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 3no9_1_C DATA FIRST_RESID 7 DATA SEQUENCE SANYRIEHDT MGEVRVPAKA LWRAQTQRAV ENFPISGRGL ERTQIRALGL DATA SEQUENCE LKGACAQVNS DLGLLAPEKA DAIIAAAAEI ADGQHDDQFP IDVFQTGSGT DATA SEQUENCE SSNMNTNEVI ASIAAKGGVT LHPNDDVNMS QSSNDTFPTA THIAATEAAV DATA SEQUENCE AHLIPALQQL HDALAAKALD WHTVVKSGRT HLMDAVPVTL GQEFSGYARQ DATA SEQUENCE IEAGIERVRA CLPRLGELAI GGTAVGTGLN APDDFGVRVV AVLVAQTGLS DATA SEQUENCE ELRTAANSFE AQAARDGLVE ASGALRTIAV SLTKIANDIR WMGSGPLTGL DATA SEQUENCE AEIQLPDLQP XXXXXXGKVN PVLPEAVTQV AAQVIGNDAA IAWGGANGAF DATA SEQUENCE ELNVYIPMMA RNILESFKLL TNVSRLFAQR CIAGLTANVE HLRRLAESSP DATA SEQUENCE SIVTPLNSAI GYEEAAAVAK QALKERKTIR QTVIDRGLIG DXLSIEDLDR DATA SEQUENCE RLDVLAMAKA 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.623 174.600 0.038 0.000 1.055 7 S CA 0.000 58.228 58.200 0.047 0.000 1.107 7 S CB 0.000 63.215 63.200 0.024 0.000 0.593 8 A N 2.911 125.732 122.820 0.002 0.000 1.933 8 A HA 0.007 4.327 4.320 0.001 0.000 0.218 8 A C 1.828 179.385 177.584 -0.044 0.000 1.175 8 A CA 2.298 54.324 52.037 -0.020 0.000 0.628 8 A CB -1.188 17.793 19.000 -0.032 0.000 0.814 8 A HN 0.941 nan 8.150 nan 0.000 0.444 9 N N -2.204 116.437 118.700 -0.098 0.000 2.236 9 N HA 0.088 4.828 4.740 0.001 0.000 0.196 9 N C -0.763 174.554 175.510 -0.321 0.000 1.114 9 N CA -0.166 52.754 53.050 -0.217 0.000 0.859 9 N CB -0.198 38.107 38.487 -0.304 0.000 0.982 9 N HN 0.344 nan 8.380 nan 0.000 0.493 10 Y N 0.847 121.128 120.300 -0.032 0.000 2.377 10 Y HA 0.462 5.013 4.550 0.001 0.000 0.339 10 Y C 0.501 176.370 175.900 -0.053 0.000 1.011 10 Y CA -1.149 56.926 58.100 -0.041 0.000 1.093 10 Y CB 1.505 39.950 38.460 -0.025 0.000 1.201 10 Y HN -0.096 nan 8.280 nan 0.000 0.455 11 R N 3.166 123.728 120.500 0.104 0.000 2.536 11 R HA 0.675 5.015 4.340 0.001 0.000 0.279 11 R C -1.295 175.004 176.300 -0.003 0.000 1.001 11 R CA -0.457 55.653 56.100 0.017 0.000 1.027 11 R CB 0.775 31.047 30.300 -0.046 0.000 1.096 11 R HN 0.766 nan 8.270 nan 0.000 0.502 12 I N 2.308 122.857 120.570 -0.036 0.000 2.377 12 I HA 0.294 4.464 4.170 0.001 0.000 0.293 12 I C -0.258 175.749 176.117 -0.183 0.000 0.987 12 I CA -0.593 60.639 61.300 -0.113 0.000 1.185 12 I CB 1.986 39.916 38.000 -0.117 0.000 1.341 12 I HN 0.696 nan 8.210 nan 0.000 0.455 13 E N 3.829 123.870 120.200 -0.264 0.000 2.320 13 E HA 0.560 4.910 4.350 0.001 0.000 0.264 13 E C -1.524 174.806 176.600 -0.449 0.000 0.923 13 E CA -0.587 55.674 56.400 -0.231 0.000 0.796 13 E CB 1.856 31.509 29.700 -0.079 0.000 1.262 13 E HN 0.487 nan 8.360 nan 0.000 0.428 14 H N -0.096 118.973 119.070 -0.001 0.000 2.865 14 H HA 0.534 5.091 4.556 0.001 0.000 0.372 14 H C -0.885 174.443 175.328 0.000 0.000 1.173 14 H CA -0.762 55.285 56.048 -0.001 0.000 1.147 14 H CB 1.751 31.510 29.762 -0.005 0.000 1.805 14 H HN 0.356 nan 8.280 nan 0.000 0.553 15 D N -1.223 119.251 120.400 0.123 0.000 2.921 15 D HA 0.061 4.702 4.640 0.001 0.000 0.329 15 D C 1.078 177.413 176.300 0.058 0.000 1.293 15 D CA 0.123 54.166 54.000 0.071 0.000 0.964 15 D CB 1.093 41.918 40.800 0.041 0.000 1.435 15 D HN 0.591 nan 8.370 nan 0.000 0.548 16 T N -1.167 113.408 114.554 0.035 0.000 2.849 16 T HA -0.121 4.230 4.350 0.001 0.000 0.270 16 T C 1.848 176.561 174.700 0.022 0.000 1.066 16 T CA 1.209 63.324 62.100 0.025 0.000 1.130 16 T CB -0.092 68.786 68.868 0.018 0.000 0.864 16 T HN 0.322 nan 8.240 nan 0.000 0.481 17 M N 0.499 120.112 119.600 0.021 0.000 2.435 17 M HA 0.394 4.875 4.480 0.001 0.000 0.265 17 M C 1.639 177.951 176.300 0.020 0.000 1.104 17 M CA 0.941 56.249 55.300 0.013 0.000 1.140 17 M CB -0.456 32.145 32.600 0.002 0.000 1.372 17 M HN 0.593 nan 8.290 nan 0.000 0.456 18 G N 1.329 110.151 108.800 0.037 0.000 2.553 18 G HA2 0.030 3.990 3.960 0.001 0.000 0.106 18 G HA3 0.030 3.990 3.960 0.001 0.000 0.106 18 G C -1.567 173.366 174.900 0.056 0.000 1.126 18 G CA -0.557 44.574 45.100 0.051 0.000 1.075 18 G HN 0.399 nan 8.290 nan 0.000 0.472 19 E N 0.573 120.768 120.200 -0.008 0.000 2.155 19 E HA 0.546 4.897 4.350 0.001 0.000 0.264 19 E C 1.105 177.642 176.600 -0.106 0.000 0.886 19 E CA -0.506 55.818 56.400 -0.127 0.000 0.752 19 E CB 2.077 31.688 29.700 -0.149 0.000 1.133 19 E HN 1.011 nan 8.360 nan 0.000 0.414 20 V N 2.200 122.050 119.914 -0.106 0.000 2.358 20 V HA -0.114 4.007 4.120 0.001 0.000 0.246 20 V C 1.413 177.469 176.094 -0.063 0.000 1.047 20 V CA 1.290 63.555 62.300 -0.058 0.000 1.035 20 V CB -0.998 30.821 31.823 -0.007 0.000 0.658 20 V HN 1.064 nan 8.190 nan 0.000 0.452 21 R N 0.444 120.881 120.500 -0.104 0.000 3.261 21 R HA -0.133 4.208 4.340 0.001 0.000 0.257 21 R C -0.060 176.220 176.300 -0.033 0.000 1.014 21 R CA 0.343 56.387 56.100 -0.092 0.000 0.681 21 R CB -1.833 28.394 30.300 -0.122 0.000 1.155 21 R HN 1.065 nan 8.270 nan 0.000 0.424 22 V N -0.582 119.343 119.914 0.017 0.000 3.051 22 V HA 0.543 4.664 4.120 0.001 0.000 0.306 22 V C -1.613 174.547 176.094 0.110 0.000 1.083 22 V CA -1.157 61.190 62.300 0.078 0.000 1.104 22 V CB 0.709 32.525 31.823 -0.012 0.000 1.027 22 V HN 0.266 nan 8.190 nan 0.000 0.483 23 P HA 0.175 nan 4.420 nan 0.000 0.271 23 P C 0.472 177.690 177.300 -0.138 0.000 1.216 23 P CA 0.367 63.538 63.100 0.118 0.000 0.776 23 P CB 1.306 33.058 31.700 0.087 0.000 0.881 24 A N 4.574 127.309 122.820 -0.142 0.000 1.933 24 A HA -0.198 4.123 4.320 0.001 0.000 0.218 24 A C 1.614 179.098 177.584 -0.167 0.000 1.175 24 A CA 1.793 53.753 52.037 -0.129 0.000 0.628 24 A CB -0.900 18.035 19.000 -0.108 0.000 0.814 24 A HN 0.586 nan 8.150 nan 0.000 0.444 25 K N 0.358 120.650 120.400 -0.180 0.000 2.522 25 K HA 0.484 4.805 4.320 0.001 0.000 0.194 25 K C 0.332 176.781 176.600 -0.251 0.000 1.026 25 K CA 0.641 56.830 56.287 -0.163 0.000 1.119 25 K CB -0.758 31.678 32.500 -0.108 0.000 0.856 25 K HN 0.251 nan 8.250 nan 0.000 0.513 26 A N 0.983 123.541 122.820 -0.436 0.000 2.328 26 A HA 0.406 4.727 4.320 0.001 0.000 0.284 26 A C 0.375 177.631 177.584 -0.546 0.000 1.160 26 A CA -0.670 50.895 52.037 -0.786 0.000 0.818 26 A CB 0.146 18.142 19.000 -1.674 0.000 1.087 26 A HN 0.394 nan 8.150 nan 0.000 0.504 27 L N 0.956 121.958 121.223 -0.368 0.000 2.592 27 L HA 0.130 4.471 4.340 0.001 0.000 0.227 27 L C 0.695 177.489 176.870 -0.127 0.000 1.127 27 L CA -0.348 54.369 54.840 -0.206 0.000 0.884 27 L CB -0.339 41.637 42.059 -0.139 0.000 1.065 27 L HN 0.927 nan 8.230 nan 0.000 0.457 28 W N 0.777 122.001 121.300 -0.127 0.000 2.141 28 W HA 0.600 5.261 4.660 0.001 0.000 0.354 28 W C 0.202 176.674 176.519 -0.078 0.000 1.297 28 W CA -1.111 56.156 57.345 -0.130 0.000 1.380 28 W CB 0.315 29.688 29.460 -0.146 0.000 1.168 28 W HN -0.242 nan 8.180 nan 0.000 0.639 29 R N 0.329 120.997 120.500 0.280 0.000 3.045 29 R HA 0.619 4.959 4.340 0.001 0.000 0.245 29 R C 1.407 177.833 176.300 0.210 0.000 1.333 29 R CA -0.503 55.687 56.100 0.150 0.000 1.036 29 R CB 0.624 30.957 30.300 0.054 0.000 1.340 29 R HN 0.611 nan 8.270 nan 0.000 0.488 30 A N 0.863 123.748 122.820 0.108 0.000 1.881 30 A HA -0.283 4.038 4.320 0.001 0.000 0.219 30 A C 1.901 179.532 177.584 0.078 0.000 1.215 30 A CA 1.763 53.852 52.037 0.087 0.000 0.648 30 A CB -0.711 18.318 19.000 0.047 0.000 0.832 30 A HN 0.603 nan 8.150 nan 0.000 0.455 31 Q N -0.892 118.943 119.800 0.058 0.000 2.077 31 Q HA -0.174 4.166 4.340 0.001 0.000 0.206 31 Q C 2.281 178.297 176.000 0.026 0.000 0.989 31 Q CA 2.226 58.051 55.803 0.038 0.000 0.853 31 Q CB -1.225 27.534 28.738 0.034 0.000 0.907 31 Q HN 0.731 nan 8.270 nan 0.000 0.418 32 T N 1.078 115.651 114.554 0.032 0.000 2.708 32 T HA -0.185 4.166 4.350 0.001 0.000 0.266 32 T C 1.872 176.486 174.700 -0.144 0.000 1.037 32 T CA 1.617 63.664 62.100 -0.088 0.000 1.146 32 T CB -0.157 68.606 68.868 -0.175 0.000 0.865 32 T HN 0.214 nan 8.240 nan 0.000 0.435 33 Q N 0.777 120.589 119.800 0.020 0.000 2.124 33 Q HA -0.060 4.281 4.340 0.001 0.000 0.202 33 Q C 2.379 178.382 176.000 0.004 0.000 0.977 33 Q CA 1.325 57.170 55.803 0.070 0.000 0.850 33 Q CB -0.050 28.835 28.738 0.246 0.000 0.901 33 Q HN 0.204 nan 8.270 nan 0.000 0.429 34 R N -0.189 120.310 120.500 -0.002 0.000 2.070 34 R HA -0.050 4.290 4.340 0.001 0.000 0.233 34 R C 2.174 178.430 176.300 -0.074 0.000 1.137 34 R CA 1.390 57.467 56.100 -0.038 0.000 0.945 34 R CB -1.308 28.973 30.300 -0.030 0.000 0.845 34 R HN 0.391 nan 8.270 nan 0.000 0.430 35 A N 0.802 123.601 122.820 -0.035 0.000 1.978 35 A HA -0.126 4.194 4.320 0.001 0.000 0.220 35 A C 2.507 180.115 177.584 0.040 0.000 1.170 35 A CA 1.671 53.730 52.037 0.037 0.000 0.636 35 A CB -0.568 18.506 19.000 0.123 0.000 0.810 35 A HN 0.125 nan 8.150 nan 0.000 0.448 36 V N -0.209 119.678 119.914 -0.044 0.000 2.427 36 V HA -0.247 3.873 4.120 0.001 0.000 0.248 36 V C 2.329 178.399 176.094 -0.040 0.000 1.051 36 V CA 2.298 64.568 62.300 -0.050 0.000 1.048 36 V CB -0.722 31.029 31.823 -0.120 0.000 0.666 36 V HN 0.663 nan 8.190 nan 0.000 0.456 37 E N 0.036 120.194 120.200 -0.070 0.000 2.216 37 E HA -0.128 4.223 4.350 0.001 0.000 0.192 37 E C 1.895 178.402 176.600 -0.156 0.000 0.988 37 E CA 1.112 57.461 56.400 -0.085 0.000 0.834 37 E CB -0.161 29.494 29.700 -0.076 0.000 0.772 37 E HN 0.708 nan 8.360 nan 0.000 0.479 38 N N -0.442 118.087 118.700 -0.286 0.000 2.376 38 N HA -0.020 4.721 4.740 0.001 0.000 0.177 38 N C -0.226 174.866 175.510 -0.697 0.000 1.024 38 N CA 0.447 53.153 53.050 -0.573 0.000 0.893 38 N CB 0.307 38.262 38.487 -0.887 0.000 0.980 38 N HN 0.019 nan 8.380 nan 0.000 0.439 39 F N 0.510 120.449 119.950 -0.017 0.000 2.597 39 F HA 0.324 4.851 4.527 0.001 0.000 0.336 39 F C -2.313 173.491 175.800 0.007 0.000 1.432 39 F CA -2.279 55.721 58.000 -0.000 0.000 1.120 39 F CB 0.925 39.930 39.000 0.008 0.000 1.253 39 F HN -0.178 nan 8.300 nan 0.000 0.546 40 P HA 0.254 nan 4.420 nan 0.000 0.231 40 P C 0.607 177.953 177.300 0.077 0.000 1.811 40 P CA 0.476 63.621 63.100 0.074 0.000 1.051 40 P CB 0.415 32.131 31.700 0.026 0.000 1.951 41 I N 0.872 121.511 120.570 0.114 0.000 3.132 41 I HA -0.055 4.115 4.170 0.001 0.000 0.255 41 I C 2.075 178.224 176.117 0.053 0.000 1.118 41 I CA 0.950 62.294 61.300 0.074 0.000 1.463 41 I CB -0.036 38.021 38.000 0.096 0.000 1.356 41 I HN 0.171 nan 8.210 nan 0.000 0.463 42 S N -0.256 115.525 115.700 0.135 0.000 2.539 42 S HA 0.263 4.734 4.470 0.001 0.000 0.226 42 S C 1.644 176.307 174.600 0.105 0.000 1.054 42 S CA 0.580 58.863 58.200 0.139 0.000 0.910 42 S CB 0.982 