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 1nma_1_N DATA FIRST_RESID 82 DATA SEQUENCE REFNNLTKGL cTINSWHIYG KDNAVRIGED SDVLVTREPY VScDPDEcRF DATA SEQUENCE YALSQGTTIR GKHSNGTIHD RSQYRDLISW PLSSPPTYNS RVEcIGWSST DATA SEQUENCE ScHDGRARMS IcISGPNNNA SAVIWYNRRP VTEINTWARN ILRTQESEcV DATA SEQUENCE cQNGVcPVVF TDGSATGPAE TRIYYFKEGK ILKWEPLTGT AKHIEEcScY DATA SEQUENCE GEQAGVTcTc RDNWQGSNRP VIQIDPVAMT HTSQYIcSPV LTDNPRPNDP DATA SEQUENCE TVXGKcNDPY PGNNNNGVKG FSYLDGGNTW LGRTISIASR SGYEMLKVPN DATA SEQUENCE ALTDDKSRPT QXGQTIVLNT DWSGYSGSFM WAEGEcYRAc FYVELIRGRP DATA SEQUENCE KEDKVWWTSN SIVSMcSSTE FLGQWNW 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 82 R HA 0.000 nan 4.340 nan 0.000 0.208 82 R C 0.000 176.275 176.300 -0.042 0.000 0.893 82 R CA 0.000 56.085 56.100 -0.025 0.000 0.921 82 R CB 0.000 30.276 30.300 -0.040 0.000 0.687 83 E N 3.416 123.592 120.200 -0.040 0.000 2.597 83 E HA 0.158 4.508 4.350 -0.000 0.000 0.310 83 E C -1.425 175.215 176.600 0.065 0.000 0.970 83 E CA -0.569 55.826 56.400 -0.007 0.000 0.819 83 E CB 1.254 31.007 29.700 0.088 0.000 1.267 83 E HN 0.267 nan 8.360 nan 0.000 0.411 84 F N 2.415 122.464 119.950 0.164 0.000 2.533 84 F HA 0.070 4.597 4.527 -0.000 0.000 0.378 84 F C 1.199 177.106 175.800 0.178 0.000 1.070 84 F CA -0.202 57.909 58.000 0.186 0.000 1.172 84 F CB -0.098 38.987 39.000 0.141 0.000 1.085 84 F HN 0.384 nan 8.300 nan 0.000 0.552 85 N N 3.197 122.133 118.700 0.392 0.000 2.353 85 N HA -0.050 4.690 4.740 -0.000 0.000 0.248 85 N C -0.954 174.649 175.510 0.156 0.000 1.240 85 N CA 0.315 53.509 53.050 0.239 0.000 0.862 85 N CB 0.318 38.930 38.487 0.208 0.000 1.086 85 N HN 0.471 nan 8.380 nan 0.000 0.453 86 N N 2.346 121.100 118.700 0.091 0.000 2.258 86 N HA 0.288 5.028 4.740 -0.000 0.000 0.299 86 N C -1.185 174.363 175.510 0.064 0.000 1.047 86 N CA -0.590 52.507 53.050 0.077 0.000 0.814 86 N CB 1.127 39.663 38.487 0.082 0.000 1.413 86 N HN 0.409 nan 8.380 nan 0.000 0.478 87 L N 2.074 123.341 121.223 0.074 0.000 2.462 87 L HA 0.172 4.512 4.340 -0.000 0.000 0.283 87 L C 1.208 178.161 176.870 0.139 0.000 1.166 87 L CA 0.619 55.546 54.840 0.144 0.000 0.964 87 L CB -0.949 41.188 42.059 0.130 0.000 1.294 87 L HN 0.570 nan 8.230 nan 0.000 0.449 88 T N 1.891 116.528 114.554 0.139 0.000 3.069 88 T HA 0.170 4.520 4.350 -0.000 0.000 0.252 88 T C 0.850 175.525 174.700 -0.041 0.000 1.053 88 T CA 0.284 62.412 62.100 0.047 0.000 0.964 88 T CB 0.454 69.345 68.868 0.038 0.000 1.005 88 T HN 0.402 nan 8.240 nan 0.000 0.532 89 K N -0.069 120.255 120.400 -0.126 0.000 2.349 89 K HA 0.673 4.993 4.320 -0.000 0.000 0.243 89 K C 0.157 176.616 176.600 -0.236 0.000 1.058 89 K CA -1.075 54.984 56.287 -0.381 0.000 0.871 89 K CB 1.730 33.648 32.500 -0.969 0.000 1.337 89 K HN 0.088 nan 8.250 nan 0.000 0.469 90 G N 0.207 108.873 108.800 -0.223 0.000 2.552 90 G HA2 0.443 4.403 3.960 -0.000 0.000 0.318 90 G HA3 0.443 4.403 3.960 -0.000 0.000 0.318 90 G C -0.828 174.057 174.900 -0.025 0.000 1.240 90 G CA -0.660 44.408 45.100 -0.054 0.000 1.002 90 G HN 0.167 nan 8.290 nan 0.000 0.493 91 L N -0.202 121.061 121.223 0.065 0.000 2.375 91 L HA 0.307 4.647 4.340 -0.000 0.000 0.271 91 L C 0.337 177.185 176.870 -0.037 0.000 1.107 91 L CA -0.234 54.633 54.840 0.044 0.000 0.806 91 L CB 1.064 43.166 42.059 0.071 0.000 1.146 91 L HN 0.450 nan 8.230 nan 0.000 0.447 92 c N 0.448 118.991 118.600 -0.095 0.000 2.362 92 c HA 0.339 4.909 4.570 -0.000 0.000 0.363 92 c C 0.878 174.901 174.090 -0.112 0.000 1.220 92 c CA -0.778 55.487 56.329 -0.106 0.000 2.379 92 c CB 0.781 43.211 42.510 -0.133 0.000 2.351 92 c HN 0.762 nan 8.230 nan 0.000 0.582 93 T N 2.593 117.096 114.554 -0.086 0.000 2.765 93 T HA 0.173 4.523 4.350 -0.000 0.000 0.284 93 T C -0.028 174.577 174.700 -0.159 0.000 0.946 93 T CA 0.598 62.658 62.100 -0.067 0.000 1.185 93 T CB -0.517 68.331 68.868 -0.033 0.000 0.887 93 T HN 0.372 nan 8.240 nan 0.000 0.532 94 I N 4.423 124.898 120.570 -0.158 0.000 2.301 94 I HA 0.224 4.393 4.170 -0.000 0.000 0.292 94 I C 1.145 177.136 176.117 -0.209 0.000 1.046 94 I CA -0.355 60.705 61.300 -0.400 0.000 1.282 94 I CB 0.539 38.190 38.000 -0.582 0.000 1.409 94 I HN 0.663 nan 8.210 nan 0.000 0.484 95 N N 2.891 121.363 118.700 -0.378 0.000 2.382 95 N HA 0.143 4.883 4.740 -0.000 0.000 0.200 95 N C 0.280 175.584 175.510 -0.342 0.000 1.122 95 N CA 0.171 53.004 53.050 -0.362 0.000 0.870 95 N CB 1.173 39.084 38.487 -0.959 0.000 1.176 95 N HN 0.459 nan 8.380 nan 0.000 0.474 96 S N -1.212 114.227 115.700 -0.435 0.000 2.776 96 S HA 0.540 5.010 4.470 -0.000 0.000 0.292 96 S C -2.173 172.203 174.600 -0.374 0.000 1.187 96 S CA -0.559 57.513 58.200 -0.213 0.000 0.834 96 S CB 1.679 64.822 63.200 -0.095 0.000 1.199 96 S HN 0.130 nan 8.310 nan 0.000 0.514 97 W N 3.508 124.739 121.300 -0.116 0.000 2.830 97 W HA 0.357 5.017 4.660 -0.000 0.000 0.335 97 W C -0.696 175.816 176.519 -0.012 0.000 1.043 97 W CA -0.369 56.905 57.345 -0.119 0.000 1.239 97 W CB 1.218 30.632 29.460 -0.078 0.000 1.378 97 W HN 0.839 nan 8.180 nan 0.000 0.456 98 H N 3.394 122.517 119.070 0.089 0.000 2.525 98 H HA 0.421 4.977 4.556 -0.000 0.000 0.340 98 H C 0.620 176.002 175.328 0.090 0.000 1.168 98 H CA -0.719 55.390 56.048 0.102 0.000 1.247 98 H CB 1.816 31.602 29.762 0.040 0.000 1.568 98 H HN 0.208 nan 8.280 nan 0.000 0.536 99 I N 0.554 121.198 120.570 0.123 0.000 2.892 99 I HA -0.065 4.105 4.170 -0.000 0.000 0.287 99 I C 0.133 176.279 176.117 0.048 0.000 1.205 99 I CA -0.100 61.135 61.300 -0.109 0.000 1.409 99 I CB -0.398 37.418 38.000 -0.307 0.000 1.367 99 I HN 0.736 nan 8.210 nan 0.000 0.597 100 Y N 3.199 123.405 120.300 -0.157 0.000 2.886 100 Y HA 0.524 5.073 4.550 -0.000 0.000 0.244 100 Y C 0.952 176.848 175.900 -0.007 0.000 1.017 100 Y CA 0.555 58.640 58.100 -0.024 0.000 1.389 100 Y CB 0.514 38.968 38.460 -0.009 0.000 1.477 100 Y HN 0.701 nan 8.280 nan 0.000 0.466 101 G N 0.533 109.381 108.800 0.081 0.000 2.605 101 G HA2 0.544 4.503 3.960 -0.000 0.000 0.296 101 G HA3 0.544 4.503 3.960 -0.000 0.000 0.296 101 G C -1.931 173.049 174.900 0.133 0.000 1.304 101 G CA -0.881 44.265 45.100 0.077 0.000 0.941 101 G HN 0.130 nan 8.290 nan 0.000 0.475 102 K N 0.557 121.072 120.400 0.192 0.000 2.575 102 K HA 0.314 4.634 4.320 -0.000 0.000 0.255 102 K C -2.017 174.741 176.600 0.263 0.000 0.953 102 K CA -0.732 55.659 56.287 0.173 0.000 0.840 102 K CB 1.828 34.364 32.500 0.061 0.000 1.303 102 K HN 0.662 nan 8.250 nan 0.000 0.438 103 D N 2.689 123.292 120.400 0.338 0.000 2.391 103 D HA 0.193 4.833 4.640 -0.000 0.000 0.245 103 D C -0.748 175.659 176.300 0.180 0.000 1.069 103 D CA -0.588 53.599 54.000 0.312 0.000 0.831 103 D CB 1.494 42.615 40.800 0.535 0.000 1.204 103 D HN 0.560 nan 8.370 nan 0.000 0.503 104 N N 1.489 120.262 118.700 0.122 0.000 2.466 104 N HA 0.240 4.980 4.740 -0.000 0.000 0.251 104 N C 1.487 177.030 175.510 0.055 0.000 1.164 104 N CA -0.037 53.067 53.050 0.091 0.000 0.888 104 N CB 0.744 39.281 38.487 0.083 0.000 1.177 104 N HN 0.573 nan 8.380 nan 0.000 0.498 105 A N -0.128 122.718 122.820 0.043 0.000 1.935 105 A HA -0.277 4.043 4.320 -0.000 0.000 0.224 105 A C 2.183 179.741 177.584 -0.042 0.000 1.324 105 A CA 2.078 54.100 52.037 -0.024 0.000 0.686 105 A CB -0.974 17.997 19.000 -0.048 0.000 0.837 105 A HN 0.253 nan 8.150 nan 0.000 0.481 106 V N -0.437 119.477 119.914 -0.001 0.000 2.307 106 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 106 V C 2.665 178.767 176.094 0.014 0.000 1.045 106 V CA 2.374 64.677 62.300 0.005 0.000 1.024 106 V CB -0.757 31.126 31.823 0.099 0.000 0.651 106 V HN 0.595 nan 8.190 nan 0.000 0.449 107 R N -0.585 119.937 120.500 0.037 0.000 2.096 107 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 107 R C 2.115 178.422 176.300 0.012 0.000 1.127 107 R CA 1.473 57.594 56.100 0.035 0.000 0.968 107 R CB -0.445 29.880 30.300 0.042 0.000 0.861 107 R HN 0.367 nan 8.270 nan 0.000 0.440 108 I N 0.211 120.780 120.570 -0.002 0.000 2.252 108 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 108 I C 2.425 178.517 176.117 -0.041 0.000 1.102 108 I CA 1.504 62.793 61.300 -0.019 0.000 1.385 108 I CB -0.737 37.248 38.000 -0.025 0.000 1.064 108 I HN 0.232 nan 8.210 nan 0.000 0.414 109 G N -0.562 108.196 108.800 -0.069 0.000 2.498 109 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 109 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 109 G C 1.565 176.407 174.900 -0.097 0.000 1.119 109 G CA 0.418 45.452 45.100 -0.111 0.000 0.766 109 G HN 0.377 nan 8.290 nan 0.000 0.552 110 E N 0.335 120.505 120.200 -0.050 0.000 2.338 110 E HA -0.088 4.261 4.350 -0.000 0.000 0.197 110 E C 0.230 176.818 176.600 -0.021 0.000 1.007 110 E CA 0.631 57.018 56.400 -0.022 0.000 0.849 110 E CB 0.074 29.786 29.700 0.019 0.000 0.774 110 E HN 0.371 nan 8.360 nan 0.000 0.506 111 D N -0.136 120.249 120.400 -0.025 0.000 3.078 111 D HA 0.172 4.812 4.640 -0.000 0.000 0.363 111 D C -1.289 174.997 176.300 -0.022 0.000 1.391 111 D CA 0.038 54.026 54.000 -0.019 0.000 0.754 111 D CB 0.372 41.167 40.800 -0.008 0.000 1.238 111 D HN -0.143 nan 8.370 nan 0.000 0.500 112 S N -0.313 115.367 115.700 -0.034 0.000 2.567 112 S HA 0.186 4.656 4.470 -0.000 0.000 0.270 112 S C -1.302 173.276 174.600 -0.037 0.000 1.152 112 S CA -0.733 57.453 58.200 -0.023 0.000 0.835 112 S CB 1.962 65.146 63.200 -0.028 0.000 1.115 112 S HN -0.035 nan 8.310 nan 0.000 0.459 113 D N 2.101 122.504 120.400 0.005 0.000 2.619 113 D HA 0.329 4.969 4.640 -0.000 0.000 0.224 113 D C -0.351 175.875 176.300 -0.123 0.000 1.133 113 D CA 0.199 54.176 54.000 -0.039 0.000 1.017 113 D CB -0.039 40.796 40.800 0.059 0.000 1.077 113 D HN 0.124 nan 8.370 nan 0.000 0.503 114 V N 1.667 121.488 119.914 -0.155 0.000 2.567 114 V HA 0.299 4.419 4.120 -0.000 0.000 0.289 114 V C 0.742 176.692 176.094 -0.240 0.000 1.049 114 V CA -0.835 61.335 62.300 -0.217 0.000 0.969 114 V CB 1.709 33.408 31.823 -0.207 0.000 0.995 114 V HN 0.241 nan 8.190 nan 0.000 0.471 115 L N 3.317 124.376 121.223 -0.273 0.000 2.399 115 L HA 0.430 4.770 4.340 -0.000 0.000 0.266 115 L C -0.217 176.517 176.870 -0.228 0.000 1.114 115 L CA -0.568 54.130 54.840 -0.237 0.000 0.804 115 L CB 1.637 43.558 42.059 -0.230 0.000 1.146 115 L HN 0.351 nan 8.230 nan 0.000 0.451 116 V N 1.605 121.411 119.914 -0.180 0.000 2.455 116 V HA 0.252 4.371 4.120 -0.000 0.000 0.273 116 V C 0.570 176.612 176.094 -0.087 0.000 1.045 116 V CA -0.120 62.091 62.300 -0.149 0.000 0.976 116 V CB 0.741 32.494 31.823 -0.115 0.000 0.993 116 V HN 0.994 nan 8.190 nan 0.000 0.475 117 T N 3.707 118.219 114.554 -0.070 0.000 2.678 117 T HA 0.840 5.190 4.350 -0.000 0.000 0.260 117 T C -0.289 174.423 174.700 0.019 0.000 0.932 117 T CA -0.909 61.182 62.100 -0.015 0.000 1.043 117 T CB 2.390 71.248 68.868 -0.016 0.000 1.413 117 T HN 0.548 nan 8.240 nan 0.000 0.568 118 R N -0.275 120.250 120.500 0.042 0.000 3.110 118 R HA 0.147 4.487 4.340 -0.000 0.000 0.287 118 R C -1.525 174.807 176.300 0.054 0.000 0.969 118 R CA -0.411 55.706 56.100 0.028 0.000 0.828 118 R CB 0.660 30.964 30.300 0.005 0.000 1.354 118 R HN 1.094 nan 8.270 nan 0.000 0.524 119 E N 0.277 120.487 120.200 0.016 0.000 2.504 119 E HA -0.160 4.190 4.350 -0.000 0.000 0.183 119 E C -2.697 174.008 176.600 0.175 0.000 1.857 119 E CA 0.536 57.001 56.400 0.109 0.000 0.670 119 E CB -1.160 28.635 29.700 0.158 0.000 1.024 119 E HN 0.302 nan 8.360 nan 0.000 0.322 120 P HA 0.614 nan 4.420 nan 0.000 0.289 120 P C -0.961 176.180 177.300 -0.264 0.000 1.302 120 P CA -0.601 62.476 63.100 -0.038 0.000 0.923 120 P CB 1.219 32.861 31.700 -0.096 0.000 1.238 121 Y N -1.570 118.353 120.300 -0.629 0.000 2.689 121 Y HA 0.714 5.264 4.550 -0.000 0.000 0.333 121 Y C -1.686 173.829 175.900 -0.642 0.000 1.208 121 Y CA -1.542 55.949 58.100 -1.015 0.000 1.055 121 Y CB 0.605 38.787 38.460 -0.462 0.000 1.304 121 Y HN 0.331 nan 8.280 nan 0.000 0.455 122 V N 0.513 120.150 119.914 -0.462 0.000 2.789 122 V HA 0.907 5.027 4.120 -0.000 0.000 0.311 122 V C -1.264 174.573 176.094 -0.427 0.000 1.073 122 V CA -0.051 61.981 62.300 -0.446 0.000 0.921 122 V CB 1.756 33.282 31.823 -0.495 0.000 1.009 122 V HN 1.177 nan 8.190 nan 0.000 0.426 123 S N 3.854 119.440 115.700 -0.190 0.000 2.579 123 S HA 0.821 5.291 4.470 -0.000 0.000 0.272 123 S C -0.935 173.712 174.600 0.079 0.000 1.141 123 S CA -0.381 57.820 58.200 0.001 0.000 0.843 123 S CB 1.573 64.771 63.200 -0.004 0.000 1.122 123 S HN 1.169 nan 8.310 nan 0.000 0.468 124 c N 1.825 120.534 118.600 0.182 0.000 2.667 124 c HA 0.830 5.400 4.570 -0.000 0.000 0.323 124 c C -0.722 173.386 174.090 0.029 0.000 1.214 124 c CA -0.714 55.703 56.329 0.146 0.000 1.721 124 c CB 0.992 43.662 42.510 0.266 0.000 2.275 124 c HN 0.964 nan 8.230 nan 0.000 0.491 125 D N 0.138 120.402 120.400 -0.227 0.000 2.477 125 D HA 0.420 5.060 4.640 -0.000 0.000 0.234 125 D C -2.278 173.482 176.300 -0.901 0.000 1.048 125 D CA -1.126 52.441 54.000 -0.721 0.000 0.959 125 D CB 0.947 41.430 40.800 -0.529 0.000 1.408 125 D HN 0.152 nan 8.370 nan 0.000 0.496 126 P HA -0.023 nan 4.420 nan 0.000 0.242 126 P C -0.283 176.788 177.300 -0.382 0.000 1.198 