.198 0.000 0.807 262 A CB -0.102 18.706 19.000 -0.320 0.000 1.047 262 A HN 0.889 nan 8.150 nan 0.000 0.487 263 G N 0.071 108.599 108.800 -0.454 0.000 2.530 263 G HA2 0.585 4.545 3.960 -0.000 0.000 0.316 263 G HA3 0.585 4.545 3.960 -0.000 0.000 0.316 263 G C -1.422 173.233 174.900 -0.407 0.000 1.298 263 G CA -0.271 44.623 45.100 -0.343 0.000 0.948 263 G HN 0.519 nan 8.290 nan 0.000 0.486 264 Y N 0.207 120.532 120.300 0.041 0.000 2.361 264 Y HA 0.436 4.986 4.550 -0.000 0.000 0.337 264 Y C 0.326 176.274 175.900 0.081 0.000 0.965 264 Y CA -0.980 57.162 58.100 0.070 0.000 1.091 264 Y CB 2.444 40.978 38.460 0.124 0.000 1.182 264 Y HN 0.503 nan 8.280 nan 0.000 0.450 265 Q N 4.347 124.285 119.800 0.228 0.000 2.361 265 Q HA 0.331 4.670 4.340 -0.000 0.000 0.250 265 Q C -0.598 175.491 176.000 0.149 0.000 1.023 265 Q CA -0.733 55.157 55.803 0.145 0.000 0.915 265 Q CB 0.508 29.303 28.738 0.095 0.000 1.238 265 Q HN 0.571 nan 8.270 nan 0.000 0.451 266 M N 4.453 124.124 119.600 0.119 0.000 2.207 266 M HA 0.109 4.589 4.480 -0.000 0.000 0.311 266 M C -1.600 174.716 176.300 0.028 0.000 1.127 266 M CA -2.098 53.240 55.300 0.063 0.000 1.181 266 M CB -0.669 31.950 32.600 0.031 0.000 1.409 266 M HN 0.433 nan 8.290 nan 0.000 0.461 267 P HA -0.206 nan 4.420 nan 0.000 0.213 267 P C 0.671 177.968 177.300 -0.005 0.000 1.170 267 P CA 1.754 64.846 63.100 -0.013 0.000 0.902 267 P CB -0.161 31.515 31.700 -0.040 0.000 0.789 268 D N -1.848 118.545 120.400 -0.011 0.000 2.280 268 D HA -0.121 4.519 4.640 -0.000 0.000 0.206 268 D C 1.532 177.834 176.300 0.004 0.000 0.988 268 D CA 1.974 55.970 54.000 -0.006 0.000 0.886 268 D CB -1.021 39.773 40.800 -0.009 0.000 0.914 268 D HN 0.374 nan 8.370 nan 0.000 0.473 269 G N -1.026 107.782 108.800 0.012 0.000 2.481 269 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.200 269 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.200 269 G C 0.539 175.453 174.900 0.023 0.000 1.012 269 G CA 0.214 45.325 45.100 0.019 0.000 0.676 269 G HN 0.859 nan 8.290 nan 0.000 0.488 270 T N 0.426 114.992 114.554 0.019 0.000 2.903 270 T HA 0.547 4.897 4.350 -0.000 0.000 0.314 270 T C 0.229 174.950 174.700 0.034 0.000 1.078 270 T CA 0.143 62.255 62.100 0.020 0.000 1.114 270 T CB 1.639 70.515 68.868 0.013 0.000 0.987 270 T HN 0.450 nan 8.240 nan 0.000 0.548 271 I N 1.629 122.213 120.570 0.023 0.000 2.392 271 I HA 0.525 4.695 4.170 -0.000 0.000 0.295 271 I C 0.341 176.467 176.117 0.015 0.000 0.985 271 I CA -0.716 60.601 61.300 0.028 0.000 1.221 271 I CB 1.705 39.703 38.000 -0.004 0.000 1.366 271 I HN 0.667 nan 8.210 nan 0.000 0.467 272 R N 3.802 124.347 120.500 0.074 0.000 2.387 272 R HA 0.773 5.113 4.340 -0.000 0.000 0.314 272 R C 0.109 176.415 176.300 0.010 0.000 0.958 272 R CA 0.428 56.575 56.100 0.077 0.000 0.846 272 R CB 0.990 31.422 30.300 0.219 0.000 1.147 272 R HN 0.902 nan 8.270 nan 0.000 0.447 273 G N 2.817 111.521 108.800 -0.159 0.000 2.484 273 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.225 273 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.225 273 G C -1.276 173.310 174.900 -0.524 0.000 1.250 273 G CA -0.062 44.882 45.100 -0.260 0.000 0.926 273 G HN 0.665 nan 8.290 nan 0.000 0.581 274 D N 1.604 121.884 120.400 -0.201 0.000 2.365 274 D HA 0.608 5.248 4.640 -0.000 0.000 0.237 274 D C 1.485 177.757 176.300 -0.045 0.000 1.190 274 D CA 0.827 54.772 54.000 -0.091 0.000 0.867 274 D CB 0.782 41.866 40.800 0.474 0.000 1.050 274 D HN 0.959 nan 8.370 nan 0.000 0.491 275 A N 4.009 126.772 122.820 -0.094 0.000 2.024 275 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 275 A C 2.086 179.694 177.584 0.040 0.000 1.164 275 A CA 1.782 53.804 52.037 -0.024 0.000 0.643 275 A CB -0.405 18.581 19.000 -0.023 0.000 0.806 275 A HN 0.638 nan 8.150 nan 0.000 0.451 276 A N -0.389 122.483 122.820 0.088 0.000 2.070 276 A HA -0.027 4.293 4.320 -0.000 0.000 0.220 276 A C 1.923 179.579 177.584 0.120 0.000 1.159 276 A CA 1.966 54.073 52.037 0.117 0.000 0.656 276 A CB -0.926 18.172 19.000 0.162 0.000 0.800 276 A HN 0.875 nan 8.150 nan 0.000 0.453 277 T N -3.085 111.536 114.554 0.111 0.000 3.258 277 T HA 0.518 4.868 4.350 -0.000 0.000 0.259 277 T C 1.070 175.808 174.700 0.063 0.000 0.963 277 T CA -0.230 61.941 62.100 0.120 0.000 0.919 277 T CB -0.236 68.717 68.868 0.142 0.000 1.110 277 T HN 0.227 nan 8.240 nan 0.000 0.550 278 L N 0.203 121.452 121.223 0.044 0.000 2.005 278 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 278 L C 2.986 179.857 176.870 0.003 0.000 1.072 278 L CA 1.476 56.323 54.840 0.013 0.000 0.744 278 L CB -0.354 41.723 42.059 0.029 0.000 0.895 278 L HN 0.411 nan 8.230 nan 0.000 0.433 279 E N -0.311 119.907 120.200 0.029 0.000 2.038 279 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 279 E C 2.096 178.598 176.600 -0.163 0.000 1.000 279 E CA 1.664 58.047 56.400 -0.028 0.000 0.803 279 E CB -0.103 29.638 29.700 0.069 0.000 0.750 279 E HN 0.316 nan 8.360 nan 0.000 0.448 280 F N 1.278 121.061 119.950 -0.278 0.000 2.113 280 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 280 F C 2.403 178.046 175.800 -0.261 0.000 1.103 280 F CA 1.708 59.486 58.000 -0.370 0.000 1.248 280 F CB -0.629 38.253 39.000 -0.197 0.000 0.999 280 F HN -0.064 nan 8.300 nan 0.000 0.475 281 T N -0.160 114.256 114.554 -0.230 0.000 2.684 281 T HA -0.282 4.068 4.350 -0.000 0.000 0.267 281 T C 1.771 176.338 174.700 -0.222 0.000 1.036 281 T CA 1.720 63.629 62.100 -0.317 0.000 1.148 281 T CB -0.402 68.334 68.868 -0.220 0.000 0.863 281 T HN 0.247 nan 8.240 nan 0.000 0.436 282 Q N 0.791 120.505 119.800 -0.142 0.000 2.135 282 Q HA -0.070 4.269 4.340 -0.000 0.000 0.204 282 Q C 2.092 178.000 176.000 -0.153 0.000 0.981 282 Q CA 1.252 57.006 55.803 -0.082 0.000 0.856 282 Q CB -0.713 27.991 28.738 -0.057 0.000 0.902 282 Q HN 0.504 nan 8.270 nan 0.000 0.425 283 L N -0.524 120.522 121.223 -0.295 0.000 2.017 283 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 283 L C 2.159 178.865 176.870 -0.274 0.000 1.073 283 L CA 1.950 56.607 54.840 -0.304 0.000 0.745 283 L CB -0.947 40.840 42.059 -0.453 0.000 0.894 283 L HN 0.370 nan 8.230 nan 0.000 0.432 284 C N -0.095 118.933 119.300 -0.454 0.000 2.413 284 C HA -0.178 4.282 4.460 -0.000 0.000 0.276 284 C C 2.712 177.700 174.990 -0.004 0.000 1.248 284 C CA 1.095 59.906 59.018 -0.344 0.000 1.742 284 C CB -1.091 26.257 27.740 -0.653 0.000 2.017 284 C HN 0.625 nan 8.230 nan 0.000 0.481 285 I N 1.149 121.768 120.570 0.082 0.000 2.208 285 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 285 I C 2.057 178.191 176.117 0.028 0.000 1.097 285 I CA 1.605 62.985 61.300 0.133 0.000 1.363 285 I CB -0.580 37.486 38.000 0.109 0.000 1.051 285 I HN 0.349 nan 8.210 nan 0.000 0.413 286 D N 0.777 121.163 120.400 -0.024 0.000 2.178 286 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 286 D C 1.996 178.266 176.300 -0.049 0.000 0.974 286 D CA 1.134 55.104 54.000 -0.049 0.000 0.841 286 D CB -0.161 40.591 40.800 -0.079 0.000 0.953 286 D HN 0.335 nan 8.370 nan 0.000 0.478 287 L N -0.549 120.651 121.223 -0.037 0.000 2.645 287 L HA 0.195 4.535 4.340 -0.000 0.000 0.235 287 L C 1.512 178.370 176.870 -0.020 0.000 1.150 287 L CA 0.359 55.180 54.840 -0.031 0.000 0.911 287 L CB -0.166 41.864 42.059 -0.048 0.000 1.077 287 L HN 0.141 nan 8.230 nan 0.000 0.438 288 G N -1.248 107.551 108.800 -0.001 0.000 2.195 288 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.224 288 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.224 288 G C -0.035 174.883 174.900 0.029 0.000 0.990 288 G CA -0.306 44.789 45.100 -0.008 0.000 0.639 288 G HN 0.331 nan 8.290 nan 0.000 0.514 289 W N 3.361 124.589 121.300 -0.120 0.000 2.193 289 W HA 0.574 5.234 4.660 -0.000 0.000 0.338 289 W C 0.316 176.781 176.519 -0.089 0.000 1.310 289 W CA -0.182 57.097 57.345 -0.110 0.000 1.243 289 W CB 0.638 30.022 29.460 -0.127 0.000 1.165 289 W HN -0.078 nan 8.180 nan 0.000 0.566 290 K N 8.534 128.446 120.400 -0.813 0.000 2.273 290 K HA 0.170 4.490 4.320 -0.000 0.000 0.287 290 K C -2.253 173.598 176.600 -1.249 0.000 1.089 290 K CA -1.620 54.212 56.287 -0.759 0.000 0.909 290 K CB 0.446 32.645 32.500 -0.501 0.000 1.123 290 K HN 0.313 nan 8.250 nan 0.000 0.473 291 P HA 0.128 nan 4.420 nan 0.000 0.266 291 P C -0.249 176.601 177.300 -0.751 0.000 1.215 291 P CA -0.120 62.410 63.100 -0.949 0.000 0.763 291 P CB 0.602 31.825 31.700 -0.795 0.000 0.806 292 R N 2.168 122.348 120.500 -0.534 0.000 2.334 292 R HA 0.124 4.464 4.340 -0.000 0.000 0.220 292 R C 0.182 176.394 176.300 -0.147 0.000 0.917 292 R CA -0.181 55.784 56.100 -0.225 0.000 1.073 292 R CB -0.823 29.435 30.300 -0.070 0.000 1.056 292 R HN 0.398 nan 8.270 nan 0.000 0.506 293 Y N -0.920 119.034 120.300 -0.576 0.000 3.515 293 Y HA -0.306 4.244 4.550 -0.000 0.000 0.214 293 Y C 1.206 177.036 175.900 -0.117 0.000 1.166 293 Y CA 0.617 58.239 58.100 -0.797 0.000 1.435 293 Y CB -1.944 36.191 38.460 -0.542 0.000 1.414 293 Y HN 0.287 nan 8.280 nan 0.000 0.608 294 G N -0.224 108.732 108.800 0.259 0.000 2.563 294 G HA2 0.356 4.316 3.960 -0.000 0.000 0.283 294 G HA3 0.356 4.316 3.960 -0.000 0.000 0.283 294 G C 0.766 175.792 174.900 0.210 0.000 1.309 294 G CA -0.184 45.050 45.100 0.224 0.000 1.022 294 G HN 0.376 nan 8.290 nan 0.000 0.501 295 R N -1.768 118.738 120.500 0.009 0.000 2.282 295 R HA 0.239 4.579 4.340 -0.000 0.000 0.195 295 R C -0.242 175.622 176.300 -0.728 0.000 0.909 295 R CA 0.193 56.110 56.100 -0.304 0.000 1.039 295 R CB 0.158 30.222 30.300 -0.393 0.000 1.015 295 R HN 0.334 nan 8.270 nan 0.000 0.513 296 F N 1.029 120.941 119.950 -0.064 0.000 2.566 296 F HA 0.300 4.827 4.527 -0.000 0.000 0.352 296 F C -1.237 174.500 175.800 -0.106 0.000 1.534 296 F CA -1.288 56.395 58.000 -0.528 0.000 1.097 296 F CB 0.885 39.456 39.000 -0.715 0.000 1.488 296 F HN -0.227 nan 8.300 nan 0.000 0.562 297 D N 1.659 122.232 120.400 0.289 0.000 2.313 297 D HA 0.219 4.859 4.640 -0.000 0.000 0.239 297 D C 0.263 176.841 176.300 0.463 0.000 1.142 297 D CA -0.034 54.207 54.000 0.401 0.000 0.847 297 D CB 2.335 43.411 40.800 0.460 0.000 1.082 297 D HN -0.055 nan 8.370 nan 0.000 0.480 298 V N 3.671 123.830 119.914 0.409 0.000 2.540 298 V HA -0.056 4.063 4.120 -0.000 0.000 0.297 298 V C 1.115 177.274 176.094 0.109 0.000 1.024 298 V CA -0.043 62.378 62.300 0.202 0.000 1.105 298 V CB -0.005 31.886 31.823 0.113 0.000 0.938 298 V HN 0.349 nan 8.190 nan 0.000 0.482 299 L N 8.221 129.407 121.223 -0.061 0.000 2.472 299 L HA 0.328 4.668 4.340 -0.000 0.000 0.260 299 L C -1.695 175.021 176.870 -0.256 0.000 1.209 299 L CA -1.274 53.384 54.840 -0.303 0.000 0.817 299 L CB 0.560 42.503 42.059 -0.194 0.000 1.106 299 L HN 0.488 nan 8.230 nan 0.000 0.479 300 P HA 0.179 nan 4.420 nan 0.000 0.281 300 P C -1.139 176.136 177.300 -0.041 0.000 1.264 300 P CA -0.697 62.271 63.100 -0.220 0.000 0.824 300 P CB 1.263 32.729 31.700 -0.390 0.000 1.092 301 L N 1.554 122.836 121.223 0.098 0.000 2.319 301 L HA 0.194 4.534 4.340 -0.000 0.000 0.280 301 L C -0.051 176.929 176.870 0.183 0.000 1.099 301 L CA -0.181 54.761 54.840 0.171 0.000 0.828 301 L CB 0.620 42.832 42.059 0.256 0.000 1.150 301 L HN 0.090 nan 8.230 nan 0.000 0.442 302 V N 6.467 126.491 119.914 0.185 0.000 2.293 302 V HA 0.395 4.515 4.120 -0.000 0.000 0.275 302 V C 0.075 176.165 176.094 -0.007 0.000 1.021 302 V CA -0.588 61.756 62.300 0.074 0.000 0.815 302 V CB 1.071 32.972 31.823 0.130 0.000 1.025 302 V HN 0.475 nan 8.190 nan 0.000 0.448 303 L N 4.411 125.615 121.223 -0.031 0.000 2.317 303 L HA 0.638 4.978 4.340 -0.000 0.000 0.281 303 L C -0.109 176.614 176.870 -0.246 0.000 1.024 303 L CA -0.390 54.385 54.840 -0.108 0.000 0.810 303 L CB 1.718 43.714 42.059 -0.106 0.000 1.240 303 L HN 0.583 nan 8.230 nan 0.000 0.427 304 Q N 2.492 122.152 119.800 -0.234 0.000 2.341 304 Q HA 0.684 5.024 4.340 -0.000 0.000 0.268 304 Q C -1.383 174.388 176.000 -0.382 0.000 1.013 304 Q CA -0.573 55.065 55.803 -0.274 0.000 0.798 304 Q CB 2.021 30.706 28.738 -0.088 0.000 1.253 304 Q HN 0.786 nan 8.270 nan 0.000 0.457 305 A N 3.762 126.279 122.820 -0.506 0.000 2.331 305 A HA 0.454 4.774 4.320 -0.000 0.000 0.320 305 A C -0.366 176.705 177.584 -0.856 0.000 1.138 305 A CA -0.323 51.101 52.037 -1.022 0.000 0.790 305 A CB 0.986 19.610 19.000 -0.626 0.000 1.206 305 A HN 0.992 nan 8.150 nan 0.000 0.470 306 D N 1.496 121.144 120.400 -1.253 0.000 2.689 306 D HA -0.118 4.521 4.640 -0.000 0.000 0.237 306 D C 1.267 177.529 176.300 -0.064 0.000 1.148 306 D CA 2.614 56.452 54.000 -0.271 0.000 0.656 306 D CB -1.024 39.745 40.800 -0.051 0.000 1.050 306 D HN 2.030 nan 8.370 nan 0.000 0.426 307 G N -0.401 108.335 108.800 -0.106 0.000 2.200 307 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.268 307 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.268 307 G C 0.404 175.289 174.900 -0.025 0.000 0.986 307 G CA 1.034 46.105 45.100 -0.050 0.000 0.677 307 G HN 0.650 nan 8.290 nan 0.000 0.532 308 Q N 0.594 120.341 119.800 -0.089 0.000 2.417 308 Q HA 0.455 4.795 4.340 -0.000 0.000 0.241 308 Q C 0.341 176.279 176.000 -0.104 0.000 1.008 308 Q CA -0.183 55.575 55.803 -0.075 0.000 0.901 308 Q CB 0.378 29.049 28.738 -0.112 0.000 1.259 308 Q HN 0.349 nan 8.270 nan 0.000 0.489 309 D N 2.820 123.165 120.400 -0.093 0.000 2.423 309 D HA 0.089 4.729 4.640 -0.000 0.000 0.238 309 D C -2.199 173.867 176.300 -0.390 0.000 1.142 309 D CA -0.667 53.182 54.000 -0.250 0.000 0.884 309 D CB 0.257 41.012 40.800 -0.074 0.000 1.199 309 D HN 0.340 nan 8.370 nan 0.000 0.438 310 P HA 0.092 nan 4.420 nan 0.000 0.271 310 P C -0.869 176.213 177.300 -0.364 0.000 1.216 310 P CA -0.109 62.567 63.100 -0.706 0.000 0.776 310 P CB 0.848 31.667 31.700 -1.468 0.000 0.881 311 E N 1.110 121.184 120.200 -0.210 0.000 2.210 311 E HA 0.332 4.682 4.350 -0.000 0.000 0.266 311 E C -0.574 175.954 176.600 -0.119 0.000 0.883 311 E CA -1.182 55.138 56.400 -0.134 0.000 0.761 311 E CB 2.128 31.829 29.700 0.002 0.000 1.156 311 E HN 0.192 nan 8.360 nan 0.000 0.412 312 V N 3.384 123.122 119.914 -0.295 0.000 2.614 312 V HA 0.234 4.353 4.120 -0.000 0.000 0.291 312 V C -0.496 175.263 176.094 -0.557 0.000 1.049 312 V CA 0.090 62.240 62.300 -0.249 0.000 1.038 312 V CB -0.166 31.551 31.823 -0.177 0.000 0.980 312 V HN 0.511 nan 8.190 nan 0.000 0.481 313 F N 1.902 121.748 119.950 -0.173 0.000 2.612 313 F HA 0.430 4.957 4.527 -0.000 0.000 0.332 313 F C 0.125 175.866 175.800 -0.098 0.000 1.167 313 F CA -0.787 57.032 58.000 -0.302 0.000 0.970 313 F CB 1.622 40.271 39.000 -0.584 0.000 1.234 313 F HN 0.436 nan 8.300 nan 0.000 0.453 314 E N 2.990 123.231 120.200 0.068 0.000 2.392 314 E HA 0.290 4.640 4.350 -0.000 0.000 0.264 314 E C -0.547 176.229 176.600 0.293 0.000 1.024 314 E CA 0.164 56.670 56.400 0.176 0.000 0.903 314 E CB 0.612 30.404 29.700 0.153 0.000 0.963 314 E HN 0.447 nan 8.360 nan 0.000 0.432 315 I N 6.341 127.065 120.570 0.256 0.000 2.342 315 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 315 I C -1.902 174.330 176.117 0.192 0.000 1.010 315 I CA -2.250 59.203 61.300 0.255 0.000 1.308 315 I CB 1.147 39.224 38.000 0.129 0.000 1.400 315 I HN 0.406 nan 8.210 nan 0.000 0.488 316 P HA 0.028 nan 4.420 nan 0.000 0.257 316 P C -2.009 175.344 177.300 0.088 0.000 1.189 316 P CA -0.688 62.491 63.100 0.132 0.000 0.780 316 P CB 0.098 31.860 31.700 0.103 0.000 0.772 317 P HA -0.238 nan 4.420 nan 0.000 0.217 317 P C 0.898 178.231 177.300 0.055 0.000 1.151 317 P CA 1.448 64.594 63.100 0.076 0.000 0.849 317 P CB -0.036 31.712 31.700 0.080 0.000 0.787 318 D N -0.927 119.502 120.400 0.048 0.000 2.221 318 D HA -0.114 4.526 4.640 -0.000 0.000 0.204 318 D C 1.869 178.184 176.300 0.026 0.000 0.982 318 D CA 0.991 55.012 54.000 0.034 0.000 0.857 318 D CB -0.364 40.453 40.800 0.029 0.000 0.934 318 D HN 0.270 nan 8.370 nan 0.000 0.475 319 L N 0.614 121.851 121.223 0.025 0.000 2.313 319 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 319 L C 0.659 177.538 176.870 0.015 0.000 1.119 319 L CA 0.251 55.098 54.840 0.012 0.000 0.809 319 L CB 0.199 42.255 42.059 -0.004 0.000 0.933 319 L HN -0.195 nan 8.230 nan 0.000 0.449 320 V N 2.072 122.000 119.914 0.022 0.000 2.368 320 V HA 0.138 4.257 4.120 -0.000 0.000 0.266 320 V C 0.008 176.124 176.094 0.036 0.000 1.045 320 V CA -0.436 61.876 62.300 0.020 0.000 0.899 320 V CB 1.291 33.124 31.823 0.018 0.000 1.006 320 V HN 0.032 nan 8.190 nan 0.000 0.470 321 L N 6.006 127.253 121.223 0.040 0.000 2.292 321 L HA 0.568 4.908 4.340 -0.000 0.000 0.284 321 L C -0.011 176.884 176.870 0.042 