64.370 63.200 0.314 0.000 0.818 42 S HN 0.557 nan 8.310 nan 0.000 0.490 43 G N 1.659 110.518 108.800 0.099 0.000 2.143 43 G HA2 -0.281 3.679 3.960 0.001 0.000 0.249 43 G HA3 -0.281 3.679 3.960 0.001 0.000 0.249 43 G C -0.017 174.923 174.900 0.066 0.000 0.981 43 G CA 0.315 45.458 45.100 0.071 0.000 0.665 43 G HN 0.832 nan 8.290 nan 0.000 0.528 44 R N 0.122 120.668 120.500 0.077 0.000 2.534 44 R HA 0.618 4.959 4.340 0.001 0.000 0.301 44 R C 0.768 177.087 176.300 0.033 0.000 0.961 44 R CA 0.103 56.236 56.100 0.055 0.000 0.871 44 R CB 0.938 31.275 30.300 0.060 0.000 1.170 44 R HN 0.312 nan 8.270 nan 0.000 0.446 45 G N 3.179 111.994 108.800 0.025 0.000 2.736 45 G HA2 0.330 4.290 3.960 0.001 0.000 0.229 45 G HA3 0.330 4.290 3.960 0.001 0.000 0.229 45 G C -0.354 174.551 174.900 0.008 0.000 1.380 45 G CA -0.978 44.133 45.100 0.018 0.000 1.040 45 G HN 0.465 nan 8.290 nan 0.000 0.568 46 L N 0.853 122.091 121.223 0.026 0.000 2.485 46 L HA 0.153 4.493 4.340 0.001 0.000 0.275 46 L C 0.501 177.354 176.870 -0.029 0.000 1.207 46 L CA -0.433 54.408 54.840 0.002 0.000 0.855 46 L CB 0.502 42.561 42.059 -0.000 0.000 1.114 46 L HN 0.350 nan 8.230 nan 0.000 0.485 47 E N 2.349 122.522 120.200 -0.045 0.000 2.383 47 E HA 0.045 4.396 4.350 0.001 0.000 0.264 47 E C 1.023 177.570 176.600 -0.087 0.000 1.050 47 E CA -0.013 56.355 56.400 -0.054 0.000 0.896 47 E CB 0.801 30.471 29.700 -0.050 0.000 0.982 47 E HN 0.397 nan 8.360 nan 0.000 0.424 48 R N 0.562 121.016 120.500 -0.076 0.000 2.113 48 R HA -0.189 4.151 4.340 0.001 0.000 0.244 48 R C 2.113 178.345 176.300 -0.113 0.000 1.142 48 R CA 2.038 58.083 56.100 -0.092 0.000 0.953 48 R CB -0.465 29.797 30.300 -0.065 0.000 0.860 48 R HN 0.486 nan 8.270 nan 0.000 0.438 49 T N -0.109 114.382 114.554 -0.105 0.000 2.929 49 T HA -0.175 4.176 4.350 0.001 0.000 0.271 49 T C 1.774 176.398 174.700 -0.126 0.000 1.085 49 T CA 1.301 63.335 62.100 -0.110 0.000 1.125 49 T CB 0.022 68.823 68.868 -0.113 0.000 0.874 49 T HN 0.296 nan 8.240 nan 0.000 0.494 50 Q N -0.581 119.135 119.800 -0.141 0.000 2.163 50 Q HA 0.139 4.480 4.340 0.001 0.000 0.198 50 Q C 2.240 178.115 176.000 -0.208 0.000 0.954 50 Q CA 0.751 56.452 55.803 -0.171 0.000 0.851 50 Q CB -0.013 28.635 28.738 -0.150 0.000 0.928 50 Q HN 0.575 nan 8.270 nan 0.000 0.459 51 I N 0.385 120.798 120.570 -0.262 0.000 2.226 51 I HA -0.306 3.865 4.170 0.001 0.000 0.245 51 I C 2.601 178.560 176.117 -0.262 0.000 1.100 51 I CA 1.208 62.252 61.300 -0.428 0.000 1.374 51 I CB -0.338 37.308 38.000 -0.590 0.000 1.057 51 I HN 0.194 nan 8.210 nan 0.000 0.413 52 R N 1.635 122.034 120.500 -0.168 0.000 2.083 52 R HA -0.203 4.137 4.340 0.001 0.000 0.237 52 R C 2.340 178.591 176.300 -0.082 0.000 1.137 52 R CA 1.821 57.864 56.100 -0.096 0.000 0.951 52 R CB -0.332 29.925 30.300 -0.071 0.000 0.851 52 R HN 0.334 nan 8.270 nan 0.000 0.434 53 A N 1.160 123.918 122.820 -0.103 0.000 1.933 53 A HA -0.097 4.223 4.320 0.001 0.000 0.218 53 A C 2.241 179.779 177.584 -0.076 0.000 1.175 53 A CA 1.188 53.170 52.037 -0.092 0.000 0.628 53 A CB -0.502 18.427 19.000 -0.118 0.000 0.814 53 A HN 0.383 nan 8.150 nan 0.000 0.444 54 L N -0.662 120.508 121.223 -0.089 0.000 2.083 54 L HA -0.153 4.188 4.340 0.001 0.000 0.209 54 L C 2.821 179.698 176.870 0.012 0.000 1.083 54 L CA 1.099 55.921 54.840 -0.030 0.000 0.752 54 L CB -0.707 41.346 42.059 -0.009 0.000 0.899 54 L HN 0.502 nan 8.230 nan 0.000 0.433 55 G N 0.070 108.870 108.800 -0.000 0.000 2.433 55 G HA2 -0.239 3.722 3.960 0.001 0.000 0.216 55 G HA3 -0.239 3.722 3.960 0.001 0.000 0.216 55 G C 1.572 176.485 174.900 0.022 0.000 1.186 55 G CA 0.755 45.875 45.100 0.033 0.000 0.779 55 G HN 0.239 nan 8.290 nan 0.000 0.543 56 L N -0.316 120.906 121.223 -0.002 0.000 2.013 56 L HA -0.123 4.217 4.340 0.001 0.000 0.212 56 L C 2.742 179.608 176.870 -0.007 0.000 1.073 56 L CA 0.914 55.748 54.840 -0.009 0.000 0.753 56 L CB -0.584 41.460 42.059 -0.025 0.000 0.890 56 L HN 0.228 nan 8.230 nan 0.000 0.432 57 L N -0.314 120.904 121.223 -0.007 0.000 2.017 57 L HA -0.181 4.160 4.340 0.001 0.000 0.208 57 L C 2.587 179.473 176.870 0.026 0.000 1.073 57 L CA 1.806 56.645 54.840 -0.001 0.000 0.745 57 L CB -0.583 41.476 42.059 0.000 0.000 0.894 57 L HN 0.067 nan 8.230 nan 0.000 0.432 58 K N -0.096 120.332 120.400 0.047 0.000 2.057 58 K HA -0.043 4.278 4.320 0.001 0.000 0.207 58 K C 2.055 178.689 176.600 0.057 0.000 1.049 58 K CA 1.292 57.621 56.287 0.069 0.000 0.931 58 K CB -1.213 31.337 32.500 0.082 0.000 0.714 58 K HN 0.519 nan 8.250 nan 0.000 0.440 59 G N 1.097 109.921 108.800 0.040 0.000 2.421 59 G HA2 -0.240 3.721 3.960 0.001 0.000 0.216 59 G HA3 -0.240 3.721 3.960 0.001 0.000 0.216 59 G C 1.728 176.637 174.900 0.015 0.000 1.171 59 G CA 1.318 46.436 45.100 0.030 0.000 0.775 59 G HN 0.383 nan 8.290 nan 0.000 0.543 60 A N -0.072 122.744 122.820 -0.006 0.000 1.908 60 A HA -0.099 4.221 4.320 0.001 0.000 0.218 60 A C 2.587 180.139 177.584 -0.054 0.000 1.181 60 A CA 1.837 53.849 52.037 -0.041 0.000 0.627 60 A CB -1.051 17.908 19.000 -0.069 0.000 0.818 60 A HN 0.425 nan 8.150 nan 0.000 0.445 61 C N -1.162 118.132 119.300 -0.010 0.000 2.429 61 C HA 0.031 4.492 4.460 0.001 0.000 0.277 61 C C 3.334 178.406 174.990 0.137 0.000 1.262 61 C CA 0.856 59.920 59.018 0.076 0.000 1.733 61 C CB -1.323 26.547 27.740 0.218 0.000 2.010 61 C HN 0.708 nan 8.230 nan 0.000 0.483 62 A N -0.100 122.777 122.820 0.094 0.000 1.898 62 A HA -0.237 4.084 4.320 0.001 0.000 0.216 62 A C 2.055 179.676 177.584 0.063 0.000 1.181 62 A CA 2.093 54.181 52.037 0.084 0.000 0.620 62 A CB -0.738 18.300 19.000 0.064 0.000 0.819 62 A HN 0.600 nan 8.150 nan 0.000 0.442 63 Q N 0.070 119.890 119.800 0.033 0.000 2.077 63 Q HA -0.142 4.199 4.340 0.001 0.000 0.206 63 Q C 1.818 177.829 176.000 0.018 0.000 0.989 63 Q CA 2.561 58.373 55.803 0.015 0.000 0.853 63 Q CB -0.627 28.107 28.738 -0.008 0.000 0.907 63 Q HN 0.336 nan 8.270 nan 0.000 0.418 64 V N 0.998 120.916 119.914 0.007 0.000 2.407 64 V HA -0.180 3.940 4.120 0.001 0.000 0.245 64 V C 1.989 178.157 176.094 0.124 0.000 1.041 64 V CA 1.678 63.984 62.300 0.010 0.000 1.040 64 V CB -0.737 30.995 31.823 -0.151 0.000 0.671 64 V HN 0.422 nan 8.190 nan 0.000 0.455 65 N N 0.218 119.042 118.700 0.207 0.000 2.094 65 N HA -0.181 4.560 4.740 0.001 0.000 0.191 65 N C 2.176 177.745 175.510 0.097 0.000 1.023 65 N CA 1.919 55.080 53.050 0.186 0.000 0.857 65 N CB -0.423 38.162 38.487 0.164 0.000 1.013 65 N HN 0.470 nan 8.380 nan 0.000 0.426 66 S N 0.827 116.571 115.700 0.073 0.000 2.355 66 S HA -0.114 4.357 4.470 0.001 0.000 0.222 66 S C 1.289 175.914 174.600 0.041 0.000 1.031 66 S CA 1.141 59.369 58.200 0.048 0.000 0.993 66 S CB -0.200 63.023 63.200 0.038 0.000 0.859 66 S HN 0.157 nan 8.310 nan 0.000 0.453 67 D N 1.359 121.783 120.400 0.039 0.000 2.158 67 D HA -0.075 4.565 4.640 0.001 0.000 0.197 67 D C 1.546 177.867 176.300 0.035 0.000 0.995 67 D CA 1.046 55.064 54.000 0.029 0.000 0.846 67 D CB -0.349 40.463 40.800 0.020 0.000 0.941 67 D HN 0.432 nan 8.370 nan 0.000 0.456 68 L N -0.331 120.924 121.223 0.053 0.000 2.612 68 L HA 0.189 4.530 4.340 0.001 0.000 0.230 68 L C 1.217 178.111 176.870 0.038 0.000 1.140 68 L CA 0.097 54.968 54.840 0.052 0.000 0.896 68 L CB -0.312 41.794 42.059 0.079 0.000 1.065 68 L HN 0.041 nan 8.230 nan 0.000 0.447 69 G N 0.713 109.533 108.800 0.034 0.000 2.305 69 G HA2 -0.288 3.672 3.960 0.001 0.000 0.287 69 G HA3 -0.288 3.672 3.960 0.001 0.000 0.287 69 G C 0.643 175.557 174.900 0.022 0.000 1.036 69 G CA 0.401 45.516 45.100 0.025 0.000 0.887 69 G HN 0.424 nan 8.290 nan 0.000 0.505 70 L N -1.809 119.431 121.223 0.028 0.000 2.556 70 L HA 0.494 4.834 4.340 0.001 0.000 0.226 70 L C 0.878 177.757 176.870 0.015 0.000 1.089 70 L CA 0.080 54.930 54.840 0.016 0.000 0.864 70 L CB 0.392 42.459 42.059 0.013 0.000 1.067 70 L HN 0.325 nan 8.230 nan 0.000 0.477 71 L N 0.032 121.270 121.223 0.026 0.000 2.410 71 L HA 0.690 5.031 4.340 0.001 0.000 0.270 71 L C -0.100 176.785 176.870 0.025 0.000 0.983 71 L CA -0.502 54.353 54.840 0.027 0.000 0.822 71 L CB 1.595 43.678 42.059 0.039 0.000 1.285 71 L HN -0.092 nan 8.230 nan 0.000 0.409 72 A N 6.729 129.562 122.820 0.021 0.000 2.520 72 A HA 0.390 4.711 4.320 0.001 0.000 0.245 72 A C -1.636 175.962 177.584 0.022 0.000 1.072 72 A CA -0.632 51.417 52.037 0.020 0.000 0.761 72 A CB -0.449 18.561 19.000 0.017 0.000 1.004 72 A HN 0.754 nan 8.150 nan 0.000 0.499 73 P HA -0.219 nan 4.420 nan 0.000 0.217 73 P C 0.747 178.060 177.300 0.020 0.000 1.148 73 P CA 1.731 64.843 63.100 0.020 0.000 0.828 73 P CB 0.159 31.869 31.700 0.017 0.000 0.783 74 E N 0.408 120.619 120.200 0.019 0.000 2.072 74 E HA -0.140 4.210 4.350 0.001 0.000 0.191 74 E C 2.077 178.691 176.600 0.022 0.000 0.985 74 E CA 1.083 57.495 56.400 0.019 0.000 0.801 74 E CB -0.443 29.267 29.700 0.017 0.000 0.750 74 E HN 0.323 nan 8.360 nan 0.000 0.452 75 K N 0.752 121.168 120.400 0.025 0.000 2.057 75 K HA -0.036 4.284 4.320 0.001 0.000 0.206 75 K C 2.311 178.931 176.600 0.033 0.000 1.050 75 K CA 0.990 57.295 56.287 0.030 0.000 0.935 75 K CB -0.197 32.323 32.500 0.033 0.000 0.715 75 K HN 0.091 nan 8.250 nan 0.000 0.439 76 A N 2.248 125.088 122.820 0.034 0.000 1.892 76 A HA -0.252 4.069 4.320 0.001 0.000 0.218 76 A C 1.664 179.267 177.584 0.032 0.000 1.188 76 A CA 2.172 54.231 52.037 0.036 0.000 0.631 76 A CB -0.616 18.405 19.000 0.035 0.000 0.822 76 A HN 0.209 nan 8.150 nan 0.000 0.447 77 D N -0.116 120.300 120.400 0.027 0.000 2.178 77 D HA -0.053 4.588 4.640 0.001 0.000 0.201 77 D C 2.143 178.459 176.300 0.026 0.000 0.980 77 D CA 1.483 55.497 54.000 0.024 0.000 0.842 77 D CB -0.380 40.432 40.800 0.020 0.000 0.948 77 D HN 0.468 nan 8.370 nan 0.000 0.472 78 A N 0.471 123.307 122.820 0.026 0.000 1.929 78 A HA -0.050 4.271 4.320 0.001 0.000 0.216 78 A C 2.348 179.951 177.584 0.030 0.000 1.176 78 A CA 0.492 52.545 52.037 0.026 0.000 0.628 78 A CB -0.476 18.538 19.000 0.023 0.000 0.816 78 A HN 0.149 nan 8.150 nan 0.000 0.444 79 I N -0.222 120.369 120.570 0.035 0.000 2.179 79 I HA -0.250 3.921 4.170 0.001 0.000 0.242 79 I C 2.269 178.411 176.117 0.041 0.000 1.088 79 I CA 1.310 62.634 61.300 0.041 0.000 1.357 79 I CB -0.319 37.710 38.000 0.048 0.000 1.051 79 I HN 0.289 nan 8.210 nan 0.000 0.409 80 I N 0.802 121.395 120.570 0.037 0.000 2.264 80 I HA -0.317 3.854 4.170 0.001 0.000 0.248 80 I C 2.716 178.854 176.117 0.036 0.000 