126 P CA 0.937 63.420 63.100 -1.028 0.000 0.756 126 P CB 0.099 31.166 31.700 -1.056 0.000 0.911 127 D N -3.350 116.875 120.400 -0.292 0.000 2.583 127 D HA 0.095 4.734 4.640 -0.000 0.000 0.282 127 D C -0.093 176.141 176.300 -0.110 0.000 1.485 127 D CA 0.037 53.949 54.000 -0.146 0.000 0.834 127 D CB 0.488 41.206 40.800 -0.137 0.000 1.258 127 D HN 0.053 nan 8.370 nan 0.000 0.470 128 E N -0.088 120.041 120.200 -0.119 0.000 2.378 128 E HA 0.372 4.721 4.350 -0.000 0.000 0.283 128 E C -1.804 174.765 176.600 -0.052 0.000 0.979 128 E CA -0.549 55.801 56.400 -0.084 0.000 0.795 128 E CB 2.399 32.038 29.700 -0.102 0.000 1.221 128 E HN 0.102 nan 8.360 nan 0.000 0.428 129 c N 2.275 120.856 118.600 -0.031 0.000 2.561 129 c HA 0.704 5.274 4.570 -0.000 0.000 0.319 129 c C -0.155 173.862 174.090 -0.122 0.000 1.198 129 c CA -0.571 55.757 56.329 -0.002 0.000 1.665 129 c CB 1.095 43.688 42.510 0.138 0.000 2.258 129 c HN 0.638 nan 8.230 nan 0.000 0.493 130 R N 0.779 121.195 120.500 -0.139 0.000 2.836 130 R HA 0.636 4.976 4.340 -0.000 0.000 0.269 130 R C -1.572 174.542 176.300 -0.311 0.000 1.010 130 R CA -0.673 55.241 56.100 -0.311 0.000 0.930 130 R CB 1.430 31.521 30.300 -0.350 0.000 1.218 130 R HN 0.434 nan 8.270 nan 0.000 0.473 131 F N 0.925 120.345 119.950 -0.883 0.000 2.397 131 F HA 0.461 4.988 4.527 -0.000 0.000 0.331 131 F C -0.154 174.800 175.800 -1.410 0.000 1.090 131 F CA -0.889 56.388 58.000 -1.204 0.000 1.065 131 F CB 0.726 38.665 39.000 -1.769 0.000 1.184 131 F HN 0.300 nan 8.300 nan 0.000 0.499 132 Y N 0.106 119.807 120.300 -1.000 0.000 2.576 132 Y HA 0.744 5.294 4.550 -0.000 0.000 0.346 132 Y C -0.272 175.318 175.900 -0.517 0.000 1.018 132 Y CA -1.157 56.462 58.100 -0.802 0.000 1.050 132 Y CB 2.170 39.865 38.460 -1.275 0.000 1.280 132 Y HN 0.686 nan 8.280 nan 0.000 0.474 133 A N 1.407 124.228 122.820 0.001 0.000 2.583 133 A HA 0.606 4.926 4.320 -0.000 0.000 0.292 133 A C -2.523 175.151 177.584 0.150 0.000 1.045 133 A CA -0.738 51.381 52.037 0.137 0.000 0.672 133 A CB 0.990 20.159 19.000 0.281 0.000 1.283 133 A HN 0.462 nan 8.150 nan 0.000 0.419 134 L N 2.572 123.883 121.223 0.147 0.000 2.281 134 L HA 0.477 4.817 4.340 -0.000 0.000 0.285 134 L C 1.179 178.102 176.870 0.088 0.000 1.074 134 L CA 0.349 55.263 54.840 0.124 0.000 0.817 134 L CB 0.432 42.579 42.059 0.146 0.000 1.168 134 L HN 0.958 nan 8.230 nan 0.000 0.434 135 S N 3.639 119.374 115.700 0.059 0.000 2.669 135 S HA 0.359 4.829 4.470 -0.000 0.000 0.270 135 S C 0.359 174.986 174.600 0.045 0.000 1.225 135 S CA -0.631 57.582 58.200 0.022 0.000 0.991 135 S CB 1.694 64.882 63.200 -0.020 0.000 0.987 135 S HN 0.587 nan 8.310 nan 0.000 0.552 136 Q N 0.165 119.983 119.800 0.030 0.000 2.186 136 Q HA 0.234 4.574 4.340 -0.000 0.000 0.241 136 Q C 0.831 176.862 176.000 0.051 0.000 0.849 136 Q CA 0.310 56.151 55.803 0.063 0.000 1.053 136 Q CB 0.508 29.280 28.738 0.057 0.000 1.146 136 Q HN 1.252 nan 8.270 nan 0.000 0.475 137 G N 2.017 110.827 108.800 0.017 0.000 2.395 137 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.300 137 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.300 137 G C 0.100 174.948 174.900 -0.086 0.000 0.998 137 G CA 1.365 46.450 45.100 -0.025 0.000 1.046 137 G HN 0.399 nan 8.290 nan 0.000 0.513 138 T N -1.786 112.714 114.554 -0.089 0.000 2.722 138 T HA 0.678 5.028 4.350 -0.000 0.000 0.314 138 T C 0.265 174.894 174.700 -0.119 0.000 1.675 138 T CA 0.807 62.850 62.100 -0.095 0.000 1.003 138 T CB 0.893 69.740 68.868 -0.035 0.000 1.602 138 T HN 1.287 nan 8.240 nan 0.000 0.496 139 T N 0.701 115.180 114.554 -0.125 0.000 2.881 139 T HA 0.568 4.918 4.350 -0.000 0.000 0.278 139 T C 1.930 176.506 174.700 -0.207 0.000 0.982 139 T CA -0.776 61.224 62.100 -0.166 0.000 0.989 139 T CB 0.487 69.270 68.868 -0.142 0.000 1.058 139 T HN 0.551 nan 8.240 nan 0.000 0.529 140 I N -0.533 119.859 120.570 -0.297 0.000 2.233 140 I HA -0.010 4.160 4.170 -0.000 0.000 0.243 140 I C 2.658 178.545 176.117 -0.383 0.000 1.093 140 I CA 0.951 61.955 61.300 -0.493 0.000 1.380 140 I CB -0.469 37.109 38.000 -0.704 0.000 1.067 140 I HN 0.481 nan 8.210 nan 0.000 0.413 141 R N 1.653 122.011 120.500 -0.236 0.000 2.323 141 R HA 0.123 4.463 4.340 -0.000 0.000 0.198 141 R C 0.599 176.852 176.300 -0.078 0.000 0.988 141 R CA -0.012 56.013 56.100 -0.126 0.000 1.041 141 R CB -0.610 29.639 30.300 -0.085 0.000 0.926 141 R HN 0.361 nan 8.270 nan 0.000 0.476 142 G N -0.506 108.241 108.800 -0.089 0.000 2.448 142 G HA2 0.117 4.076 3.960 -0.000 0.000 0.285 142 G HA3 0.117 4.076 3.960 -0.000 0.000 0.285 142 G C -0.004 174.871 174.900 -0.042 0.000 1.176 142 G CA -0.596 44.476 45.100 -0.047 0.000 0.852 142 G HN 0.182 nan 8.290 nan 0.000 0.530 143 K N 0.030 120.385 120.400 -0.075 0.000 2.209 143 K HA -0.086 4.233 4.320 -0.000 0.000 0.204 143 K C 1.365 177.856 176.600 -0.182 0.000 1.048 143 K CA 0.791 56.990 56.287 -0.146 0.000 0.940 143 K CB 0.002 32.360 32.500 -0.236 0.000 0.729 143 K HN 0.555 nan 8.250 nan 0.000 0.451 144 H N 0.273 119.312 119.070 -0.052 0.000 2.556 144 H HA 0.026 4.582 4.556 -0.000 0.000 0.268 144 H C 1.973 177.290 175.328 -0.019 0.000 0.996 144 H CA 0.902 56.920 56.048 -0.050 0.000 1.157 144 H CB 0.188 29.897 29.762 -0.088 0.000 1.355 144 H HN 0.258 nan 8.280 nan 0.000 0.597 145 S N 0.033 115.775 115.700 0.069 0.000 2.436 145 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 145 S C 1.059 175.756 174.600 0.162 0.000 1.014 145 S CA -0.160 58.089 58.200 0.082 0.000 0.950 145 S CB -0.439 62.767 63.200 0.009 0.000 0.784 145 S HN 0.373 nan 8.310 nan 0.000 0.504 146 N N 1.379 120.161 118.700 0.137 0.000 2.411 146 N HA 0.330 5.070 4.740 -0.000 0.000 0.282 146 N C 0.710 176.291 175.510 0.119 0.000 1.322 146 N CA 0.594 53.741 53.050 0.161 0.000 0.943 146 N CB -0.387 38.102 38.487 0.004 0.000 1.266 146 N HN 0.552 nan 8.380 nan 0.000 0.486 147 G N 1.919 110.803 108.800 0.140 0.000 2.164 147 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.154 147 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.154 147 G C 0.637 175.499 174.900 -0.063 0.000 1.014 147 G CA 0.134 45.224 45.100 -0.017 0.000 0.683 147 G HN 0.653 nan 8.290 nan 0.000 0.500 148 T N -1.099 113.484 114.554 0.048 0.000 3.194 148 T HA 0.305 4.655 4.350 -0.000 0.000 0.251 148 T C 2.119 176.846 174.700 0.046 0.000 1.132 148 T CA 0.783 62.922 62.100 0.066 0.000 1.028 148 T CB 0.143 69.077 68.868 0.110 0.000 0.976 148 T HN 0.559 nan 8.240 nan 0.000 0.535 149 I N 0.635 121.191 120.570 -0.022 0.000 2.614 149 I HA -0.039 4.131 4.170 -0.000 0.000 0.258 149 I C 0.119 176.329 176.117 0.154 0.000 1.189 149 I CA 0.580 61.890 61.300 0.017 0.000 1.462 149 I CB -0.065 37.916 38.000 -0.032 0.000 1.092 149 I HN 0.236 nan 8.210 nan 0.000 0.442 150 H N 2.150 121.234 119.070 0.024 0.000 2.722 150 H HA 0.154 4.710 4.556 -0.000 0.000 0.328 150 H C 0.040 175.361 175.328 -0.011 0.000 1.067 150 H CA -0.858 55.189 56.048 -0.002 0.000 1.447 150 H CB 0.422 30.191 29.762 0.011 0.000 1.469 150 H HN 0.318 nan 8.280 nan 0.000 0.544 151 D N 2.188 122.624 120.400 0.060 0.000 2.670 151 D HA 0.101 4.741 4.640 -0.000 0.000 0.255 151 D C 0.087 176.354 176.300 -0.054 0.000 1.286 151 D CA -0.358 53.653 54.000 0.018 0.000 0.830 151 D CB 1.041 41.848 40.800 0.012 0.000 1.065 151 D HN 0.336 nan 8.370 nan 0.000 0.486 152 R N 1.020 121.446 120.500 -0.123 0.000 2.658 152 R HA 0.317 4.657 4.340 -0.000 0.000 0.287 152 R C -1.778 174.408 176.300 -0.190 0.000 1.209 152 R CA -0.102 55.799 56.100 -0.332 0.000 1.046 152 R CB 1.211 31.062 30.300 -0.748 0.000 1.247 152 R HN 0.161 nan 8.270 nan 0.000 0.405 153 S N 2.095 117.770 115.700 -0.041 0.000 2.661 153 S HA 0.163 4.633 4.470 -0.000 0.000 0.268 153 S C 0.361 174.880 174.600 -0.136 0.000 1.162 153 S CA -1.055 57.079 58.200 -0.110 0.000 0.817 153 S CB 1.469 64.594 63.200 -0.125 0.000 1.141 153 S HN 0.512 nan 8.310 nan 0.000 0.477 154 Q N -0.146 119.381 119.800 -0.454 0.000 2.291 154 Q HA -0.083 4.257 4.340 -0.000 0.000 0.206 154 Q C 0.509 176.349 176.000 -0.266 0.000 0.976 154 Q CA 1.622 57.170 55.803 -0.424 0.000 0.875 154 Q CB -0.635 27.749 28.738 -0.591 0.000 0.927 154 Q HN 0.839 nan 8.270 nan 0.000 0.450 155 Y N 0.470 120.804 120.300 0.057 0.000 2.457 155 Y HA 0.259 4.809 4.550 -0.000 0.000 0.263 155 Y C 0.659 176.575 175.900 0.026 0.000 1.164 155 Y CA -0.544 57.570 58.100 0.023 0.000 1.274 155 Y CB 0.126 38.586 38.460 0.000 0.000 1.097 155 Y HN -0.072 nan 8.280 nan 0.000 0.523 156 R N 1.668 122.253 120.500 0.141 0.000 2.410 156 R HA 0.274 4.614 4.340 -0.000 0.000 0.288 156 R C -0.917 175.428 176.300 0.075 0.000 1.051 156 R CA -0.194 55.978 56.100 0.119 0.000 1.021 156 R CB 0.702 31.095 30.300 0.156 0.000 1.032 156 R HN 0.090 nan 8.270 nan 0.000 0.481 157 D N 2.086 122.515 120.400 0.047 0.000 2.819 157 D HA 0.126 4.766 4.640 -0.000 0.000 0.232 157 D C -0.880 175.425 176.300 0.008 0.000 1.160 157 D CA -0.806 53.196 54.000 0.004 0.000 0.858 157 D CB 2.312 43.102 40.800 -0.017 0.000 1.610 157 D HN 0.120 nan 8.370 nan 0.000 0.481 158 L N 2.425 123.641 121.223 -0.012 0.000 2.361 158 L HA 0.333 4.673 4.340 -0.000 0.000 0.278 158 L C -0.348 176.529 176.870 0.011 0.000 1.113 158 L CA -0.026 54.833 54.840 0.033 0.000 0.849 158 L CB -0.162 41.923 42.059 0.043 0.000 1.155 158 L HN 0.343 nan 8.230 nan 0.000 0.452 159 I N 2.087 122.672 120.570 0.027 0.000 2.493 159 I HA 0.759 4.929 4.170 -0.000 0.000 0.298 159 I C -0.221 175.808 176.117 -0.147 0.000 0.998 159 I CA -0.573 60.715 61.300 -0.021 0.000 1.137 159 I CB 2.013 40.027 38.000 0.024 0.000 1.310 159 I HN 0.644 nan 8.210 nan 0.000 0.445 160 S N 3.706 119.208 115.700 -0.330 0.000 2.578 160 S HA 0.839 5.308 4.470 -0.000 0.000 0.301 160 S C -1.157 173.299 174.600 -0.240 0.000 1.091 160 S CA -0.598 57.150 58.200 -0.754 0.000 1.032 160 S CB 1.279 63.843 63.200 -1.061 0.000 1.064 160 S HN 0.954 nan 8.310 nan 0.000 0.508 161 W N -0.299 120.772 121.300 -0.383 0.000 3.213 161 W HA 0.677 5.337 4.660 -0.000 0.000 0.318 161 W C -3.436 172.947 176.519 -0.227 0.000 1.248 161 W CA -2.353 54.852 57.345 -0.234 0.000 1.187 161 W CB -0.078 29.288 29.460 -0.156 0.000 1.403 161 W HN 0.470 nan 8.180 nan 0.000 0.556 162 P HA -0.028 nan 4.420 nan 0.000 0.267 162 P C -0.267 176.852 177.300 -0.302 0.000 1.200 162 P CA 0.022 63.039 63.100 -0.138 0.000 0.772 162 P CB 0.873 32.536 31.700 -0.062 0.000 0.855 163 L N 3.268 124.226 121.223 -0.442 0.000 2.615 163 L HA -0.023 4.316 4.340 -0.000 0.000 0.271 163 L C 0.718 177.222 176.870 -0.610 0.000 1.183 163 L CA 1.204 55.597 54.840 -0.744 0.000 0.933 163 L CB -1.134 40.595 42.059 -0.551 0.000 1.199 163 L HN 0.558 nan 8.230 nan 0.000 0.487 164 S N 1.660 116.779 115.700 -0.968 0.000 3.482 164 S HA -0.174 4.296 4.470 -0.000 0.000 0.294 164 S C 0.670 175.270 174.600 0.000 0.000 1.244 164 S CA 1.026 58.987 58.200 -0.397 0.000 0.911 164 S CB -1.460 61.592 63.200 -0.247 0.000 1.070 164 S HN 0.802 nan 8.310 nan 0.000 0.614 165 S N 1.982 117.754 115.700 0.120 0.000 2.669 165 S HA 0.538 5.008 4.470 -0.000 0.000 0.270 165 S C -2.213 172.499 174.600 0.187 0.000 1.225 165 S CA -1.029 57.276 58.200 0.175 0.000 0.991 165 S CB 0.668 63.979 63.200 0.186 0.000 0.987 165 S HN 0.138 nan 8.310 nan 0.000 0.552 166 P HA 0.223 nan 4.420 nan 0.000 0.275 166 P C -2.547 174.263 177.300 -0.817 0.000 1.228 166 P CA -1.639 61.258 63.100 -0.338 0.000 0.786 166 P CB -0.149 31.430 31.700 -0.203 0.000 0.927 167 P HA -0.041 nan 4.420 nan 0.000 0.258 167 P C 0.125 177.104 177.300 -0.535 0.000 1.563 167 P CA 0.476 62.888 63.100 -1.147 0.000 1.241 167 P CB -0.472 30.450 31.700 -1.296 0.000 1.811 168 T N 0.231 114.572 114.554 -0.353 0.000 3.564 168 T HA 0.116 4.466 4.350 -0.000 0.000 0.266 168 T C 0.308 174.867 174.700 -0.235 0.000 1.106 168 T CA -0.455 61.510 62.100 -0.224 0.000 1.134 168 T CB -0.966 67.845 68.868 -0.095 0.000 2.476 168 T HN 0.175 nan 8.240 nan 0.000 0.471 169 Y N 2.715 122.965 120.300 -0.083 0.000 2.974 169 Y HA -0.095 4.455 4.550 -0.000 0.000 0.269 169 Y C 1.232 177.091 175.900 -0.068 0.000 1.102 169 Y CA 0.625 58.685 58.100 -0.067 0.000 0.929 169 Y CB -1.729 36.696 38.460 -0.059 0.000 1.172 169 Y HN 0.618 nan 8.280 nan 0.000 0.356 170 N N -1.982 116.721 118.700 0.005 0.000 2.512 170 N HA -0.109 4.631 4.740 -0.000 0.000 0.295 170 N C -0.311 175.191 175.510 -0.014 0.000 0.782 170 N CA 0.750 53.799 53.050 -0.000 0.000 1.097 170 N CB -0.308 38.171 38.487 -0.013 0.000 2.295 170 N HN 0.184 nan 8.380 nan 0.000 1.297 171 S N 1.764 117.438 115.700 -0.043 0.000 2.552 171 S HA 0.132 4.602 4.470 -0.000 0.000 0.289 171 S C 0.357 174.929 174.600 -0.046 0.000 1.304 171 S CA 0.036 58.225 58.200 -0.020 0.000 1.063 171 S CB 0.839 63.998 63.200 -0.069 0.000 0.848 171 S HN 0.220 nan 8.310 nan 0.000 0.499 172 R N 2.514 122.980 120.500 -0.057 0.000 2.265 172 R HA 0.393 4.733 4.340 -0.000 0.000 0.319 172 R C -1.008 175.239 176.300 -0.087 0.000 1.006 172 R CA -0.478 55.577 56.100 -0.075 0.000 0.880 172 R CB 0.596 30.843 30.300 -0.088 0.000 1.077 172 R HN 0.458 nan 8.270 nan 0.000 0.454 173 V N 4.629 124.491 119.914 -0.088 0.000 2.686 173 V HA 0.039 