0.000 1.065 321 L CA 0.510 55.368 54.840 0.030 0.000 0.806 321 L CB 0.983 43.054 42.059 0.020 0.000 1.175 321 L HN 0.693 nan 8.230 nan 0.000 0.431 322 E N 3.307 123.515 120.200 0.014 0.000 2.317 322 E HA 0.569 4.919 4.350 -0.000 0.000 0.270 322 E C -1.496 175.062 176.600 -0.071 0.000 0.885 322 E CA -0.966 55.443 56.400 0.015 0.000 0.760 322 E CB 2.541 32.280 29.700 0.065 0.000 1.227 322 E HN 0.379 nan 8.360 nan 0.000 0.434 323 V N 1.976 121.821 119.914 -0.114 0.000 2.417 323 V HA 0.299 4.419 4.120 -0.000 0.000 0.291 323 V C -0.052 176.018 176.094 -0.040 0.000 1.024 323 V CA -0.779 61.410 62.300 -0.185 0.000 0.861 323 V CB 1.470 32.976 31.823 -0.528 0.000 0.985 323 V HN 0.810 nan 8.190 nan 0.000 0.436 324 T N 3.736 118.276 114.554 -0.025 0.000 2.806 324 T HA 0.566 4.916 4.350 -0.000 0.000 0.290 324 T C -0.172 174.576 174.700 0.080 0.000 0.966 324 T CA -0.821 61.288 62.100 0.015 0.000 1.060 324 T CB 0.928 69.801 68.868 0.008 0.000 0.927 324 T HN 0.314 nan 8.240 nan 0.000 0.485 325 M N 3.705 123.385 119.600 0.134 0.000 2.185 325 M HA 0.373 4.853 4.480 -0.000 0.000 0.357 325 M C 0.316 176.802 176.300 0.309 0.000 1.260 325 M CA -0.210 55.246 55.300 0.259 0.000 1.124 325 M CB 0.128 32.946 32.600 0.363 0.000 1.600 325 M HN 0.977 nan 8.290 nan 0.000 0.467 326 E N 1.382 121.782 120.200 0.332 0.000 2.352 326 E HA 0.365 4.715 4.350 -0.000 0.000 0.280 326 E C -1.365 175.324 176.600 0.149 0.000 0.930 326 E CA -0.847 55.737 56.400 0.308 0.000 0.765 326 E CB 1.770 31.594 29.700 0.208 0.000 1.219 326 E HN 0.631 nan 8.360 nan 0.000 0.434 327 H N 3.516 122.534 119.070 -0.087 0.000 2.525 327 H HA 0.218 4.774 4.556 -0.000 0.000 0.339 327 H C -1.634 173.473 175.328 -0.368 0.000 1.109 327 H CA -2.113 53.715 56.048 -0.366 0.000 1.352 327 H CB 1.816 31.297 29.762 -0.468 0.000 1.461 327 H HN 0.478 nan 8.280 nan 0.000 0.533 328 P HA -0.065 nan 4.420 nan 0.000 0.230 328 P C 0.355 177.597 177.300 -0.097 0.000 1.158 328 P CA 0.975 63.732 63.100 -0.572 0.000 0.769 328 P CB 0.755 31.980 31.700 -0.791 0.000 0.807 329 K N -1.872 118.646 120.400 0.197 0.000 2.504 329 K HA 0.141 4.461 4.320 -0.000 0.000 0.203 329 K C 0.214 176.634 176.600 -0.300 0.000 1.350 329 K CA 0.302 56.534 56.287 -0.091 0.000 0.953 329 K CB 0.110 32.503 32.500 -0.178 0.000 1.243 329 K HN 0.167 nan 8.250 nan 0.000 0.534 330 Y N 3.109 123.155 120.300 -0.424 0.000 2.518 330 Y HA 0.210 4.760 4.550 -0.000 0.000 0.344 330 Y C 1.318 176.881 175.900 -0.561 0.000 0.982 330 Y CA -0.473 57.207 58.100 -0.699 0.000 1.234 330 Y CB 0.814 38.426 38.460 -1.414 0.000 1.114 330 Y HN -0.027 nan 8.280 nan 0.000 0.515 331 E N 3.199 123.298 120.200 -0.169 0.000 2.338 331 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 331 E C 1.332 177.959 176.600 0.044 0.000 1.007 331 E CA 0.916 57.302 56.400 -0.023 0.000 0.849 331 E CB -0.036 29.693 29.700 0.048 0.000 0.774 331 E HN 0.900 nan 8.360 nan 0.000 0.506 332 W N -0.472 120.936 121.300 0.179 0.000 2.937 332 W HA 0.046 4.706 4.660 -0.000 0.000 0.245 332 W C 1.333 177.932 176.519 0.133 0.000 1.306 332 W CA -0.382 57.041 57.345 0.131 0.000 1.470 332 W CB -0.838 28.688 29.460 0.109 0.000 1.132 332 W HN -0.115 nan 8.180 nan 0.000 0.675 333 F N 2.650 122.380 119.950 -0.366 0.000 2.186 333 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 333 F C 2.959 178.763 175.800 0.006 0.000 1.090 333 F CA 2.598 60.455 58.000 -0.239 0.000 1.307 333 F CB -0.631 38.151 39.000 -0.364 0.000 1.019 333 F HN -0.087 nan 8.300 nan 0.000 0.489 334 Q N 0.438 120.314 119.800 0.127 0.000 2.096 334 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 334 Q C 1.859 177.885 176.000 0.043 0.000 0.982 334 Q CA 2.183 58.041 55.803 0.092 0.000 0.850 334 Q CB -0.296 28.504 28.738 0.103 0.000 0.901 334 Q HN 0.512 nan 8.270 nan 0.000 0.422 335 E N -0.038 120.212 120.200 0.083 0.000 2.463 335 E HA -0.158 4.192 4.350 -0.000 0.000 0.201 335 E C 1.678 178.297 176.600 0.032 0.000 1.045 335 E CA 0.518 56.966 56.400 0.079 0.000 0.872 335 E CB -0.026 29.756 29.700 0.136 0.000 0.797 335 E HN 0.459 nan 8.360 nan 0.000 0.538 336 L N -0.618 120.576 121.223 -0.048 0.000 2.313 336 L HA 0.038 4.377 4.340 -0.000 0.000 0.214 336 L C 1.527 178.363 176.870 -0.056 0.000 1.119 336 L CA 0.521 55.295 54.840 -0.110 0.000 0.809 336 L CB -0.206 41.645 42.059 -0.347 0.000 0.933 336 L HN 0.264 nan 8.230 nan 0.000 0.449 337 G N 0.852 109.630 108.800 -0.037 0.000 2.198 337 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 337 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 337 G C 0.050 174.969 174.900 0.032 0.000 1.042 337 G CA -0.136 44.983 45.100 0.031 0.000 0.791 337 G HN 0.205 nan 8.290 nan 0.000 0.502 338 L N -0.208 120.955 121.223 -0.101 0.000 2.399 338 L HA 0.734 5.073 4.340 -0.000 0.000 0.266 338 L C 0.777 177.514 176.870 -0.222 0.000 1.114 338 L CA -0.256 54.462 54.840 -0.203 0.000 0.804 338 L CB 1.297 43.096 42.059 -0.433 0.000 1.146 338 L HN 0.489 nan 8.230 nan 0.000 0.451 339 K N 1.353 121.506 120.400 -0.413 0.000 2.575 339 K HA 0.461 4.781 4.320 -0.000 0.000 0.279 339 K C -2.039 174.600 176.600 0.064 0.000 0.969 339 K CA -1.039 55.121 56.287 -0.210 0.000 0.868 339 K CB 2.228 34.494 32.500 -0.391 0.000 1.457 339 K HN 0.582 nan 8.250 nan 0.000 0.426 340 W N 2.253 123.552 121.300 -0.002 0.000 3.137 340 W HA 0.343 5.003 4.660 -0.000 0.000 0.324 340 W C -1.220 175.344 176.519 0.076 0.000 1.253 340 W CA -0.819 56.561 57.345 0.058 0.000 1.183 340 W CB 1.689 31.058 29.460 -0.152 0.000 1.424 340 W HN 0.693 nan 8.180 nan 0.000 0.566 341 Y N 0.875 120.981 120.300 -0.322 0.000 2.314 341 Y HA 0.529 5.079 4.550 -0.000 0.000 0.334 341 Y C 0.812 176.864 175.900 0.254 0.000 1.266 341 Y CA -0.003 58.036 58.100 -0.101 0.000 1.391 341 Y CB 0.090 38.380 38.460 -0.284 0.000 1.306 341 Y HN 0.339 nan 8.280 nan 0.000 0.558 342 A N 1.677 124.705 122.820 0.346 0.000 2.081 342 A HA 0.145 4.465 4.320 -0.000 0.000 0.214 342 A C 0.316 178.215 177.584 0.525 0.000 1.158 342 A CA 0.174 52.460 52.037 0.415 0.000 0.724 342 A CB -0.210 18.874 19.000 0.140 0.000 0.826 342 A HN 0.641 nan 8.150 nan 0.000 0.463 343 L N 1.998 123.481 121.223 0.433 0.000 2.276 343 L HA 0.435 4.775 4.340 -0.000 0.000 0.286 343 L C -2.622 174.365 176.870 0.194 0.000 1.024 343 L CA -2.232 52.766 54.840 0.263 0.000 0.826 343 L CB 1.653 43.801 42.059 0.149 0.000 1.211 343 L HN -0.051 nan 8.230 nan 0.000 0.422 344 P HA 0.352 nan 4.420 nan 0.000 0.291 344 P C -1.424 175.776 177.300 -0.166 0.000 1.340 344 P CA -0.366 62.560 63.100 -0.289 0.000 0.799 344 P CB 1.445 32.557 31.700 -0.980 0.000 0.917 345 A N 4.519 127.255 122.820 -0.139 0.000 2.605 345 A HA 0.365 4.685 4.320 -0.000 0.000 0.293 345 A C -0.179 177.190 177.584 -0.357 0.000 1.216 345 A CA -0.651 51.240 52.037 -0.243 0.000 0.742 345 A CB 0.674 19.534 19.000 -0.235 0.000 1.170 345 A HN 0.291 nan 8.150 nan 0.000 0.443 346 V N 1.935 121.526 119.914 -0.538 0.000 2.509 346 V HA 0.201 4.321 4.120 -0.000 0.000 0.297 346 V C 1.343 177.020 176.094 -0.696 0.000 1.014 346 V CA 1.387 63.313 62.300 -0.622 0.000 1.127 346 V CB 0.808 32.134 31.823 -0.828 0.000 0.925 346 V HN 1.052 nan 8.190 nan 0.000 0.480 347 A N 4.281 126.870 122.820 -0.385 0.000 2.382 347 A HA 0.160 4.480 4.320 -0.000 0.000 0.228 347 A C 1.173 178.672 177.584 -0.142 0.000 1.217 347 A CA 0.319 52.198 52.037 -0.263 0.000 0.923 347 A CB -0.171 18.721 19.000 -0.181 0.000 0.979 347 A HN 0.942 nan 8.150 nan 0.000 0.515 348 N N -1.108 117.514 118.700 -0.130 0.000 2.338 348 N HA 0.352 5.092 4.740 -0.000 0.000 0.251 348 N C -0.046 175.477 175.510 0.022 0.000 1.199 348 N CA -0.258 52.769 53.050 -0.039 0.000 0.879 348 N CB 0.208 38.665 38.487 -0.051 0.000 1.159 348 N HN 0.260 nan 8.380 nan 0.000 0.514 349 M N 0.975 120.593 119.600 0.031 0.000 2.613 349 M HA 0.393 4.873 4.480 -0.000 0.000 0.301 349 M C -0.750 175.676 176.300 0.209 0.000 1.205 349 M CA -0.987 54.390 55.300 0.129 0.000 0.950 349 M CB 2.296 34.977 32.600 0.136 0.000 1.585 349 M HN 0.139 nan 8.290 nan 0.000 0.490 350 L N 2.146 123.523 121.223 0.257 0.000 2.322 350 L HA 0.550 4.889 4.340 -0.000 0.000 0.281 350 L C -1.486 175.591 176.870 0.344 0.000 1.014 350 L CA -0.956 54.055 54.840 0.284 0.000 0.815 350 L CB 1.343 43.537 42.059 