1.111 80 I CA 1.490 62.810 61.300 0.034 0.000 1.382 80 I CB -0.430 37.586 38.000 0.027 0.000 1.060 80 I HN 0.217 nan 8.210 nan 0.000 0.418 81 A N 0.419 123.261 122.820 0.036 0.000 1.930 81 A HA 0.015 4.335 4.320 0.001 0.000 0.215 81 A C 2.531 180.146 177.584 0.052 0.000 1.176 81 A CA 1.342 53.403 52.037 0.040 0.000 0.632 81 A CB -0.632 18.388 19.000 0.035 0.000 0.819 81 A HN 0.396 nan 8.150 nan 0.000 0.445 82 A N 0.219 123.068 122.820 0.047 0.000 1.858 82 A HA 0.149 4.469 4.320 0.001 0.000 0.216 82 A C 2.513 180.139 177.584 0.069 0.000 1.190 82 A CA 2.123 54.189 52.037 0.048 0.000 0.617 82 A CB -1.169 17.845 19.000 0.023 0.000 0.827 82 A HN 1.098 nan 8.150 nan 0.000 0.443 83 A N -0.291 122.567 122.820 0.064 0.000 1.978 83 A HA 0.100 4.420 4.320 0.001 0.000 0.220 83 A C 2.418 180.046 177.584 0.073 0.000 1.170 83 A CA 2.201 54.282 52.037 0.073 0.000 0.636 83 A CB -0.867 18.168 19.000 0.058 0.000 0.810 83 A HN 1.091 nan 8.150 nan 0.000 0.448 84 A N -0.363 122.496 122.820 0.065 0.000 1.968 84 A HA -0.084 4.237 4.320 0.001 0.000 0.217 84 A C 1.889 179.520 177.584 0.079 0.000 1.169 84 A CA 1.392 53.463 52.037 0.057 0.000 0.638 84 A CB -0.383 18.643 19.000 0.043 0.000 0.812 84 A HN 0.639 nan 8.150 nan 0.000 0.446 85 E N -0.074 120.196 120.200 0.117 0.000 2.047 85 E HA -0.136 4.215 4.350 0.001 0.000 0.191 85 E C 1.846 178.579 176.600 0.222 0.000 0.987 85 E CA 1.208 57.709 56.400 0.169 0.000 0.799 85 E CB -0.309 29.557 29.700 0.276 0.000 0.752 85 E HN 0.678 nan 8.360 nan 0.000 0.449 86 I N 1.329 122.055 120.570 0.259 0.000 2.163 86 I HA -0.281 3.890 4.170 0.001 0.000 0.243 86 I C 2.520 178.702 176.117 0.108 0.000 1.085 86 I CA 1.107 62.554 61.300 0.245 0.000 1.347 86 I CB -0.324 37.809 38.000 0.223 0.000 1.044 86 I HN 0.083 nan 8.210 nan 0.000 0.408 87 A N -0.274 122.588 122.820 0.070 0.000 2.067 87 A HA -0.241 4.079 4.320 0.001 0.000 0.219 87 A C 1.809 179.404 177.584 0.019 0.000 1.158 87 A CA 1.889 53.940 52.037 0.024 0.000 0.661 87 A CB -0.500 18.511 19.000 0.018 0.000 0.801 87 A HN 0.443 nan 8.150 nan 0.000 0.452 88 D N -1.646 118.775 120.400 0.035 0.000 2.328 88 D HA 0.279 4.920 4.640 0.001 0.000 0.221 88 D C 1.127 177.433 176.300 0.009 0.000 1.072 88 D CA 0.922 54.934 54.000 0.020 0.000 0.850 88 D CB -0.200 40.614 40.800 0.023 0.000 0.922 88 D HN 0.478 nan 8.370 nan 0.000 0.516 89 G N 0.896 109.706 108.800 0.017 0.000 2.147 89 G HA2 -0.341 3.620 3.960 0.001 0.000 0.244 89 G HA3 -0.341 3.620 3.960 0.001 0.000 0.244 89 G C 0.839 175.729 174.900 -0.017 0.000 1.005 89 G CA 0.381 45.483 45.100 0.003 0.000 0.713 89 G HN 0.468 nan 8.290 nan 0.000 0.515 90 Q N -0.707 119.065 119.800 -0.047 0.000 2.403 90 Q HA 0.131 4.471 4.340 0.001 0.000 0.203 90 Q C 0.809 176.523 176.000 -0.477 0.000 0.932 90 Q CA 0.427 56.081 55.803 -0.249 0.000 0.945 90 Q CB 0.294 28.839 28.738 -0.321 0.000 1.045 90 Q HN 0.760 nan 8.270 nan 0.000 0.511 91 H N -0.674 118.476 119.070 0.134 0.000 2.750 91 H HA 0.103 4.660 4.556 0.001 0.000 0.239 91 H C -0.208 175.311 175.328 0.318 0.000 1.210 91 H CA -0.175 56.004 56.048 0.219 0.000 0.936 91 H CB 0.725 30.651 29.762 0.273 0.000 2.074 91 H HN 0.182 nan 8.280 nan 0.000 0.622 92 D N 0.785 121.331 120.400 0.244 0.000 2.351 92 D HA -0.109 4.531 4.640 0.001 0.000 0.216 92 D C 1.374 177.842 176.300 0.280 0.000 0.968 92 D CA 0.897 55.018 54.000 0.201 0.000 0.899 92 D CB 0.112 40.955 40.800 0.073 0.000 0.907 92 D HN 0.576 nan 8.370 nan 0.000 0.514 93 D N -0.520 120.052 120.400 0.287 0.000 2.340 93 D HA -0.053 4.588 4.640 0.001 0.000 0.217 93 D C 0.835 177.347 176.300 0.354 0.000 1.081 93 D CA 0.095 54.255 54.000 0.266 0.000 0.842 93 D CB 0.026 40.937 40.800 0.185 0.000 0.934 93 D HN 0.021 nan 8.370 nan 0.000 0.511 94 Q N 0.046 120.100 119.800 0.423 0.000 2.189 94 Q HA 0.194 4.535 4.340 0.001 0.000 0.221 94 Q C -0.645 175.279 176.000 -0.126 0.000 0.848 94 Q CA -0.199 55.771 55.803 0.279 0.000 1.007 94 Q CB 0.188 28.983 28.738 0.094 0.000 1.116 94 Q HN 0.313 nan 8.270 nan 0.000 0.481 95 F N 1.653 121.673 119.950 0.118 0.000 2.622 95 F HA 0.292 4.820 4.527 0.001 0.000 0.338 95 F C -1.536 174.199 175.800 -0.109 0.000 1.334 95 F CA -1.494 56.501 58.000 -0.009 0.000 1.179 95 F CB 1.471 40.493 39.000 0.036 0.000 1.471 95 F HN -0.072 nan 8.300 nan 0.000 0.576 96 P HA 0.036 nan 4.420 nan 0.000 0.240 96 P C 0.458 177.655 177.300 -0.171 0.000 1.190 96 P CA 0.641 63.587 63.100 -0.256 0.000 0.781 96 P CB 0.605 31.918 31.700 -0.646 0.000 0.931 97 I N 1.616 122.096 120.570 -0.151 0.000 2.683 97 I HA -0.003 4.167 4.170 0.001 0.000 0.286 97 I C 1.064 177.167 176.117 -0.023 0.000 1.175 97 I CA 0.124 61.381 61.300 -0.072 0.000 1.429 97 I CB -0.066 37.900 38.000 -0.056 0.000 1.371 97 I HN -0.057 nan 8.210 nan 0.000 0.569 98 D N 4.839 125.250 120.400 0.017 0.000 2.472 98 D HA -0.032 4.609 4.640 0.001 0.000 0.237 98 D C 1.112 177.365 176.300 -0.078 0.000 1.141 98 D CA 0.056 54.072 54.000 0.027 0.000 0.875 98 D CB 1.528 42.405 40.800 0.129 0.000 1.192 98 D HN 0.274 nan 8.370 nan 0.000 0.450 99 V N 4.064 123.909 119.914 -0.116 0.000 2.392 99 V HA -0.230 3.891 4.120 0.001 0.000 0.249 99 V C 0.877 176.670 176.094 -0.501 0.000 1.059 99 V CA 1.262 63.372 62.300 -0.317 0.000 1.051 99 V CB -0.423 31.131 31.823 -0.447 0.000 0.658 99 V HN 0.404 nan 8.190 nan 0.000 0.455 100 F N 1.852 121.721 119.950 -0.134 0.000 2.462 100 F HA 0.427 4.955 4.527 0.001 0.000 0.354 100 F C 0.635 176.157 175.800 -0.463 0.000 1.192 100 F CA -0.322 57.559 58.000 -0.198 0.000 1.173 100 F CB -0.197 38.748 39.000 -0.091 0.000 1.402 100 F HN 0.307 nan 8.300 nan 0.000 0.595 101 Q N -0.408 119.047 119.800 -0.574 0.000 3.177 101 Q HA 0.524 4.865 4.340 0.001 0.000 0.339 101 Q C -0.688 174.850 176.000 -0.769 0.000 0.912 101 Q CA -1.266 53.770 55.803 -1.280 0.000 0.818 101 Q CB 0.624 28.790 28.738 -0.954 0.000 1.448 101 Q HN 0.184 nan 8.270 nan 0.000 0.489 102 T N 0.797 114.976 114.554 -0.625 0.000 2.933 102 T HA 0.056 4.407 4.350 0.001 0.000 0.306 102 T C 1.261 175.798 174.700 -0.272 0.000 1.045 102 T CA 0.544 62.489 62.100 -0.259 0.000 1.143 102 T CB 0.447 69.243 68.868 -0.119 0.000 1.003 102 T HN 0.742 nan 8.240 nan 0.000 0.540 103 G N 1.534 110.217 108.800 -0.195 0.000 2.498 103 G HA2 -0.190 3.770 3.960 0.001 0.000 0.219 103 G HA3 -0.190 3.770 3.960 0.001 0.000 0.219 103 G C 1.617 176.429 174.900 -0.147 0.000 1.119 103 G CA 0.712 45.698 45.100 -0.190 0.000 0.766 103 G HN 0.773 nan 8.290 nan 0.000 0.552 104 S N -1.102 114.512 115.700 -0.143 0.000 2.503 104 S HA 0.365 4.835 4.470 0.001 0.000 0.217 104 S C 1.822 176.284 174.600 -0.230 0.000 0.999 104 S CA 0.958 59.104 58.200 -0.091 0.000 0.914 104 S CB 0.111 63.288 63.200 -0.039 0.000 0.782 104 S HN 1.454 nan 8.310 nan 0.000 0.520 105 G N 0.806 109.314 108.800 -0.486 0.000 2.136 105 G HA2 -0.290 3.670 3.960 0.001 0.000 0.242 105 G HA3 -0.290 3.670 3.960 0.001 0.000 0.242 105 G C 0.663 175.282 174.900 -0.468 0.000 0.989 105 G CA 0.486 44.997 45.100 -0.983 0.000 0.682 105 G HN 0.460 nan 8.290 nan 0.000 0.522 106 T N 0.834 115.253 114.554 -0.224 0.000 2.699 106 T HA -0.165 4.186 4.350 0.001 0.000 0.268 106 T C 2.632 177.296 174.700 -0.060 0.000 1.036 106 T CA 2.165 64.216 62.100 -0.082 0.000 1.147 106 T CB -0.274 68.572 68.868 -0.036 0.000 0.862 106 T HN 0.481 nan 8.240 nan 0.000 0.446 107 S N 1.212 116.856 115.700 -0.093 0.000 2.356 107 S HA -0.101 4.370 4.470 0.001 0.000 0.223 107 S C 2.511 177.098 174.600 -0.022 0.000 1.032 107 S CA 1.231 59.411 58.200 -0.034 0.000 1.005 107 S CB -0.441 62.749 63.200 -0.017 0.000 0.867 107 S HN 0.431 nan 8.310 nan 0.000 0.449 108 S N 1.541 117.203 115.700 -0.064 0.000 2.402 108 S HA -0.087 4.383 4.470 0.001 0.000 0.229 108 S C 1.791 176.492 174.600 0.168 0.000 1.021 108 S CA 1.006 59.251 58.200 0.076 0.000 0.974 108 S CB -0.483 62.790 63.200 0.121 0.000 0.800 108 S HN 0.546 nan 8.310 nan 0.000 0.484 109 N N 1.636 120.414 118.700 0.129 0.000 2.084 109 N HA -0.027 4.714 4.740 0.001 0.000 0.190 109 N C 1.666 177.251 175.510 0.125 0.000 1.030 109 N CA 1.601 54.751 53.050 0.166 0.000 0.849 109 N CB -0.297 38.276 38.487 0.144 0.000 1.012 109 N HN 0.350 nan 8.380 nan 0.000 0.423 110 M N -0.081 119.568 119.600 0.081 0.000 2.108 110 M HA -0.151 4.330 4.480 0.001 0.000 0.261 110 M C 2.084 178.420 176.300 0.060 0.000 1.066 110 M CA 1.452 56.791 55.300 0.065 0.000 1.107 110 M CB -0.547 32.080 32.600 0.046 0.000 1.356 110 M HN 0.346 nan 8.290 nan 0.000 0.406 111 N N -0.458 118.275 118.700 0.055 0.000 2.104 111 N HA -0.169 4.571 4.740 0.001 0.000 0.190 111 N C 1.320 176.839 175.510 0.015 0.000 1.024 111 N CA 1.870 54.925 53.050 0.008 0.000 0.853 111 N CB 0.147 38.641 38.487 0.011 0.000 1.008 111 N HN 0.275 nan 8.380 nan 0.000 0.424 112 T N 0.690 115.350 114.554 0.175 0.000 2.737 112 T HA -0.051 4.299 4.350 0.001 0.000 0.265 112 T C 1.492 176.269 174.700 0.128 0.000 1.038 112 T CA 0.952 63.205 62.100 0.255 0.000 1.144 112 T CB -0.364 68.690 68.868 0.310 0.000 0.866 112 T HN 0.313 nan 8.240 nan 0.000 0.434 113 N N 1.479 120.241 118.700 0.104 0.000 2.069 113 N HA -0.111 4.629 4.740 0.001 0.000 0.191 113 N C 1.891 177.425 175.510 0.040 0.000 1.031 113 N CA 1.247 54.342 53.050 0.075 0.000 0.852 113 N CB -0.362 38.172 38.487 0.078 0.000 1.018 113 N HN 0.571 nan 8.380 nan 0.000 0.423 114 E N 0.241 120.456 120.200 0.026 0.000 2.077 114 E HA -0.083 4.268 4.350 0.001 0.000 0.193 114 E C 1.974 178.564 176.600 -0.017 0.000 0.989 114 E CA 0.789 57.194 56.400 0.009 0.000 0.800 114 E CB 0.048 29.769 29.700 0.035 0.000 0.746 114 E HN 0.075 nan 8.360 nan 0.000 0.452 115 V N 1.234 121.121 119.914 -0.045 0.000 2.427 115 V HA -0.226 3.895 4.120 0.001 0.000 0.248 115 V C 2.186 178.232 176.094 -0.079 0.000 1.051 115 V CA 1.334 63.574 62.300 -0.101 0.000 1.048 115 V CB -0.296 31.395 31.823 -0.220 0.000 0.666 115 V HN 0.260 nan 8.190 nan 0.000 0.456 116 I N 0.344 120.902 120.570 -0.020 0.000 2.286 116 I HA -0.217 3.953 4.170 0.001 0.000 0.248 116 I C 2.551 178.662 176.117 -0.010 0.000 1.115 116 I CA 1.404 62.701 61.300 -0.004 0.000 1.392 116 I CB -0.379 37.645 38.000 0.040 0.000 1.065 116 I HN 0.289 nan 8.210 nan 0.000 0.418 117 A N -0.465 122.350 122.820 -0.008 0.000 1.929 117 A HA -0.136 4.184 4.320 0.001 0.000 0.216 117 A C 2.446 180.014 177.584 -0.027 0.000 1.176 117 A CA 1.742 53.773 52.037 -0.010 0.000 0.628 117 A CB -0.522 18.471 19.000 -0.013 0.000 