4.159 4.120 -0.000 0.000 0.295 173 V C 1.013 177.023 176.094 -0.140 0.000 1.055 173 V CA 0.079 62.318 62.300 -0.101 0.000 1.050 173 V CB 1.577 33.342 31.823 -0.097 0.000 0.984 173 V HN 0.879 nan 8.190 nan 0.000 0.482 174 E N 1.843 121.947 120.200 -0.161 0.000 2.201 174 E HA 0.139 4.488 4.350 -0.000 0.000 0.193 174 E C 0.371 176.676 176.600 -0.491 0.000 0.957 174 E CA 0.957 57.222 56.400 -0.225 0.000 0.858 174 E CB 0.864 30.507 29.700 -0.095 0.000 0.816 174 E HN 0.919 nan 8.360 nan 0.000 0.475 175 c N -1.035 117.308 118.600 -0.429 0.000 3.216 175 c HA 0.541 5.111 4.570 -0.000 0.000 0.346 175 c C -1.516 172.417 174.090 -0.261 0.000 1.384 175 c CA -1.272 54.718 56.329 -0.565 0.000 1.208 175 c CB 0.502 42.636 42.510 -0.628 0.000 1.483 175 c HN 0.004 nan 8.230 nan 0.000 0.453 176 I N 2.412 122.873 120.570 -0.180 0.000 2.354 176 I HA 0.860 5.030 4.170 -0.000 0.000 0.292 176 I C 0.762 176.818 176.117 -0.102 0.000 0.989 176 I CA 0.641 61.888 61.300 -0.087 0.000 1.188 176 I CB 0.526 38.506 38.000 -0.034 0.000 1.342 176 I HN 1.511 nan 8.210 nan 0.000 0.457 177 G N 5.941 114.682 108.800 -0.098 0.000 2.316 177 G HA2 0.203 4.163 3.960 -0.000 0.000 0.296 177 G HA3 0.203 4.163 3.960 -0.000 0.000 0.296 177 G C -1.056 173.793 174.900 -0.085 0.000 1.399 177 G CA -0.719 44.252 45.100 -0.216 0.000 0.833 177 G HN 0.632 nan 8.290 nan 0.000 0.565 178 W N 0.151 121.458 121.300 0.010 0.000 2.966 178 W HA 0.645 5.304 4.660 -0.000 0.000 0.406 178 W C -0.063 176.477 176.519 0.035 0.000 1.027 178 W CA -0.098 57.260 57.345 0.021 0.000 1.930 178 W CB 0.265 29.730 29.460 0.008 0.000 1.144 178 W HN 0.787 nan 8.180 nan 0.000 0.626 179 S N 1.330 117.113 115.700 0.138 0.000 2.543 179 S HA 0.588 5.058 4.470 -0.000 0.000 0.274 179 S C -0.583 174.012 174.600 -0.007 0.000 1.149 179 S CA 0.050 58.328 58.200 0.131 0.000 0.866 179 S CB 1.379 64.685 63.200 0.177 0.000 1.111 179 S HN 0.264 nan 8.310 nan 0.000 0.457 180 S N 1.628 117.326 115.700 -0.003 0.000 2.703 180 S HA 0.897 5.367 4.470 -0.000 0.000 0.273 180 S C -0.756 173.768 174.600 -0.127 0.000 1.178 180 S CA -0.377 57.802 58.200 -0.035 0.000 0.838 180 S CB 1.395 64.641 63.200 0.076 0.000 1.178 180 S HN 1.276 nan 8.310 nan 0.000 0.494 181 T N -0.228 114.256 114.554 -0.117 0.000 3.033 181 T HA 0.603 4.953 4.350 -0.000 0.000 0.362 181 T C -1.998 172.653 174.700 -0.082 0.000 1.723 181 T CA 0.049 62.023 62.100 -0.210 0.000 1.110 181 T CB 1.152 69.883 68.868 -0.229 0.000 1.515 181 T HN 1.403 nan 8.240 nan 0.000 0.484 182 S N 1.507 117.169 115.700 -0.063 0.000 2.536 182 S HA 0.837 5.307 4.470 -0.000 0.000 0.271 182 S C -1.087 173.512 174.600 -0.002 0.000 1.134 182 S CA -0.324 57.852 58.200 -0.040 0.000 0.897 182 S CB 0.554 63.664 63.200 -0.149 0.000 1.094 182 S HN 1.427 nan 8.310 nan 0.000 0.473 183 c N 3.043 121.682 118.600 0.065 0.000 2.985 183 c HA 0.636 5.205 4.570 -0.000 0.000 0.332 183 c C -0.727 173.487 174.090 0.207 0.000 1.164 183 c CA -0.964 55.456 56.329 0.150 0.000 1.347 183 c CB 0.694 43.301 42.510 0.161 0.000 1.764 183 c HN 1.002 nan 8.230 nan 0.000 0.489 184 H N 1.754 120.942 119.070 0.198 0.000 2.580 184 H HA 0.231 4.787 4.556 -0.000 0.000 0.322 184 H C 0.373 175.906 175.328 0.342 0.000 1.082 184 H CA 1.158 57.321 56.048 0.191 0.000 1.383 184 H CB 1.623 31.402 29.762 0.027 0.000 1.450 184 H HN 0.958 nan 8.280 nan 0.000 0.505 185 D N 2.281 122.826 120.400 0.241 0.000 2.305 185 D HA 0.103 4.743 4.640 -0.000 0.000 0.206 185 D C 1.455 178.109 176.300 0.591 0.000 0.974 185 D CA 0.830 55.087 54.000 0.428 0.000 0.871 185 D CB 0.626 41.679 40.800 0.422 0.000 0.947 185 D HN 0.749 nan 8.370 nan 0.000 0.516 186 G N -0.512 108.675 108.800 0.644 0.000 3.345 186 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.199 186 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.199 186 G C 1.364 176.460 174.900 0.326 0.000 1.057 186 G CA -0.049 45.423 45.100 0.621 0.000 0.865 186 G HN 0.120 nan 8.290 nan 0.000 0.449 187 R N 0.605 121.171 120.500 0.110 0.000 2.051 187 R HA 0.661 5.001 4.340 -0.000 0.000 0.218 187 R C 1.251 177.529 176.300 -0.038 0.000 1.188 187 R CA 1.353 57.425 56.100 -0.047 0.000 0.992 187 R CB 0.046 30.173 30.300 -0.287 0.000 0.883 187 R HN 0.604 nan 8.270 nan 0.000 0.444 188 A N 0.565 123.251 122.820 -0.223 0.000 2.507 188 A HA 0.609 4.929 4.320 -0.000 0.000 0.284 188 A C -1.151 175.976 177.584 -0.763 0.000 1.281 188 A CA -0.664 51.075 52.037 -0.497 0.000 0.744 188 A CB 1.313 19.968 19.000 -0.575 0.000 1.332 188 A HN 0.232 nan 8.150 nan 0.000 0.454 189 R N -0.099 120.078 120.500 -0.538 0.000 2.664 189 R HA 0.757 5.097 4.340 -0.000 0.000 0.286 189 R C -0.829 175.496 176.300 0.042 0.000 0.967 189 R CA -0.435 55.537 56.100 -0.214 0.000 0.933 189 R CB 1.343 31.619 30.300 -0.041 0.000 1.146 189 R HN 0.828 nan 8.270 nan 0.000 0.468 190 M N 2.697 122.415 119.600 0.198 0.000 2.364 190 M HA 0.407 4.887 4.480 -0.000 0.000 0.334 190 M C -1.477 174.887 176.300 0.107 0.000 1.107 190 M CA -0.301 55.144 55.300 0.241 0.000 0.988 190 M CB 2.122 34.852 32.600 0.216 0.000 1.673 190 M HN 0.741 nan 8.290 nan 0.000 0.441 191 S N 4.743 120.499 115.700 0.094 0.000 2.571 191 S HA 0.687 5.157 4.470 -0.000 0.000 0.284 191 S C -1.146 173.467 174.600 0.022 0.000 1.128 191 S CA -0.635 57.584 58.200 0.032 0.000 0.970 191 S CB 1.636 64.847 63.200 0.017 0.000 1.039 191 S HN 0.623 nan 8.310 nan 0.000 0.485 192 I N 1.998 122.550 120.570 -0.030 0.000 2.474 192 I HA 0.603 4.773 4.170 -0.000 0.000 0.294 192 I C -0.744 175.344 176.117 -0.048 0.000 1.005 192 I CA -0.187 61.095 61.300 -0.031 0.000 1.113 192 I CB 1.562 39.511 38.000 -0.085 0.000 1.289 192 I HN 0.691 nan 8.210 nan 0.000 0.436 193 c N 6.014 124.588 118.600 -0.044 0.000 2.782 193 c HA 0.660 5.230 4.570 -0.000 0.000 0.328 193 c C -0.297 173.686 174.090 -0.177 0.000 1.145 193 c CA -1.014 55.248 56.329 -0.112 0.000 1.358 193 c CB 0.653 43.091 42.510 -0.121 0.000 1.841 193 c HN 0.551 nan 8.230 nan 0.000 0.477 194 I N 1.903 122.269 120.570 -0.341 0.000 2.412 194 I HA 0.617 4.786 4.170 -0.000 0.000 0.296 194 I C 0.442 175.947 176.117 -1.020 0.000 0.987 194 I CA 0.587 61.550 61.300 -0.561 0.000 1.180 194 I CB 1.724 39.377 38.000 -0.580 0.000 1.340 194 I HN 0.749 nan 8.210 nan 0.000 0.455 195 S N 2.467 117.690 115.700 -0.796 0.000 2.810 195 S HA 0.982 5.451 4.470 -0.000 0.000 0.315 195 S C -0.529 173.910 174.600 -0.268 0.000 1.138 195 S CA -0.082 57.700 58.200 -0.698 0.000 0.889 195 S CB 1.910 64.948 63.200 -0.270 0.000 1.236 195 S HN 1.082 nan 8.310 nan 0.000 0.548 196 G N 1.549 110.443 108.800 0.157 0.000 2.428 196 G HA2 0.118 4.078 3.960 -0.000 0.000 0.681 196 G HA3 0.118 4.078 3.960 -0.000 0.000 0.681 196 G C -3.430 171.660 174.900 0.316 0.000 1.340 196 G CA -0.861 44.371 45.100 0.221 0.000 0.915 196 G HN 0.543 nan 8.290 nan 0.000 0.645 197 P HA 0.130 nan 4.420 nan 0.000 0.271 197 P C 0.738 178.086 177.300 0.080 0.000 1.233 197 P CA -0.253 62.892 63.100 0.075 0.000 0.789 197 P CB 0.690 32.408 31.700 0.030 0.000 0.951 198 N N 0.772 119.474 118.700 0.003 0.000 2.381 198 N HA -0.143 4.597 4.740 -0.000 0.000 0.182 198 N C 0.769 176.269 175.510 -0.016 0.000 1.025 198 N CA 0.801 53.837 53.050 -0.023 0.000 0.888 198 N CB -0.228 38.209 38.487 -0.084 0.000 0.965 198 N HN 0.551 nan 8.380 nan 0.000 0.438 199 N N -0.676 118.014 118.700 -0.016 0.000 2.214 199 N HA 0.050 4.790 4.740 -0.000 0.000 0.214 199 N C -0.399 175.098 175.510 -0.022 0.000 1.132 199 N CA 0.083 53.118 53.050 -0.026 0.000 0.856 199 N CB 0.337 38.809 38.487 -0.025 0.000 1.020 199 N HN -0.086 nan 8.380 nan 0.000 0.509 200 N N -0.124 118.573 118.700 -0.005 0.000 2.550 200 N HA 0.261 5.001 4.740 -0.000 0.000 0.277 200 N C -1.418 174.093 175.510 0.001 0.000 1.595 200 N CA -0.206 52.838 53.050 -0.010 0.000 0.888 200 N CB 0.832 39.317 38.487 -0.003 0.000 1.424 200 N HN 0.359 nan 8.380 nan 0.000 0.501 201 A N 0.199 123.022 122.820 0.005 0.000 2.440 201 A HA 0.671 4.990 4.320 -0.000 0.000 0.251 201 A C 0.045 177.574 177.584 -0.091 0.000 1.089 201 A CA 0.224 52.267 52.037 0.009 0.000 0.779 201 A CB 0.323 19.382 19.000 0.097 0.000 1.022 201 A HN 0.187 nan 8.150 nan 0.000 0.492 202 S N 0.457 116.085 115.700 -0.120 0.000 2.521 202 S HA 0.723 5.193 4.470 -0.000 0.000 0.295 202 S C -0.338 174.180 174.600 -0.136 0.000 1.098 202 S CA -0.182 57.948 58.200 -0.117 0.000 0.999 202 S CB 1.866 65.022 63.200 -0.073 0.000 1.034 202 S HN 1.348 nan 8.310 nan 0.000 0.483 203 A N 1.806 124.570 122.820 -0.093 0.000 2.318 203 A HA 0.819 5.139 4.320 -0.000 0.000 0.324 203 A C -0.760 176.822 177.584 -0.004 0.000 1.170 203 A CA -0.859 51.157 52.037 -0.034 0.000 0.810 203 A CB 1.072 20.107 19.000 0.059 0.000 1.198 203 A HN 0.878 nan 8.150 nan 0.000 0.484 204 V N 4.467 124.406 119.914 0.040 0.000 2.483 204 V HA 0.584 4.704 4.120 -0.000 0.000 0.297 204 V C -1.351 174.835 176.094 0.153 0.000 1.027 204 V CA -0.637 61.705 62.300 0.070 0.000 0.855 204 V CB 1.196 33.079 31.823 0.101 0.000 0.995 204 V HN 0.680 nan 8.190 nan 0.000 0.424 205 I N 7.904 128.493 120.570 0.033 0.000 2.301 205 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 205 I C -0.521 175.644 176.117 0.079 0.000 1.046 205 I CA 0.208 61.495 61.300 -0.021 0.000 1.282 205 I CB 0.653 38.472 38.000 -0.302 0.000 1.409 205 I HN 0.554 nan 8.210 nan 0.000 0.484 206 W N 6.984 128.258 121.300 -0.044 0.000 2.417 206 W HA 0.404 5.064 4.660 -0.000 0.000 0.317 206 W C -0.545 176.025 176.519 0.084 0.000 1.121 206 W CA -0.578 56.775 57.345 0.013 0.000 1.208 206 W CB 0.655 30.117 29.460 0.003 0.000 1.253 206 W HN 0.300 nan 8.180 nan 0.000 0.533 207 Y N 4.052 124.424 120.300 0.120 0.000 2.326 207 Y HA 0.280 4.830 4.550 -0.000 0.000 0.329 207 Y C 0.142 176.095 175.900 0.087 0.000 0.973 207 Y CA -1.955 56.191 58.100 0.076 0.000 1.162 207 Y CB 0.709 39.188 38.460 0.032 0.000 1.147 207 Y HN 0.641 nan 8.280 nan 0.000 0.456 208 N N 4.970 123.560 118.700 -0.185 0.000 2.621 208 N HA -0.233 4.507 4.740 -0.000 0.000 0.269 208 N C 0.203 175.694 175.510 -0.031 0.000 1.154 208 N CA 1.286 54.175 53.050 -0.268 0.000 0.696 208 N CB -0.356 37.719 38.487 -0.687 0.000 0.878 208 N HN 0.959 nan 8.380 nan 0.000 0.550 209 R N -2.505 118.061 120.500 0.110 0.000 3.997 209 R HA -0.298 4.042 4.340 -0.000 0.000 0.431 209 R C -0.215 176.287 176.300 0.338 0.000 1.066 209 R CA 2.182 58.412 56.100 0.216 0.000 1.382 209 R CB -1.194 29.163 30.300 0.095 0.000 1.978 209 R HN 0.835 nan 8.270 nan 0.000 0.550 210 R N 0.798 121.409 120.500 0.185 0.000 2.803 210 R HA 0.556 4.896 4.340 -0.000 0.000 0.276 210 R C -2.849 173.174 176.300 -0.461 0.000 0.978 210 R CA -2.106 53.932 56.100 -0.105 0.000 0.939 210 R CB 1.814 32.061 30.300 -0.088 0.000 1.179 210 R HN -0.210 nan 8.270 nan 0.000 0.472 211 P HA 0.070 nan 4.420 nan 0.000 0.279 211 P C -0.006 177.032 177.300 -0.437 0.000 1.239 211 P CA -0.391 62.051 63.100 -1.096 0.000 0.789 211 P CB 1.642 32.585 31.700 -1.262 0.000 0.933 212 V N 1.576 121.340 119.914 -0.250 0.000 2.996 212 V HA 0.144 4.264 4.120 -0.000 0.000 0.235 212 V C 0.789 176.839 176.094 -0.074 0.000 1.205 212 V CA 1.247 63.484 62.300 -0.105 0.000 1.225 212 V CB 0.226 32.039 31.823 -0.017 0.000 0.995 212 V HN 0.626 nan 8.190 nan 0.000 0.484 213 T N 0.031 114.545 114.554 -0.066 0.000 2.883 213 T HA 0.744 5.094 4.350 -0.000 0.000 0.301 213 T C -1.431 173.256 174.700 -0.022 0.000 1.158 213 T CA -0.622 61.469 62.100 -0.014 0.000 1.007 213 T CB 2.788 71.695 68.868 0.065 0.000 1.186 213 T HN 0.127 nan 8.240 nan 0.000 0.499 214 E N 0.470 120.668 120.200 -0.003 0.000 2.288 214 E HA 0.745 5.095 4.350 -0.000 0.000 0.268 214 E C -1.047 175.551 176.600 -0.004 0.000 0.885 214 E CA -0.624 55.769 56.400 -0.012 0.000 0.767 214 E CB 2.123 31.809 29.700 -0.023 0.000 1.220 214 E HN 0.543 nan 8.360 nan 0.000 0.427 215 I N 1.539 122.086 120.570 -0.038 0.000 2.545 215 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 215 I C -0.585 175.485 176.117 -0.078 0.000 1.040 215 I CA -0.686 60.568 61.300 -0.076 0.000 1.068 215 I CB 1.773 39.648 38.000 -0.208 0.000 1.251 215 I HN 0.383 nan 8.210 nan 0.000 0.424 216 N N 2.587 121.258 118.700 -0.049 0.000 2.319 216 N HA 0.188 4.928 4.740 -0.000 0.000 0.305 216 N C -0.441 175.017 175.510 -0.087 0.000 1.103 216 N CA -0.376 52.634 53.050 -0.067 0.000 0.815 216 N CB 2.048 40.516 38.487 -0.031 0.000 1.288 216 N HN 0.520 nan 8.380 nan 0.000 0.493 217 T N 2.762 117.198 114.554 -0.196 0.000 2.500 217 T HA -0.104 4.246 4.350 -0.000 0.000 0.241 217 T C 1.211 175.787 174.700 -0.207 0.000 1.075 217 T CA 0.554 62.444 62.100 -0.351 0.000 1.323 217 T CB -0.442 68.273 68.868 -0.256 0.000 1.061 217 T HN 0.602 nan 8.240 nan 0.000 0.498 218 W N 4.327 125.550 121.300 -0.128 0.000 2.518 218 W HA 0.377 5.037 4.660 -0.000 0.000 0.273 218 W C 1.338 177.816 176.519 -0.068 0.000 1.247 218 W CA 0.314 57.592 57.345 -0.112 0.000 1.288 218 W CB -0.239 29.113 29.460 -0.182 0.000 1.107 218 W HN 0.681 nan 8.180 nan 0.000 0.586 219 A N 0.697 123.356 122.820 -0.267 0.000 2.631 219 A HA 0.382 4.702 4.320 -0.000 0.000 0.294 219 A C 0.885 178.380 177.584 -0.148 0.000 1.156 219 A