0.226 0.000 1.247 350 L HN 0.574 nan 8.230 nan 0.000 0.421 351 L N 5.155 126.579 121.223 0.335 0.000 2.264 351 L HA 0.466 4.805 4.340 -0.000 0.000 0.289 351 L C -0.428 176.577 176.870 0.225 0.000 1.044 351 L CA 0.336 55.286 54.840 0.184 0.000 0.807 351 L CB 1.028 43.148 42.059 0.102 0.000 1.192 351 L HN 0.641 nan 8.230 nan 0.000 0.425 352 E N 4.846 125.134 120.200 0.147 0.000 2.166 352 E HA 0.512 4.862 4.350 -0.000 0.000 0.275 352 E C -1.861 174.752 176.600 0.022 0.000 0.941 352 E CA -0.433 56.062 56.400 0.159 0.000 0.784 352 E CB 1.947 31.828 29.700 0.302 0.000 1.115 352 E HN 0.515 nan 8.360 nan 0.000 0.399 353 V N 2.986 122.889 119.914 -0.018 0.000 2.752 353 V HA 0.497 4.617 4.120 -0.000 0.000 0.302 353 V C 0.282 176.276 176.094 -0.167 0.000 1.133 353 V CA 0.428 62.599 62.300 -0.215 0.000 0.919 353 V CB 1.349 32.900 31.823 -0.453 0.000 1.026 353 V HN 0.867 nan 8.190 nan 0.000 0.429 354 G N 4.361 113.120 108.800 -0.069 0.000 2.422 354 G HA2 0.079 4.039 3.960 -0.000 0.000 0.301 354 G HA3 0.079 4.039 3.960 -0.000 0.000 0.301 354 G C 1.600 176.669 174.900 0.281 0.000 0.981 354 G CA 1.517 46.750 45.100 0.223 0.000 0.994 354 G HN 2.760 nan 8.290 nan 0.000 0.514 355 G N -1.959 106.925 108.800 0.140 0.000 2.284 355 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.247 355 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.247 355 G C 0.590 175.550 174.900 0.101 0.000 1.012 355 G CA 0.538 45.742 45.100 0.174 0.000 0.618 355 G HN 1.252 nan 8.290 nan 0.000 0.521 356 L N 0.713 121.972 121.223 0.059 0.000 2.418 356 L HA 0.648 4.988 4.340 -0.000 0.000 0.265 356 L C 0.357 177.176 176.870 -0.084 0.000 1.143 356 L CA -0.371 54.416 54.840 -0.087 0.000 0.809 356 L CB 0.955 42.888 42.059 -0.210 0.000 1.124 356 L HN 0.232 nan 8.230 nan 0.000 0.456 357 E N 1.721 121.789 120.200 -0.219 0.000 2.246 357 E HA 0.399 4.749 4.350 -0.000 0.000 0.266 357 E C -1.623 174.819 176.600 -0.263 0.000 0.880 357 E CA -0.438 55.900 56.400 -0.102 0.000 0.762 357 E CB 1.958 31.624 29.700 -0.057 0.000 1.180 357 E HN 0.231 nan 8.360 nan 0.000 0.416 358 F N 3.711 123.676 119.950 0.025 0.000 2.311 358 F HA 0.273 4.800 4.527 -0.000 0.000 0.371 358 F C -1.529 174.335 175.800 0.106 0.000 1.083 358 F CA -2.262 55.769 58.000 0.052 0.000 1.113 358 F CB 1.383 40.404 39.000 0.034 0.000 1.349 358 F HN 0.330 nan 8.300 nan 0.000 0.470 359 P HA 0.064 nan 4.420 nan 0.000 0.245 359 P C -0.142 177.297 177.300 0.232 0.000 1.212 359 P CA 0.507 63.723 63.100 0.194 0.000 0.774 359 P CB 0.526 32.305 31.700 0.132 0.000 0.999 360 A N 0.474 123.482 122.820 0.314 0.000 2.522 360 A HA 0.544 4.863 4.320 -0.000 0.000 0.285 360 A C -0.182 177.663 177.584 0.434 0.000 1.198 360 A CA -0.437 51.820 52.037 0.367 0.000 0.742 360 A CB 0.146 19.390 19.000 0.406 0.000 1.176 360 A HN 0.286 nan 8.150 nan 0.000 0.444 361 C N 0.235 119.721 119.300 0.310 0.000 3.166 361 C HA 0.498 4.958 4.460 -0.000 0.000 0.277 361 C C -3.227 171.857 174.990 0.156 0.000 0.984 361 C CA -1.642 57.508 59.018 0.220 0.000 1.142 361 C CB -0.503 27.364 27.740 0.213 0.000 1.721 361 C HN 0.492 nan 8.230 nan 0.000 0.628 362 P HA 0.418 nan 4.420 nan 0.000 0.268 362 P C -0.380 176.927 177.300 0.011 0.000 1.204 362 P CA 0.646 63.684 63.100 -0.104 0.000 0.768 362 P CB 0.191 31.833 31.700 -0.098 0.000 0.842 363 F N 0.361 120.253 119.950 -0.097 0.000 2.650 363 F HA 0.746 5.273 4.527 -0.000 0.000 0.320 363 F C -0.796 174.914 175.800 -0.150 0.000 1.091 363 F CA -1.144 56.796 58.000 -0.100 0.000 0.962 363 F CB 1.603 40.391 39.000 -0.353 0.000 1.363 363 F HN 0.310 nan 8.300 nan 0.000 0.482 364 N N -0.422 118.376 118.700 0.162 0.000 2.591 364 N HA 0.651 5.391 4.740 -0.000 0.000 0.263 364 N C -1.308 174.146 175.510 -0.093 0.000 1.308 364 N CA -0.406 52.658 53.050 0.022 0.000 0.837 364 N CB 1.826 40.356 38.487 0.072 0.000 1.548 364 N HN 1.104 nan 8.380 nan 0.000 0.493 365 G N -0.750 107.957 108.800 -0.155 0.000 3.259 365 G HA2 0.708 4.668 3.960 -0.000 0.000 0.178 365 G HA3 0.708 4.668 3.960 -0.000 0.000 0.178 365 G C -1.658 173.202 174.900 -0.066 0.000 1.129 365 G CA -0.709 44.217 45.100 -0.290 0.000 0.816 365 G HN 0.700 nan 8.290 nan 0.000 0.634 366 W N -1.863 119.433 121.300 -0.007 0.000 2.929 366 W HA 0.816 5.476 4.660 -0.000 0.000 0.345 366 W C -1.465 175.043 176.519 -0.017 0.000 1.151 366 W CA -2.138 55.217 57.345 0.016 0.000 1.111 366 W CB 0.357 29.870 29.460 0.087 0.000 1.449 366 W HN 0.389 nan 8.180 nan 0.000 0.572 367 Y N 2.052 122.555 120.300 0.338 0.000 2.326 367 Y HA 0.318 4.867 4.550 -0.000 0.000 0.333 367 Y C 0.642 176.589 175.900 0.077 0.000 1.240 367 Y CA -0.770 57.392 58.100 0.104 0.000 1.365 367 Y CB 1.166 39.574 38.460 -0.088 0.000 1.289 367 Y HN 0.398 nan 8.280 nan 0.000 0.548 368 M N 1.899 121.642 119.600 0.239 0.000 2.227 368 M HA 0.363 4.843 4.480 -0.000 0.000 0.335 368 M C 1.096 177.357 176.300 -0.064 0.000 1.053 368 M CA -0.178 55.179 55.300 0.094 0.000 0.973 368 M CB 1.380 34.020 32.600 0.067 0.000 1.623 368 M HN 0.851 nan 8.290 nan 0.000 0.434 369 G N 1.685 110.410 108.800 -0.125 0.000 2.606 369 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.221 369 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.221 369 G C 1.122 175.835 174.900 -0.313 0.000 1.152 369 G CA 1.992 46.944 45.100 -0.246 0.000 0.765 369 G HN 0.870 nan 8.290 nan 0.000 0.595 370 T N -1.164 113.212 114.554 -0.296 0.000 2.962 370 T HA 0.026 4.376 4.350 -0.000 0.000 0.270 370 T C 1.935 176.434 174.700 -0.335 0.000 1.088 370 T CA 1.565 63.446 62.100 -0.364 0.000 1.127 370 T CB -0.203 68.392 68.868 -0.456 0.000 0.883 370 T HN 0.547 nan 8.240 nan 0.000 0.493 371 E N 0.888 120.914 120.200 -0.290 0.000 2.077 371 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 371 E C 2.029 178.315 176.600 -0.523 0.000 0.989 371 E CA 1.275 57.513 56.400 -0.270 0.000 0.800 371 E CB -0.249 29.436 29.700 -0.025 0.000 0.746 371 E HN 0.580 nan 8.360 nan 0.000 0.452 372 I N 0.297 120.394 120.570 -0.790 0.000 2.385 372 I HA -0.050 4.120 4.170 -0.000 0.000 0.244 372 I C 2.580 178.057 176.117 -1.067 0.000 1.089 372 I CA 0.898 61.433 61.300 -1.275 0.000 1.410 372 I CB -0.436 36.707 38.000 -1.427 0.000 1.117 372 I HN 0.099 nan 8.210 nan 0.000 0.429 373 G N 0.569 109.002 108.800 -0.611 0.000 2.422 373 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.218 373 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.218 373 G C 1.586 176.391 174.900 -0.158 0.000 1.146 373 G CA 1.125 46.073 45.100 -0.254 0.000 0.769 373 G HN 0.230 nan 8.290 nan 0.000 0.547 374 V N 0.211 119.977 119.914 -0.245 0.000 2.403 374 V HA 0.079 4.199 4.120 -0.000 0.000 0.239 374 V C 2.791 178.789 176.094 -0.159 0.000 1.041 374 V CA 0.925 63.119 62.300 -0.177 0.000 1.051 374 V CB -0.326 31.364 31.823 -0.221 0.000 0.704 374 V HN 0.102 nan 8.190 nan 0.000 0.472 375 R N 0.794 121.160 120.500 -0.223 0.000 2.051 375 R HA -0.038 4.302 4.340 -0.000 0.000 0.225 375 R C 1.994 178.199 176.300 -0.159 0.000 1.155 375 R CA 1.541 57.536 56.100 -0.175 0.000 0.945 375 R CB -1.197 28.989 30.300 -0.189 0.000 0.840 375 R HN 0.467 nan 8.270 nan 0.000 0.432 376 D N 0.369 120.561 120.400 -0.347 0.000 2.123 376 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 376 D C 1.861 178.088 176.300 -0.121 0.000 0.992 376 D CA 1.213 54.963 54.000 -0.416 0.000 0.833 376 D CB -0.156 39.904 40.800 -1.235 0.000 0.954 376 D HN 0.106 nan 8.370 nan 0.000 0.455 377 F N 0.132 119.965 119.950 -0.195 0.000 2.317 377 F HA 0.058 4.585 4.527 -0.000 0.000 0.290 377 F C 2.465 178.302 175.800 0.063 0.000 1.075 377 F CA -0.272 57.714 58.000 -0.023 0.000 1.380 377 F CB -0.792 38.174 39.000 -0.055 0.000 1.093 377 F HN 0.020 nan 8.300 nan 0.000 0.524 378 C N -0.980 118.437 119.300 0.194 0.000 2.533 378 C HA 0.094 4.554 4.460 -0.000 0.000 0.272 378 C C 0.467 175.503 174.990 0.078 0.000 1.371 378 C CA -0.607 58.483 59.018 0.122 0.000 1.758 378 C CB -0.794 26.980 27.740 0.058 0.000 1.972 378 C HN 0.135 nan 8.230 nan 0.000 0.522 379 D N 1.293 121.727 120.400 0.055 0.000 2.531 379 D HA -0.016 4.623 4.640 -0.000 0.000 0.239 379 D C 1.392 177.730 176.300 0.064 0.000 1.144 379 D CA 0.577 54.599 54.000 0.037 0.000 0.869 379 D CB 0.748 41.565 40.800 0.028 0.000 1.160 379 D HN 0.285 nan 