0.816 117 A HN 0.345 nan 8.150 nan 0.000 0.444 118 S N -0.181 115.493 115.700 -0.044 0.000 2.383 118 S HA -0.053 4.417 4.470 0.001 0.000 0.227 118 S C 1.785 176.351 174.600 -0.056 0.000 1.026 118 S CA 1.283 59.449 58.200 -0.056 0.000 0.981 118 S CB -0.402 62.751 63.200 -0.079 0.000 0.818 118 S HN 0.542 nan 8.310 nan 0.000 0.472 119 I N 1.548 122.076 120.570 -0.070 0.000 2.252 119 I HA -0.178 3.993 4.170 0.001 0.000 0.245 119 I C 2.652 178.757 176.117 -0.021 0.000 1.102 119 I CA 1.040 62.304 61.300 -0.060 0.000 1.385 119 I CB -0.418 37.523 38.000 -0.098 0.000 1.064 119 I HN 0.261 nan 8.210 nan 0.000 0.414 120 A N 0.661 123.473 122.820 -0.014 0.000 1.933 120 A HA -0.144 4.176 4.320 0.001 0.000 0.218 120 A C 2.505 180.089 177.584 -0.000 0.000 1.175 120 A CA 1.756 53.794 52.037 0.001 0.000 0.628 120 A CB -0.707 18.298 19.000 0.009 0.000 0.814 120 A HN 0.435 nan 8.150 nan 0.000 0.444 121 A N -0.238 122.577 122.820 -0.009 0.000 1.930 121 A HA -0.107 4.214 4.320 0.001 0.000 0.217 121 A C 2.019 179.598 177.584 -0.008 0.000 1.175 121 A CA 1.583 53.614 52.037 -0.009 0.000 0.627 121 A CB -0.361 18.629 19.000 -0.017 0.000 0.815 121 A HN 0.502 nan 8.150 nan 0.000 0.443 122 K N -0.710 119.684 120.400 -0.010 0.000 2.515 122 K HA -0.035 4.285 4.320 0.001 0.000 0.196 122 K C 1.231 177.832 176.600 0.003 0.000 1.038 122 K CA 0.662 56.946 56.287 -0.006 0.000 0.967 122 K CB -0.108 32.389 32.500 -0.005 0.000 0.780 122 K HN 0.447 nan 8.250 nan 0.000 0.483 123 G N -0.293 108.510 108.800 0.005 0.000 3.690 123 G HA2 0.238 4.199 3.960 0.001 0.000 0.283 123 G HA3 0.238 4.199 3.960 0.001 0.000 0.283 123 G C 0.641 175.545 174.900 0.008 0.000 1.057 123 G CA 0.098 45.204 45.100 0.009 0.000 0.821 123 G HN 0.260 nan 8.290 nan 0.000 0.526 124 G N -0.833 107.970 108.800 0.005 0.000 2.160 124 G HA2 -0.198 3.762 3.960 0.001 0.000 0.251 124 G HA3 -0.198 3.762 3.960 0.001 0.000 0.251 124 G C 0.016 174.920 174.900 0.007 0.000 1.008 124 G CA 0.329 45.432 45.100 0.005 0.000 0.724 124 G HN 0.922 nan 8.290 nan 0.000 0.514 125 V N 0.125 120.044 119.914 0.008 0.000 2.604 125 V HA 0.698 4.819 4.120 0.001 0.000 0.305 125 V C 0.395 176.496 176.094 0.011 0.000 1.043 125 V CA -0.474 61.833 62.300 0.011 0.000 0.888 125 V CB 2.041 33.873 31.823 0.015 0.000 0.995 125 V HN 0.250 nan 8.190 nan 0.000 0.429 126 T N 6.252 120.815 114.554 0.015 0.000 2.767 126 T HA 0.704 5.055 4.350 0.001 0.000 0.288 126 T C -0.434 174.284 174.700 0.030 0.000 0.963 126 T CA -0.154 61.957 62.100 0.017 0.000 1.019 126 T CB 0.442 69.321 68.868 0.018 0.000 0.923 126 T HN 0.377 nan 8.240 nan 0.000 0.468 127 L N 2.785 124.026 121.223 0.030 0.000 2.386 127 L HA 0.413 4.754 4.340 0.001 0.000 0.271 127 L C -0.044 176.867 176.870 0.069 0.000 0.993 127 L CA -1.177 53.696 54.840 0.055 0.000 0.819 127 L CB 1.848 43.935 42.059 0.046 0.000 1.294 127 L HN 0.596 nan 8.230 nan 0.000 0.414 128 H N 4.276 123.354 119.070 0.014 0.000 2.723 128 H HA 0.178 4.735 4.556 0.001 0.000 0.294 128 H C -2.065 173.274 175.328 0.019 0.000 1.079 128 H CA -1.790 54.267 56.048 0.014 0.000 1.411 128 H CB 1.801 31.570 29.762 0.012 0.000 1.439 128 H HN 0.321 nan 8.280 nan 0.000 0.474 129 P HA -0.233 nan 4.420 nan 0.000 0.217 129 P C 1.448 178.857 177.300 0.181 0.000 1.158 129 P CA 1.507 64.644 63.100 0.062 0.000 0.887 129 P CB 0.407 32.088 31.700 -0.030 0.000 0.792 130 N N -1.386 117.539 118.700 0.374 0.000 2.258 130 N HA -0.096 4.644 4.740 0.001 0.000 0.183 130 N C 1.224 176.820 175.510 0.143 0.000 1.029 130 N CA 0.976 54.182 53.050 0.261 0.000 0.857 130 N CB -0.204 38.437 38.487 0.256 0.000 1.008 130 N HN -0.081 nan 8.380 nan 0.000 0.433 131 D N 0.846 121.270 120.400 0.040 0.000 2.144 131 D HA -0.106 4.535 4.640 0.001 0.000 0.199 131 D C 0.938 177.222 176.300 -0.027 0.000 0.984 131 D CA 1.140 55.037 54.000 -0.172 0.000 0.834 131 D CB -0.061 40.451 40.800 -0.480 0.000 0.955 131 D HN 0.392 nan 8.370 nan 0.000 0.465 132 D N -0.561 119.878 120.400 0.065 0.000 2.652 132 D HA 0.016 4.657 4.640 0.001 0.000 0.261 132 D C 2.316 178.658 176.300 0.070 0.000 1.024 132 D CA 0.227 54.264 54.000 0.061 0.000 0.958 132 D CB -0.158 40.688 40.800 0.078 0.000 1.113 132 D HN 0.006 nan 8.370 nan 0.000 0.471 133 V N 1.297 121.265 119.914 0.090 0.000 2.515 133 V HA -0.137 3.983 4.120 0.001 0.000 0.250 133 V C 1.507 177.654 176.094 0.087 0.000 1.058 133 V CA 1.360 63.711 62.300 0.085 0.000 1.064 133 V CB -0.546 31.327 31.823 0.084 0.000 0.675 133 V HN 0.071 nan 8.190 nan 0.000 0.461 134 N N -0.568 118.180 118.700 0.081 0.000 2.251 134 N HA 0.187 4.927 4.740 0.001 0.000 0.217 134 N C 0.449 175.975 175.510 0.027 0.000 1.124 134 N CA -0.103 52.987 53.050 0.067 0.000 0.843 134 N CB -0.001 38.528 38.487 0.071 0.000 1.024 134 N HN 0.438 nan 8.380 nan 0.000 0.501 135 M N 0.360 119.969 119.600 0.016 0.000 2.252 135 M HA -0.031 4.450 4.480 0.001 0.000 0.348 135 M C 0.195 176.415 176.300 -0.132 0.000 1.334 135 M CA 0.790 56.064 55.300 -0.043 0.000 1.071 135 M CB 0.227 32.814 32.600 -0.023 0.000 1.763 135 M HN 0.267 nan 8.290 nan 0.000 0.452 136 S N 1.065 116.620 115.700 -0.242 0.000 2.929 136 S HA -0.209 4.262 4.470 0.001 0.000 0.271 136 S C -0.413 173.942 174.600 -0.409 0.000 1.295 136 S CA 1.424 59.318 58.200 -0.509 0.000 1.277 136 S CB -1.360 61.155 63.200 -1.141 0.000 1.557 136 S HN 0.912 nan 8.310 nan 0.000 0.666 137 Q N 0.420 120.130 119.800 -0.150 0.000 2.301 137 Q HA 0.737 5.078 4.340 0.001 0.000 0.267 137 Q C -0.268 175.729 176.000 -0.005 0.000 1.035 137 Q CA -0.309 55.482 55.803 -0.019 0.000 0.856 137 Q CB 2.060 30.843 28.738 0.074 0.000 1.337 137 Q HN 0.210 nan 8.270 nan 0.000 0.450 138 S N -0.206 115.507 115.700 0.022 0.000 2.664 138 S HA 0.288 4.759 4.470 0.001 0.000 0.304 138 S C 0.642 175.278 174.600 0.059 0.000 1.099 138 S CA -0.494 57.724 58.200 0.030 0.000 1.003 138 S CB 1.748 64.962 63.200 0.022 0.000 1.092 138 S HN 0.618 nan 8.310 nan 0.000 0.525 139 S N 1.733 117.469 115.700 0.059 0.000 2.402 139 S HA -0.069 4.402 4.470 0.001 0.000 0.229 139 S C 1.440 176.097 174.600 0.095 0.000 1.021 139 S CA 1.295 59.542 58.200 0.079 0.000 0.974 139 S CB -0.697 62.532 63.200 0.048 0.000 0.800 139 S HN 0.759 nan 8.310 nan 0.000 0.484 140 N N 2.043 120.786 118.700 0.071 0.000 2.381 140 N HA -0.076 4.665 4.740 0.001 0.000 0.182 140 N C 1.054 176.613 175.510 0.082 0.000 1.025 140 N CA 1.384 54.479 53.050 0.076 0.000 0.888 140 N CB -0.301 38.221 38.487 0.059 0.000 0.965 140 N HN 0.720 nan 8.380 nan 0.000 0.438 141 D N -1.827 118.618 120.400 0.074 0.000 2.454 141 D HA 0.074 4.715 4.640 0.001 0.000 0.219 141 D C 1.428 177.775 176.300 0.078 0.000 1.081 141 D CA 0.351 54.386 54.000 0.060 0.000 0.867 141 D CB -0.592 40.229 40.800 0.036 0.000 1.054 141 D HN -0.142 nan 8.370 nan 0.000 0.500 142 T N 0.087 114.706 114.554 0.108 0.000 2.698 142 T HA -0.018 4.332 4.350 0.001 0.000 0.260 142 T C 1.320 176.099 174.700 0.132 0.000 1.044 142 T CA 0.894 63.065 62.100 0.119 0.000 1.149 142 T CB -0.466 68.484 68.868 0.136 0.000 0.864 142 T HN 0.086 nan 8.240 nan 0.000 0.419 143 F N 3.153 123.126 119.950 0.039 0.000 2.102 143 F HA -0.012 4.516 4.527 0.001 0.000 0.298 143 F C -0.791 175.041 175.800 0.053 0.000 1.105 143 F CA 0.874 58.896 58.000 0.036 0.000 1.239 143 F CB -0.899 38.116 39.000 0.025 0.000 0.991 143 F HN 0.176 nan 8.300 nan 0.000 0.474 144 P HA -0.127 nan 4.420 nan 0.000 0.217 144 P C 1.566 178.912 177.300 0.076 0.000 1.150 144 P CA 1.941 65.117 63.100 0.127 0.000 0.832 144 P CB -0.360 31.420 31.700 0.133 0.000 0.787 145 T N 0.179 114.738 114.554 0.009 0.000 2.746 145 T HA -0.074 4.277 4.350 0.001 0.000 0.267 145 T C 2.057 176.736 174.700 -0.035 0.000 1.039 145 T CA 1.710 63.800 62.100 -0.018 0.000 1.142 145 T CB -0.831 68.027 68.868 -0.017 0.000 0.866 145 T HN 0.078 nan 8.240 nan 0.000 0.444 146 A N 1.312 124.069 122.820 -0.104 0.000 1.908 146 A HA -0.158 4.162 4.320 0.001 0.000 0.218 146 A C 2.548 180.011 177.584 -0.200 0.000 1.181 146 A CA 2.219 54.153 52.037 -0.173 0.000 0.627 146 A CB -1.309 17.531 19.000 -0.266 0.000 0.818 146 A HN 0.481 nan 8.150 nan 0.000 0.445 147 T N -0.760 113.646 114.554 -0.246 0.000 2.708 147 T HA -0.153 4.198 4.350 0.001 0.000 0.266 147 T C 1.758 176.392 174.700 -0.110 0.000 1.037 147 T CA 1.536 63.513 62.100 -0.205 0.000 1.146 147 T CB -0.529 68.234 68.868 -0.175 0.000 0.865 147 T HN 0.660 nan 8.240 nan 0.000 0.435 148 H N 0.156 119.166 119.070 -0.100 0.000 2.457 148 H HA 0.109 4.666 4.556 0.001 0.000 0.294 148 H C 2.274 177.549 175.328 -0.087 0.000 1.064 148 H CA 0.838 56.846 56.048 -0.066 0.000 1.330 148 H CB -0.086 29.652 29.762 -0.040 0.000 1.395 148 H HN 0.337 nan 8.280 nan 0.000 0.541 149 I N 0.652 121.229 120.570 0.011 0.000 2.202 149 I HA -0.200 3.970 4.170 0.001 0.000 0.242 149 I C 2.832 178.895 176.117 -0.091 0.000 1.091 149 I CA 0.861 62.135 61.300 -0.043 0.000 1.368 149 I CB -0.202 37.765 38.000 -0.055 0.000 1.058 149 I HN 0.157 nan 8.210 nan 0.000 0.410 150 A N 0.693 123.443 122.820 -0.117 0.000 1.902 150 A HA -0.128 4.192 4.320 0.001 0.000 0.217 150 A C 2.513 179.970 177.584 -0.211 0.000 1.181 150 A CA 1.793 53.742 52.037 -0.146 0.000 0.623 150 A CB -0.779 18.131 19.000 -0.150 0.000 0.818 150 A HN 0.424 nan 8.150 nan 0.000 0.443 151 A N -1.168 121.521 122.820 -0.218 0.000 1.930 151 A HA -0.035 4.285 4.320 0.001 0.000 0.217 151 A C 2.284 179.591 177.584 -0.461 0.000 1.175 151 A CA 2.159 53.988 52.037 -0.347 0.000 0.627 151 A CB -1.083 17.826 19.000 -0.151 0.000 0.815 151 A HN 0.414 nan 8.150 nan 0.000 0.443 152 T N -0.648 113.765 114.554 -0.234 0.000 2.812 152 T HA -0.109 4.242 4.350 0.001 0.000 0.264 152 T C 1.859 176.442 174.700 -0.194 0.000 1.042 152 T CA 1.434 63.430 62.100 -0.174 0.000 1.140 152 T CB -0.156 68.668 68.868 -0.073 0.000 0.870 152 T HN 0.692 nan 8.240 nan 0.000 0.445 153 E N 0.913 121.010 120.200 -0.171 0.000 2.077 153 E HA -0.117 4.234 4.350 0.001 0.000 0.193 153 E C 2.392 178.916 176.600 -0.127 0.000 0.989 153 E CA 0.998 57.323 56.400 -0.124 0.000 0.800 153 E CB -0.198 29.457 29.700 -0.074 0.000 0.746 153 E HN 0.457 nan 8.360 nan 0.000 0.452 154 A N 1.023 123.686 122.820 -0.262 0.000 1.933 154 A HA -0.130 4.191 4.320 0.001 0.000 0.218 154 A C 2.340 179.709 177.584 -0.358 0.000 1.175 154 A CA 1.860 53.714 52.037 -0.305 0.000 0.628 154 A CB -0.686 17.935 19.000 -0.632 0.000 0.814 154 A HN 0.416 nan 8.150 nan 0.000 0.444 155 A N -1.007 121.471 122.820 -0.570 0.000 1.897 155 A HA 0.119 4.440 4.320 0.001 0.000 0.215 155 A C 2.164 179.713 177.584 -0.058 0.000 1.181 155 A CA 1.714 53.626 52.037 -0.208 0.000 0.620 155 A CB -0.565 18.369 19.000 -0.110 0.000 0.821 155 A HN 0.372 nan 8.150 nan 0.000 0.443 156 V N -1.037 118.815 119.914 -0.103 0.000 2.685 156 V HA 0.049 4.170 4.120 0.001 0.000 0.244 156 V C 2.682 178.704 176.094 -0.120 0.000 1.054 156 V CA 1.480 63.731 62.300 -0.081 0.000 1.076 156 V CB -0.326 31.448 31.823 -0.080 0.000 0.725 156 V HN 0.543 nan 8.190 nan 0.000 0.467 157 A N -2.106 120.597 122.820 -0.195 0.000 2.195 157 A HA 0.049 4.369 4.320 0.001 0.000 0.210 157 A C 1.825 179.055 177.584 -0.590 0.000 1.165 157 A CA 0.749 52.550 52.037 -0.393 0.000 0.806 157 A CB -0.192 18.509 19.000 -0.499 0.000 0.847 157 A HN 0.648 nan 8.150 nan 0.000 0.482 158 H N -2.866 116.184 119.070 -0.035 0.000 2.276 158 H HA 0.117 4.674 4.556 0.001 0.000 0.199 158 H C 1.648 176.996 175.328 0.033 0.000 0.867 158 H CA 0.774 56.818 56.048 -0.006 0.000 0.948 158 H CB -0.245 29.507 29.762 -0.017 0.000 1.251 158 H HN 0.353 nan 8.280 nan 0.000 0.388 159 L N 1.450 122.783 121.223 0.184 0.000 2.049 159 L HA 0.093 4.434 4.340 0.001 0.000 0.203 159 L C 2.146 179.089 176.870 0.122 0.000 1.074 159 L CA 1.258 56.212 54.840 0.189 0.000 0.749 159 L CB -0.742 41.505 42.059 0.313 0.000 0.907 159 L HN 0.094 nan 8.230 nan 0.000 0.439 160 I N 0.144 120.766 120.570 0.087 0.000 2.127 160 I HA -0.220 3.951 4.170 0.001 0.000 0.241 160 I C -0.365 175.771 176.117 0.032 0.000 1.075 160 I CA 1.446 62.776 61.300 0.050 0.000 1.334 160 I CB -1.436 36.578 38.000 0.024 0.000 1.040 160 I HN 0.253 nan 8.210 nan 0.000 0.405 161 P HA -0.192 nan 4.420 nan 0.000 0.216 161 P C 1.424 178.749 177.300 0.041 0.000 1.150 161 P CA 1.892 64.999 63.100 0.013 0.000 0.837 161 P CB -0.054 31.640 31.700 -0.011 0.000 0.786 162 A N -0.553 122.306 122.820 0.065 0.000 1.877 162 A HA -0.164 4.156 4.320 0.001 0.000 0.216 162 A C 2.226 179.860 177.584 0.083 0.000 1.186 162 A CA 1.454 53.538 52.037 0.080 0.000 0.620 162 A CB -1.644 17.415 19.000 0.098 0.000 0.822 162 A HN 0.107 nan 8.150 nan 0.000 0.443 163 L N -1.096 120.177 121.223 0.084 0.000 2.046 163 L HA -0.234 4.107 4.340 0.001 0.000 0.208 163 L C 2.856 179.783 176.870 0.095 0.000 1.077 163 L CA 1.722 56.617 54.840 0.091 0.000 0.747 163 L CB -0.544 41.563 42.059 0.080 0.000 0.896 163 L HN 0.465 nan 8.230 nan 0.000 0.432 164 Q N 0.416 120.253 119.800 0.062 0.000 2.124 164 Q HA -0.277 4.064 4.340 0.001 0.000 0.202 164 Q C 2.150 178.208 176.000 0.097 0.000 0.977 164 Q CA 1.832 57.666 55.803 0.051 0.000 0.850 164 Q CB -0.204 28.538 28.738 0.006 0.000 0.901 164 Q HN 0.452 nan 8.270 nan 0.000 0.429 165 Q N -0.894 118.950 119.800 0.074 0.000 2.124 165 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 165 Q C 1.882 177.921 176.000 0.066 0.000 0.977 165 Q CA 1.395 57.236 55.803 0.063 0.000 0.850 165 Q CB -0.176 28.591 28.738 0.048 0.000 0.901 165 Q HN 0.467 nan 8.270 nan 0.000 0.429 166 L N 0.511 121.784 121.223 0.083 0.000 2.093 166 L HA -0.182 4.159 4.340 0.001 0.000 0.208 166 L C 2.432 179.347 176.870 0.075 0.000 1.085 166 L CA 2.052 56.932 54.840 0.066 0.000 0.755 166 L CB -0.859 41.262 42.059 0.102 0.000 0.904 166 L HN 0.412 nan 8.230 nan 0.000 0.435 167 H N -0.293 118.795 119.070 0.030 0.000 2.290 167 H HA -0.179 4.378 4.556 0.001 0.000 0.298 167 H C 1.568 176.906 175.328 0.017 0.000 1.087 167 H CA 2.177 58.245 56.048 0.033 0.000 1.291 167 H CB -0.072 29.709 29.762 0.031 0.000 1.369 167 H HN 0.379 nan 8.280 nan 0.000 0.492 168 D N 0.790 121.276 120.400 0.143 0.000 2.104 168 D HA -0.119 4.522 4.640 0.001 0.000 0.194 168 D C 2.313 178.573 176.300 -0.067 0.000 0.994 168 D CA 1.511 55.542 54.000 0.052 0.000 0.830 168 D CB -0.659 40.191 40.800 0.082 0.000 0.959 168 D HN 0.515 nan 8.370 nan 0.000 0.452 169 A N 0.336 123.122 122.820 -0.057 0.000 1.972 169 A HA -0.098 4.223 4.320 0.001 0.000 0.219 169 A C 2.362 179.879 177.584 -0.111 0.000 1.169 169 A CA 0.878 52.859 52.037 -0.094 0.000 0.635 169 A CB -0.652 18.295 19.000 -0.089 0.000 0.810 169 A HN 0.214 nan 8.150 nan 0.000 0.446 170 L N -1.090 120.086 121.223 -0.078 0.000 2.109 170 L HA -0.081 4.260 4.340 0.001 0.000 0.207 170 L C 3.009 179.848 176.870 -0.052 0.000 1.086 170 L CA 0.873 55.727 54.840 0.023 0.000 0.760 170 L CB -0.436 41.663 42.059 0.066 0.000 0.910 170 L HN 0.396 nan 8.230 nan 0.000 0.437 171 A N 0.103 122.800 122.820 -0.205 0.000 1.930 171 A HA -0.086 4.235 4.320 0.001 0.000 0.217 171 A C 2.543 180.038 177.584 -0.148 0.000 1.175 171 A CA 1.451 53.367 52.037 -0.202 0.000 0.627 171 A CB -0.595 18.227 19.000 -0.297 0.000 0.815 171 A HN 0.360 nan 8.150 nan 0.000 0.443 172 A N -0.053 122.670 122.820 -0.162 0.000 1.908 172 A HA -0.163 4.158 4.320 0.001 0.000 0.218 172 A C 2.087 179.496 177.584 -0.292 0.000 1.181 172 A CA 1.809 53.734 52.037 -0.187 0.000 0.627 172 A CB -0.345 18.550 19.000 -0.175 0.000 0.818 172 A HN 0.338 nan 8.150 nan 0.000 0.445 173 K N -0.161 120.003 120.400 -0.392 0.000 2.097 173 K HA -0.005 4.316 4.320 0.001 0.000 0.205 173 K C 2.235 178.556 176.600 -0.466 0.000 1.050 173 K CA 1.209 57.049 56.287 -0.745 0.000 0.938 173 K CB -0.783 31.107 32.500 -1.016 0.000 0.718 173 K HN 0.457 nan 8.250 nan 0.000 0.442 174 A N 1.286 124.011 122.820 -0.160 0.000 1.940 174 A HA -0.136 4.184 4.320 0.001 0.000 0.219 174 A C 2.292 179.883 177.584 0.011 0.000 1.176 174 A CA 1.274 53.318 52.037 0.011 0.000 0.631 174 A CB -0.496 18.527 19.000 0.038 0.000 0.814 174 A HN 0.179 nan 8.150 nan 0.000 0.446 175 L N -0.965 120.213 121.223 -0.074 0.000 2.102 175 L HA -0.087 4.253 4.340 0.001 0.000 0.202 175 L C 1.986 178.839 176.870 -0.028 0.000 1.076 175 L CA 1.101 55.904 54.840 -0.062 0.000 0.761 175 L CB -0.464 41.536 42.059 -0.098 0.000 0.921 175 L HN 0.265 nan 8.230 nan 0.000 0.444 176 D N -0.717 119.600 120.400 -0.138 0.000 2.182 176 D HA -0.207 4.433 4.640 0.001 0.000 0.201 176 D C 1.369 177.744 176.300 0.124 0.000 0.986 176 D CA 1.183 55.113 54.000 -0.117 0.000 0.847 176 D CB -0.053 40.534 40.800 -0.356 0.000 0.942 176 D HN 0.367 nan 8.370 nan 0.000 0.467 177 W N 0.222 121.498 121.300 -0.041 0.000 3.102 177 W HA 0.141 4.801 4.660 0.001 0.000 0.401 177 W C 1.554 178.084 176.519 0.018 0.000 1.070 177 W CA -1.009 56.310 57.345 -0.044 0.000 1.921 177 W CB -1.135 28.247 29.460 -0.130 0.000 1.118 177 W HN 0.148 nan 8.180 nan 0.000 0.647 178 H N 1.107 120.262 119.070 0.143 0.000 2.362 178 H HA -0.210 4.346 4.556 0.001 0.000 0.294 178 H C 1.969 177.335 175.328 0.063 0.000 1.113 178 H CA 2.835 58.931 56.048 0.079 0.000 1.253 178 H CB 0.030 29.818 29.762 0.043 0.000 1.363 178 H HN -0.013 nan 8.280 nan 0.000 0.494 179 T N -2.625 111.932 114.554 0.004 0.000 3.129 179 T HA 0.253 4.604 4.350 0.001 0.000 0.267 179 T C 0.186 174.856 174.700 -0.050 0.000 1.018 179 T CA 0.002 62.051 62.100 -0.086 0.000 0.903 179 T CB -0.322 68.525 68.868 -0.035 0.000 1.067 179 T HN 0.006 nan 8.240 nan 0.000 0.549 180 V N 2.857 122.754 119.914 -0.027 0.000 2.287 180 V HA 0.257 4.377 4.120 0.001 0.000 0.246 180 V C 0.752 176.789 176.094 -0.095 0.000 1.165 180 V CA -0.677 61.571 62.300 -0.088 0.000 1.088 180 V CB -0.074 31.630 31.823 -0.199 0.000 1.242 180 V HN 0.466 nan 8.190 nan 0.000 0.497 181 V N 6.835 126.697 119.914 -0.086 0.000 2.811 181 V HA 0.523 4.643 4.120 0.001 0.000 0.302 181 V C 0.220 176.264 176.094 -0.084 0.000 1.063 181 V CA 0.021 62.275 62.300 -0.078 0.000 1.088 181 V CB 1.266 33.046 31.823 -0.071 0.000 0.982 181 V HN 1.035 nan 8.190 nan 0.000 0.485 182 K N 3.103 123.461 120.400 -0.070 0.000 2.578 182 K HA 0.518 4.839 4.320 0.001 0.000 0.287 182 K C -1.023 175.543 176.600 -0.056 0.000 1.010 182 K CA -0.678 55.565 56.287 -0.073 0.000 0.889 182 K CB 1.538 33.999 32.500 -0.065 0.000 1.514 182 K HN 0.408 nan 8.250 nan 0.000 0.424 183 S N -0.031 115.634 115.700 -0.058 0.000 2.528 183 S HA 0.367 4.838 4.470 0.001 0.000 0.277 183 S C 0.222 174.805 174.600 -0.028 0.000 1.297 183 S CA -0.106 58.067 58.200 -0.044 0.000 1.052 183 S CB 0.181 63.352 63.200 -0.048 0.000 0.917 183 S HN 0.672 nan 8.310 nan 0.000 0.492 184 G N 3.409 112.195 108.800 -0.023 0.000 2.569 184 G HA2 0.456 4.417 3.960 0.001 0.000 0.249 184 G HA3 0.456 4.417 3.960 0.001 0.000 0.249 184 G C -0.667 174.223 174.900 -0.016 0.000 1.216 184 G CA -0.573 44.517 45.100 -0.016 0.000 0.845 184 G HN 0.723 nan 8.290 nan 0.000 0.568 185 R N -0.344 120.146 120.500 -0.017 0.000 2.561 185 R HA 0.581 4.922 4.340 0.001 0.000 0.297 185 R C -0.696 175.583 176.300 -0.034 0.000 0.969 185 R CA -0.641 55.445 56.100 -0.023 0.000 0.879 185 R CB 2.236 32.514 30.300 -0.036 0.000 1.178 185 R HN 0.719 nan 8.270 nan 0.000 0.445 186 T N -1.426 113.115 114.554 -0.021 0.000 2.912 186 T HA 0.256 4.607 4.350 0.001 0.000 0.299 186 T C 0.232 174.934 174.700 0.002 0.000 1.052 186 T CA -0.797 61.259 62.100 -0.074 0.000 0.996 186 T CB 1.085 69.923 68.868 -0.049 0.000 1.070 186 T HN 0.850 nan 8.240 nan 0.000 0.465 187 H N 2.034 121.079 119.070 -0.042 0.000 2.884 187 H HA -0.172 4.384 4.556 0.001 0.000 0.289 187 H C 1.049 176.336 175.328 -0.069 0.000 1.142 187 H CA 0.939 56.958 56.048 -0.049 0.000 1.158 187 H CB -1.580 28.160 29.762 -0.037 0.000 1.325 187 H HN 0.866 nan 8.280 nan 0.000 0.366 188 L N -4.100 117.115 121.223 -0.014 0.000 5.081 188 L HA -0.263 4.078 4.340 0.001 0.000 0.423 188 L C 0.301 177.149 176.870 -0.036 0.000 1.019 188 L CA 0.995 55.794 54.840 -0.068 0.000 1.223 188 L CB -0.982 41.009 42.059 -0.114 0.000 1.940 188 L HN 0.124 nan 8.230 nan 0.000 0.675 189 M N -0.013 119.594 119.600 0.012 0.000 2.478 189 M HA 0.391 4.872 4.480 0.001 0.000 0.327 189 M C 0.358 176.660 176.300 0.003 0.000 1.187 189 M CA -0.504 54.800 55.300 0.007 0.000 1.022 189 M CB 0.539 33.151 32.600 0.020 0.000 1.629 189 M HN -0.112 nan 8.290 nan 0.000 0.461 190 D N 1.576 121.972 120.400 -0.007 0.000 2.571 190 D HA 0.337 4.977 4.640 0.001 0.000 0.231 190 D C -0.164 176.134 176.300 -0.004 0.000 1.133 190 D CA 0.544 54.538 54.000 -0.011 0.000 0.862 190 D CB 0.552 41.342 40.800 -0.016 0.000 1.179 190 D HN 0.669 nan 8.370 nan 0.000 0.474 191 A N 1.537 124.351 122.820 -0.009 0.000 2.507 191 A HA 0.659 4.979 4.320 0.001 0.000 0.284 191 A C -0.117 177.458 177.584 -0.015 0.000 1.281 191 A CA -0.597 51.437 52.037 -0.006 0.000 0.744 191 A CB 0.433 19.434 19.000 