CA -0.725 51.252 52.037 -0.101 0.000 0.963 219 A CB -0.550 18.440 19.000 -0.017 0.000 1.202 219 A HN 0.198 nan 8.150 nan 0.000 0.523 220 R N 0.485 120.886 120.500 -0.165 0.000 2.569 220 R HA -0.215 4.125 4.340 -0.000 0.000 0.212 220 R C -0.443 175.803 176.300 -0.091 0.000 0.741 220 R CA 0.956 56.986 56.100 -0.117 0.000 0.499 220 R CB -1.344 28.917 30.300 -0.065 0.000 1.224 220 R HN 0.511 nan 8.270 nan 0.000 0.522 221 N N 0.631 119.263 118.700 -0.112 0.000 2.793 221 N HA 0.128 4.868 4.740 -0.000 0.000 0.251 221 N C -0.760 174.705 175.510 -0.074 0.000 1.308 221 N CA -0.608 52.395 53.050 -0.077 0.000 0.781 221 N CB 0.474 38.923 38.487 -0.062 0.000 1.439 221 N HN 0.275 nan 8.380 nan 0.000 0.562 222 I N 1.307 121.850 120.570 -0.045 0.000 4.719 222 I HA -0.335 3.835 4.170 -0.000 0.000 0.126 222 I C -0.210 175.933 176.117 0.043 0.000 1.154 222 I CA 0.268 61.583 61.300 0.025 0.000 2.669 222 I CB -0.373 37.606 38.000 -0.035 0.000 1.842 222 I HN 0.409 nan 8.210 nan 0.000 0.327 223 L N 9.037 130.286 121.223 0.043 0.000 2.360 223 L HA 0.468 4.807 4.340 -0.000 0.000 0.276 223 L C 0.641 177.598 176.870 0.144 0.000 1.121 223 L CA 0.469 55.264 54.840 -0.075 0.000 0.845 223 L CB 0.423 42.329 42.059 -0.255 0.000 1.143 223 L HN 0.562 nan 8.230 nan 0.000 0.452 224 R N 2.459 123.054 120.500 0.159 0.000 2.837 224 R HA 0.759 5.099 4.340 -0.000 0.000 0.271 224 R C -0.725 175.652 176.300 0.129 0.000 0.993 224 R CA -0.818 55.398 56.100 0.193 0.000 0.931 224 R CB 1.587 32.004 30.300 0.195 0.000 1.206 224 R HN 0.552 nan 8.270 nan 0.000 0.474 225 T N -1.627 112.920 114.554 -0.011 0.000 2.598 225 T HA 0.096 4.446 4.350 -0.000 0.000 0.254 225 T C 0.555 175.175 174.700 -0.133 0.000 0.889 225 T CA -0.290 61.679 62.100 -0.217 0.000 1.091 225 T CB 1.436 69.975 68.868 -0.549 0.000 1.437 225 T HN 0.760 nan 8.240 nan 0.000 0.542 226 Q N 0.050 119.739 119.800 -0.185 0.000 2.212 226 Q HA 0.150 4.490 4.340 -0.000 0.000 0.199 226 Q C -0.121 175.808 176.000 -0.118 0.000 0.950 226 Q CA 1.255 56.980 55.803 -0.130 0.000 0.863 226 Q CB -0.038 28.614 28.738 -0.144 0.000 0.944 226 Q HN 0.782 nan 8.270 nan 0.000 0.465 227 E N 0.039 120.123 120.200 -0.194 0.000 2.833 227 E HA -0.094 4.256 4.350 -0.000 0.000 0.289 227 E C -1.165 175.154 176.600 -0.470 0.000 0.980 227 E CA 0.833 57.097 56.400 -0.227 0.000 0.897 227 E CB -1.493 28.256 29.700 0.082 0.000 1.440 227 E HN 0.426 nan 8.360 nan 0.000 0.410 228 S N -0.995 114.283 115.700 -0.704 0.000 2.656 228 S HA 0.472 4.942 4.470 -0.000 0.000 0.273 228 S C -0.721 173.503 174.600 -0.627 0.000 1.168 228 S CA -1.009 56.837 58.200 -0.591 0.000 0.817 228 S CB 1.372 64.530 63.200 -0.070 0.000 1.146 228 S HN 0.318 nan 8.310 nan 0.000 0.475 229 E N 0.015 120.076 120.200 -0.230 0.000 2.390 229 E HA 0.470 4.820 4.350 -0.000 0.000 0.261 229 E C 0.129 176.708 176.600 -0.035 0.000 1.076 229 E CA -0.829 55.530 56.400 -0.068 0.000 0.905 229 E CB 0.077 29.845 29.700 0.113 0.000 0.984 229 E HN 0.681 nan 8.360 nan 0.000 0.427 230 c N 0.946 119.540 118.600 -0.010 0.000 2.517 230 c HA 0.778 5.348 4.570 -0.000 0.000 0.357 230 c C 0.158 174.292 174.090 0.073 0.000 1.485 230 c CA -0.932 55.408 56.329 0.017 0.000 2.148 230 c CB 0.015 42.539 42.510 0.024 0.000 2.019 230 c HN 0.595 nan 8.230 nan 0.000 0.576 231 V N -0.565 119.393 119.914 0.075 0.000 2.876 231 V HA 0.554 4.674 4.120 -0.000 0.000 0.312 231 V C -0.561 175.594 176.094 0.102 0.000 1.085 231 V CA -0.241 62.110 62.300 0.085 0.000 0.945 231 V CB 1.557 33.408 31.823 0.047 0.000 1.017 231 V HN 1.154 nan 8.190 nan 0.000 0.428 232 c N 3.192 121.863 118.600 0.120 0.000 2.396 232 c HA 0.727 5.297 4.570 -0.000 0.000 0.321 232 c C -0.267 173.892 174.090 0.115 0.000 1.233 232 c CA -0.655 55.760 56.329 0.144 0.000 1.440 232 c CB 1.030 43.671 42.510 0.218 0.000 2.110 232 c HN 0.923 nan 8.230 nan 0.000 0.473 233 Q N 2.549 122.407 119.800 0.096 0.000 2.331 233 Q HA 0.362 4.702 4.340 -0.000 0.000 0.267 233 Q C 0.345 176.382 176.000 0.061 0.000 1.006 233 Q CA 0.190 56.038 55.803 0.074 0.000 0.818 233 Q CB 0.456 29.225 28.738 0.052 0.000 1.276 233 Q HN 0.734 nan 8.270 nan 0.000 0.450 234 N N 3.130 121.880 118.700 0.082 0.000 2.710 234 N HA -0.328 4.412 4.740 -0.000 0.000 0.249 234 N C 0.402 175.767 175.510 -0.242 0.000 1.059 234 N CA 0.727 53.786 53.050 0.016 0.000 0.720 234 N CB -0.946 37.530 38.487 -0.017 0.000 0.983 234 N HN 1.132 nan 8.380 nan 0.000 0.544 235 G N -2.098 106.584 108.800 -0.197 0.000 2.284 235 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.230 235 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.230 235 G C 0.051 174.871 174.900 -0.133 0.000 1.021 235 G CA 0.194 44.999 45.100 -0.492 0.000 0.619 235 G HN 0.401 nan 8.290 nan 0.000 0.510 236 V N 1.546 121.430 119.914 -0.050 0.000 2.406 236 V HA 0.493 4.613 4.120 -0.000 0.000 0.272 236 V C 0.379 176.554 176.094 0.134 0.000 1.043 236 V CA -0.228 62.106 62.300 0.056 0.000 0.915 236 V CB 1.305 33.150 31.823 0.036 0.000 0.988 236 V HN 0.493 nan 8.190 nan 0.000 0.466 237 c N 7.639 126.352 118.600 0.189 0.000 2.291 237 c HA 0.441 5.011 4.570 -0.000 0.000 0.322 237 c C -2.371 171.829 174.090 0.184 0.000 1.205 237 c CA -1.543 54.900 56.329 0.189 0.000 1.495 237 c CB 0.668 43.299 42.510 0.201 0.000 2.127 237 c HN 0.631 nan 8.230 nan 0.000 0.452 238 P HA 0.346 nan 4.420 nan 0.000 0.271 238 P C -0.432 176.852 177.300 -0.026 0.000 1.216 238 P CA 0.208 63.274 63.100 -0.056 0.000 0.771 238 P CB 0.863 32.540 31.700 -0.038 0.000 0.864 239 V N 3.913 123.799 119.914 -0.048 0.000 3.087 239 V HA 0.543 4.663 4.120 -0.000 0.000 0.306 239 V C -1.512 174.568 176.094 -0.023 0.000 1.187 239 V CA -0.834 61.455 62.300 -0.020 0.000 0.999 239 V CB 2.636 34.493 31.823 0.057 0.000 1.049 239 V HN 0.142 nan 8.190 nan 0.000 0.431 240 V N 5.794 125.649 119.914 -0.098 0.000 2.540 240 V HA 0.671 4.790 4.120 -0.000 0.000 0.302 240 V C -0.887 175.182 176.094 -0.042 0.000 1.035 240 V CA -0.397 61.898 62.300 -0.009 0.000 0.873 240 V CB 1.467 33.263 31.823 -0.045 0.000 0.992 240 V HN 0.729 nan 8.190 nan 0.000 0.428 241 F N 1.217 121.248 119.950 0.135 0.000 2.579 241 F HA 0.817 5.344 4.527 -0.000 0.000 0.324 241 F C 0.399 176.337 175.800 0.230 0.000 1.058 241 F CA -0.706 57.409 58.000 0.192 0.000 0.944 241 F CB 2.501 41.716 39.000 0.359 0.000 1.245 241 F HN 0.331 nan 8.300 nan 0.000 0.477 242 T N 0.660 115.449 114.554 0.393 0.000 2.971 242 T HA 0.399 4.749 4.350 -0.000 0.000 0.304 242 T C -1.979 172.822 174.700 0.168 0.000 1.038 242 T CA -0.684 61.580 62.100 0.274 0.000 1.007 242 T CB 1.901 70.830 68.868 0.101 0.000 1.055 242 T HN 0.452 nan 8.240 nan 0.000 0.451 243 D N 0.993 121.477 120.400 0.139 0.000 2.696 243 D HA 0.716 5.356 4.640 -0.000 0.000 0.251 243 D C 0.213 176.497 176.300 -0.027 0.000 1.188 243 D CA 0.267 54.185 54.000 -0.137 0.000 0.876 243 D CB 1.302 41.651 40.800 -0.752 0.000 1.334 243 D HN 0.890 nan 8.370 nan 0.000 0.540 244 G N 1.366 110.142 108.800 -0.039 0.000 2.491 244 G HA2 0.263 4.223 3.960 -0.000 0.000 0.183 244 G HA3 0.263 4.223 3.960 -0.000 0.000 0.183 244 G C -1.215 173.674 174.900 -0.019 0.000 1.221 244 G CA -0.262 44.829 45.100 -0.015 0.000 0.996 244 G HN 0.459 nan 8.290 nan 0.000 0.474 245 S N -0.441 115.248 115.700 -0.018 0.000 2.608 245 S HA 0.663 5.133 4.470 -0.000 0.000 0.291 245 S C 1.204 175.840 174.600 0.059 0.000 1.146 245 S CA 0.757 58.943 58.200 -0.023 0.000 1.043 245 S CB 1.415 64.563 63.200 -0.087 0.000 1.037 245 S HN 1.693 nan 8.310 nan 0.000 0.520 246 A N 2.144 125.006 122.820 0.070 0.000 1.997 246 A HA 0.193 4.513 4.320 -0.000 0.000 0.212 246 A C 1.189 178.810 177.584 0.061 0.000 1.178 246 A CA 0.542 52.690 52.037 0.185 0.000 0.698 246 A CB -0.424 18.641 19.000 0.109 0.000 0.842 246 A HN 0.695 nan 8.150 nan 0.000 0.458 247 T N 1.432 115.944 114.554 -0.070 0.000 3.419 247 T HA 0.502 4.852 4.350 -0.000 0.000 0.228 247 T C 0.357 174.741 174.700 -0.526 0.000 0.939 247 T CA 0.716 62.717 62.100 -0.164 0.000 0.992 247 T CB -0.749 68.072 68.868 -0.078 0.000 1.186 247 T HN 1.328 nan 8.240 nan 0.000 0.612 248 G N 2.344 110.570 108.800 -0.956 0.000 2.479 248 G HA2 0.012 3.972 3.960 -0.000 0.000 0.686 248 G HA3 0.012 3.972 3.960 -0.000 0.000 0.686 248 G C -3.225 171.218 174.900 -0.761 0.000 1.295 248 G CA -1.518 42.515 45.100 -1.778 0.000 0.922 248 G HN 0.168 nan 8.290 nan 0.000 0.582 249 P HA 0.458 nan 4.420 nan 0.000 0.267 249 P C 0.155 177.422 177.300 -0.056 0.000 1.200 249 P CA 1.009 63.999 63.100 -0.183 0.000 0.772 249 P CB 1.052 32.697 31.700 -0.091 0.000 0.855 250 A N 1.610 124.444 122.820 0.024 0.000 2.532 250 A HA 0.587 4.907 4.320 -0.000 0.000 0.290 250 A C -1.132 176.508 177.584 0.092 0.000 1.143 250 A CA -0.606 51.453 52.037 0.035 0.000 0.728 250 A CB 1.335 20.325 19.000 -0.016 0.000 1.317 250 A HN 0.500 nan 8.150 nan 0.000 0.414 251 E N 1.265 121.568 120.200 0.172 0.000 2.102 251 E HA 0.379 4.729 4.350 -0.000 0.000 0.263 251 E C -0.688 176.079 176.600 0.277 0.000 0.894 251 E CA -0.413 56.117 56.400 0.217 0.000 0.746 251 E CB 1.215 31.079 29.700 0.274 0.000 1.129 251 E HN 0.496 nan 8.360 nan 0.000 0.416 252 T N 2.907 117.559 114.554 0.163 0.000 2.907 252 T HA 0.547 4.897 4.350 -0.000 0.000 0.284 252 T C -0.368 174.378 174.700 0.078 0.000 1.004 252 T CA -0.570 61.634 62.100 0.173 0.000 1.063 252 T CB 0.828 69.755 68.868 0.099 0.000 0.992 252 T HN 0.428 nan 8.240 nan 0.000 0.483 253 R N 2.791 123.340 120.500 0.082 0.000 2.673 253 R HA 0.566 4.906 4.340 -0.000 0.000 0.281 253 R C -1.198 175.128 176.300 0.043 0.000 0.991 253 R CA -0.887 55.187 56.100 -0.043 0.000 0.896 253 R CB 1.820 31.910 30.300 -0.350 0.000 1.201 253 R HN 0.505 nan 8.270 nan 0.000 0.457 254 I N 2.101 122.586 120.570 -0.141 0.000 2.396 254 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 254 I C -0.887 175.029 176.117 -0.335 0.000 0.999 254 I CA -0.078 61.074 61.300 -0.247 0.000 1.310 254 I CB 0.692 38.403 38.000 -0.482 0.000 1.404 254 I HN 0.407 nan 8.210 nan 0.000 0.496 255 Y N 5.262 125.345 120.300 -0.360 0.000 2.462 255 Y HA 0.547 5.096 4.550 -0.000 0.000 0.346 255 Y C -1.121 174.315 175.900 -0.773 0.000 0.976 255 Y CA -0.544 57.287 58.100 -0.450 0.000 1.044 255 Y CB 1.692 39.968 38.460 -0.307 0.000 1.230 255 Y HN 0.337 nan 8.280 nan 0.000 0.455 256 Y N 3.075 123.183 120.300 -0.319 0.000 2.350 256 Y HA 0.578 5.128 4.550 -0.000 0.000 0.338 256 Y C -1.164 174.568 175.900 -0.280 0.000 0.961 256 Y CA -1.102 56.879 58.100 -0.198 0.000 1.100 256 Y CB 1.132 39.523 38.460 -0.115 0.000 1.179 256 Y HN 0.368 nan 8.280 nan 0.000 0.454 257 F N 2.628 122.696 119.950 0.197 0.000 2.532 257 F HA 0.577 5.104 4.527 -0.000 0.000 0.321 257 F C -0.159 175.666 175.800 0.042 0.000 1.089 257 F CA -1.231 56.839 58.000 0.117 0.000 0.926 257 F CB 1.907 40.962 39.000 0.092 0.000 1.168 257 F HN 0.144 nan 8.300 nan 0.000 0.459 258 K N 2.170 122.669 120.400 0.165 0.000 2.507 258 K HA 0.241 4.561 4.320 -0.000 0.000 0.252 258 K C -0.440 176.107 176.600 -0.087 0.000 0.943 258 K CA -0.325 55.965 56.287 0.005 0.000 0.808 258 K CB 1.353 33.825 32.500 -0.046 0.000 1.142 258 K HN 0.822 nan 8.250 nan 0.000 0.426 259 E N 2.069 122.099 120.200 -0.284 0.000 2.440 259 E HA -0.327 4.023 4.350 -0.000 0.000 0.246 259 E C 0.623 176.803 176.600 -0.700 0.000 1.165 259 E CA 0.830 56.771 56.400 -0.765 0.000 0.726 259 E CB -1.273 28.272 29.700 -0.258 0.000 1.271 259 E HN 1.165 nan 8.360 nan 0.000 0.397 260 G N -0.406 108.130 108.800 -0.440 0.000 2.527 260 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.218 260 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.218 260 G C 0.320 175.232 174.900 0.021 0.000 1.177 260 G CA 0.249 45.243 45.100 -0.176 0.000 0.695 260 G HN 0.171 nan 8.290 nan 0.000 0.517 261 K N 1.159 121.594 120.400 0.060 0.000 2.414 261 K HA 0.416 4.736 4.320 -0.000 0.000 0.272 261 K C 0.584 177.359 176.600 0.291 0.000 0.993 261 K CA -0.001 56.375 56.287 0.149 0.000 0.964 261 K CB 1.052 33.601 32.500 0.082 0.000 0.925 261 K HN 0.428 nan 8.250 nan 0.000 0.487 262 I N 3.133 123.878 120.570 0.291 0.000 2.472 262 I HA -0.004 4.166 4.170 -0.000 0.000 0.290 262 I C 1.369 177.557 176.117 0.117 0.000 1.016 262 I CA -0.133 61.309 61.300 0.236 0.000 1.348 262 I CB 0.644 38.792 38.000 0.246 0.000 1.417 262 I HN 0.446 nan 8.210 nan 0.000 0.521 263 L N 4.669 125.932 121.223 0.066 0.000 2.672 263 L HA 0.324 4.664 4.340 -0.000 0.000 0.236 263 L C 0.425 177.288 176.870 -0.013 0.000 1.092 263 L CA 0.212 55.066 54.840 0.024 0.000 0.887 263 L CB 0.265 42.329 42.059 0.009 0.000 1.168 263 L HN 0.656 nan 8.230 nan 0.000 0.502 264 K N -0.071 120.333 120.400 0.008 0.000 3.663 264 K HA 0.174 4.494 4.320 -0.000 0.000 0.413 264 K C -2.258 174.310 176.600 -0.053 0.000 1.089 264 K CA -0.746 55.501 56.287 -0.066 0.000 0.860 264 K CB 0.745 33.185 32.500 -0.100 0.000 1.492 264 K HN 0.054 nan 8.250 nan 0.000 0.517 265 W N 0.820 121.917 121.300 -0.338 0.000 3.005 265 W HA 0.672 5.332 4.660 -0.000 0.000 0.343 265 W C -1.667 174.624 176.519 -0.380 0.000 1.243 265 W CA -0.629 56.327 57.345 -0.649 0.000 1.186 265 W CB 0.901 29.470 29.460 -1.485 0.000 