8.370 nan 0.000 0.484 380 T N 1.723 116.303 114.554 0.043 0.000 2.737 380 T HA -0.250 4.100 4.350 -0.000 0.000 0.269 380 T C 1.437 176.165 174.700 0.047 0.000 1.040 380 T CA 1.536 63.664 62.100 0.047 0.000 1.142 380 T CB -0.025 68.863 68.868 0.033 0.000 0.861 380 T HN 0.536 nan 8.240 nan 0.000 0.456 381 Q N -0.015 119.812 119.800 0.044 0.000 2.415 381 Q HA 0.093 4.433 4.340 -0.000 0.000 0.206 381 Q C 0.890 176.925 176.000 0.059 0.000 0.946 381 Q CA 0.050 55.879 55.803 0.044 0.000 0.951 381 Q CB 0.114 28.877 28.738 0.042 0.000 1.026 381 Q HN 0.416 nan 8.270 nan 0.000 0.510 382 R N -0.332 120.220 120.500 0.086 0.000 2.845 382 R HA 0.230 4.570 4.340 -0.000 0.000 0.112 382 R C 1.185 177.547 176.300 0.103 0.000 1.012 382 R CA -0.489 55.696 56.100 0.142 0.000 0.744 382 R CB -1.059 29.392 30.300 0.251 0.000 0.926 382 R HN 0.059 nan 8.270 nan 0.000 0.376 383 Y N 1.806 122.225 120.300 0.200 0.000 2.632 383 Y HA -0.045 4.505 4.550 -0.000 0.000 0.301 383 Y C 0.622 176.603 175.900 0.135 0.000 1.172 383 Y CA 0.393 58.614 58.100 0.201 0.000 1.328 383 Y CB -0.752 37.913 38.460 0.341 0.000 1.016 383 Y HN 0.450 nan 8.280 nan 0.000 0.529 384 N N 1.239 120.068 118.700 0.215 0.000 2.718 384 N HA -0.241 4.499 4.740 -0.000 0.000 0.268 384 N C 0.555 176.151 175.510 0.144 0.000 0.965 384 N CA 0.845 53.984 53.050 0.147 0.000 0.817 384 N CB -1.126 37.415 38.487 0.091 0.000 0.914 384 N HN 0.684 nan 8.380 nan 0.000 0.558 385 I N -3.140 117.530 120.570 0.168 0.000 3.793 385 I HA 0.073 4.243 4.170 -0.000 0.000 0.315 385 I C 1.588 177.790 176.117 0.142 0.000 1.275 385 I CA -0.330 61.043 61.300 0.122 0.000 1.214 385 I CB -0.094 37.941 38.000 0.058 0.000 1.018 385 I HN 0.171 nan 8.210 nan 0.000 0.439 386 L N 1.086 122.415 121.223 0.177 0.000 1.990 386 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 386 L C 2.848 179.934 176.870 0.360 0.000 1.072 386 L CA 1.754 56.745 54.840 0.251 0.000 0.755 386 L CB -0.574 41.605 42.059 0.201 0.000 0.889 386 L HN 0.407 nan 8.230 nan 0.000 0.432 387 E N 0.060 120.439 120.200 0.299 0.000 2.070 387 E HA -0.315 4.035 4.350 -0.000 0.000 0.197 387 E C 1.974 178.577 176.600 0.004 0.000 1.004 387 E CA 1.996 58.476 56.400 0.134 0.000 0.805 387 E CB 0.030 29.767 29.700 0.063 0.000 0.744 387 E HN 0.380 nan 8.360 nan 0.000 0.451 388 E N 0.113 120.332 120.200 0.031 0.000 2.077 388 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 388 E C 2.080 178.665 176.600 -0.025 0.000 0.989 388 E CA 1.240 57.629 56.400 -0.019 0.000 0.800 388 E CB -0.221 29.475 29.700 -0.007 0.000 0.746 388 E HN 0.098 nan 8.360 nan 0.000 0.452 389 V N 0.250 120.213 119.914 0.081 0.000 2.626 389 V HA -0.118 4.001 4.120 -0.000 0.000 0.252 389 V C 2.228 178.375 176.094 0.089 0.000 1.067 389 V CA 1.667 64.064 62.300 0.162 0.000 1.081 389 V CB -0.944 31.063 31.823 0.307 0.000 0.686 389 V HN 0.463 nan 8.190 nan 0.000 0.468 390 G N 0.087 108.946 108.800 0.098 0.000 2.414 390 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.215 390 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.215 390 G C 1.737 176.545 174.900 -0.152 0.000 1.188 390 G CA 0.571 45.689 45.100 0.029 0.000 0.783 390 G HN 0.412 nan 8.290 nan 0.000 0.537 391 R N 0.231 120.602 120.500 -0.214 0.000 2.080 391 R HA -0.047 4.293 4.340 -0.000 0.000 0.236 391 R C 2.680 178.818 176.300 -0.270 0.000 1.137 391 R CA 1.385 57.353 56.100 -0.221 0.000 0.943 391 R CB -0.357 29.831 30.300 -0.187 0.000 0.846 391 R HN 0.256 nan 8.270 nan 0.000 0.431 392 R N 0.084 120.348 120.500 -0.393 0.000 2.293 392 R HA -0.042 4.298 4.340 -0.000 0.000 0.219 392 R C 1.706 177.547 176.300 -0.765 0.000 1.091 392 R CA 0.925 56.572 56.100 -0.755 0.000 1.004 392 R CB -0.063 29.512 30.300 -1.210 0.000 0.865 392 R HN 0.297 nan 8.270 nan 0.000 0.469 393 M N -0.894 118.510 119.600 -0.327 0.000 2.371 393 M HA 0.178 4.658 4.480 -0.000 0.000 0.246 393 M C 0.585 176.878 176.300 -0.010 0.000 1.103 393 M CA 0.195 55.472 55.300 -0.037 0.000 1.010 393 M CB 1.195 33.844 32.600 0.082 0.000 1.457 393 M HN 0.323 nan 8.290 nan 0.000 0.486 394 G N 2.524 111.266 108.800 -0.096 0.000 2.272 394 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.280 394 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.280 394 G C -0.303 174.576 174.900 -0.035 0.000 1.067 394 G CA -0.025 45.033 45.100 -0.070 0.000 0.902 394 G HN 0.396 nan 8.290 nan 0.000 0.500 395 L N -1.070 120.123 121.223 -0.049 0.000 2.387 395 L HA 0.465 4.805 4.340 -0.000 0.000 0.266 395 L C 0.960 177.766 176.870 -0.108 0.000 1.059 395 L CA -1.032 53.800 54.840 -0.012 0.000 0.801 395 L CB 0.910 43.026 42.059 0.096 0.000 1.223 395 L HN 0.184 nan 8.230 nan 0.000 0.456 396 E N 0.365 120.538 120.200 -0.046 0.000 2.323 396 E HA -0.021 4.329 4.350 -0.000 0.000 0.313 396 E C 0.506 176.935 176.600 -0.285 0.000 1.236 396 E CA -0.126 56.230 56.400 -0.073 0.000 1.333 396 E CB -0.144 29.576 29.700 0.033 0.000 1.138 396 E HN 0.532 nan 8.360 nan 0.000 0.492 397 T N 0.418 114.631 114.554 -0.568 0.000 2.996 397 T HA -0.152 4.198 4.350 -0.000 0.000 0.271 397 T C 0.593 174.863 174.700 -0.717 0.000 1.126 397 T CA 1.183 62.539 62.100 -1.240 0.000 1.103 397 T CB -0.163 68.125 68.868 -0.967 0.000 0.870 397 T HN 0.441 nan 8.240 nan 0.000 0.528 398 H N -0.303 118.595 119.070 -0.286 0.000 2.542 398 H HA 0.299 4.855 4.556 -0.000 0.000 0.283 398 H C 0.049 175.389 175.328 0.020 0.000 1.059 398 H CA -0.073 55.923 56.048 -0.088 0.000 1.162 398 H CB 0.591 30.304 29.762 -0.081 0.000 1.539 398 H HN 0.054 nan 8.280 nan 0.000 0.543 399 T N 1.458 116.101 114.554 0.149 0.000 3.150 399 T HA 0.060 4.410 4.350 -0.000 0.000 0.383 399 T C 1.019 175.892 174.700 0.289 0.000 1.313 399 T CA -0.367 61.840 62.100 0.177 0.000 1.235 399 T CB 0.855 69.801 68.868 0.131 0.000 1.088 399 T HN 0.070 nan 8.240 nan 0.000 0.556 400 L N 3.170 124.555 121.223 0.270 0.000 2.051 400 L HA -0.109 4.231 4.340 -0.000 0.000 0.214 400 L C 2.437 179.388 176.870 0.135 0.000 1.076 400 L CA 2.205 57.185 54.840 0.234 0.000 0.758 400 L CB -0.688 41.449 42.059 0.130 0.000 0.890 400 L HN 0.673 nan 8.230 nan 0.000 0.433 401 A N -1.530 121.359 122.820 0.114 0.000 2.225 401 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 401 A C 2.338 179.975 177.584 0.088 0.000 1.164 401 A CA 1.398 53.481 52.037 0.077 0.000 0.710 401 A CB -0.884 18.155 19.000 0.065 0.000 0.780 401 A HN 0.672 nan 8.150 nan 0.000 0.473 402 S N -0.806 114.983 115.700 0.148 0.000 2.522 402 S HA 0.160 4.630 4.470 -0.000 0.000 0.227 402 S C 0.855 175.534 174.600 0.132 0.000 0.986 402 S CA 0.627 58.919 58.200 0.154 0.000 0.929 402 S CB -0.634 62.694 63.200 0.213 0.000 0.769 402 S HN 0.873 nan 8.310 nan 0.000 0.529 403 L N 0.272 121.540 121.223 0.075 0.000 4.089 403 L HA -0.162 4.178 4.340 -0.000 0.000 0.408 403 L C 1.590 178.452 176.870 -0.013 0.000 1.184 403 L CA 0.695 55.521 54.840 -0.024 0.000 0.947 403 L CB -2.680 39.381 42.059 0.003 0.000 2.066 403 L HN 0.732 nan 8.230 nan 0.000 0.851 404 W N 0.420 121.732 121.300 0.021 0.000 2.363 404 W HA -0.136 4.524 4.660 -0.000 0.000 0.296 404 W C 1.714 178.247 176.519 0.022 0.000 1.212 404 W CA 1.376 58.734 57.345 0.023 0.000 1.260 404 W CB -0.778 28.694 29.460 0.019 0.000 1.131 404 W HN 0.264 nan 8.180 nan 0.000 0.530 405 K N 0.872 120.690 120.400 -0.970 0.000 2.063 405 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 405 K C 1.524 177.939 176.600 -0.308 0.000 1.048 405 K CA 2.271 58.032 56.287 -0.877 0.000 0.928 405 K CB -0.430 31.465 32.500 -1.008 0.000 0.713 405 K HN -0.036 nan 8.250 nan 0.000 0.442 406 D N 0.284 120.548 120.400 -0.227 0.000 2.123 406 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 406 D C 1.980 178.268 176.300 -0.021 0.000 0.992 406 D CA 1.175 55.116 54.000 -0.099 0.000 0.833 406 D CB -0.024 40.736 40.800 -0.067 0.000 0.954 406 D HN 0.156 nan 8.370 nan 0.000 0.455 407 R N 0.262 120.777 120.500 0.025 0.000 2.062 407 R HA 0.088 4.428 4.340 -0.000 0.000 0.229 407 R C 2.270 178.626 176.300 0.093 0.000 1.128 407 R CA 1.066 57.214 56.100 0.080 0.000 0.960 407 R CB -0.295 30.080 30.300 0.125 0.000 0.855 407 R HN 0.124 nan 8.270 nan 0.000 0.432 408 A N 0.831 123.729 122.820 0.130 0.000 1.858 408 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 408 A C 