0.001 0.000 1.332 191 A HN 0.404 nan 8.150 nan 0.000 0.454 192 V N -2.151 117.754 119.914 -0.015 0.000 3.237 192 V HA 0.449 4.570 4.120 0.001 0.000 0.305 192 V C -2.625 173.454 176.094 -0.025 0.000 1.096 192 V CA -1.395 60.892 62.300 -0.021 0.000 1.130 192 V CB -0.551 31.261 31.823 -0.019 0.000 1.048 192 V HN 0.611 nan 8.190 nan 0.000 0.484 193 P HA 0.411 nan 4.420 nan 0.000 0.271 193 P C -0.429 176.852 177.300 -0.032 0.000 1.216 193 P CA 0.032 63.111 63.100 -0.035 0.000 0.771 193 P CB 1.007 32.683 31.700 -0.040 0.000 0.864 194 V N -0.237 119.658 119.914 -0.031 0.000 3.155 194 V HA 0.879 5.000 4.120 0.001 0.000 0.313 194 V C -0.167 175.908 176.094 -0.032 0.000 1.162 194 V CA -0.853 61.431 62.300 -0.027 0.000 1.048 194 V CB 1.642 33.455 31.823 -0.017 0.000 1.092 194 V HN 0.596 nan 8.190 nan 0.000 0.447 195 T N -1.029 113.510 114.554 -0.025 0.000 2.945 195 T HA 0.535 4.886 4.350 0.001 0.000 0.286 195 T C 0.632 175.355 174.700 0.038 0.000 1.025 195 T CA -0.385 61.704 62.100 -0.019 0.000 1.039 195 T CB 1.572 70.412 68.868 -0.047 0.000 1.068 195 T HN 0.738 nan 8.240 nan 0.000 0.497 196 L N 2.168 123.420 121.223 0.048 0.000 2.131 196 L HA 0.208 4.548 4.340 0.001 0.000 0.210 196 L C 2.529 179.585 176.870 0.309 0.000 1.092 196 L CA 2.262 57.193 54.840 0.152 0.000 0.759 196 L CB -1.329 40.705 42.059 -0.042 0.000 0.903 196 L HN 1.030 nan 8.230 nan 0.000 0.435 197 G N -1.695 107.253 108.800 0.247 0.000 2.422 197 G HA2 -0.273 3.688 3.960 0.001 0.000 0.218 197 G HA3 -0.273 3.688 3.960 0.001 0.000 0.218 197 G C 1.482 176.496 174.900 0.190 0.000 1.146 197 G CA 0.654 45.908 45.100 0.256 0.000 0.769 197 G HN 0.479 nan 8.290 nan 0.000 0.547 198 Q N -0.073 119.798 119.800 0.118 0.000 2.079 198 Q HA -0.048 4.293 4.340 0.001 0.000 0.200 198 Q C 2.494 178.481 176.000 -0.021 0.000 0.974 198 Q CA 1.217 57.051 55.803 0.052 0.000 0.840 198 Q CB -0.088 28.662 28.738 0.020 0.000 0.898 198 Q HN 0.578 nan 8.270 nan 0.000 0.430 199 E N -0.136 120.048 120.200 -0.028 0.000 2.110 199 E HA -0.168 4.182 4.350 0.001 0.000 0.193 199 E C 1.565 177.748 176.600 -0.694 0.000 0.988 199 E CA 0.876 57.106 56.400 -0.284 0.000 0.804 199 E CB -0.048 29.569 29.700 -0.139 0.000 0.745 199 E HN 0.317 nan 8.360 nan 0.000 0.458 200 F N 0.649 120.383 119.950 -0.359 0.000 2.367 200 F HA -0.132 4.396 4.527 0.001 0.000 0.298 200 F C 2.785 178.477 175.800 -0.179 0.000 1.094 200 F CA 1.016 58.862 58.000 -0.257 0.000 1.409 200 F CB 0.005 39.022 39.000 0.029 0.000 1.064 200 F HN 0.016 nan 8.300 nan 0.000 0.528 201 S N -0.307 115.398 115.700 0.008 0.000 2.402 201 S HA -0.082 4.388 4.470 0.001 0.000 0.229 201 S C 2.361 176.930 174.600 -0.051 0.000 1.021 201 S CA 1.065 59.260 58.200 -0.008 0.000 0.974 201 S CB -1.221 61.990 63.200 0.018 0.000 0.800 201 S HN 0.329 nan 8.310 nan 0.000 0.484 202 G N 0.647 109.360 108.800 -0.145 0.000 2.421 202 G HA2 -0.136 3.824 3.960 0.001 0.000 0.216 202 G HA3 -0.136 3.824 3.960 0.001 0.000 0.216 202 G C 1.232 176.107 174.900 -0.042 0.000 1.171 202 G CA 1.016 46.038 45.100 -0.130 0.000 0.775 202 G HN 0.582 nan 8.290 nan 0.000 0.543 203 Y N 1.393 121.655 120.300 -0.063 0.000 2.181 203 Y HA 0.070 4.620 4.550 0.001 0.000 0.288 203 Y C 3.132 179.018 175.900 -0.023 0.000 1.146 203 Y CA 0.069 58.121 58.100 -0.080 0.000 1.164 203 Y CB -1.243 37.093 38.460 -0.206 0.000 0.982 203 Y HN 0.267 nan 8.280 nan 0.000 0.515 204 A N 0.460 123.341 122.820 0.101 0.000 1.908 204 A HA -0.265 4.056 4.320 0.001 0.000 0.218 204 A C 2.341 180.007 177.584 0.137 0.000 1.181 204 A CA 2.233 54.289 52.037 0.031 0.000 0.627 204 A CB -0.666 18.260 19.000 -0.124 0.000 0.818 204 A HN 0.347 nan 8.150 nan 0.000 0.445 205 R N -0.007 120.558 120.500 0.108 0.000 2.115 205 R HA -0.084 4.257 4.340 0.001 0.000 0.230 205 R C 2.109 178.477 176.300 0.113 0.000 1.111 205 R CA 1.962 58.133 56.100 0.119 0.000 0.976 205 R CB -0.668 29.675 30.300 0.072 0.000 0.870 205 R HN 0.684 nan 8.270 nan 0.000 0.445 206 Q N -0.284 119.584 119.800 0.112 0.000 2.084 206 Q HA -0.112 4.228 4.340 0.001 0.000 0.202 206 Q C 1.764 177.825 176.000 0.101 0.000 0.978 206 Q CA 1.426 57.288 55.803 0.099 0.000 0.844 206 Q CB -0.062 28.741 28.738 0.109 0.000 0.898 206 Q HN 0.321 nan 8.270 nan 0.000 0.426 207 I N 0.751 121.401 120.570 0.133 0.000 2.252 207 I HA -0.223 3.948 4.170 0.001 0.000 0.245 207 I C 2.289 178.482 176.117 0.125 0.000 1.102 207 I CA 1.360 62.742 61.300 0.136 0.000 1.385 207 I CB -1.201 36.900 38.000 0.170 0.000 1.064 207 I HN 0.338 nan 8.210 nan 0.000 0.414 208 E N 1.291 121.591 120.200 0.168 0.000 2.085 208 E HA -0.221 4.130 4.350 0.001 0.000 0.194 208 E C 2.261 178.882 176.600 0.036 0.000 0.994 208 E CA 1.568 58.006 56.400 0.064 0.000 0.801 208 E CB 0.062 29.811 29.700 0.081 0.000 0.743 208 E HN 0.427 nan 8.360 nan 0.000 0.453 209 A N 0.582 123.435 122.820 0.055 0.000 1.969 209 A HA -0.045 4.276 4.320 0.001 0.000 0.218 209 A C 2.359 179.962 177.584 0.033 0.000 1.169 209 A CA 1.469 53.529 52.037 0.038 0.000 0.635 209 A CB -0.987 18.037 19.000 0.041 0.000 0.810 209 A HN 0.455 nan 8.150 nan 0.000 0.445 210 G N 0.275 109.100 108.800 0.042 0.000 2.421 210 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 210 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 210 G C 1.516 176.436 174.900 0.033 0.000 1.171 210 G CA 1.123 46.244 45.100 0.036 0.000 0.775 210 G HN 0.474 nan 8.290 nan 0.000 0.543 211 I N 0.661 121.249 120.570 0.030 0.000 2.208 211 I HA -0.192 3.979 4.170 0.001 0.000 0.245 211 I C 2.778 178.903 176.117 0.014 0.000 1.097 211 I CA 1.444 62.756 61.300 0.019 0.000 1.363 211 I CB -0.301 37.694 38.000 -0.009 0.000 1.051 211 I HN 0.281 nan 8.210 nan 0.000 0.413 212 E N 0.739 120.944 120.200 0.008 0.000 2.110 212 E HA -0.230 4.120 4.350 0.001 0.000 0.193 212 E C 2.195 178.804 176.600 0.015 0.000 0.988 212 E CA 1.145 57.549 56.400 0.008 0.000 0.804 212 E CB -0.118 29.585 29.700 0.006 0.000 0.745 212 E HN 0.589 nan 8.360 nan 0.000 0.458 213 R N 0.379 120.891 120.500 0.020 0.000 2.193 213 R HA 0.024 4.364 4.340 0.001 0.000 0.213 213 R C 2.088 178.405 176.300 0.029 0.000 1.055 213 R CA 0.678 56.791 56.100 0.021 0.000 0.995 213 R CB -0.334 29.975 30.300 0.016 0.000 0.893 213 R HN -0.022 nan 8.270 nan 0.000 0.459 214 V N 1.746 121.684 119.914 0.039 0.000 2.379 214 V HA -0.131 3.989 4.120 0.001 0.000 0.245 214 V C 2.454 178.583 176.094 0.058 0.000 1.044 214 V CA 1.608 63.947 62.300 0.065 0.000 1.036 214 V CB -0.510 31.369 31.823 0.092 0.000 0.664 214 V HN 0.300 nan 8.190 nan 0.000 0.453 215 R N 0.388 120.911 120.500 0.038 0.000 2.096 215 R HA -0.121 4.220 4.340 0.001 0.000 0.235 215 R C 2.336 178.651 176.300 0.024 0.000 1.127 215 R CA 1.442 57.558 56.100 0.026 0.000 0.968 215 R CB -0.590 29.717 30.300 0.012 0.000 0.861 215 R HN 0.525 nan 8.270 nan 0.000 0.440 216 A N 0.860 123.694 122.820 0.024 0.000 2.121 216 A HA -0.155 4.165 4.320 0.001 0.000 0.218 216 A C 2.370 179.970 177.584 0.028 0.000 1.154 216 A CA 1.438 53.488 52.037 0.021 0.000 0.679 216 A CB -0.615 18.396 19.000 0.018 0.000 0.795 216 A HN 0.676 nan 8.150 nan 0.000 0.458 217 C N -2.219 117.104 119.300 0.038 0.000 2.735 217 C HA 0.400 4.861 4.460 0.001 0.000 0.271 217 C C 2.210 177.232 174.990 0.053 0.000 1.281 217 C CA 0.140 59.186 59.018 0.047 0.000 1.719 217 C CB -1.473 26.300 27.740 0.055 0.000 2.024 217 C HN 0.455 nan 8.230 nan 0.000 0.566 218 L N 1.567 122.818 121.223 0.047 0.000 2.043 218 L HA -0.072 4.269 4.340 0.001 0.000 0.212 218 L C -0.102 176.789 176.870 0.035 0.000 1.075 218 L CA 1.881 56.745 54.840 0.040 0.000 0.752 218 L CB -1.913 40.160 42.059 0.023 0.000 0.891 218 L HN 0.200 nan 8.230 nan 0.000 0.432 219 P HA -0.180 nan 4.420 nan 0.000 0.217 219 P C 1.351 178.669 177.300 0.031 0.000 1.148 219 P CA 1.584 64.697 63.100 0.022 0.000 0.834 219 P CB 0.012 31.723 31.700 0.018 0.000 0.783 220 R N -2.121 118.406 120.500 0.045 0.000 2.225 220 R HA 0.161 4.502 4.340 0.001 0.000 0.194 220 R C 1.993 178.358 176.300 0.109 0.000 0.957 220 R CA -0.049 56.087 56.100 0.061 0.000 1.042 220 R CB -0.753 29.582 30.300 0.058 0.000 1.004 220 R HN 0.097 nan 8.270 nan 0.000 0.509 221 L N 0.162 121.452 121.223 0.113 0.000 2.141 221 L HA 0.081 4.421 4.340 0.001 0.000 0.209 221 L C 1.666 178.657 176.870 0.201 0.000 1.094 221 L CA 1.746 56.682 54.840 0.160 0.000 0.763 221 L CB -0.415 41.703 42.059 0.098 0.000 0.908 221 L HN 0.156 nan 8.230 nan 0.000 0.437 222 G N -0.607 108.255 108.800 0.102 0.000 2.985 222 G HA2 -0.030 3.931 3.960 0.001 0.000 0.209 222 G HA3 -0.030 3.931 3.960 0.001 0.000 0.209 222 G C 0.336 175.254 174.900 0.031 0.000 1.165 222 G CA 0.154 45.291 45.100 0.062 0.000 0.776 222 G HN 0.600 nan 8.290 nan 0.000 0.541 223 E N 0.648 120.861 120.200 0.021 0.000 2.338 223 E HA 0.454 4.804 4.350 0.001 0.000 0.272 223 E C -0.627 175.878 176.600 -0.158 0.000 1.029 223 E CA -0.514 55.854 56.400 -0.054 0.000 0.872 223 E CB 0.951 30.623 29.700 -0.047 0.000 1.015 223 E HN 0.056 nan 8.360 nan 0.000 0.417 224 L N 2.557 123.702 121.223 -0.130 0.000 2.342 224 L HA 0.497 4.838 4.340 0.001 0.000 0.271 224 L C 0.625 177.419 176.870 -0.128 0.000 1.008 224 L CA -0.942 53.810 54.840 -0.147 0.000 0.818 224 L CB 1.828 43.836 42.059 -0.084 0.000 1.296 224 L HN 0.835 nan 8.230 nan 0.000 0.427 225 A N 2.177 124.923 122.820 -0.123 0.000 2.195 225 A HA 0.138 4.459 4.320 0.001 0.000 0.210 225 A C 0.725 178.286 177.584 -0.038 0.000 1.165 225 A CA -0.025 51.961 52.037 -0.085 0.000 0.806 225 A CB -0.083 18.874 19.000 -0.072 0.000 0.847 225 A HN 0.549 nan 8.150 nan 0.000 0.482 226 I N 0.465 121.024 120.570 -0.018 0.000 2.826 226 I HA 0.291 4.462 4.170 0.001 0.000 0.295 226 I C 1.404 177.566 176.117 0.074 0.000 1.213 226 I CA 1.659 62.983 61.300 0.040 0.000 1.436 226 I CB 0.277 38.287 38.000 0.017 0.000 1.348 226 I HN 0.564 nan 8.210 nan 0.000 0.570 227 G N 4.380 113.284 108.800 0.174 0.000 2.238 227 G HA2 -0.220 3.741 3.960 0.001 0.000 0.217 227 G HA3 -0.220 3.741 3.960 0.001 0.000 0.217 227 G C 1.041 175.970 174.900 0.048 0.000 0.996 227 G CA 0.330 45.547 45.100 0.195 0.000 0.632 227 G HN 1.173 nan 8.290 nan 0.000 0.503 228 G N 0.581 109.375 108.800 -0.010 0.000 2.418 228 G HA2 0.301 4.261 3.960 0.001 0.000 0.217 228 G HA3 0.301 4.261 3.960 0.001 0.000 0.217 228 G C 1.678 176.548 174.900 -0.049 0.000 1.158 228 G CA 3.442 48.496 45.100 -0.077 0.000 0.771 228 G HN 2.264 nan 8.290 nan 0.000 0.545 229 