1.453 265 W HN 0.653 nan 8.180 nan 0.000 0.575 266 E N 1.618 121.814 120.200 -0.006 0.000 2.366 266 E HA 0.384 4.734 4.350 -0.000 0.000 0.278 266 E C -2.539 174.154 176.600 0.155 0.000 0.923 266 E CA -1.987 54.404 56.400 -0.016 0.000 0.761 266 E CB 3.402 33.144 29.700 0.070 0.000 1.231 266 E HN -0.057 nan 8.360 nan 0.000 0.443 267 P HA -0.039 nan 4.420 nan 0.000 0.271 267 P C -0.241 177.160 177.300 0.168 0.000 1.233 267 P CA -0.398 62.791 63.100 0.149 0.000 0.789 267 P CB 0.795 32.575 31.700 0.133 0.000 0.951 268 L N 0.935 122.248 121.223 0.149 0.000 2.461 268 L HA 0.151 4.491 4.340 -0.000 0.000 0.272 268 L C 0.023 177.053 176.870 0.267 0.000 1.197 268 L CA 1.079 56.074 54.840 0.257 0.000 0.836 268 L CB 0.233 42.384 42.059 0.153 0.000 1.105 268 L HN 0.412 nan 8.230 nan 0.000 0.477 269 T N 3.595 118.328 114.554 0.298 0.000 2.881 269 T HA 0.742 5.092 4.350 -0.000 0.000 0.291 269 T C -0.182 174.501 174.700 -0.029 0.000 0.990 269 T CA 0.219 62.318 62.100 -0.003 0.000 0.976 269 T CB 1.263 69.969 68.868 -0.271 0.000 0.970 269 T HN 1.122 nan 8.240 nan 0.000 0.438 270 G N 1.789 110.594 108.800 0.007 0.000 2.357 270 G HA2 0.138 4.098 3.960 -0.000 0.000 0.289 270 G HA3 0.138 4.098 3.960 -0.000 0.000 0.289 270 G C 0.603 175.533 174.900 0.051 0.000 1.302 270 G CA 0.174 45.278 45.100 0.008 0.000 0.936 270 G HN 0.728 nan 8.290 nan 0.000 0.513 271 T N -1.500 113.091 114.554 0.061 0.000 3.113 271 T HA 0.492 4.842 4.350 -0.000 0.000 0.256 271 T C 1.359 176.169 174.700 0.183 0.000 1.131 271 T CA 1.573 63.742 62.100 0.115 0.000 1.074 271 T CB 0.075 69.020 68.868 0.127 0.000 0.944 271 T HN 2.000 nan 8.240 nan 0.000 0.516 272 A N 1.779 124.650 122.820 0.085 0.000 2.489 272 A HA 0.385 4.705 4.320 -0.000 0.000 0.289 272 A C 1.519 179.212 177.584 0.181 0.000 1.216 272 A CA -0.362 51.689 52.037 0.023 0.000 0.883 272 A CB -0.005 18.902 19.000 -0.154 0.000 1.110 272 A HN 0.304 nan 8.150 nan 0.000 0.523 273 K N 0.984 121.580 120.400 0.327 0.000 2.127 273 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 273 K C 0.668 177.542 176.600 0.456 0.000 1.047 273 K CA 2.163 58.650 56.287 0.333 0.000 0.927 273 K CB -0.194 32.451 32.500 0.242 0.000 0.716 273 K HN 0.890 nan 8.250 nan 0.000 0.450 274 H N -1.521 117.717 119.070 0.280 0.000 3.140 274 H HA 0.308 4.864 4.556 -0.000 0.000 0.336 274 H C -1.667 173.759 175.328 0.164 0.000 1.142 274 H CA -0.792 55.415 56.048 0.264 0.000 1.308 274 H CB 0.582 30.582 29.762 0.396 0.000 1.970 274 H HN 0.012 nan 8.280 nan 0.000 0.521 275 I N 1.501 122.086 120.570 0.025 0.000 2.686 275 I HA 0.681 4.851 4.170 -0.000 0.000 0.295 275 I C -1.408 174.668 176.117 -0.069 0.000 1.114 275 I CA -0.658 60.654 61.300 0.021 0.000 1.038 275 I CB 2.582 40.585 38.000 0.005 0.000 1.238 275 I HN 0.688 nan 8.210 nan 0.000 0.420 276 E N 2.766 122.965 120.200 -0.002 0.000 2.388 276 E HA 0.444 4.793 4.350 -0.000 0.000 0.282 276 E C -1.506 175.097 176.600 0.005 0.000 1.026 276 E CA -1.061 55.337 56.400 -0.003 0.000 0.820 276 E CB 1.400 31.101 29.700 0.001 0.000 1.226 276 E HN 0.734 nan 8.360 nan 0.000 0.432 277 E N 0.186 120.380 120.200 -0.010 0.000 5.041 277 E HA -0.167 4.183 4.350 -0.000 0.000 0.185 277 E C -1.330 175.238 176.600 -0.053 0.000 1.775 277 E CA 0.647 57.021 56.400 -0.043 0.000 1.128 277 E CB -0.921 28.724 29.700 -0.091 0.000 1.025 277 E HN 0.578 nan 8.360 nan 0.000 0.332 278 c N 3.560 122.128 118.600 -0.054 0.000 2.298 278 c HA 0.378 4.948 4.570 -0.000 0.000 0.323 278 c C 0.662 174.733 174.090 -0.033 0.000 1.284 278 c CA -0.592 55.711 56.329 -0.044 0.000 1.577 278 c CB 1.254 43.738 42.510 -0.045 0.000 2.249 278 c HN 0.576 nan 8.230 nan 0.000 0.497 279 S N 2.137 117.833 115.700 -0.007 0.000 2.422 279 S HA 0.332 4.802 4.470 -0.000 0.000 0.283 279 S C -0.087 174.536 174.600 0.039 0.000 1.163 279 S CA -0.261 57.958 58.200 0.031 0.000 1.054 279 S CB -0.024 63.218 63.200 0.070 0.000 0.967 279 S HN 0.834 nan 8.310 nan 0.000 0.499 280 c N 3.923 122.549 118.600 0.043 0.000 2.529 280 c HA 0.838 5.408 4.570 -0.000 0.000 0.329 280 c C -0.498 173.660 174.090 0.113 0.000 1.194 280 c CA -0.950 55.398 56.329 0.032 0.000 1.779 280 c CB 0.243 42.750 42.510 -0.006 0.000 2.322 280 c HN 0.918 nan 8.230 nan 0.000 0.500 281 Y N -0.461 119.830 120.300 -0.015 0.000 2.544 281 Y HA 0.754 5.304 4.550 -0.000 0.000 0.342 281 Y C -0.267 175.647 175.900 0.024 0.000 1.062 281 Y CA -0.886 57.221 58.100 0.011 0.000 1.023 281 Y CB 0.880 39.351 38.460 0.017 0.000 1.308 281 Y HN 0.805 nan 8.280 nan 0.000 0.457 282 G N 1.160 110.004 108.800 0.072 0.000 2.388 282 G HA2 0.528 4.488 3.960 -0.000 0.000 0.330 282 G HA3 0.528 4.488 3.960 -0.000 0.000 0.330 282 G C -0.620 174.346 174.900 0.110 0.000 1.142 282 G CA -0.284 44.803 45.100 -0.021 0.000 0.908 282 G HN 0.999 nan 8.290 nan 0.000 0.473 283 E N 0.223 120.497 120.200 0.125 0.000 3.863 283 E HA 0.151 4.501 4.350 -0.000 0.000 0.197 283 E C 0.561 177.328 176.600 0.278 0.000 1.299 283 E CA -0.308 56.291 56.400 0.332 0.000 1.522 283 E CB 0.594 30.546 29.700 0.420 0.000 1.732 283 E HN 0.350 nan 8.360 nan 0.000 0.560 284 Q N 0.245 120.138 119.800 0.154 0.000 2.798 284 Q HA 0.523 4.863 4.340 -0.000 0.000 0.250 284 Q C -0.757 175.287 176.000 0.073 0.000 1.006 284 Q CA 0.204 56.075 55.803 0.114 0.000 0.759 284 Q CB 1.195 29.983 28.738 0.084 0.000 1.201 284 Q HN 0.631 nan 8.270 nan 0.000 0.486 285 A N 1.256 124.124 122.820 0.079 0.000 3.100 285 A HA -0.220 4.099 4.320 -0.000 0.000 0.268 285 A C 0.484 178.088 177.584 0.033 0.000 1.227 285 A CA 1.371 53.439 52.037 0.052 0.000 0.967 285 A CB -1.778 17.245 19.000 0.038 0.000 1.066 285 A HN 0.705 nan 8.150 nan 0.000 0.787 286 G N -2.601 106.213 108.800 0.022 0.000 2.730 286 G HA2 0.746 4.706 3.960 -0.000 0.000 0.289 286 G HA3 0.746 4.706 3.960 -0.000 0.000 0.289 286 G C -0.528 174.346 174.900 -0.043 0.000 1.341 286 G CA 0.164 45.264 45.100 -0.001 0.000 0.932 286 G HN 1.785 nan 8.290 nan 0.000 0.481 287 V N -1.121 118.752 119.914 -0.067 0.000 2.823 287 V HA 0.943 5.062 4.120 -0.000 0.000 0.312 287 V C -0.669 175.320 176.094 -0.175 0.000 1.072 287 V CA -0.319 61.897 62.300 -0.141 0.000 0.937 287 V CB 2.023 33.808 31.823 -0.063 0.000 1.013 287 V HN 0.874 nan 8.190 nan 0.000 0.430 288 T N 4.225 118.594 114.554 -0.308 0.000 2.909 288 T HA 0.727 5.077 4.350 -0.000 0.000 0.299 288 T C -1.199 173.387 174.700 -0.189 0.000 1.073 288 T CA -0.301 61.647 62.100 -0.253 0.000 0.999 288 T CB 1.292 69.942 68.868 -0.362 0.000 1.098 288 T HN 1.061 nan 8.240 nan 0.000 0.477 289 c N 1.909 120.457 118.600 -0.087 0.000 2.985 289 c HA 0.760 5.330 4.570 -0.000 0.000 0.314 289 c C 0.016 174.088 174.090 -0.030 0.000 1.215 289 c CA -1.129 55.175 56.329 -0.041 0.000 1.414 289 c CB 1.550 44.036 42.510 -0.040 0.000 1.842 289 c HN 0.964 nan 8.230 nan 0.000 0.477 290 T N 0.382 114.925 114.554 -0.017 0.000 2.829 290 T HA 0.694 5.044 4.350 -0.000 0.000 0.282 290 T C 0.019 174.701 174.700 -0.031 0.000 0.990 290 T CA -0.384 61.698 62.100 -0.031 0.000 1.028 290 T CB 0.891 69.737 68.868 -0.036 0.000 0.951 290 T HN 0.839 nan 8.240 nan 0.000 0.460 291 c N 1.260 119.838 118.600 -0.037 0.000 3.704 291 c HA 0.791 5.361 4.570 -0.000 0.000 0.338 291 c C 0.018 174.106 174.090 -0.004 0.000 3.585 291 c CA -1.086 55.228 56.329 -0.024 0.000 1.633 291 c CB 1.046 43.544 42.510 -0.021 0.000 4.025 291 c HN 0.894 nan 8.230 nan 0.000 0.531 292 R N 1.322 121.840 120.500 0.030 0.000 2.513 292 R HA 0.355 4.695 4.340 -0.000 0.000 0.301 292 R C -2.121 174.295 176.300 0.192 0.000 0.968 292 R CA -0.050 56.099 56.100 0.080 0.000 0.872 292 R CB 1.468 31.797 30.300 0.048 0.000 1.177 292 R HN 0.856 nan 8.270 nan 0.000 0.444 293 D N 2.993 123.531 120.400 0.230 0.000 2.428 293 D HA 0.072 4.712 4.640 -0.000 0.000 0.221 293 D C 0.516 176.951 176.300 0.225 0.000 1.123 293 D CA -0.140 54.071 54.000 0.352 0.000 0.869 293 D CB 0.977 41.977 40.800 0.333 0.000 1.032 293 D HN 0.615 nan 8.370 nan 0.000 0.506 294 N N 3.503 122.348 118.700 0.240 0.000 2.250 294 N HA -0.096 4.644 4.740 -0.000 0.000 0.181 294 N C 1.224 176.726 175.510 -0.014 0.000 1.017 294 N CA 0.673 53.787 53.050 0.107 0.000 0.866 294 N CB 0.003 38.630 38.487 0.233 0.000 0.985 294 N HN 0.466 nan 8.380 nan 0.000 0.429 295 W N 1.356 122.327 121.300 -0.550 0.000 2.316 295 W HA -0.058 4.602 4.660 -0.000 0.000 0.324 295 W C 1.834 178.267 176.519 -0.144 0.000 1.196 295 W CA 1.689 58.817 57.345 -0.360 0.000 1.232 295 W CB -0.873 28.294 29.460 -0.488 0.000 1.191 295 W HN 0.162 nan 8.180 nan 0.000 0.453 296 Q N -0.997 118.710 119.800 -0.155 0.000 2.394 296 Q HA 0.194 4.534 4.340 -0.000 0.000 0.218 296 Q C 1.087 177.026 176.000 -0.102 0.000 0.907 296 Q CA 0.527 56.181 55.803 -0.249 0.000 0.919 296 Q CB 0.025 28.449 28.738 -0.524 0.000 1.051 296 Q HN 0.168 nan 8.270 nan 0.000 0.538 297 G N -0.156 108.640 108.800 -0.007 0.000 2.432 297 G HA2 0.233 4.193 3.960 -0.000 0.000 0.257 297 G HA3 0.233 4.193 3.960 -0.000 0.000 0.257 297 G C 0.088 175.041 174.900 0.089 0.000 1.238 297 G CA -0.309 44.824 45.100 0.055 0.000 0.838 297 G HN 0.033 nan 8.290 nan 0.000 0.547 298 S N 0.593 116.350 115.700 0.095 0.000 2.526 298 S HA 0.077 4.547 4.470 -0.000 0.000 0.220 298 S C 0.814 175.459 174.600 0.076 0.000 1.017 298 S CA -0.436 57.813 58.200 0.083 0.000 0.930 298 S CB 0.065 63.317 63.200 0.086 0.000 0.856 298 S HN 0.830 nan 8.310 nan 0.000 0.497 299 N N 1.965 120.742 118.700 0.128 0.000 2.482 299 N HA 0.300 5.039 4.740 -0.000 0.000 0.279 299 N C -0.693 174.960 175.510 0.239 0.000 1.182 299 N CA -0.606 52.532 53.050 0.146 0.000 0.969 299 N CB 0.603 39.199 38.487 0.183 0.000 1.201 299 N HN 0.037 nan 8.380 nan 0.000 0.523 300 R N 0.146 120.749 120.500 0.172 0.000 2.368 300 R HA 0.420 4.760 4.340 -0.000 0.000 0.302 300 R C -2.223 174.068 176.300 -0.015 0.000 1.002 300 R CA -1.654 54.505 56.100 0.098 0.000 0.929 300 R CB 1.056 31.362 30.300 0.010 0.000 1.073 300 R HN 0.523 nan 8.270 nan 0.000 0.464 301 P HA 0.057 nan 4.420 nan 0.000 0.271 301 P C -0.559 176.599 177.300 -0.237 0.000 1.218 301 P CA -0.129 62.652 63.100 -0.532 0.000 0.780 301 P CB 0.981 32.426 31.700 -0.424 0.000 0.901 302 V N 4.117 123.898 119.914 -0.221 0.000 2.709 302 V HA 0.451 4.571 4.120 -0.000 0.000 0.308 302 V C 0.207 176.257 176.094 -0.073 0.000 1.062 302 V CA -0.621 61.616 62.300 -0.105 0.000 0.901 302 V CB 1.996 33.778 31.823 -0.069 0.000 1.003 302 V HN 0.386 nan 8.190 nan 0.000 0.425 303 I N 3.689 124.237 120.570 -0.037 0.000 2.466 303 I HA 0.477 4.647 4.170 -0.000 0.000 0.289 303 I C -0.599 175.516 176.117 -0.002 0.000 1.026 303 I CA -0.501 60.803 61.300 0.007 0.000 1.078 303 I CB 2.132 40.147 38.000 0.024 0.000 1.249 303 I HN 0.551 nan 8.210 nan 0.000 0.429 304 Q N 5.832 125.641 119.800 0.015 0.000 2.325 304 Q HA 0.618 4.958 4.340 -0.000 0.000 0.262 304 Q C -1.120 174.906 176.000 0.043 0.000 0.968 304 Q CA -0.393 55.408 55.803 -0.003 0.000 0.877 304 Q CB 2.171 30.904 28.738 -0.009 0.000 1.253 304 Q HN 0.539 nan 8.270 nan 0.000 0.448 305 I N 2.172 122.765 120.570 0.037 0.000 2.377 305 I HA 0.239 4.409 4.170 -0.000 0.000 0.293 305 I C -0.552 175.608 176.117 0.072 0.000 0.987 305 I CA -0.805 60.550 61.300 0.092 0.000 1.185 305 I CB 1.574 39.620 38.000 0.078 0.000 1.341 305 I HN 0.519 nan 8.210 nan 0.000 0.455 306 D N 8.995 129.447 120.400 0.087 0.000 2.373 306 D HA 0.249 4.889 4.640 -0.000 0.000 0.227 306 D C -1.817 174.519 176.300 0.061 0.000 1.091 306 D CA -2.469 51.559 54.000 0.047 0.000 0.840 306 D CB 1.853 42.664 40.800 0.018 0.000 1.060 306 D HN 0.176 nan 8.370 nan 0.000 0.502 307 P HA -0.124 nan 4.420 nan 0.000 0.218 307 P C 1.513 178.786 177.300 -0.046 0.000 1.152 307 P CA 0.765 63.906 63.100 0.068 0.000 0.826 307 P CB 0.161 31.910 31.700 0.082 0.000 0.790 308 V N -0.565 119.322 119.914 -0.044 0.000 2.270 308 V HA -0.043 4.077 4.120 -0.000 0.000 0.245 308 V C 2.571 178.599 176.094 -0.112 0.000 1.043 308 V CA 2.083 64.341 62.300 -0.071 0.000 1.014 308 V CB -2.349 29.450 31.823 -0.040 0.000 0.645 308 V HN 0.043 nan 8.190 nan 0.000 0.447 309 A N -1.157 121.603 122.820 -0.100 0.000 2.238 309 A HA 0.363 4.683 4.320 -0.000 0.000 0.208 309 A C 1.358 178.831 177.584 -0.185 0.000 1.177 309 A CA 0.477 52.442 52.037 -0.120 0.000 0.804 309 A CB -0.881 18.071 19.000 -0.079 0.000 0.823 309 A HN 0.663 nan 8.150 nan 0.000 0.482 310 M N 0.493 119.933 119.600 -0.267 0.000 2.253 310 M HA -0.166 4.314 4.480 -0.000 0.000 0.195 310 M C -0.308 175.888 176.300 -0.174 0.000 0.512 310 M CA 0.966 55.953 55.300 -0.522 0.000 0.442 310 M CB -2.017 30.033 32.600 -0.916 0.000 1.189 310 M HN 0.506 nan 8.290 nan 0.000 0.923 311 T N -2.267 112.297 114.554 0.017 0.000 2.926 311 T HA 0.898 5.248 4.350 -0.000 0.000 0.289 311 T C -0.490 174.334 174.700 0.206 0.000 1.054 311 T CA -0.660 61.497 62.100 0.096 0.000 1.015 311 T CB 2.046 70.913 68.868 -0.002 0.000 1.167 311 T HN 0.610 nan 8.240 nan 0.000 0.526 312 H N -2.003 117.089 119.070 0.037 0.000 2.960 312 H HA 0.829 5.385 4.556 -0.000 0.000 0.323 312 H C -1.504 173.828 175.328 0.008 0.000 1.326 312 H CA -0.957 55.108 56.048 0.029 0.000 1.124 312 H CB 1.568 