2.292 179.941 177.584 0.109 0.000 1.190 408 A CA 1.477 53.610 52.037 0.161 0.000 0.617 408 A CB -0.923 18.238 19.000 0.269 0.000 0.827 408 A HN 0.177 nan 8.150 nan 0.000 0.443 409 V N -0.056 119.889 119.914 0.052 0.000 2.453 409 V HA -0.255 3.865 4.120 -0.000 0.000 0.252 409 V C 2.625 178.732 176.094 0.021 0.000 1.068 409 V CA 2.861 65.175 62.300 0.023 0.000 1.070 409 V CB -0.787 31.012 31.823 -0.040 0.000 0.664 409 V HN 0.679 nan 8.190 nan 0.000 0.461 410 T N -0.709 113.863 114.554 0.031 0.000 2.857 410 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 410 T C 1.783 176.505 174.700 0.036 0.000 1.048 410 T CA 1.241 63.365 62.100 0.040 0.000 1.139 410 T CB -0.197 68.707 68.868 0.059 0.000 0.874 410 T HN 0.468 nan 8.240 nan 0.000 0.455 411 E N 1.099 121.328 120.200 0.048 0.000 2.150 411 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 411 E C 2.175 178.728 176.600 -0.079 0.000 0.985 411 E CA 0.618 57.044 56.400 0.043 0.000 0.814 411 E CB -0.368 29.301 29.700 -0.053 0.000 0.752 411 E HN 0.527 nan 8.360 nan 0.000 0.466 412 I N 0.965 121.532 120.570 -0.006 0.000 2.252 412 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 412 I C 1.841 177.929 176.117 -0.048 0.000 1.102 412 I CA 0.936 62.248 61.300 0.020 0.000 1.385 412 I CB -0.276 37.859 38.000 0.225 0.000 1.064 412 I HN 0.046 nan 8.210 nan 0.000 0.414 413 N N 0.217 118.892 118.700 -0.043 0.000 2.244 413 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 413 N C 1.753 177.210 175.510 -0.088 0.000 1.016 413 N CA 0.846 53.856 53.050 -0.067 0.000 0.866 413 N CB 0.006 38.464 38.487 -0.047 0.000 0.980 413 N HN 0.059 nan 8.380 nan 0.000 0.430 414 V N 0.342 120.178 119.914 -0.131 0.000 2.453 414 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 414 V C 2.153 178.062 176.094 -0.308 0.000 1.048 414 V CA 1.662 63.845 62.300 -0.195 0.000 1.049 414 V CB -0.806 30.880 31.823 -0.229 0.000 0.672 414 V HN 0.340 nan 8.190 nan 0.000 0.457 415 A N -0.093 122.446 122.820 -0.468 0.000 1.877 415 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 415 A C 2.404 179.936 177.584 -0.088 0.000 1.186 415 A CA 2.022 53.774 52.037 -0.474 0.000 0.620 415 A CB -0.709 17.693 19.000 -0.998 0.000 0.822 415 A HN 0.304 nan 8.150 nan 0.000 0.443 416 V N 0.226 120.120 119.914 -0.033 0.000 2.255 416 V HA -0.290 3.829 4.120 -0.000 0.000 0.247 416 V C 2.610 178.736 176.094 0.053 0.000 1.051 416 V CA 2.149 64.485 62.300 0.060 0.000 1.018 416 V CB -0.796 30.986 31.823 -0.068 0.000 0.641 416 V HN 0.571 nan 8.190 nan 0.000 0.445 417 L N -0.704 120.507 121.223 -0.021 0.000 2.046 417 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 417 L C 2.644 179.555 176.870 0.068 0.000 1.077 417 L CA 2.052 56.892 54.840 0.000 0.000 0.747 417 L CB -0.959 41.096 42.059 -0.007 0.000 0.896 417 L HN 0.506 nan 8.230 nan 0.000 0.432 418 H N 0.006 119.050 119.070 -0.045 0.000 2.319 418 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 418 H C 2.269 177.607 175.328 0.017 0.000 1.092 418 H CA 1.964 57.984 56.048 -0.047 0.000 1.302 418 H CB 0.296 29.972 29.762 -0.143 0.000 1.373 418 H HN 0.244 nan 8.280 nan 0.000 0.497 419 S N 0.269 115.978 115.700 0.016 0.000 2.356 419 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 419 S C 2.017 176.624 174.600 0.011 0.000 1.032 419 S CA 1.335 59.539 58.200 0.006 0.000 1.005 419 S CB -0.539 62.757 63.200 0.160 0.000 0.867 419 S HN 0.293 nan 8.310 nan 0.000 0.449 420 F N 2.000 121.910 119.950 -0.066 0.000 2.134 420 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 420 F C 2.637 178.391 175.800 -0.077 0.000 1.097 420 F CA 1.144 59.118 58.000 -0.044 0.000 1.264 420 F CB -0.604 38.386 39.000 -0.016 0.000 1.001 420 F HN 0.237 nan 8.300 nan 0.000 0.479 421 Q N -0.364 119.480 119.800 0.073 0.000 2.119 421 Q HA -0.188 4.152 4.340 -0.000 0.000 0.201 421 Q C 2.176 178.117 176.000 -0.097 0.000 0.972 421 Q CA 1.229 57.020 55.803 -0.019 0.000 0.847 421 Q CB -0.241 28.478 28.738 -0.032 0.000 0.903 421 Q HN 0.336 nan 8.270 nan 0.000 0.433 422 K N 0.796 121.079 120.400 -0.196 0.000 2.148 422 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 422 K C 1.204 177.730 176.600 -0.124 0.000 1.050 422 K CA 1.008 57.173 56.287 -0.202 0.000 0.942 422 K CB 0.244 32.547 32.500 -0.329 0.000 0.724 422 K HN 0.175 nan 8.250 nan 0.000 0.446 423 Q N 0.384 120.112 119.800 -0.120 0.000 2.222 423 Q HA 0.126 4.466 4.340 -0.000 0.000 0.206 423 Q C -0.746 175.199 176.000 -0.092 0.000 0.877 423 Q CA -0.257 55.483 55.803 -0.107 0.000 0.958 423 Q CB 0.579 29.235 28.738 -0.137 0.000 1.075 423 Q HN 0.234 nan 8.270 nan 0.000 0.483 424 N N 0.129 118.786 118.700 -0.070 0.000 2.716 424 N HA -0.154 4.586 4.740 -0.000 0.000 0.250 424 N C -1.225 174.261 175.510 -0.040 0.000 1.033 424 N CA 0.592 53.612 53.050 -0.050 0.000 0.727 424 N CB -1.112 37.346 38.487 -0.049 0.000 0.950 424 N HN 0.047 nan 8.380 nan 0.000 0.541 425 V N 0.976 120.876 119.914 -0.022 0.000 2.370 425 V HA 0.198 4.318 4.120 -0.000 0.000 0.283 425 V C 0.987 177.185 176.094 0.172 0.000 1.023 425 V CA -0.603 61.715 62.300 0.029 0.000 0.857 425 V CB 1.879 33.615 31.823 -0.146 0.000 0.985 425 V HN 0.161 nan 8.190 nan 0.000 0.443 426 T N 6.487 121.091 114.554 0.083 0.000 2.933 426 T HA 0.347 4.697 4.350 -0.000 0.000 0.306 426 T C -0.222 174.538 174.700 0.099 0.000 1.045 426 T CA 1.016 63.089 62.100 -0.046 0.000 1.143 426 T CB -0.000 68.711 68.868 -0.261 0.000 1.003 426 T HN 0.593 nan 8.240 nan 0.000 0.540 427 I N 2.387 122.935 120.570 -0.037 0.000 2.800 427 I HA 0.480 4.650 4.170 -0.000 0.000 0.294 427 I C -1.637 174.474 176.117 -0.011 0.000 1.538 427 I CA -0.882 60.420 61.300 0.005 0.000 1.010 427 I CB 1.870 39.794 38.000 -0.126 0.000 1.381 427 I HN 0.652 nan 8.210 nan 0.000 0.462 428 M N 5.488 125.137 119.600 0.082 0.000 2.395 428 M HA 0.419 4.899 4.480 -0.000 0.000 0.307 428 M C -1.545 174.808 176.300 0.089 0.000 1.091 428 M CA -0.465 54.900 55.300 0.110 0.000 0.919 428 M CB 1.797 34.545 32.600 0.246 0.000 1.662 428 M HN 0.620 nan 8.290 nan 0.000 0.440 429 D N 1.998 122.450 120.400 0.086 0.000 2.344 429 D HA 0.083 4.723 4.640 -0.000 0.000 0.244 429 D C 1.089 177.468 176.300 0.131 0.000 1.134 429 D CA -0.096 53.981 54.000 0.128 0.000 0.930 429 D CB 0.594 41.461 40.800 0.113 0.000 1.175 429 D HN 0.699 nan 8.370 nan 0.000 0.437 430 H N 0.692 119.715 119.070 -0.080 0.000 2.457 430 H HA -0.131 4.425 4.556 -0.000 0.000 0.294 430 H C 1.022 176.257 175.328 -0.155 0.000 1.064 430 H CA 1.363 57.322 56.048 -0.148 0.000 1.330 430 H CB -0.673 28.940 29.762 -0.248 0.000 1.395 430 H HN 0.559 nan 8.280 nan 0.000 0.541 431 H N 0.869 119.733 119.070 -0.344 0.000 2.307 431 H HA -0.031 4.525 4.556 -0.000 0.000 0.303 431 H C 1.945 177.240 175.328 -0.055 0.000 1.073 431 H CA 1.910 57.829 56.048 -0.214 0.000 1.338 431 H CB -0.260 29.351 29.762 -0.253 0.000 1.389 431 H HN 0.376 nan 8.280 nan 0.000 0.503 432 T N 1.289 115.903 114.554 0.100 0.000 2.720 432 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 432 T C 2.338 177.105 174.700 0.113 0.000 1.037 432 T CA 1.251 63.408 62.100 0.096 0.000 1.144 432 T CB -0.429 68.490 68.868 0.086 0.000 0.864 432 T HN 0.433 nan 8.240 nan 0.000 0.444 433 A N 0.968 123.857 122.820 0.114 0.000 1.902 433 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 433 A C 2.578 180.251 177.584 0.148 0.000 1.181 433 A CA 2.092 54.212 52.037 0.139 0.000 0.623 433 A CB -1.080 17.993 19.000 0.121 0.000 0.818 433 A HN 0.440 nan 8.150 nan 0.000 0.443 434 S N -0.680 115.086 115.700 0.109 0.000 2.348 434 S HA -0.214 4.256 4.470 -0.000 0.000 0.221 434 S C 1.960 176.670 174.600 0.183 0.000 1.033 434 S CA 1.777 60.055 58.200 0.130 0.000 1.010 434 S CB -0.361 62.882 63.200 0.071 0.000 0.891 434 S HN 0.654 nan 8.310 nan 0.000 0.442 435 E N 0.148 120.433 120.200 0.142 0.000 2.153 435 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 435 E C 2.233 178.913 176.600 0.132 0.000 0.988 435 E CA 1.056 57.532 56.400 0.127 0.000 0.811 435 E CB -0.217 29.541 29.700 0.096 0.000 0.746 435 E HN 0.494 nan 8.360 nan 0.000 0.466 436 S N -0.014 115.777 115.700 0.152 0.000 2.348 436 S HA -0.182 4.288 4.470 -0.000 0.000 0.221 436 S C 1.735 176.447 174.600 0.187 0.000 1.033 436 S CA 1.009 59.302 58.200 0.154 0.000 