T N -1.405 113.141 114.554 -0.014 0.000 14.138 229 T HA -0.369 3.982 4.350 0.001 0.000 0.419 229 T C 1.868 176.568 174.700 0.001 0.000 1.441 229 T CA 2.483 64.576 62.100 -0.011 0.000 2.333 229 T CB -1.494 67.355 68.868 -0.032 0.000 2.759 229 T HN 1.437 nan 8.240 nan 0.000 0.267 230 A N 1.099 123.923 122.820 0.006 0.000 1.930 230 A HA 0.428 4.748 4.320 0.001 0.000 0.215 230 A C 2.662 180.272 177.584 0.044 0.000 1.176 230 A CA 3.244 55.296 52.037 0.025 0.000 0.632 230 A CB -0.548 18.466 19.000 0.023 0.000 0.819 230 A HN 2.007 nan 8.150 nan 0.000 0.445 231 V N -5.942 114.003 119.914 0.052 0.000 3.398 231 V HA 0.619 4.740 4.120 0.001 0.000 0.298 231 V C 1.090 177.245 176.094 0.101 0.000 1.496 231 V CA 0.662 63.027 62.300 0.107 0.000 1.044 231 V CB -0.278 31.635 31.823 0.150 0.000 0.880 231 V HN 1.422 nan 8.190 nan 0.000 0.443 232 G N 1.299 110.057 108.800 -0.070 0.000 2.192 232 G HA2 -0.252 3.709 3.960 0.001 0.000 0.193 232 G HA3 -0.252 3.709 3.960 0.001 0.000 0.193 232 G C 0.826 175.388 174.900 -0.564 0.000 0.999 232 G CA 0.872 45.715 45.100 -0.429 0.000 0.659 232 G HN 0.983 nan 8.290 nan 0.000 0.503 233 T N -1.930 112.541 114.554 -0.138 0.000 3.054 233 T HA 0.417 4.768 4.350 0.001 0.000 0.259 233 T C 2.407 177.087 174.700 -0.033 0.000 1.092 233 T CA 1.751 63.848 62.100 -0.004 0.000 1.121 233 T CB 0.262 69.205 68.868 0.125 0.000 0.912 233 T HN 2.137 nan 8.240 nan 0.000 0.489 234 G N 1.103 109.872 108.800 -0.053 0.000 2.143 234 G HA2 -0.203 3.757 3.960 0.001 0.000 0.249 234 G HA3 -0.203 3.757 3.960 0.001 0.000 0.249 234 G C -0.073 174.810 174.900 -0.028 0.000 0.981 234 G CA 0.009 45.087 45.100 -0.037 0.000 0.665 234 G HN 0.741 nan 8.290 nan 0.000 0.528 235 L N 0.850 122.064 121.223 -0.015 0.000 2.601 235 L HA 0.397 4.738 4.340 0.001 0.000 0.277 235 L C 0.906 177.753 176.870 -0.039 0.000 1.219 235 L CA 1.468 56.300 54.840 -0.014 0.000 0.915 235 L CB -0.870 41.191 42.059 0.003 0.000 1.160 235 L HN 0.482 nan 8.230 nan 0.000 0.494 236 N N 1.891 120.564 118.700 -0.046 0.000 2.780 236 N HA -0.124 4.616 4.740 0.001 0.000 0.248 236 N C -0.718 174.719 175.510 -0.122 0.000 1.102 236 N CA 0.670 53.678 53.050 -0.070 0.000 0.697 236 N CB -1.096 37.354 38.487 -0.062 0.000 1.028 236 N HN 0.931 nan 8.380 nan 0.000 0.554 237 A N -0.544 122.201 122.820 -0.125 0.000 2.574 237 A HA 0.732 5.052 4.320 0.001 0.000 0.297 237 A C -2.680 174.837 177.584 -0.111 0.000 1.062 237 A CA -1.286 50.624 52.037 -0.210 0.000 0.686 237 A CB 1.303 20.141 19.000 -0.270 0.000 1.285 237 A HN -0.063 nan 8.150 nan 0.000 0.403 238 P HA 0.095 nan 4.420 nan 0.000 0.264 238 P C -0.256 177.080 177.300 0.060 0.000 1.179 238 P CA 0.430 63.541 63.100 0.018 0.000 0.763 238 P CB 0.503 32.264 31.700 0.102 0.000 0.806 239 D N 0.700 121.129 120.400 0.047 0.000 2.310 239 D HA -0.110 4.531 4.640 0.001 0.000 0.212 239 D C 0.535 176.873 176.300 0.062 0.000 0.965 239 D CA 1.242 55.268 54.000 0.044 0.000 0.879 239 D CB -0.232 40.585 40.800 0.029 0.000 0.921 239 D HN 0.507 nan 8.370 nan 0.000 0.510 240 D N -1.296 119.155 120.400 0.084 0.000 2.593 240 D HA -0.006 4.635 4.640 0.001 0.000 0.241 240 D C 1.055 177.418 176.300 0.105 0.000 1.257 240 D CA -0.561 53.482 54.000 0.072 0.000 0.828 240 D CB -0.808 40.016 40.800 0.040 0.000 1.049 240 D HN 0.037 nan 8.370 nan 0.000 0.490 241 F N 1.970 121.911 119.950 -0.015 0.000 2.075 241 F HA 0.062 4.590 4.527 0.001 0.000 0.297 241 F C 2.284 178.073 175.800 -0.018 0.000 1.113 241 F CA 2.092 60.084 58.000 -0.014 0.000 1.218 241 F CB -0.448 38.543 39.000 -0.014 0.000 0.984 241 F HN 0.131 nan 8.300 nan 0.000 0.472 242 G N 0.143 108.977 108.800 0.056 0.000 2.545 242 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 242 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 242 G C 1.823 176.656 174.900 -0.112 0.000 1.218 242 G CA 1.600 46.668 45.100 -0.054 0.000 0.787 242 G HN 0.332 nan 8.290 nan 0.000 0.571 243 V N 0.757 120.633 119.914 -0.063 0.000 2.380 243 V HA -0.253 3.868 4.120 0.001 0.000 0.251 243 V C 3.002 179.041 176.094 -0.091 0.000 1.063 243 V CA 2.398 64.660 62.300 -0.062 0.000 1.055 243 V CB -0.495 31.309 31.823 -0.032 0.000 0.657 243 V HN 0.351 nan 8.190 nan 0.000 0.455 244 R N -0.772 119.656 120.500 -0.120 0.000 2.066 244 R HA -0.091 4.250 4.340 0.001 0.000 0.232 244 R C 2.244 178.425 176.300 -0.199 0.000 1.131 244 R CA 1.350 57.366 56.100 -0.140 0.000 0.955 244 R CB -0.526 29.696 30.300 -0.130 0.000 0.851 244 R HN 0.406 nan 8.270 nan 0.000 0.432 245 V N 0.556 120.273 119.914 -0.327 0.000 2.295 245 V HA -0.226 3.895 4.120 0.001 0.000 0.246 245 V C 2.315 178.299 176.094 -0.184 0.000 1.049 245 V CA 1.663 63.767 62.300 -0.328 0.000 1.024 245 V CB -0.346 31.189 31.823 -0.480 0.000 0.648 245 V HN 0.136 nan 8.190 nan 0.000 0.447 246 V N 0.282 120.106 119.914 -0.150 0.000 2.407 246 V HA -0.255 3.866 4.120 0.001 0.000 0.248 246 V C 2.707 178.753 176.094 -0.081 0.000 1.055 246 V CA 1.914 64.155 62.300 -0.098 0.000 1.049 246 V CB -1.138 30.637 31.823 -0.079 0.000 0.662 246 V HN 0.565 nan 8.190 nan 0.000 0.455 247 A N -0.168 122.603 122.820 -0.082 0.000 1.908 247 A HA -0.175 4.145 4.320 0.001 0.000 0.218 247 A C 2.392 179.940 177.584 -0.060 0.000 1.181 247 A CA 2.190 54.190 52.037 -0.063 0.000 0.627 247 A CB -0.666 18.299 19.000 -0.058 0.000 0.818 247 A HN 0.354 nan 8.150 nan 0.000 0.445 248 V N -0.054 119.815 119.914 -0.075 0.000 2.358 248 V HA -0.244 3.877 4.120 0.001 0.000 0.246 248 V C 2.560 178.621 176.094 -0.055 0.000 1.047 248 V CA 1.905 64.167 62.300 -0.064 0.000 1.035 248 V CB -0.773 31.005 31.823 -0.074 0.000 0.658 248 V HN 0.564 nan 8.190 nan 0.000 0.452 249 L N -0.458 120.727 121.223 -0.063 0.000 2.046 249 L HA -0.158 4.183 4.340 0.001 0.000 0.208 249 L C 2.493 179.336 176.870 -0.045 0.000 1.077 249 L CA 1.182 55.990 54.840 -0.053 0.000 0.747 249 L CB -0.675 41.349 42.059 -0.058 0.000 0.896 249 L HN 0.183 nan 8.230 nan 0.000 0.432 250 V N 0.080 119.966 119.914 -0.046 0.000 2.332 250 V HA -0.327 3.794 4.120 0.001 0.000 0.248 250 V C 2.717 178.790 176.094 -0.036 0.000 1.055 250 V CA 1.942 64.218 62.300 -0.040 0.000 1.038 250 V CB -0.927 30.873 31.823 -0.038 0.000 0.651 250 V HN 0.506 nan 8.190 nan 0.000 0.450 251 A N -1.178 121.621 122.820 -0.035 0.000 1.930 251 A HA -0.229 4.092 4.320 0.001 0.000 0.217 251 A C 2.184 179.752 177.584 -0.027 0.000 1.175 251 A CA 1.663 53.682 52.037 -0.029 0.000 0.627 251 A CB -0.352 18.631 19.000 -0.028 0.000 0.815 251 A HN 0.626 nan 8.150 nan 0.000 0.443 252 Q N -0.952 118.830 119.800 -0.029 0.000 2.096 252 Q HA -0.086 4.254 4.340 0.001 0.000 0.197 252 Q C 2.254 178.239 176.000 -0.026 0.000 0.964 252 Q CA 1.797 57.585 55.803 -0.025 0.000 0.838 252 Q CB -0.160 28.564 28.738 -0.023 0.000 0.906 252 Q HN 0.853 nan 8.270 nan 0.000 0.444 253 T N -4.090 110.445 114.554 -0.031 0.000 3.044 253 T HA 0.209 4.560 4.350 0.001 0.000 0.255 253 T C 1.450 176.127 174.700 -0.038 0.000 1.073 253 T CA 0.649 62.729 62.100 -0.034 0.000 1.125 253 T CB 0.444 69.288 68.868 -0.039 0.000 0.908 253 T HN 0.411 nan 8.240 nan 0.000 0.480 254 G N 1.402 110.181 108.800 -0.036 0.000 2.148 254 G HA2 -0.202 3.759 3.960 0.001 0.000 0.254 254 G HA3 -0.202 3.759 3.960 0.001 0.000 0.254 254 G C -0.012 174.864 174.900 -0.041 0.000 0.981 254 G CA 0.171 45.249 45.100 -0.037 0.000 0.670 254 G HN 0.620 nan 8.290 nan 0.000 0.528 255 L N 2.350 123.547 121.223 -0.043 0.000 2.358 255 L HA 0.327 4.668 4.340 0.001 0.000 0.274 255 L C 2.002 178.850 176.870 -0.037 0.000 1.136 255 L CA 0.180 54.993 54.840 -0.044 0.000 0.970 255 L CB 0.930 42.960 42.059 -0.049 0.000 1.314 255 L HN 0.359 nan 8.230 nan 0.000 0.427 256 S N -0.161 115.519 115.700 -0.033 0.000 2.469 256 S HA -0.175 4.295 4.470 0.001 0.000 0.238 256 S C 1.371 175.956 174.600 -0.025 0.000 0.998 256 S CA 0.840 59.024 58.200 -0.028 0.000 0.957 256 S CB -0.062 63.123 63.200 -0.025 0.000 0.764 256 S HN 0.634 nan 8.310 nan 0.000 0.514 257 E N 1.108 121.293 120.200 -0.026 0.000 2.274 257 E HA 0.222 4.573 4.350 0.001 0.000 0.194 257 E C 0.338 176.929 176.600 -0.016 0.000 0.996 257 E CA 0.109 56.498 56.400 -0.018 0.000 0.840 257 E CB -0.314 29.375 29.700 -0.018 0.000 0.772 257 E HN 0.592 nan 8.360 nan 0.000 0.491 258 L N 2.074 123.283 121.223 -0.023 0.000 2.456 258 L HA 0.219 4.560 4.340 0.001 0.000 0.272 258 L C 0.513 177.367 176.870 -0.028 0.000 1.189 258 L CA 0.211 55.037 54.840 -0.024 0.000 0.846 258 L CB 0.228 42.267 42.059 -0.033 0.000 1.111 258 L HN 0.130 nan 8.230 nan 0.000 0.475 259 R N -0.015 120.467 120.500 -0.030 0.000 2.709 259 R HA 0.407 4.748 4.340 0.001 0.000 0.270 259 R C -0.971 175.304 176.300 -0.042 0.000 1.038 259 R CA -0.882 55.199 56.100 -0.033 0.000 0.872 259 R CB 0.833 31.119 30.300 -0.023 0.000 1.259 259 R HN 0.550 nan 8.270 nan 0.000 0.473 260 T N -0.244 114.285 114.554 -0.043 0.000 2.856 260 T HA 0.476 4.827 4.350 0.001 0.000 0.306 260 T C 0.807 175.480 174.700 -0.045 0.000 1.062 260 T CA -0.200 61.871 62.100 -0.048 0.000 1.083 260 T CB 0.906 69.749 68.868 -0.041 0.000 0.984 260 T HN 0.753 nan 8.240 nan 0.000 0.542 261 A N 1.333 124.119 122.820 -0.057 0.000 2.425 261 A HA 0.610 4.931 4.320 0.001 0.000 0.249 261 A C 1.783 179.349 177.584 -0.030 0.000 1.084 261 A CA -0.213 51.792 52.037 -0.052 0.000 0.781 261 A CB -0.452 18.505 19.000 -0.072 0.000 1.019 261 A HN 1.350 nan 8.150 nan 0.000 0.490 262 A N 1.811 124.623 122.820 -0.014 0.000 1.940 262 A HA -0.080 4.241 4.320 0.001 0.000 0.219 262 A C 1.112 178.704 177.584 0.013 0.000 1.176 262 A CA 1.777 53.815 52.037 0.002 0.000 0.631 262 A CB -0.266 18.739 19.000 0.010 0.000 0.814 262 A HN 0.848 nan 8.150 nan 0.000 0.446 263 N N -1.025 117.684 118.700 0.015 0.000 2.480 263 N HA 0.151 4.891 4.740 0.001 0.000 0.289 263 N C 0.479 175.989 175.510 -0.001 0.000 1.073 263 N CA 0.546 53.624 53.050 0.047 0.000 0.885 263 N CB 1.846 40.391 38.487 0.097 0.000 1.421 263 N HN 0.144 nan 8.380 nan 0.000 0.503 264 S N 2.584 118.225 115.700 -0.099 0.000 2.481 264 S HA 0.009 4.479 4.470 0.001 0.000 0.231 264 S C 1.293 175.688 174.600 -0.341 0.000 0.996 264 S CA 0.458 58.503 58.200 -0.259 0.000 0.942 264 S CB -0.381 62.594 63.200 -0.376 0.000 0.768 264 S HN 0.495 nan 8.310 nan 0.000 0.520 265 F N 1.947 121.908 119.950 0.018 0.000 2.179 265 F HA 0.237 4.765 4.527 0.001 0.000 0.292 265 F C 2.817 178.631 175.800 0.022 0.000 1.089 265 F CA 0.792 58.807 58.000 0.025 0.000 