31.355 29.762 0.042 0.000 1.853 312 H HN 0.675 nan 8.280 nan 0.000 0.536 313 T N 1.197 115.723 114.554 -0.045 0.000 3.097 313 T HA 0.458 4.808 4.350 -0.000 0.000 0.332 313 T C -1.184 173.514 174.700 -0.003 0.000 1.269 313 T CA -0.513 61.527 62.100 -0.100 0.000 1.076 313 T CB 1.323 70.152 68.868 -0.066 0.000 1.209 313 T HN 0.936 nan 8.240 nan 0.000 0.474 314 S N 2.727 118.422 115.700 -0.009 0.000 2.704 314 S HA 0.947 5.417 4.470 -0.000 0.000 0.305 314 S C -0.674 173.908 174.600 -0.030 0.000 1.107 314 S CA -0.666 57.527 58.200 -0.012 0.000 0.993 314 S CB 2.253 65.457 63.200 0.006 0.000 1.110 314 S HN 0.978 nan 8.310 nan 0.000 0.534 315 Q N -0.421 119.328 119.800 -0.086 0.000 2.847 315 Q HA 0.476 4.816 4.340 -0.000 0.000 0.333 315 Q C -2.004 173.869 176.000 -0.213 0.000 0.779 315 Q CA -1.008 54.770 55.803 -0.041 0.000 0.863 315 Q CB 0.351 29.104 28.738 0.025 0.000 1.346 315 Q HN 0.665 nan 8.270 nan 0.000 0.498 316 Y N -0.094 120.222 120.300 0.026 0.000 2.587 316 Y HA 0.592 5.142 4.550 -0.000 0.000 0.337 316 Y C 0.054 175.967 175.900 0.021 0.000 1.065 316 Y CA -1.056 57.060 58.100 0.027 0.000 1.126 316 Y CB 1.656 40.136 38.460 0.032 0.000 1.279 316 Y HN 0.460 nan 8.280 nan 0.000 0.489 317 I N 1.397 122.059 120.570 0.154 0.000 2.496 317 I HA -0.088 4.082 4.170 -0.000 0.000 0.285 317 I C 0.392 176.570 176.117 0.101 0.000 1.080 317 I CA 0.089 61.441 61.300 0.086 0.000 1.404 317 I CB 0.769 38.795 38.000 0.043 0.000 1.403 317 I HN 0.824 nan 8.210 nan 0.000 0.539 318 c N 3.664 122.304 118.600 0.067 0.000 2.456 318 c HA -0.041 4.529 4.570 -0.000 0.000 0.279 318 c C 1.682 175.790 174.090 0.030 0.000 1.427 318 c CA 0.085 56.449 56.329 0.057 0.000 1.778 318 c CB -1.044 41.492 42.510 0.042 0.000 1.842 318 c HN 0.798 nan 8.230 nan 0.000 0.531 319 S N 1.667 117.369 115.700 0.004 0.000 2.549 319 S HA 0.004 4.474 4.470 -0.000 0.000 0.278 319 S C -1.287 173.268 174.600 -0.075 0.000 1.344 319 S CA -0.072 58.108 58.200 -0.034 0.000 1.025 319 S CB 0.444 63.614 63.200 -0.049 0.000 0.851 319 S HN 0.318 nan 8.310 nan 0.000 0.530 320 P HA 0.084 nan 4.420 nan 0.000 0.236 320 P C -0.466 176.735 177.300 -0.166 0.000 1.177 320 P CA 0.327 63.329 63.100 -0.164 0.000 0.773 320 P CB 0.113 31.741 31.700 -0.120 0.000 0.878 321 V N 1.913 121.752 119.914 -0.125 0.000 2.370 321 V HA 0.069 4.189 4.120 -0.000 0.000 0.257 321 V C 0.533 176.551 176.094 -0.127 0.000 1.064 321 V CA -0.152 62.076 62.300 -0.121 0.000 0.975 321 V CB -0.480 31.279 31.823 -0.107 0.000 1.067 321 V HN 0.017 nan 8.190 nan 0.000 0.485 322 L N 4.865 126.002 121.223 -0.144 0.000 2.371 322 L HA 0.381 4.720 4.340 -0.000 0.000 0.272 322 L C 1.334 178.147 176.870 -0.094 0.000 1.124 322 L CA 0.038 54.802 54.840 -0.128 0.000 0.816 322 L CB 1.589 43.550 42.059 -0.163 0.000 1.129 322 L HN 0.799 nan 8.230 nan 0.000 0.448 323 T N -3.840 110.670 114.554 -0.072 0.000 3.004 323 T HA 0.122 4.472 4.350 -0.000 0.000 0.266 323 T C 0.381 175.057 174.700 -0.040 0.000 0.986 323 T CA -0.442 61.611 62.100 -0.078 0.000 0.902 323 T CB 0.252 69.055 68.868 -0.108 0.000 1.118 323 T HN 0.362 nan 8.240 nan 0.000 0.522 324 D N 2.172 122.566 120.400 -0.010 0.000 2.354 324 D HA 0.259 4.898 4.640 -0.000 0.000 0.247 324 D C -0.588 175.729 176.300 0.028 0.000 1.138 324 D CA -0.171 53.842 54.000 0.021 0.000 0.958 324 D CB 0.977 41.802 40.800 0.043 0.000 1.144 324 D HN 0.352 nan 8.370 nan 0.000 0.458 325 N N 1.438 120.170 118.700 0.053 0.000 2.296 325 N HA 0.323 5.063 4.740 -0.000 0.000 0.294 325 N C -2.841 172.713 175.510 0.073 0.000 1.033 325 N CA -1.596 51.493 53.050 0.064 0.000 0.839 325 N CB 2.094 40.635 38.487 0.091 0.000 1.395 325 N HN 0.010 nan 8.380 nan 0.000 0.479 326 P HA 0.097 nan 4.420 nan 0.000 0.269 326 P C -0.825 176.499 177.300 0.039 0.000 1.209 326 P CA 0.201 63.332 63.100 0.051 0.000 0.776 326 P CB 0.627 32.357 31.700 0.049 0.000 0.876 327 R N 3.055 123.571 120.500 0.026 0.000 2.930 327 R HA 0.707 5.047 4.340 -0.000 0.000 0.257 327 R C -2.761 173.548 176.300 0.014 0.000 1.107 327 R CA -2.365 53.744 56.100 0.015 0.000 0.999 327 R CB 0.288 30.582 30.300 -0.010 0.000 1.209 327 R HN 0.194 nan 8.270 nan 0.000 0.486 328 P HA 0.006 nan 4.420 nan 0.000 0.275 328 P C -0.755 176.529 177.300 -0.028 0.000 1.266 328 P CA -0.445 62.660 63.100 0.008 0.000 0.793 328 P CB 0.446 32.171 31.700 0.041 0.000 1.074 329 N N 0.512 119.198 118.700 -0.024 0.000 2.415 329 N HA 0.001 4.741 4.740 -0.000 0.000 0.248 329 N C -0.216 175.248 175.510 -0.077 0.000 1.271 329 N CA 0.277 53.303 53.050 -0.039 0.000 0.913 329 N CB -0.142 38.331 38.487 -0.023 0.000 1.129 329 N HN 0.346 nan 8.380 nan 0.000 0.444 330 D N 2.146 122.495 120.400 -0.085 0.000 2.402 330 D HA 0.074 4.714 4.640 -0.000 0.000 0.268 330 D C -1.629 174.600 176.300 -0.118 0.000 1.294 330 D CA -0.421 53.508 54.000 -0.118 0.000 0.945 330 D CB 0.137 40.882 40.800 -0.093 0.000 1.112 330 D HN 0.270 nan 8.370 nan 0.000 0.517 331 P HA 0.043 nan 4.420 nan 0.000 0.272 331 P C 0.514 177.767 177.300 -0.080 0.000 1.240 331 P CA -0.337 62.689 63.100 -0.124 0.000 0.791 331 P CB 0.941 32.518 31.700 -0.205 0.000 0.978 332 T N -0.543 113.992 114.554 -0.032 0.000 2.851 332 T HA 0.025 4.375 4.350 -0.000 0.000 0.262 332 T C 1.070 175.759 174.700 -0.018 0.000 1.043 332 T CA 0.682 62.768 62.100 -0.023 0.000 1.140 332 T CB -0.118 68.746 68.868 -0.008 0.000 0.872 332 T HN 0.274 nan 8.240 nan 0.000 0.446 336 K N 0.115 120.652 120.400 0.229 0.000 2.425 336 K HA 0.430 4.750 4.320 -0.000 0.000 0.259 336 K C 0.423 177.062 176.600 0.066 0.000 0.978 336 K CA -0.728 55.612 56.287 0.089 0.000 0.883 336 K CB 1.499 33.986 32.500 -0.022 0.000 1.110 336 K HN 0.449 nan 8.250 nan 0.000 0.436 337 c N 2.232 120.866 118.600 0.056 0.000 2.446 337 c HA -0.065 4.505 4.570 -0.000 0.000 0.277 337 c C 1.409 175.574 174.090 0.126 0.000 1.275 337 c CA 0.717 57.097 56.329 0.085 0.000 1.727 337 c CB -0.691 41.855 42.510 0.061 0.000 2.010 337 c HN 0.873 nan 8.230 nan 0.000 0.486 338 N N -0.591 118.151 118.700 0.070 0.000 2.184 338 N HA 0.139 4.879 4.740 -0.000 0.000 0.206 338 N C -1.044 174.504 175.510 0.064 0.000 1.151 338 N CA 0.126 53.243 53.050 0.112 0.000 0.878 338 N CB 0.435 38.961 38.487 0.065 0.000 1.014 338 N HN 0.423 nan 8.380 nan 0.000 0.512 339 D N -0.303 120.010 120.400 -0.144 0.000 2.581 339 D HA 0.282 4.922 4.640 -0.000 0.000 0.232 339 D C -2.599 173.226 176.300 -0.791 0.000 1.143 339 D CA -1.725 52.069 54.000 -0.342 0.000 0.881 339 D CB 2.177 42.846 40.800 -0.219 0.000 1.500 339 D HN -0.170 nan 8.370 nan 0.000 0.458 340 P HA 0.027 nan 4.420 nan 0.000 0.269 340 P C -0.908 176.135 177.300 -0.429 0.000 1.209 340 P CA -0.132 62.456 63.100 -0.853 0.000 0.776 340 P CB 0.429 31.809 31.700 -0.533 0.000 0.876 341 Y N 4.356 124.477 120.300 -0.298 0.000 2.336 341 Y HA 0.321 4.871 4.550 -0.000 0.000 0.335 341 Y C -1.993 173.822 175.900 -0.142 0.000 1.046 341 Y CA -1.804 56.188 58.100 -0.180 0.000 1.198 341 Y CB 0.478 38.869 38.460 -0.115 0.000 1.182 341 Y HN 0.344 nan 8.280 nan 0.000 0.502 342 P HA 0.496 nan 4.420 nan 0.000 0.278 342 P C 0.018 177.329 177.300 0.018 0.000 1.266 342 P CA 0.637 63.649 63.100 -0.146 0.000 0.807 342 P CB 1.444 33.000 31.700 -0.241 0.000 1.094 343 G N -0.142 108.652 108.800 -0.009 0.000 1.929 343 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 343 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 343 G C -0.224 174.686 174.900 0.016 0.000 2.200 343 G CA -0.479 44.633 45.100 0.021 0.000 1.552 343 G HN 0.555 nan 8.290 nan 0.000 0.498 344 N N 2.642 121.361 118.700 0.031 0.000 2.470 344 N HA 0.472 5.211 4.740 -0.000 0.000 0.268 344 N C -0.165 175.359 175.510 0.023 0.000 1.136 344 N CA 0.762 53.829 53.050 0.029 0.000 0.961 344 N CB 0.816 39.325 38.487 0.036 0.000 1.067 344 N HN 0.878 nan 8.380 nan 0.000 0.468 345 N N 0.505 119.220 118.700 0.025 0.000 2.525 345 N HA 0.359 5.099 4.740 -0.000 0.000 0.270 345 N C -0.724 174.820 175.510 0.056 0.000 1.321 345 N CA -0.674 52.393 53.050 0.028 0.000 0.797 345 N CB 1.266 39.755 38.487 0.004 0.000 1.529 345 N HN 0.395 nan 8.380 nan 0.000 0.491 346 N N -1.523 117.227 118.700 0.083 0.000 2.999 346 N HA -0.190 4.550 4.740 -0.000 0.000 0.242 346 N C -1.700 173.852 175.510 0.071 0.000 1.016 346 N CA 1.017 54.117 53.050 0.085 0.000 0.894 346 N CB -1.457 37.072 38.487 0.070 0.000 1.113 346 N HN 0.819 nan 8.380 nan 0.000 0.555 347 N N -2.047 116.697 118.700 0.074 0.000 3.227 347 N HA 0.670 5.410 4.740 -0.000 0.000 0.241 347 N C -1.277 174.286 175.510 0.088 0.000 1.480 347 N CA -0.339 52.758 53.050 0.077 0.000 0.886 347 N CB 1.347 39.873 38.487 0.065 0.000 1.406 347 N HN 0.196 nan 8.380 nan 0.000 0.514 348 G N -0.085 108.774 108.800 0.097 0.000 2.320 348 G HA2 0.375 4.335 3.960 -0.000 0.000 0.297 348 G HA3 0.375 4.335 3.960 -0.000 0.000 0.297 348 G C -2.125 172.838 174.900 0.104 0.000 1.344 348 G CA -0.487 44.670 45.100 0.094 0.000 0.851 348 G HN 0.452 nan 8.290 nan 0.000 0.567 349 V N -0.069 119.888 119.914 0.073 0.000 3.040 349 V HA 0.662 4.781 4.120 -0.000 0.000 0.312 349 V C 0.189 176.217 176.094 -0.110 0.000 1.115 349 V CA -1.061 61.274 62.300 0.058 0.000 0.998 349 V CB 2.074 33.987 31.823 0.150 0.000 1.042 349 V HN 0.977 nan 8.190 nan 0.000 0.433 350 K N 0.872 121.022 120.400 -0.417 0.000 2.237 350 K HA 0.657 4.977 4.320 -0.000 0.000 0.270 350 K C -0.006 176.515 176.600 -0.132 0.000 1.015 350 K CA 0.289 56.351 56.287 -0.374 0.000 0.949 350 K CB 1.116 33.181 32.500 -0.725 0.000 0.976 350 K HN 1.017 nan 8.250 nan 0.000 0.472 351 G N 2.042 110.813 108.800 -0.048 0.000 2.645 351 G HA2 0.572 4.532 3.960 -0.000 0.000 0.292 351 G HA3 0.572 4.532 3.960 -0.000 0.000 0.292 351 G C -1.678 173.258 174.900 0.060 0.000 1.415 351 G CA -0.899 44.221 45.100 0.034 0.000 0.785 351 G HN 0.601 nan 8.290 nan 0.000 0.483 352 F N -0.694 119.194 119.950 -0.103 0.000 2.691 352 F HA 0.920 5.447 4.527 -0.000 0.000 0.334 352 F C -0.154 175.571 175.800 -0.125 0.000 1.107 352 F CA -1.081 56.838 58.000 -0.135 0.000 0.991 352 F CB 1.804 40.693 39.000 -0.185 0.000 1.400 352 F HN 0.964 nan 8.300 nan 0.000 0.503 353 S N -0.896 114.624 115.700 -0.299 0.000 2.587 353 S HA 0.580 5.050 4.470 -0.000 0.000 0.269 353 S C -2.259 172.258 174.600 -0.138 0.000 1.154 353 S CA -0.854 57.147 58.200 -0.331 0.000 0.824 353 S CB 1.259 64.353 63.200 -0.177 0.000 1.118 353 S HN 0.730 nan 8.310 nan 0.000 0.462 354 Y N 0.781 121.159 120.300 0.130 0.000 2.426 354 Y HA 0.488 5.038 4.550 -0.000 0.000 0.325 354 Y C -0.528 175.483 175.900 0.184 0.000 0.989 354 Y CA -0.720 57.439 58.100 0.098 0.000 1.284 354 Y CB 1.335 39.812 38.460 0.029 0.000 1.104 354 Y HN 0.561 nan 8.280 nan 0.000 0.481 355 L N 3.902 125.331 121.223 0.344 0.000 2.397 355 L HA 0.287 4.627 4.340 -0.000 0.000 0.263 355 L C -0.257 176.774 176.870 0.269 0.000 1.136 355 L CA 0.028 55.014 54.840 0.244 0.000 1.019 355 L CB 0.272 42.436 42.059 0.175 0.000 1.352 355 L HN 0.559 nan 8.230 nan 0.000 0.420 356 D N 2.200 122.748 120.400 0.246 0.000 2.863 356 D HA 0.437 5.077 4.640 -0.000 0.000 0.323 356 D C 0.965 177.349 176.300 0.140 0.000 1.286 356 D CA 0.552 54.678 54.000 0.211 0.000 0.921 356 D CB 0.534 41.467 40.800 0.222 0.000 1.024 356 D HN 0.533 nan 8.370 nan 0.000 0.505 357 G N 1.038 109.906 108.800 0.113 0.000 2.565 357 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.295 357 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.295 357 G C 1.287 176.224 174.900 0.063 0.000 1.165 357 G CA 0.131 45.276 45.100 0.075 0.000 0.977 357 G HN 0.663 nan 8.290 nan 0.000 0.546 358 G N 0.513 109.344 108.800 0.052 0.000 2.422 358 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.218 358 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.218 358 G C 1.097 176.027 174.900 0.049 0.000 1.146 358 G CA 1.359 46.481 45.100 0.036 0.000 0.769 358 G HN 1.006 nan 8.290 nan 0.000 0.547 359 N N 0.381 119.135 118.700 0.090 0.000 3.193 359 N HA 0.169 4.908 4.740 -0.000 0.000 0.312 359 N C -0.666 174.972 175.510 0.214 0.000 1.261 359 N CA 0.072 53.211 53.050 0.149 0.000 1.208 359 N CB -0.175 38.392 38.487 0.133 0.000 1.471 359 N HN 0.042 nan 8.380 nan 0.000 0.548 360 T N 0.446 115.085 114.554 0.141 0.000 2.809 360 T HA 0.451 4.801 4.350 -0.000 0.000 0.284 360 T C -1.453 173.281 174.700 0.056 0.000 0.992 360 T CA -0.477 61.723 62.100 0.166 0.000 0.957 360 T CB 0.195 69.117 68.868 0.091 0.000 0.942 360 T HN 0.247 nan 8.240 nan 0.000 0.439 361 W N 4.980 126.369 121.300 0.147 0.000 2.702 361 W HA 0.704 5.364 4.660 -0.000 0.000 0.331 361 W C -0.733 175.782 176.519 -0.007 0.000 1.049 361 W CA -0.774 56.654 57.345 0.138 0.000 1.230 361 W CB 1.495 31.175 29.460 0.368 0.000 1.408 361 W HN 0.443 nan 8.180 nan 0.000 0.492 362 L N 2.543 123.801 121.223 0.060 0.000 2.319 362 L HA 0.946 5.286 4.340 -0.000 0.000 0.267 362 L C 0.529 177.205 176.870 -0.323 0.000 1.011 362 L CA -1.106 53.621 54.840 -0.188 0.000 0.818 362 L CB 1.690 43.651 42.059 -0.163 0.000 1.316 362 L HN 0.545 nan 8.230 nan 0.000 0.432 363 G N 0.789 109.243 108.800 -0.577 0.000 2.498 363 G HA2 0.820 4.780 3.960 -0.000 0.000 0.312 363 G HA3 0.820 