1.010 436 S CB -0.322 62.980 63.200 0.169 0.000 0.891 436 S HN 0.352 nan 8.310 nan 0.000 0.442 437 F N 2.123 122.128 119.950 0.092 0.000 2.095 437 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 437 F C 2.196 178.075 175.800 0.133 0.000 1.104 437 F CA 1.720 59.788 58.000 0.114 0.000 1.232 437 F CB -0.407 38.643 39.000 0.083 0.000 0.987 437 F HN 0.186 nan 8.300 nan 0.000 0.475 438 M N 0.157 119.817 119.600 0.100 0.000 2.195 438 M HA -0.223 4.257 4.480 -0.000 0.000 0.260 438 M C 2.126 178.378 176.300 -0.080 0.000 1.066 438 M CA 1.592 56.887 55.300 -0.009 0.000 1.089 438 M CB -1.104 31.552 32.600 0.093 0.000 1.377 438 M HN 0.142 nan 8.290 nan 0.000 0.411 439 K N -0.604 119.782 120.400 -0.024 0.000 2.062 439 K HA -0.159 4.160 4.320 -0.000 0.000 0.205 439 K C 1.936 178.506 176.600 -0.049 0.000 1.051 439 K CA 1.541 57.818 56.287 -0.016 0.000 0.941 439 K CB -0.502 32.017 32.500 0.033 0.000 0.719 439 K HN 0.362 nan 8.250 nan 0.000 0.440 440 H N 0.030 118.996 119.070 -0.174 0.000 2.321 440 H HA -0.059 4.497 4.556 -0.000 0.000 0.300 440 H C 1.984 177.144 175.328 -0.281 0.000 1.087 440 H CA 2.497 58.422 56.048 -0.205 0.000 1.319 440 H CB -0.206 29.412 29.762 -0.240 0.000 1.379 440 H HN 0.253 nan 8.280 nan 0.000 0.501 441 M N -0.085 119.149 119.600 -0.609 0.000 2.108 441 M HA -0.255 4.225 4.480 -0.000 0.000 0.261 441 M C 2.188 178.380 176.300 -0.180 0.000 1.066 441 M CA 2.056 57.058 55.300 -0.497 0.000 1.107 441 M CB -0.035 32.293 32.600 -0.454 0.000 1.356 441 M HN 0.434 nan 8.290 nan 0.000 0.406 442 Q N 0.101 119.811 119.800 -0.150 0.000 2.050 442 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 442 Q C 1.774 177.736 176.000 -0.063 0.000 0.980 442 Q CA 1.865 57.628 55.803 -0.067 0.000 0.840 442 Q CB -0.188 28.508 28.738 -0.071 0.000 0.898 442 Q HN 0.600 nan 8.270 nan 0.000 0.424 443 N N 0.387 119.018 118.700 -0.115 0.000 2.149 443 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 443 N C 1.532 176.956 175.510 -0.143 0.000 1.019 443 N CA 1.038 54.032 53.050 -0.094 0.000 0.857 443 N CB -0.135 38.319 38.487 -0.055 0.000 0.997 443 N HN 0.254 nan 8.380 nan 0.000 0.426 444 E N 0.421 120.446 120.200 -0.292 0.000 2.051 444 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 444 E C 1.946 178.382 176.600 -0.272 0.000 0.991 444 E CA 0.821 57.009 56.400 -0.354 0.000 0.799 444 E CB -0.512 28.849 29.700 -0.565 0.000 0.748 444 E HN 0.487 nan 8.360 nan 0.000 0.449 445 Y N 0.773 120.968 120.300 -0.176 0.000 2.224 445 Y HA -0.145 4.405 4.550 -0.000 0.000 0.289 445 Y C 2.607 178.454 175.900 -0.089 0.000 1.146 445 Y CA 1.506 59.540 58.100 -0.111 0.000 1.182 445 Y CB -0.107 38.286 38.460 -0.111 0.000 0.983 445 Y HN -0.046 nan 8.280 nan 0.000 0.524 446 R N -0.226 120.296 120.500 0.038 0.000 2.236 446 R HA 0.016 4.356 4.340 -0.000 0.000 0.208 446 R C 1.825 178.114 176.300 -0.018 0.000 1.036 446 R CA 0.936 57.039 56.100 0.006 0.000 1.001 446 R CB -0.080 30.216 30.300 -0.005 0.000 0.896 446 R HN 0.268 nan 8.270 nan 0.000 0.464 447 A N 0.562 123.351 122.820 -0.051 0.000 2.055 447 A HA 0.088 4.408 4.320 -0.000 0.000 0.205 447 A C 1.257 178.804 177.584 -0.061 0.000 1.235 447 A CA 0.348 52.357 52.037 -0.047 0.000 0.822 447 A CB 0.243 19.212 19.000 -0.052 0.000 0.903 447 A HN 0.399 nan 8.150 nan 0.000 0.473 448 R N -2.104 118.332 120.500 -0.106 0.000 2.548 448 R HA 0.365 4.705 4.340 -0.000 0.000 0.449 448 R C 0.608 176.834 176.300 -0.122 0.000 0.928 448 R CA 0.194 56.234 56.100 -0.100 0.000 1.107 448 R CB -0.868 29.363 30.300 -0.116 0.000 1.557 448 R HN 0.791 nan 8.270 nan 0.000 0.584 449 G N 0.119 108.850 108.800 -0.115 0.000 2.395 449 G HA2 -0.015 3.944 3.960 -0.000 0.000 0.300 449 G HA3 -0.015 3.944 3.960 -0.000 0.000 0.300 449 G C 0.286 175.012 174.900 -0.290 0.000 0.998 449 G CA 0.442 45.488 45.100 -0.091 0.000 1.046 449 G HN 1.014 nan 8.290 nan 0.000 0.513 450 G N -2.542 105.791 108.800 -0.779 0.000 2.328 450 G HA2 0.570 4.530 3.960 -0.000 0.000 0.299 450 G HA3 0.570 4.530 3.960 -0.000 0.000 0.299 450 G C -0.822 173.596 174.900 -0.803 0.000 1.435 450 G CA 0.245 44.803 45.100 -0.903 0.000 0.865 450 G HN 1.969 nan 8.290 nan 0.000 0.601 451 C N 2.252 121.277 119.300 -0.459 0.000 3.130 451 C HA 0.547 5.007 4.460 -0.000 0.000 0.386 451 C C -2.598 172.275 174.990 -0.195 0.000 1.064 451 C CA -0.960 57.891 59.018 -0.278 0.000 1.298 451 C CB 0.623 28.207 27.740 -0.261 0.000 1.675 451 C HN 0.743 nan 8.230 nan 0.000 0.527 452 P HA 0.369 nan 4.420 nan 0.000 0.265 452 P C -0.529 176.637 177.300 -0.224 0.000 1.193 452 P CA 0.743 63.398 63.100 -0.741 0.000 0.765 452 P CB 0.964 32.150 31.700 -0.857 0.000 0.823 453 A N 2.369 125.108 122.820 -0.135 0.000 2.459 453 A HA 0.369 4.688 4.320 -0.000 0.000 0.296 453 A C -1.042 176.569 177.584 0.045 0.000 1.039 453 A CA -0.546 51.522 52.037 0.052 0.000 0.698 453 A CB 1.190 20.337 19.000 0.245 0.000 1.261 453 A HN 0.441 nan 8.150 nan 0.000 0.405 454 D N 2.230 122.661 120.400 0.052 0.000 2.467 454 D HA 0.147 4.787 4.640 -0.000 0.000 0.220 454 D C 0.860 177.281 176.300 0.202 0.000 1.103 454 D CA -0.463 53.612 54.000 0.126 0.000 0.886 454 D CB 0.282 41.144 40.800 0.103 0.000 1.025 454 D HN 0.608 nan 8.370 nan 0.000 0.514 455 W N 4.306 125.638 121.300 0.054 0.000 2.304 455 W HA -0.253 4.407 4.660 -0.000 0.000 0.315 455 W C 1.780 178.337 176.519 0.063 0.000 1.233 455 W CA 1.372 58.739 57.345 0.036 0.000 1.261 455 W CB -0.111 29.349 29.460 -0.001 0.000 1.150 455 W HN 0.473 nan 8.180 nan 0.000 0.494 456 I N -1.246 119.604 120.570 0.468 0.000 2.335 456 I HA -0.299 3.871 4.170 -0.000 0.000 0.251 456 I C 1.724 177.947 176.117 0.177 0.000 1.129 456 I CA 1.382 62.899 61.300 0.362 0.000 1.402 456 I CB -0.645 37.601 38.000 0.410 0.000 1.069 456 I HN 0.106 nan 8.210 nan 0.000 0.424 457 W N 0.088 121.378 121.300 -0.017 0.000 2.762 457 W HA 0.160 4.820 4.660 -0.000 0.000 0.265 457 W C 2.170 178.587 176.519 -0.170 0.000 1.263 457 W CA 0.180 57.488 57.345 -0.063 0.000 1.411 457 W CB -0.227 29.224 29.460 -0.015 0.000 1.065 457 W HN -0.062 nan 8.180 nan 0.000 0.609 458 L N -0.205 120.983 121.223 -0.058 0.000 2.313 458 L HA 0.018 4.358 4.340 -0.000 0.000 0.214 458 L C 0.559 177.221 176.870 -0.347 0.000 1.119 458 L CA 0.318 54.990 54.840 -0.279 0.000 0.809 458 L CB -0.762 41.041 42.059 -0.426 0.000 0.933 458 L HN -0.394 nan 8.230 nan 0.000 0.449 459 V N 1.561 121.204 119.914 -0.452 0.000 2.455 459 V HA 0.152 4.272 4.120 -0.000 0.000 0.273 459 V C -1.836 174.093 176.094 -0.275 0.000 1.045 459 V CA -1.428 60.594 62.300 -0.463 0.000 0.976 459 V CB 0.554 31.907 31.823 -0.783 0.000 0.993 459 V HN 0.035 nan 8.190 nan 0.000 0.475 460 P HA 0.056 nan 4.420 nan 0.000 0.267 460 P C -1.821 175.371 177.300 -0.179 0.000 1.201 460 P CA -0.882 62.119 63.100 -0.166 0.000 0.775 460 P CB 0.031 31.684 31.700 -0.079 0.000 0.854 461 P HA -0.053 nan 4.420 nan 0.000 0.239 461 P C -0.107 177.097 177.300 -0.159 0.000 1.184 461 P CA 0.974 63.961 63.100 -0.189 0.000 0.760 461 P CB 0.077 31.649 31.700 -0.214 0.000 0.884 462 V N -6.966 112.848 119.914 -0.166 0.000 3.178 462 V HA 0.544 4.664 4.120 -0.000 0.000 0.302 462 V C 0.450 176.514 176.094 -0.050 0.000 1.262 462 V CA -0.650 61.581 62.300 -0.115 0.000 1.030 462 V CB 1.328 33.067 31.823 -0.140 0.000 1.074 462 V HN -0.133 nan 8.190 nan 0.000 0.438 463 S N 0.479 116.171 115.700 -0.014 0.000 3.270 463 S HA -0.228 4.242 4.470 -0.000 0.000 0.293 463 S C 1.639 176.208 174.600 -0.052 0.000 1.278 463 S CA 1.797 60.007 58.200 0.017 0.000 1.038 463 S CB -1.738 61.535 63.200 0.122 0.000 1.218 463 S HN 2.220 nan 8.310 nan 0.000 0.659 464 G N 1.821 110.567 108.800 -0.089 0.000 2.802 464 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.222 464 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.222 464 G C 1.413 176.123 174.900 -0.317 0.000 1.248 464 G CA 1.876 46.910 45.100 -0.110 0.000 0.787 464 G HN 0.965 nan 8.290 nan 0.000 0.643 465 S N -0.069 115.151 115.700 -0.799 0.000 2.440 465 S HA -0.068 4.402 4.470 -0.000 0.000 0.238 465 S C 2.223 176.698 174.600 -0.209 0.000 1.010 465 S CA 1.098 58.651 58.200 -1.078 0.000 0.972 465 S CB -0.241 62.404 63.200 -0.925 0.000 0.774 465 S HN 0.254 nan 8.310 nan 0.000 0.501 466 I N 1.918 122.437 120.570 -0.085 0.000 2.928 466 I HA 0.045 4.215 4.170 -0.000 0.000 0.266 466 I C 1.344 177.544 176.117 0.139 0.000 1.234 466 I CA 0.626 61.965 61.300 0.066 0.000 1.483 466 I CB -1.958 36.103 38.000 0.103 0.000 1.097 466 I HN 0.437 nan 8.210 nan 0.000 0.455 467 T N -0.779 113.842 114.554 0.110 0.000 2.907 467 T HA 0.331 4.681 4.350 -0.000 0.000 0.284 467 T C -1.415 173.427 174.700 0.236 0.000 1.004 467 T CA -1.730 60.453 62.100 0.140 0.000 1.063 467 T CB 2.225 71.121 68.868 0.047 0.000 0.992 467 T HN -0.070 nan 8.240 nan 0.000 0.483 468 P HA -0.019 nan 4.420 nan 0.000 0.223 468 P C 1.619 179.107 177.300 0.312 0.000 1.151 468 P CA 0.322 63.608 63.100 0.310 0.000 0.787 468 P CB -0.098 31.726 31.700 0.208 0.000 0.788 469 V N -0.373 119.673 119.914 0.219 0.000 2.490 469 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 469 V C 2.359 178.532 176.094 0.132 0.000 1.061 469 V CA 1.588 63.986 62.300 0.162 0.000 1.064 469 V CB -1.532 30.307 31.823 0.027 0.000 0.670 469 V HN -0.012 nan 8.190 nan 0.000 0.461 470 F N 0.757 120.675 119.950 -0.052 0.000 2.134 470 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 470 F C 2.377 178.293 175.800 0.194 0.000 1.097 470 F CA 1.825 59.814 58.000 -0.018 0.000 1.264 470 F CB -0.249 38.625 39.000 -0.209 0.000 1.001 470 F HN 0.306 nan 8.300 nan 0.000 0.479 471 H N -0.827 118.585 119.070 0.570 0.000 2.539 471 H HA 0.091 4.647 4.556 -0.000 0.000 0.267 471 H C 0.290 175.862 175.328 0.406 0.000 0.982 471 H CA 0.246 56.573 56.048 0.466 0.000 1.146 471 H CB -0.234 29.783 29.762 0.424 0.000 1.382 471 H HN 0.259 nan 8.280 nan 0.000 0.577 472 Q N 1.965 122.032 119.800 0.444 0.000 2.314 472 Q HA 0.158 4.498 4.340 -0.000 0.000 0.259 472 Q C -0.559 175.655 176.000 0.357 0.000 0.951 472 Q CA -0.376 55.636 55.803 0.348 0.000 0.909 472 Q CB 0.790 29.701 28.738 0.289 0.000 1.236 472 Q HN 0.248 nan 8.270 nan 0.000 0.444 473 E N 3.849 124.202 120.200 0.254 0.000 2.373 473 E HA 0.448 4.798 4.350 -0.000 0.000 0.263 473 E C -0.329 176.376 176.600 0.175 0.000 1.073 473 E CA -0.014 56.489 56.400 0.172 0.000 0.894 473 E CB 0.803 30.593 29.700 0.149 0.000 1.008 473 E HN 0.685 nan 8.360 nan 0.000 0.420 474 M N 0.525 120.224 119.600 0.166 0.000 2.578 474 M HA 0.469 4.949 4.480 -0.000 0.000 0.276 474 M C -1.564 174.811 176.300 0.125 0.000 1.245 474 M CA -0.920 54.491 55.300 0.185 0.000 0.871 474 M CB 1.317 34.078 32.600 0.269 0.000 1.722 474 M HN 0.224 nan 8.290 nan 0.000 0.473 475 L N 1.690 122.995 121.223 0.137 0.000 2.329 475 L HA 0.595 4.935 4.340 -0.000 0.000 0.279 475 L C -0.730 176.144 176.870 0.007 0.000 1.014 475 L CA -0.743 54.160 54.840 0.105 0.000 0.814 475 L CB 1.796 43.974 42.059 0.197 0.000 1.257 475 L HN 0.706 nan 8.230 nan 0.000 0.424 476 N N 2.533 121.171 118.700 -0.104 0.000 2.417 476 N HA 0.510 5.250 4.740 -0.000 0.000 0.274 476 N C -1.628 173.651 175.510 -0.384 0.000 0.987 476 N CA -0.273 52.576 53.050 -0.335 0.000 0.912 476 N CB 0.879 39.122 38.487 -0.406 0.000 1.177 476 N HN 0.432 nan 8.380 nan 0.000 0.490 477 Y N -0.224 119.905 120.300 -0.284 0.000 2.581 477 Y HA 0.526 5.076 4.550 -0.000 0.000 0.337 477 Y C -1.160 174.662 175.900 -0.129 0.000 1.108 477 Y CA -1.332 56.635 58.100 -0.222 0.000 1.033 477 Y CB 0.540 38.938 38.460 -0.104 0.000 1.318 477 Y HN -0.003 nan 8.280 nan 0.000 0.459 478 V N 4.715 124.641 119.914 0.019 0.000 2.368 478 V HA 0.296 4.416 4.120 -0.000 0.000 0.266 478 V C 0.275 176.260 176.094 -0.181 0.000 1.045 478 V CA -0.244 61.863 62.300 -0.322 0.000 0.899 478 V CB 0.181 31.731 31.823 -0.455 0.000 1.006 478 V HN 0.745 nan 8.190 nan 0.000 0.470 479 L N 3.139 124.288 121.223 -0.123 0.000 2.874 479 L HA 0.721 5.061 4.340 -0.000 0.000 0.229 479 L C 0.373 177.236 176.870 -0.012 0.000 1.200 479 L CA -0.422 54.430 54.840 0.020 0.000 0.976 479 L CB 1.387 43.512 42.059 0.109 0.000 1.887 479 L HN 0.612 nan 8.230 nan 0.000 0.543 480 S N -0.981 114.755 115.700 0.059 0.000 2.543 480 S HA 0.491 4.961 4.470 -0.000 0.000 0.273 480 S C -2.708 171.950 174.600 0.097 0.000 1.152 480 S CA -1.009 57.234 58.200 0.072 0.000 0.910 480 S CB 1.886 65.118 63.200 0.053 0.000 1.105 480 S HN 0.126 nan 8.310 nan 0.000 0.465 481 P HA 0.422 nan 4.420 nan 0.000 0.270 481 P C -1.263 176.011 177.300 -0.043 0.000 1.227 481 P CA 0.015 63.087 63.100 -0.048 0.000 0.788 481 P CB 0.218 31.823 31.700 -0.158 0.000 0.926 482 F N 0.236 119.970 119.950 -0.360 0.000 2.678 482 F HA 0.399 4.925 4.527 -0.000 0.000 0.308 482 F C -1.628 173.828 175.800 -0.573 0.000 1.118 482 F CA -0.734 56.967 58.000 -0.498 0.000 0.959 482 F CB 1.104 39.779 39.000 -0.541 0.000 1.305 482 F HN 0.156 nan 8.300 nan 0.000 0.443 483 Y N 4.444 124.243 120.300 -0.836 0.000 2.404 483 Y HA 0.437 4.987 4.550 -0.000 0.000 0.344 483 Y C -0.868 174.721 175.900 -0.519 0.000 0.970 483 Y CA -0.592 57.205 58.100 -0.506 0.000 1.180 483 Y CB 0.312 38.467 38.460 -0.508 0.000 1.138 483 Y HN 0.369 nan 8.280 nan 0.000 0.510 484 Y N 1.308 121.658 120.300 0.084 0.000 2.488 484 Y HA 0.386 4.936 4.550 -0.000 0.000 0.325 484 Y C -0.172 175.722 175.900 -0.010 0.000 1.204 484 Y CA -1.062 57.091 58.100 0.089 0.000 1.229 484 Y CB 0.822 39.384 38.460 0.169 0.000 1.274 484 Y HN 0.439 nan 8.280 nan 0.000 0.493 485 Y N 0.402 120.875 120.300 0.287 0.000 2.282 485 Y HA 0.400 4.950 4.550 -0.000 0.000 0.335 485 Y C -0.014 175.944 175.900 0.097 0.000 1.335 485 Y CA -0.738 57.443 58.100 0.135 0.000 1.529 485 Y CB 0.632 39.140 38.460 0.081 0.000 1.429 485 Y HN 0.423 nan 8.280 nan 0.000 0.563 486 Q N 0.018 119.945 119.800 0.211 0.000 2.501 486 Q HA 0.433 4.773 4.340 -0.000 0.000 0.288 486 Q C -1.692 174.274 176.000 -0.057 0.000 1.051 486 Q CA -1.194 54.640 55.803 0.052 0.000 0.788 486 Q CB 2.547 31.292 28.738 0.012 0.000 1.469 486 Q HN 0.353 nan 8.270 nan 0.000 0.416 487 I N 1.541 122.038 120.570 -0.122 0.000 2.575 487 I HA 0.011 4.181 4.170 -0.000 0.000 0.285 487 I C 0.254 176.142 176.117 -0.382 0.000 1.085 487 I CA 0.229 61.401 61.300 -0.212 0.000 1.403 487 I CB 0.466 38.356 38.000 -0.184 0.000 1.409 487 I HN 0.453 nan 8.210 nan 0.000 0.557 488 E N 8.280 128.138 120.200 -0.569 0.000 2.558 488 E HA -0.072 4.278 4.350 -0.000 0.000 0.255 488 E C -1.354 174.584 176.600 -1.103 0.000 0.968 488 E CA -0.629 55.116 56.400 -1.092 0.000 0.939 488 E CB 0.265 28.952 29.700 -1.689 0.000 0.921 488 E HN 0.423 nan 8.360 nan 0.000 0.477 489 P HA -0.204 nan 4.420 nan 0.000 0.216 489 P C 0.731 177.475 177.300 -0.926 0.000 1.150 489 P CA 1.489 64.003 63.100 -0.976 0.000 0.843 489 P CB -0.163 30.724 31.700 -1.354 0.000 0.787 490 W N 0.676 121.439 121.300 -0.895 0.000 2.848 490 W HA 0.180 4.840 4.660 -0.000 0.000 0.241 490 W C 1.369 177.883 176.519 -0.009 0.000 1.289 490 W CA 0.184 57.313 57.345 -0.361 0.000 1.396 490 W CB -1.170 28.259 29.460 -0.051 0.000 1.138 490 W HN -0.070 nan 8.180 nan 0.000 0.677 491 K N 0.104 120.340 120.400 -0.273 0.000 2.367 491 K HA 0.096 4.415 4.320 -0.000 0.000 0.195 491 K C 1.102 177.679 176.600 -0.039 0.000 1.060 491 K CA 1.178 57.408 56.287 -0.095 0.000 1.022 491 K CB 0.312 32.678 32.500 -0.224 0.000 0.894 491 K HN 0.191 nan 8.250 nan 0.000 0.540 492 T N -2.089 112.415 114.554 -0.085 0.000 3.252 492 T HA 0.123 4.473 4.350 -0.000 0.000 0.286 492 T C -0.448 174.266 174.700 0.023 0.000 1.013 492 T CA -0.519 61.559 62.100 -0.037 0.000 0.914 492 T CB -0.303 68.514 68.868 -0.085 0.000 1.131 492 T HN 0.026 nan 8.240 nan 0.000 0.529 493 H N 1.398 120.451 119.070 -0.029 0.000 2.489 493 H HA 0.569 5.125 4.556 -0.000 0.000 0.322 493 H C -0.405 174.911 175.328 -0.020 0.000 1.091 493 H CA -1.315 54.697 56.048 -0.060 0.000 1.291 493 H CB 0.518 30.223 29.762 -0.095 0.000 1.436 493 H HN 0.276 nan 8.280 nan 0.000 0.480 494 I N 6.129 126.320 120.570 -0.632 0.000 2.308 494 I HA 0.049 4.219 4.170 -0.000 0.000 0.293 494 I C -0.121 175.613 176.117 -0.639 0.000 1.078 494 I CA -0.383 60.678 61.300 -0.398 0.000 1.292 494 I CB 0.053 37.902 38.000 -0.252 0.000 1.423 494 I HN 0.488 nan 8.210 nan 0.000 0.493 495 W N 0.000 121.156 121.300 -0.241 0.000 2.388 495 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 495 W CA 0.000 57.309 57.345 -0.060 0.000 1.226 495 W CB 0.000 29.516 29.460 0.094 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535