4.780 3.960 -0.000 0.000 0.312 363 G C -1.363 173.239 174.900 -0.496 0.000 1.230 363 G CA -0.487 44.266 45.100 -0.579 0.000 0.968 363 G HN 0.677 nan 8.290 nan 0.000 0.481 364 R N -1.092 119.042 120.500 -0.611 0.000 2.762 364 R HA 0.605 4.945 4.340 -0.000 0.000 0.271 364 R C -0.627 175.431 176.300 -0.403 0.000 1.038 364 R CA -0.735 55.144 56.100 -0.368 0.000 0.906 364 R CB 0.263 30.432 30.300 -0.219 0.000 1.259 364 R HN 0.648 nan 8.270 nan 0.000 0.457 365 T N -0.844 113.650 114.554 -0.102 0.000 2.899 365 T HA 0.293 4.643 4.350 -0.000 0.000 0.295 365 T C 1.491 176.172 174.700 -0.032 0.000 1.033 365 T CA -0.558 61.553 62.100 0.018 0.000 1.084 365 T CB 0.587 69.520 68.868 0.109 0.000 0.979 365 T HN 0.664 nan 8.240 nan 0.000 0.532 366 I N -1.472 119.098 120.570 -0.001 0.000 3.684 366 I HA 0.301 4.471 4.170 -0.000 0.000 0.304 366 I C 0.630 176.751 176.117 0.007 0.000 1.278 366 I CA -0.185 61.106 61.300 -0.014 0.000 1.272 366 I CB 0.254 38.250 38.000 -0.005 0.000 1.029 366 I HN 0.336 nan 8.210 nan 0.000 0.458 367 S N 0.919 116.640 115.700 0.035 0.000 2.438 367 S HA 0.492 4.962 4.470 -0.000 0.000 0.316 367 S C 1.107 175.736 174.600 0.047 0.000 1.084 367 S CA -0.649 57.577 58.200 0.043 0.000 1.107 367 S CB 1.198 64.438 63.200 0.067 0.000 0.981 367 S HN 0.317 nan 8.310 nan 0.000 0.466 368 I N 2.627 123.215 120.570 0.030 0.000 2.300 368 I HA -0.288 3.882 4.170 -0.000 0.000 0.252 368 I C 2.103 178.246 176.117 0.043 0.000 1.119 368 I CA 1.735 63.051 61.300 0.026 0.000 1.384 368 I CB -0.089 37.920 38.000 0.015 0.000 1.062 368 I HN 0.699 nan 8.210 nan 0.000 0.426 369 A N -1.158 121.696 122.820 0.057 0.000 2.324 369 A HA 0.330 4.650 4.320 -0.000 0.000 0.220 369 A C 0.655 178.292 177.584 0.089 0.000 1.209 369 A CA 0.149 52.226 52.037 0.066 0.000 0.918 369 A CB 0.272 19.307 19.000 0.058 0.000 0.959 369 A HN 0.316 nan 8.150 nan 0.000 0.507 370 S N -0.737 115.036 115.700 0.121 0.000 2.550 370 S HA 0.471 4.941 4.470 -0.000 0.000 0.270 370 S C -0.783 173.941 174.600 0.208 0.000 1.145 370 S CA -0.900 57.399 58.200 0.164 0.000 0.852 370 S CB 1.112 64.450 63.200 0.230 0.000 1.119 370 S HN 0.322 nan 8.310 nan 0.000 0.465 371 R N 1.560 122.195 120.500 0.225 0.000 2.853 371 R HA 0.365 4.704 4.340 -0.000 0.000 0.238 371 R C -0.644 175.885 176.300 0.381 0.000 1.538 371 R CA 0.083 56.340 56.100 0.261 0.000 1.166 371 R CB -0.432 30.001 30.300 0.222 0.000 1.201 371 R HN 0.493 nan 8.270 nan 0.000 0.606 372 S N 0.895 116.775 115.700 0.299 0.000 2.614 372 S HA 0.715 5.185 4.470 -0.000 0.000 0.288 372 S C 0.008 174.687 174.600 0.133 0.000 1.137 372 S CA -0.379 57.945 58.200 0.206 0.000 0.992 372 S CB 2.190 65.429 63.200 0.065 0.000 1.026 372 S HN 0.856 nan 8.310 nan 0.000 0.486 373 G N 1.307 110.182 108.800 0.124 0.000 2.795 373 G HA2 0.016 3.976 3.960 -0.000 0.000 0.664 373 G HA3 0.016 3.976 3.960 -0.000 0.000 0.664 373 G C -1.574 173.486 174.900 0.266 0.000 1.381 373 G CA -0.617 44.566 45.100 0.138 0.000 0.853 373 G HN 0.952 nan 8.290 nan 0.000 0.545 374 Y N 0.442 120.792 120.300 0.083 0.000 2.521 374 Y HA 0.565 5.115 4.550 -0.000 0.000 0.328 374 Y C -0.496 175.451 175.900 0.078 0.000 1.151 374 Y CA -0.055 58.098 58.100 0.088 0.000 1.054 374 Y CB 1.677 40.215 38.460 0.130 0.000 1.338 374 Y HN 1.172 nan 8.280 nan 0.000 0.453 375 E N 4.623 124.533 120.200 -0.483 0.000 2.412 375 E HA 0.568 4.918 4.350 -0.000 0.000 0.279 375 E C -1.869 174.533 176.600 -0.330 0.000 0.984 375 E CA -1.231 55.046 56.400 -0.205 0.000 0.788 375 E CB 2.234 31.877 29.700 -0.095 0.000 1.277 375 E HN 0.376 nan 8.360 nan 0.000 0.455 376 M N 2.241 121.792 119.600 -0.083 0.000 2.364 376 M HA 0.528 5.008 4.480 -0.000 0.000 0.334 376 M C -0.981 175.471 176.300 0.253 0.000 1.107 376 M CA -0.719 54.575 55.300 -0.010 0.000 0.988 376 M CB 1.029 33.560 32.600 -0.114 0.000 1.673 376 M HN 0.623 nan 8.290 nan 0.000 0.441 377 L N 1.818 123.168 121.223 0.211 0.000 2.422 377 L HA 0.520 4.860 4.340 -0.000 0.000 0.264 377 L C -0.112 176.549 176.870 -0.348 0.000 0.984 377 L CA -0.746 54.085 54.840 -0.016 0.000 0.819 377 L CB 2.772 44.779 42.059 -0.086 0.000 1.330 377 L HN 0.591 nan 8.230 nan 0.000 0.410 378 K N 2.061 121.974 120.400 -0.811 0.000 2.285 378 K HA 0.471 4.791 4.320 -0.000 0.000 0.286 378 K C -1.081 175.238 176.600 -0.468 0.000 1.072 378 K CA -0.263 55.385 56.287 -1.065 0.000 0.913 378 K CB 0.970 32.840 32.500 -1.049 0.000 1.067 378 K HN 0.374 nan 8.250 nan 0.000 0.479 379 V N 7.569 127.287 119.914 -0.327 0.000 2.405 379 V HA 0.170 4.290 4.120 -0.000 0.000 0.253 379 V C -2.208 173.810 176.094 -0.127 0.000 0.963 379 V CA -1.569 60.623 62.300 -0.181 0.000 1.003 379 V CB 0.726 32.468 31.823 -0.136 0.000 1.251 379 V HN 0.803 nan 8.190 nan 0.000 0.520 380 P HA 0.001 nan 4.420 nan 0.000 0.258 380 P C 0.328 177.609 177.300 -0.032 0.000 1.172 380 P CA 0.912 63.974 63.100 -0.065 0.000 0.762 380 P CB 0.190 31.857 31.700 -0.056 0.000 0.764 381 N N 1.183 119.878 118.700 -0.009 0.000 2.850 381 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 381 N C 1.156 176.669 175.510 0.004 0.000 1.060 381 N CA 0.954 54.009 53.050 0.007 0.000 0.825 381 N CB -1.736 36.755 38.487 0.006 0.000 1.132 381 N HN 0.520 nan 8.380 nan 0.000 0.564 382 A N 0.091 122.907 122.820 -0.008 0.000 2.093 382 A HA -0.185 4.135 4.320 -0.000 0.000 0.222 382 A C 1.972 179.562 177.584 0.009 0.000 1.162 382 A CA 1.563 53.594 52.037 -0.009 0.000 0.655 382 A CB -0.305 18.679 19.000 -0.027 0.000 0.805 382 A HN 0.450 nan 8.150 nan 0.000 0.461 383 L N -0.080 121.157 121.223 0.023 0.000 2.217 383 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 383 L C 2.325 179.215 176.870 0.032 0.000 1.107 383 L CA 2.592 57.452 54.840 0.032 0.000 0.783 383 L CB -0.814 41.269 42.059 0.040 0.000 0.919 383 L HN 0.687 nan 8.230 nan 0.000 0.442 384 T N -5.077 109.493 114.554 0.026 0.000 3.026 384 T HA 0.039 4.389 4.350 -0.000 0.000 0.245 384 T C 0.804 175.515 174.700 0.018 0.000 1.004 384 T CA -0.375 61.739 62.100 0.024 0.000 1.069 384 T CB 0.127 69.008 68.868 0.022 0.000 1.005 384 T HN 0.080 nan 8.240 nan 0.000 0.472 385 D N 2.231 122.638 120.400 0.011 0.000 2.317 385 D HA 0.123 4.763 4.640 -0.000 0.000 0.252 385 D C 0.403 176.706 176.300 0.004 0.000 1.174 385 D CA -0.103 53.900 54.000 0.005 0.000 0.866 385 D CB 1.272 42.071 40.800 -0.002 0.000 1.127 385 D HN 0.062 nan 8.370 nan 0.000 0.467 386 D N 2.946 123.350 120.400 0.008 0.000 2.178 386 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 386 D C 0.294 176.594 176.300 0.000 0.000 0.974 386 D CA 0.971 54.977 54.000 0.011 0.000 0.841 386 D CB 0.373 41.182 40.800 0.015 0.000 0.953 386 D HN 0.536 nan 8.370 nan 0.000 0.478 387 K N 0.019 120.414 120.400 -0.008 0.000 3.163 387 K HA 0.377 4.696 4.320 -0.000 0.000 0.186 387 K C -0.661 175.923 176.600 -0.027 0.000 1.111 387 K CA -0.497 55.780 56.287 -0.018 0.000 0.918 387 K CB 0.885 33.378 32.500 -0.012 0.000 1.059 387 K HN -0.270 nan 8.250 nan 0.000 0.558 388 S N 1.588 117.268 115.700 -0.033 0.000 2.452 388 S HA 0.378 4.848 4.470 -0.000 0.000 0.284 388 S C -0.480 174.085 174.600 -0.058 0.000 1.171 388 S CA -0.588 57.587 58.200 -0.043 0.000 1.064 388 S CB 0.700 63.877 63.200 -0.039 0.000 0.967 388 S HN 0.361 nan 8.310 nan 0.000 0.484 389 R N 2.865 123.329 120.500 -0.060 0.000 2.807 389 R HA 0.572 4.912 4.340 -0.000 0.000 0.276 389 R C -2.806 173.447 176.300 -0.079 0.000 0.979 389 R CA -2.069 53.991 56.100 -0.067 0.000 0.928 389 R CB 0.847 31.115 30.300 -0.054 0.000 1.191 389 R HN 0.308 nan 8.270 nan 0.000 0.471 390 P HA 0.075 nan 4.420 nan 0.000 0.271 390 P C -0.161 177.079 177.300 -0.099 0.000 1.226 390 P CA -0.044 62.987 63.100 -0.114 0.000 0.765 390 P CB 1.019 32.652 31.700 -0.112 0.000 0.835 391 T N -0.197 114.282 114.554 -0.125 0.000 3.081 391 T HA 0.060 4.410 4.350 -0.000 0.000 0.255 391 T C 0.702 175.361 174.700 -0.068 0.000 1.113 391 T CA 0.424 62.472 62.100 -0.086 0.000 1.082 391 T CB 0.346 69.166 68.868 -0.080 0.000 0.939 391 T HN 0.509 nan 8.240 nan 0.000 0.506 395 Q N -0.286 119.736 119.800 0.370 0.000 2.429 395 Q HA 0.417 4.756 4.340 -0.000 0.000 0.247 395 Q C -1.360 174.784 176.000 0.239 0.000 0.915 395 Q CA -0.454 55.541 55.803 0.319 0.000 0.971 395 Q CB 1.824 30.782 28.738 0.365 0.000 1.468 395 Q HN 0.636 nan 8.270 nan 0.000 0.439 396 T N 4.150 118.833 114.554 0.214 0.000 2.806 396 T HA 0.336 4.686 4.350 -0.000 0.000 0.290 396 T C 0.791 175.646 174.700 0.258 0.000 0.966 396 T CA -0.229 61.985 62.100 0.190 0.000 1.060 396 T CB 0.743 69.701 68.868 0.151 0.000 0.927 396 T HN 0.453 nan 8.240 nan 0.000 0.485 397 I N 2.649 123.395 120.570 0.294 0.000 2.947 397 I HA 0.172 4.342 4.170 -0.000 0.000 0.263 397 I C 0.329 176.647 176.117 0.335 0.000 1.130 397 I CA 0.657 62.186 61.300 0.382 0.000 1.448 397 I CB 0.366 38.650 38.000 0.473 0.000 1.222 397 I HN 0.362 nan 8.210 nan 0.000 0.453 398 V N 1.945 122.031 119.914 0.288 0.000 2.735 398 V HA 0.392 4.512 4.120 -0.000 0.000 0.310 398 V C -0.133 176.042 176.094 0.134 0.000 1.061 398 V CA -1.021 61.402 62.300 0.204 0.000 0.913 398 V CB 2.288 34.248 31.823 0.229 0.000 1.005 398 V HN -0.006 nan 8.190 nan 0.000 0.428 399 L N 3.530 124.792 121.223 0.064 0.000 2.453 399 L HA 0.278 4.618 4.340 -0.000 0.000 0.261 399 L C 1.722 178.586 176.870 -0.009 0.000 1.179 399 L CA -0.406 54.447 54.840 0.022 0.000 0.813 399 L CB 0.576 42.626 42.059 -0.014 0.000 1.110 399 L HN 0.889 nan 8.230 nan 0.000 0.466 400 N N -0.531 118.153 118.700 -0.027 0.000 2.520 400 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 400 N C 1.185 176.600 175.510 -0.159 0.000 1.068 400 N CA 0.983 53.997 53.050 -0.060 0.000 0.911 400 N CB -0.225 38.235 38.487 -0.046 0.000 0.961 400 N HN 0.599 nan 8.380 nan 0.000 0.446 401 T N 0.403 114.856 114.554 -0.168 0.000 3.067 401 T HA 0.005 4.354 4.350 -0.000 0.000 0.261 401 T C -0.227 174.239 174.700 -0.391 0.000 1.110 401 T CA 0.397 62.343 62.100 -0.257 0.000 1.113 401 T CB -0.005 68.774 68.868 -0.150 0.000 0.917 401 T HN 0.292 nan 8.240 nan 0.000 0.499 402 D N 0.297 120.531 120.400 -0.277 0.000 2.308 402 D HA 0.189 4.829 4.640 -0.000 0.000 0.242 402 D C -0.757 175.454 176.300 -0.149 0.000 1.059 402 D CA -0.485 53.367 54.000 -0.247 0.000 0.830 402 D CB 1.037 41.794 40.800 -0.072 0.000 1.161 402 D HN 0.344 nan 8.370 nan 0.000 0.494 403 W N 1.708 123.040 121.300 0.054 0.000 2.181 403 W HA 0.116 4.776 4.660 -0.000 0.000 0.335 403 W C 1.509 178.076 176.519 0.080 0.000 1.310 403 W CA -0.314 57.067 57.345 0.060 0.000 1.226 403 W CB 0.574 30.057 29.460 0.038 0.000 1.155 403 W HN 0.315 nan 8.180 nan 0.000 0.565 404 S N 1.692 117.599 115.700 0.345 0.000 4.302 404 S HA 0.975 5.445 4.470 -0.000 0.000 0.218 404 S C 0.295 175.025 174.600 0.218 0.000 1.068 404 S CA -0.124 58.222 58.200 0.244 0.000 1.744 404 S CB 1.164 64.522 63.200 0.263 0.000 0.931 404 S HN 1.009 nan 8.310 nan 0.000 0.734 405 G N -0.666 108.262 108.800 0.213 0.000 2.398 405 G HA2 0.299 4.258 3.960 -0.000 0.000 0.251 405 G HA3 0.299 4.258 3.960 -0.000 0.000 0.251 405 G C -1.792 173.296 174.900 0.313 0.000 1.277 405 G CA -0.822 44.401 45.100 0.206 0.000 0.927 405 G HN 0.529 nan 8.290 nan 0.000 0.477 406 Y N 1.778 122.161 120.300 0.137 0.000 2.597 406 Y HA 0.475 5.025 4.550 -0.000 0.000 0.336 406 Y C 1.426 177.401 175.900 0.125 0.000 1.216 406 Y CA -0.334 57.857 58.100 0.153 0.000 1.463 406 Y CB 0.756 39.330 38.460 0.190 0.000 1.303 406 Y HN 0.729 nan 8.280 nan 0.000 0.576 407 S N 0.738 116.542 115.700 0.172 0.000 2.677 407 S HA 1.009 5.479 4.470 -0.000 0.000 0.304 407 S C -0.069 174.391 174.600 -0.232 0.000 1.108 407 S CA -0.328 57.830 58.200 -0.069 0.000 0.944 407 S CB 2.546 65.794 63.200 0.081 0.000 1.127 407 S HN 1.021 nan 8.310 nan 0.000 0.511 408 G N 0.085 108.464 108.800 -0.702 0.000 2.466 408 G HA2 0.534 4.494 3.960 -0.000 0.000 0.291 408 G HA3 0.534 4.494 3.960 -0.000 0.000 0.291 408 G C -1.259 173.337 174.900 -0.506 0.000 1.460 408 G CA -0.382 44.468 45.100 -0.417 0.000 0.791 408 G HN 1.317 nan 8.290 nan 0.000 0.505 409 S N -0.916 114.736 115.700 -0.079 0.000 2.537 409 S HA 0.910 5.380 4.470 -0.000 0.000 0.301 409 S C -0.654 174.120 174.600 0.291 0.000 1.092 409 S CA -0.696 57.496 58.200 -0.013 0.000 1.048 409 S CB 1.686 64.823 63.200 -0.107 0.000 1.053 409 S HN 1.828 nan 8.310 nan 0.000 0.501 410 F N -0.280 119.759 119.950 0.148 0.000 2.685 410 F HA 0.890 5.417 4.527 -0.000 0.000 0.315 410 F C -0.672 175.201 175.800 0.121 0.000 1.126 410 F CA -1.206 56.886 58.000 0.155 0.000 0.950 410 F CB 1.386 40.488 39.000 0.170 0.000 1.360 410 F HN 0.774 nan 8.300 nan 0.000 0.469 411 M N -0.355 119.273 119.600 0.046 0.000 2.492 411 M HA 0.297 4.777 4.480 -0.000 0.000 0.526 411 M C -1.123 175.205 176.300 0.047 0.000 2.145 411 M CA -0.084 55.134 55.300 -0.138 0.000 0.677 411 M CB 0.822 33.371 32.600 -0.085 0.000 3.933 411 M HN 0.735 nan 8.290 nan 0.000 0.554 412 W N 0.490 121.852 121.300 0.103 0.000 3.650 412 W HA -0.246 4.414 4.660 -0.000 0.000 0.286 412 W C 0.086 176.659 176.519 0.089 0.000 1.051 412 W CA 0.946 58.347 57.345 0.092 0.000 0.658 412 W CB -2.385 27.104 29.460 0.049 0.000 2.073 412 W HN 0.716 nan 8.180 nan 0.000 1.571 413 A N 1.184 124.154 122.820 0.251 0.000 2.425 413 A HA 0.326 4.645 4.320 -0.000 0.000 0.249 413 A C 0.739 178.398 177.584 0.126 0.000 1.084 413 A CA 0.019 52.161 52.037 0.174 0.000 0.781 413 A CB 0.313 19.403 19.000 0.150 0.000 1.019 413 A HN 0.068 nan 8.150 nan 0.000 0.490 414 E N 0.529 120.784 120.200 0.091 0.000 2.324 414 E HA 0.459 4.809 4.350 -0.000 0.000 0.271 414 E C 0.494 177.110 176.600 0.026 0.000 1.028 414 E CA 0.930 57.365 56.400 0.058 0.000 0.890 414 E CB 1.012 30.740 29.700 0.047 0.000 1.004 414 E HN 0.950 nan 8.360 nan 0.000 0.431 415 G N 1.978 110.777 108.800 -0.001 0.000 2.340 415 G HA2 0.125 4.085 3.960 -0.000 0.000 0.299 415 G HA3 0.125 4.085 3.960 -0.000 0.000 0.299 415 G C 0.028 174.882 174.900 -0.076 0.000 1.291 415 G CA -0.259 44.819 45.100 -0.037 0.000 0.841 415 G HN 0.396 nan 8.290 nan 0.000 0.500 416 E N -2.005 118.133 120.200 -0.103 0.000 2.364 416 E HA 0.217 4.567 4.350 -0.000 0.000 0.203 416 E C 0.895 177.366 176.600 -0.214 0.000 0.888 416 E CA 0.743 57.066 56.400 -0.128 0.000 0.989 416 E CB 0.730 30.379 29.700 -0.086 0.000 0.985 416 E HN 0.875 nan 8.360 nan 0.000 0.499 417 c N -0.068 118.392 118.600 -0.234 0.000 2.797 417 c HA 0.710 5.279 4.570 -0.000 0.000 0.306 417 c C -0.650 173.271 174.090 -0.282 0.000 1.207 417 c CA -1.380 54.773 56.329 -0.294 0.000 1.507 417 c CB 0.172 42.588 42.510 -0.156 0.000 2.028 417 c HN 0.161 nan 8.230 nan 0.000 0.475 418 Y N 0.462 120.732 120.300 -0.050 0.000 2.301 418 Y HA 0.563 5.113 4.550 -0.000 0.000 0.328 418 Y C 0.962 176.774 175.900 -0.145 0.000 1.242 418 Y CA -0.212 57.843 58.100 -0.076 0.000 1.323 418 Y CB 0.568 39.003 38.460 -0.041 0.000 1.266 418 Y HN 0.781 nan 8.280 nan 0.000 0.527 419 R N 1.709 122.214 120.500 0.010 0.000 2.229 419 R HA 0.668 5.008 4.340 -0.000 0.000 0.332 419 R C -0.816 175.307 176.300 -0.296 0.000 0.989 419 R CA -0.603 55.395 56.100 -0.169 0.000 0.842 419 R CB 0.394 30.616 30.300 -0.129 0.000 1.119 419 R HN 0.841 nan 8.270 nan 0.000 0.456 420 A N 4.724 127.256 122.820 -0.481 0.000 2.476 420 A HA 0.220 4.540 4.320 -0.000 0.000 0.275 420 A C -0.311 176.988 177.584 -0.476 0.000 1.133 420 A CA -0.318 51.276 52.037 -0.738 0.000 0.797 420 A CB -0.251 17.950 19.000 -1.331 0.000 1.081 420 A HN 0.838 nan 8.150 nan 0.000 0.510 421 c N 1.979 120.291 118.600 -0.480 0.000 2.486 421 c HA 0.951 5.521 4.570 -0.000 0.000 0.348 421 c C -0.210 173.681 174.090 -0.331 0.000 1.203 421 c CA -0.457 55.505 56.329 -0.610 0.000 1.911 421 c CB 0.717 42.326 42.510 -1.500 0.000 2.340 421 c HN 0.911 nan 8.230 nan 0.000 0.511 422 F N -0.287 119.473 119.950 -0.318 0.000 2.711 422 F HA 0.793 5.320 4.527 -0.000 0.000 0.313 422 F C -1.196 174.559 175.800 -0.075 0.000 1.141 422 F CA -1.351 56.412 58.000 -0.394 0.000 0.941 422 F CB 0.839 39.200 39.000 -1.064 0.000 1.349 422 F HN 0.688 nan 8.300 nan 0.000 0.464 423 Y N -0.554 119.827 120.300 0.135 0.000 2.602 423 Y HA 0.895 5.445 4.550 -0.000 0.000 0.342 423 Y C -1.927 174.005 175.900 0.053 0.000 1.029 423 Y CA -2.046 56.077 58.100 0.039 0.000 1.080 423 Y CB 1.634 40.098 38.460 0.007 0.000 1.284 423 Y HN 0.582 nan 8.280 nan 0.000 0.485 424 V N 1.778 121.749 119.914 0.094 0.000 2.577 424 V HA 0.271 4.391 4.120 -0.000 0.000 0.303 424 V C -0.552 175.607 176.094 0.109 0.000 1.042 424 V CA -1.021 61.254 62.300 -0.042 0.000 0.872 424 V CB 1.481 33.127 31.823 -0.295 0.000 0.998 424 V HN 0.893 nan 8.190 nan 0.000 0.423 425 E N 4.809 125.120 120.200 0.184 0.000 2.290 425 E HA 0.317 4.667 4.350 -0.000 0.000 0.277 425 E C -1.082 175.584 176.600 0.110 0.000 1.035 425 E CA -0.438 56.052 56.400 0.149 0.000 0.873 425 E CB 0.778 30.586 29.700 0.180 0.000 1.029 425 E HN 0.641 nan 8.360 nan 0.000 0.419 426 L N 6.926 128.208 121.223 0.098 0.000 2.314 426 L HA 0.308 4.648 4.340 -0.000 0.000 0.275 426 L C 0.447 177.396 176.870 0.132 0.000 1.068 426 L CA -0.635 54.281 54.840 0.127 0.000 0.894 426 L CB 0.393 42.525 42.059 0.122 0.000 1.275 426 L HN 0.573 nan 8.230 nan 0.000 0.432 427 I N 3.030 123.677 120.570 0.128 0.000 2.836 427 I HA 0.166 4.336 4.170 -0.000 0.000 0.285 427 I C 0.087 176.264 176.117 0.100 0.000 1.174 427 I CA 0.229 61.579 61.300 0.084 0.000 1.405 427 I CB 1.136 39.150 38.000 0.023 0.000 1.385 427 I HN 0.645 nan 8.210 nan 0.000 0.594 428 R N 3.292 123.838 120.500 0.076 0.000 2.585 428 R HA 0.550 4.890 4.340 -0.000 0.000 0.288 428 R C -0.574 175.707 176.300 -0.032 0.000 1.194 428 R CA 0.368 56.513 56.100 0.074 0.000 1.006 428 R CB 0.955 31.374 30.300 0.199 0.000 1.229 428 R HN 0.967 nan 8.270 nan 0.000 0.412 429 G N 2.503 111.153 108.800 -0.250 0.000 2.225 429 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.203 429 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.203 429 G C -1.321 173.350 174.900 -0.382 0.000 1.335 429 G CA -0.998 43.837 45.100 -0.441 0.000 1.183 429 G HN 0.479 nan 8.290 nan 0.000 0.488 430 R N 1.190 121.489 120.500 -0.335 0.000 2.438 430 R HA 0.393 4.733 4.340 -0.000 0.000 0.287 430 R C -1.658 174.496 176.300 -0.243 0.000 1.077 430 R CA -0.841 55.077 56.100 -0.303 0.000 1.034 430 R CB 1.238 31.369 30.300 -0.282 0.000 0.993 430 R HN 0.221 nan 8.270 nan 0.000 0.459 431 P HA 0.023 nan 4.420 nan 0.000 0.234 431 P C 0.498 177.603 177.300 -0.324 0.000 1.175 431 P CA 0.463 63.404 63.100 -0.264 0.000 0.801 431 P CB 0.449 32.031 31.700 -0.197 0.000 0.891 432 K N 0.371 120.495 120.400 -0.460 0.000 2.148 432 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 432 K C 0.481 176.842 176.600 -0.398 0.000 1.050 432 K CA 1.059 56.989 56.287 -0.595 0.000 0.942 432 K CB -0.255 31.445 32.500 -1.334 0.000 0.724 432 K HN 0.366 nan 8.250 nan 0.000 0.446 433 E N 1.399 121.380 120.200 -0.365 0.000 2.546 433 E HA 0.016 4.366 4.350 -0.000 0.000 0.227 433 E C -0.421 175.997 176.600 -0.302 0.000 1.009 433 E CA -0.233 56.019 56.400 -0.247 0.000 0.813 433 E CB 0.654 30.222 29.700 -0.220 0.000 1.269 433 E HN 0.170 nan 8.360 nan 0.000 0.432 434 D N 1.796 122.035 120.400 -0.270 0.000 2.403 434 D HA -0.202 4.438 4.640 -0.000 0.000 0.227 434 D C 1.099 177.193 176.300 -0.344 0.000 0.995 434 D CA 0.600 54.400 54.000 -0.334 0.000 0.928 434 D CB 0.273 40.911 40.800 -0.271 0.000 0.887 434 D HN 0.148 nan 8.370 nan 0.000 0.529 435 K N 0.730 120.976 120.400 -0.258 0.000 2.458 435 K HA 0.081 4.401 4.320 -0.000 0.000 0.194 435 K C 0.366 176.851 176.600 -0.191 0.000 1.024 435 K CA -0.090 56.089 56.287 -0.180 0.000 1.108 435 K CB -0.166 32.275 32.500 -0.098 0.000 0.846 435 K HN 0.317 nan 8.250 nan 0.000 0.518 436 V N -3.536 116.161 119.914 -0.362 0.000 2.735 436 V HA 0.425 4.545 4.120 -0.000 0.000 0.310 436 V C -0.473 175.359 176.094 -0.437 0.000 1.061 436 V CA -1.196 60.859 62.300 -0.409 0.000 0.913 436 V CB 1.390 32.616 31.823 -0.995 0.000 1.005 436 V HN 0.148 nan 8.190 nan 0.000 0.428 437 W N 3.342 124.529 121.300 -0.187 0.000 3.405 437 W HA 0.369 5.029 4.660 -0.000 0.000 0.300 437 W C 0.591 177.116 176.519 0.011 0.000 1.286 437 W CA -0.390 56.907 57.345 -0.081 0.000 1.762 437 W CB 0.224 29.675 29.460 -0.015 0.000 1.087 437 W HN 0.817 nan 8.180 nan 0.000 0.703 438 W N -1.019 120.314 121.300 0.055 0.000 2.869 438 W HA 0.805 5.465 4.660 -0.000 0.000 0.345 438 W C -0.839 175.654 176.519 -0.043 0.000 1.191 438 W CA -1.125 56.230 57.345 0.016 0.000 1.104 438 W CB 0.491 29.966 29.460 0.026 0.000 1.471 438 W HN -0.521 nan 8.180 nan 0.000 0.612 439 T N 1.214 116.022 114.554 0.423 0.000 3.071 439 T HA 0.457 4.806 4.350 -0.000 0.000 0.311 439 T C -0.747 174.168 174.700 0.358 0.000 1.042 439 T CA -0.211 62.041 62.100 0.253 0.000 1.028 439 T CB 1.918 70.826 68.868 0.066 0.000 1.068 439 T HN 0.455 nan 8.240 nan 0.000 0.451 440 S N 2.602 118.528 115.700 0.377 0.000 2.843 440 S HA 0.787 5.257 4.470 -0.000 0.000 0.301 440 S C -1.179 173.513 174.600 0.154 0.000 1.206 440 S CA -1.087 57.229 58.200 0.193 0.000 0.875 440 S CB 1.696 64.936 63.200 0.066 0.000 1.248 440 S HN 0.929 nan 8.310 nan 0.000 0.555 441 N N -0.352 118.404 118.700 0.094 0.000 3.308 441 N HA 0.511 5.251 4.740 -0.000 0.000 0.276 441 N C -1.153 174.399 175.510 0.070 0.000 1.533 441 N CA -0.406 52.698 53.050 0.089 0.000 0.878 441 N CB 1.425 39.951 38.487 0.065 0.000 1.566 441 N HN 0.599 nan 8.380 nan 0.000 0.546 442 S N -0.953 114.792 115.700 0.076 0.000 2.841 442 S HA 0.862 5.332 4.470 -0.000 0.000 0.318 442 S C -1.077 173.545 174.600 0.036 0.000 1.127 442 S CA -0.799 57.443 58.200 0.069 0.000 0.883 442 S CB 0.922 64.175 63.200 0.088 0.000 1.271 442 S HN 0.504 nan 8.310 nan 0.000 0.567 443 I N 0.645 121.210 120.570 -0.008 0.000 2.994 443 I HA 0.701 4.871 4.170 -0.000 0.000 0.306 443 I C -1.312 174.768 176.117 -0.062 0.000 1.195 443 I CA -1.067 60.158 61.300 -0.125 0.000 1.001 443 I CB 2.104 39.785 38.000 -0.532 0.000 1.244 443 I HN 0.428 nan 8.210 nan 0.000 0.437 444 V N 2.840 122.718 119.914 -0.060 0.000 2.851 444 V HA 0.723 4.843 4.120 -0.000 0.000 0.307 444 V C -0.859 175.187 176.094 -0.081 0.000 1.129 444 V CA -0.020 62.244 62.300 -0.060 0.000 0.932 444 V CB 2.380 34.168 31.823 -0.058 0.000 1.024 444 V HN 0.969 nan 8.190 nan 0.000 0.426 445 S N 5.860 121.521 115.700 -0.064 0.000 2.627 445 S HA 0.958 5.428 4.470 -0.000 0.000 0.283 445 S C -0.891 173.580 174.600 -0.215 0.000 1.127 445 S CA -0.861 57.302 58.200 -0.062 0.000 0.863 445 S CB 2.288 65.693 63.200 0.342 0.000 1.121 445 S HN 0.900 nan 8.310 nan 0.000 0.479 446 M N 0.926 120.249 119.600 -0.462 0.000 2.413 446 M HA 0.655 5.135 4.480 -0.000 0.000 0.287 446 M C -2.004 174.090 176.300 -0.342 0.000 1.186 446 M CA 0.105 55.130 55.300 -0.457 0.000 0.927 446 M CB 1.982 34.107 32.600 -0.790 0.000 1.715 446 M HN 1.023 nan 8.290 nan 0.000 0.478 447 c N 0.602 118.928 118.600 -0.456 0.000 2.779 447 c HA 0.857 5.427 4.570 -0.000 0.000 0.314 447 c C -0.037 173.616 174.090 -0.728 0.000 1.231 447 c CA -0.958 55.054 56.329 -0.529 0.000 1.652 447 c CB 2.024 44.208 42.510 -0.544 0.000 2.198 447 c HN 0.964 nan 8.230 nan 0.000 0.483 448 S N 1.688 116.905 115.700 -0.805 0.000 2.569 448 S HA 0.483 4.953 4.470 -0.000 0.000 0.274 448 S C -0.225 174.108 174.600 -0.446 0.000 1.353 448 S CA -0.286 57.322 58.200 -0.988 0.000 1.023 448 S CB 0.200 62.871 63.200 -0.881 0.000 0.876 448 S HN 0.826 nan 8.310 nan 0.000 0.540 449 S N 0.121 115.540 115.700 -0.468 0.000 2.569 449 S HA 0.534 5.004 4.470 -0.000 0.000 0.280 449 S C 0.667 175.077 174.600 -0.317 0.000 1.111 449 S CA -0.857 57.194 58.200 -0.248 0.000 0.887 449 S CB 1.839 64.953 63.200 -0.144 0.000 1.095 449 S HN 0.804 nan 8.310 nan 0.000 0.476 450 T N -0.311 114.106 114.554 -0.228 0.000 3.051 450 T HA 0.160 4.510 4.350 -0.000 0.000 0.255 450 T C 0.428 174.992 174.700 -0.227 0.000 1.085 450 T CA 0.338 62.313 62.100 -0.208 0.000 1.109 450 T CB 0.013 68.810 68.868 -0.119 0.000 0.921 450 T HN 0.418 nan 8.240 nan 0.000 0.488 451 E N 0.987 121.079 120.200 -0.179 0.000 2.314 451 E HA 0.329 4.678 4.350 -0.000 0.000 0.262 451 E C -1.013 175.468 176.600 -0.198 0.000 1.093 451 E CA -0.532 55.824 56.400 -0.075 0.000 0.908 451 E CB 0.666 30.365 29.700 -0.001 0.000 1.091 451 E HN 0.269 nan 8.360 nan 0.000 0.425 452 F N 1.574 121.553 119.950 0.047 0.000 2.509 452 F HA 0.210 4.737 4.527 -0.000 0.000 0.344 452 F C 0.499 176.349 175.800 0.083 0.000 1.197 452 F CA -0.264 57.782 58.000 0.076 0.000 1.294 452 F CB -0.108 38.940 39.000 0.080 0.000 1.643 452 F HN 0.029 nan 8.300 nan 0.000 0.596 453 L N 1.185 122.491 121.223 0.139 0.000 2.483 453 L HA 0.221 4.561 4.340 -0.000 0.000 0.275 453 L C 1.249 178.224 176.870 0.175 0.000 1.220 453 L CA -0.275 54.651 54.840 0.142 0.000 0.833 453 L CB 0.212 42.348 42.059 0.128 0.000 1.102 453 L HN 0.491 nan 8.230 nan 0.000 0.490 454 G N 1.344 110.232 108.800 0.147 0.000 2.527 454 G HA2 0.176 4.136 3.960 -0.000 0.000 0.248 454 G HA3 0.176 4.136 3.960 -0.000 0.000 0.248 454 G C -0.464 174.549 174.900 0.187 0.000 1.231 454 G CA -0.343 44.841 45.100 0.141 0.000 0.838 454 G HN 0.698 nan 8.290 nan 0.000 0.570 455 Q N -0.194 119.728 119.800 0.203 0.000 2.306 455 Q HA 0.378 4.718 4.340 -0.000 0.000 0.241 455 Q C -1.043 175.136 176.000 0.299 0.000 0.948 455 Q CA -0.636 55.329 55.803 0.271 0.000 0.886 455 Q CB 1.027 29.912 28.738 0.246 0.000 1.227 455 Q HN 0.548 nan 8.270 nan 0.000 0.457 456 W N 1.946 123.335 121.300 0.149 0.000 3.098 456 W HA 0.409 5.069 4.660 -0.000 0.000 0.367 456 W C -1.404 175.077 176.519 -0.064 0.000 1.163 456 W CA -1.035 56.284 57.345 -0.043 0.000 1.113 456 W CB 1.018 30.320 29.460 -0.264 0.000 1.501 456 W HN 0.867 nan 8.180 nan 0.000 0.598 457 N N 0.117 118.623 118.700 -0.322 0.000 2.240 457 N HA 0.676 5.416 4.740 -0.000 0.000 0.302 457 N C -1.550 173.602 175.510 -0.597 0.000 1.106 457 N CA -0.416 52.499 53.050 -0.225 0.000 0.778 457 N CB 2.068 40.492 38.487 -0.105 0.000 1.431 457 N HN 0.234 nan 8.380 nan 0.000 0.479 458 W N 0.000 121.225 121.300 -0.124 0.000 2.388 458 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 458 W CA 0.000 57.257 57.345 -0.147 0.000 1.226 458 W CB 0.000 29.424 29.460 -0.059 0.000 1.126 458 W HN 0.000 nan 8.180 nan 0.000 0.535