1.295 265 F CB -0.419 38.598 39.000 0.028 0.000 1.041 265 F HN 0.184 nan 8.300 nan 0.000 0.487 266 E N 1.326 121.641 120.200 0.192 0.000 2.209 266 E HA -0.195 4.155 4.350 0.001 0.000 0.196 266 E C 2.026 178.662 176.600 0.060 0.000 0.993 266 E CA 1.154 57.617 56.400 0.106 0.000 0.819 266 E CB -0.137 29.611 29.700 0.080 0.000 0.745 266 E HN 0.330 nan 8.360 nan 0.000 0.477 267 A N 0.105 122.938 122.820 0.022 0.000 2.206 267 A HA -0.041 4.279 4.320 0.001 0.000 0.211 267 A C 1.781 179.354 177.584 -0.018 0.000 1.158 267 A CA 0.629 52.648 52.037 -0.030 0.000 0.761 267 A CB 0.036 18.991 19.000 -0.076 0.000 0.801 267 A HN 0.278 nan 8.150 nan 0.000 0.473 268 Q N -2.060 117.755 119.800 0.024 0.000 2.342 268 Q HA 0.270 4.611 4.340 0.001 0.000 0.261 268 Q C 1.914 177.968 176.000 0.092 0.000 0.841 268 Q CA 0.560 56.393 55.803 0.050 0.000 0.969 268 Q CB 0.262 29.021 28.738 0.036 0.000 1.136 268 Q HN 0.514 nan 8.270 nan 0.000 0.528 269 A N 0.908 123.792 122.820 0.106 0.000 2.167 269 A HA 0.424 4.744 4.320 0.001 0.000 0.214 269 A C 0.883 178.522 177.584 0.091 0.000 1.151 269 A CA 0.988 53.092 52.037 0.113 0.000 0.735 269 A CB 0.107 19.181 19.000 0.123 0.000 0.802 269 A HN 0.270 nan 8.150 nan 0.000 0.467 270 A N -1.394 121.477 122.820 0.085 0.000 2.566 270 A HA 0.766 5.086 4.320 0.001 0.000 0.292 270 A C -0.203 177.441 177.584 0.101 0.000 1.112 270 A CA -0.696 51.387 52.037 0.077 0.000 0.707 270 A CB 0.947 19.980 19.000 0.054 0.000 1.302 270 A HN 0.005 nan 8.150 nan 0.000 0.409 271 R N 0.630 121.194 120.500 0.107 0.000 2.734 271 R HA 0.172 4.512 4.340 0.001 0.000 0.395 271 R C -0.709 175.665 176.300 0.123 0.000 1.096 271 R CA -0.207 55.985 56.100 0.153 0.000 1.071 271 R CB 0.334 30.728 30.300 0.157 0.000 1.348 271 R HN 0.759 nan 8.270 nan 0.000 0.600 272 D N -0.068 120.390 120.400 0.097 0.000 2.219 272 D HA -0.081 4.560 4.640 0.001 0.000 0.205 272 D C 1.811 178.161 176.300 0.082 0.000 0.970 272 D CA 1.392 55.433 54.000 0.068 0.000 0.851 272 D CB 0.120 40.948 40.800 0.047 0.000 0.943 272 D HN 0.401 nan 8.370 nan 0.000 0.488 273 G N 0.683 109.566 108.800 0.139 0.000 2.432 273 G HA2 -0.178 3.783 3.960 0.001 0.000 0.219 273 G HA3 -0.178 3.783 3.960 0.001 0.000 0.219 273 G C 1.713 176.662 174.900 0.081 0.000 1.135 273 G CA 0.223 45.414 45.100 0.151 0.000 0.767 273 G HN 0.261 nan 8.290 nan 0.000 0.550 274 L N 0.221 121.468 121.223 0.041 0.000 2.072 274 L HA -0.038 4.302 4.340 0.001 0.000 0.205 274 L C 2.946 179.820 176.870 0.006 0.000 1.079 274 L CA 0.354 55.178 54.840 -0.027 0.000 0.752 274 L CB -0.534 41.495 42.059 -0.050 0.000 0.906 274 L HN 0.073 nan 8.230 nan 0.000 0.436 275 V N 0.154 120.082 119.914 0.023 0.000 2.343 275 V HA -0.289 3.831 4.120 0.001 0.000 0.247 275 V C 2.502 178.600 176.094 0.008 0.000 1.051 275 V CA 2.012 64.320 62.300 0.014 0.000 1.036 275 V CB -0.507 31.326 31.823 0.015 0.000 0.654 275 V HN 0.522 nan 8.190 nan 0.000 0.451 276 E N 0.472 120.684 120.200 0.020 0.000 2.077 276 E HA -0.227 4.124 4.350 0.001 0.000 0.193 276 E C 2.233 178.840 176.600 0.012 0.000 0.989 276 E CA 1.426 57.838 56.400 0.019 0.000 0.800 276 E CB -0.210 29.510 29.700 0.033 0.000 0.746 276 E HN 0.549 nan 8.360 nan 0.000 0.452 277 A N 0.551 123.384 122.820 0.021 0.000 1.902 277 A HA -0.162 4.158 4.320 0.001 0.000 0.217 277 A C 2.350 179.898 177.584 -0.061 0.000 1.181 277 A CA 1.747 53.796 52.037 0.020 0.000 0.623 277 A CB -0.820 18.236 19.000 0.094 0.000 0.818 277 A HN 0.339 nan 8.150 nan 0.000 0.443 278 S N -0.533 115.127 115.700 -0.068 0.000 2.383 278 S HA -0.072 4.399 4.470 0.001 0.000 0.229 278 S C 2.032 176.584 174.600 -0.081 0.000 1.030 278 S CA 1.690 59.827 58.200 -0.104 0.000 1.002 278 S CB -0.691 62.471 63.200 -0.063 0.000 0.829 278 S HN 0.733 nan 8.310 nan 0.000 0.467 279 G N 0.649 109.422 108.800 -0.045 0.000 2.469 279 G HA2 -0.124 3.837 3.960 0.001 0.000 0.219 279 G HA3 -0.124 3.837 3.960 0.001 0.000 0.219 279 G C 1.605 176.482 174.900 -0.038 0.000 1.150 279 G CA 1.049 46.130 45.100 -0.032 0.000 0.763 279 G HN 0.681 nan 8.290 nan 0.000 0.561 280 A N 0.365 123.160 122.820 -0.042 0.000 1.929 280 A HA 0.222 4.542 4.320 0.001 0.000 0.216 280 A C 2.426 179.968 177.584 -0.069 0.000 1.176 280 A CA 0.983 52.998 52.037 -0.037 0.000 0.628 280 A CB -0.303 18.689 19.000 -0.013 0.000 0.816 280 A HN 0.337 nan 8.150 nan 0.000 0.444 281 L N -0.843 120.299 121.223 -0.134 0.000 2.046 281 L HA -0.183 4.157 4.340 0.001 0.000 0.208 281 L C 2.800 179.601 176.870 -0.114 0.000 1.077 281 L CA 1.811 56.543 54.840 -0.181 0.000 0.747 281 L CB -0.564 41.298 42.059 -0.328 0.000 0.896 281 L HN 0.488 nan 8.230 nan 0.000 0.432 282 R N -0.082 120.363 120.500 -0.092 0.000 2.096 282 R HA -0.147 4.194 4.340 0.001 0.000 0.235 282 R C 2.144 178.419 176.300 -0.041 0.000 1.127 282 R CA 1.891 57.955 56.100 -0.061 0.000 0.968 282 R CB -0.214 30.058 30.300 -0.046 0.000 0.861 282 R HN 0.230 nan 8.270 nan 0.000 0.440 283 T N 1.089 115.623 114.554 -0.034 0.000 2.867 283 T HA -0.054 4.296 4.350 0.001 0.000 0.268 283 T C 1.754 176.446 174.700 -0.013 0.000 1.057 283 T CA 1.294 63.383 62.100 -0.018 0.000 1.136 283 T CB -0.058 68.805 68.868 -0.010 0.000 0.874 283 T HN 0.221 nan 8.240 nan 0.000 0.466 284 I N 1.170 121.727 120.570 -0.021 0.000 2.315 284 I HA -0.110 4.060 4.170 0.001 0.000 0.248 284 I C 2.812 178.919 176.117 -0.017 0.000 1.117 284 I CA 0.835 62.129 61.300 -0.010 0.000 1.404 284 I CB -0.365 37.627 38.000 -0.012 0.000 1.071 284 I HN 0.172 nan 8.210 nan 0.000 0.419 285 A N 0.422 123.221 122.820 -0.035 0.000 1.930 285 A HA -0.131 4.190 4.320 0.001 0.000 0.217 285 A C 2.436 180.000 177.584 -0.033 0.000 1.175 285 A CA 1.505 53.517 52.037 -0.041 0.000 0.627 285 A CB -0.873 18.097 19.000 -0.050 0.000 0.815 285 A HN 0.220 nan 8.150 nan 0.000 0.443 286 V N 0.021 119.921 119.914 -0.024 0.000 2.287 286 V HA -0.253 3.867 4.120 0.001 0.000 0.248 286 V C 2.824 178.913 176.094 -0.010 0.000 1.053 286 V CA 2.434 64.725 62.300 -0.015 0.000 1.027 286 V CB -0.903 30.915 31.823 -0.009 0.000 0.646 286 V HN 0.575 nan 8.190 nan 0.000 0.447 287 S N 0.046 115.746 115.700 -0.000 0.000 2.359 287 S HA -0.147 4.323 4.470 0.001 0.000 0.224 287 S C 1.924 176.521 174.600 -0.004 0.000 1.035 287 S CA 1.616 59.823 58.200 0.012 0.000 1.018 287 S CB -0.433 62.786 63.200 0.032 0.000 0.876 287 S HN 0.455 nan 8.310 nan 0.000 0.448 288 L N 1.054 122.271 121.223 -0.009 0.000 2.079 288 L HA -0.151 4.189 4.340 0.001 0.000 0.210 288 L C 2.707 179.533 176.870 -0.073 0.000 1.081 288 L CA 1.235 56.058 54.840 -0.029 0.000 0.752 288 L CB -1.219 40.815 42.059 -0.042 0.000 0.896 288 L HN 0.324 nan 8.230 nan 0.000 0.433 289 T N -0.719 113.798 114.554 -0.062 0.000 2.684 289 T HA -0.217 4.134 4.350 0.001 0.000 0.267 289 T C 2.030 176.699 174.700 -0.051 0.000 1.036 289 T CA 1.190 63.254 62.100 -0.061 0.000 1.148 289 T CB -0.112 68.734 68.868 -0.038 0.000 0.863 289 T HN 0.140 nan 8.240 nan 0.000 0.436 290 K N 0.899 121.274 120.400 -0.041 0.000 2.009 290 K HA -0.033 4.287 4.320 0.001 0.000 0.210 290 K C 2.282 178.804 176.600 -0.130 0.000 1.049 290 K CA 1.350 57.612 56.287 -0.040 0.000 0.929 290 K CB -0.632 31.863 32.500 -0.009 0.000 0.714 290 K HN 0.370 nan 8.250 nan 0.000 0.440 291 I N 0.886 121.328 120.570 -0.214 0.000 2.127 291 I HA -0.296 3.874 4.170 0.001 0.000 0.241 291 I C 2.491 178.464 176.117 -0.241 0.000 1.075 291 I CA 1.493 62.512 61.300 -0.468 0.000 1.334 291 I CB -0.396 37.411 38.000 -0.321 0.000 1.040 291 I HN 0.132 nan 8.210 nan 0.000 0.405 292 A N 0.571 123.332 122.820 -0.098 0.000 1.933 292 A HA -0.199 4.122 4.320 0.001 0.000 0.218 292 A C 2.106 179.670 177.584 -0.035 0.000 1.175 292 A CA 1.791 53.782 52.037 -0.077 0.000 0.628 292 A CB -0.626 18.216 19.000 -0.263 0.000 0.814 292 A HN 0.421 nan 8.150 nan 0.000 0.444 293 N N 0.364 119.054 118.700 -0.017 0.000 2.106 293 N HA -0.121 4.619 4.740 0.001 0.000 0.188 293 N C 1.141 176.768 175.510 0.196 0.000 1.029 293 N CA 1.500 54.605 53.050 0.093 0.000 0.848 293 N CB -0.422 38.145 38.487 0.133 0.000 1.007 293 N HN 0.395 nan 8.380 nan 0.000 0.423 294 D N 0.917 121.374 120.400 0.095 0.000 2.123 294 D HA -0.077 4.564 4.640 0.001 0.000 0.196 294 D C 2.077 178.480 176.300 0.172 0.000 0.992 294 D CA 0.582 54.664 54.000 0.137 0.000 0.833 294 D CB -0.241 40.578 40.800 0.032 0.000 0.954 294 D HN 0.292 nan 8.370 nan 0.000 0.455 295 I N 0.885 121.507 120.570 0.087 0.000 2.315 295 I HA -0.224 3.947 4.170 0.001 0.000 0.248 295 I C 2.499 178.705 176.117 0.150 0.000 1.117 295 I CA 0.914 62.312 61.300 0.163 0.000 1.404 295 I CB -0.110 38.005 38.000 0.193 0.000 1.071 295 I HN 0.040 nan 8.210 nan 0.000 0.419 296 R N -0.032 120.514 120.500 0.076 0.000 2.115 296 R HA -0.138 4.203 4.340 0.001 0.000 0.226 296 R C 1.910 178.160 176.300 -0.083 0.000 1.100 296 R CA 0.969 57.049 56.100 -0.033 0.000 0.980 296 R CB -0.846 29.372 30.300 -0.138 0.000 0.875 296 R HN 0.300 nan 8.270 nan 0.000 0.445 297 W N 1.475 122.801 121.300 0.043 0.000 2.381 297 W HA 0.088 4.749 4.660 0.001 0.000 0.301 297 W C 2.369 178.924 176.519 0.061 0.000 1.205 297 W CA 0.837 58.208 57.345 0.044 0.000 1.285 297 W CB -0.073 29.409 29.460 0.037 0.000 1.133 297 W HN -0.023 nan 8.180 nan 0.000 0.521 298 M N -0.526 119.254 119.600 0.300 0.000 2.213 298 M HA -0.048 4.432 4.480 0.001 0.000 0.263 298 M C 2.052 178.449 176.300 0.162 0.000 1.062 298 M CA 1.765 57.201 55.300 0.227 0.000 1.105 298 M CB -0.832 31.910 32.600 0.237 0.000 1.385 298 M HN 0.118 nan 8.290 nan 0.000 0.417 299 G N -0.050 108.827 108.800 0.128 0.000 2.985 299 G HA2 0.039 3.999 3.960 0.001 0.000 0.209 299 G HA3 0.039 3.999 3.960 0.001 0.000 0.209 299 G C 0.439 175.364 174.900 0.042 0.000 1.165 299 G CA -0.074 45.075 45.100 0.080 0.000 0.776 299 G HN 0.502 nan 8.290 nan 0.000 0.541 300 S N 0.108 115.838 115.700 0.050 0.000 2.560 300 S HA 0.472 4.942 4.470 0.001 0.000 0.284 300 S C 0.816 175.422 174.600 0.010 0.000 1.327 300 S CA -0.155 58.037 58.200 -0.014 0.000 1.055 300 S CB 1.489 64.688 63.200 -0.002 0.000 0.868 300 S HN 0.357 nan 8.310 nan 0.000 0.506 301 G N 2.351 111.136 108.800 -0.025 0.000 2.441 301 G HA2 0.384 4.345 3.960 0.001 0.000 0.243 301 G HA3 0.384 4.345 3.960 0.001 0.000 0.243 301 G C -1.004 173.895 174.900 -0.001 0.000 1.281 301 G CA -1.339 43.751 45.100 -0.016 0.000 0.854 301 G HN 0.621 nan 8.290 nan 0.000 0.560 302 P HA -0.123 nan 4.420 nan 0.000 0.216 302 P C 1.796 179.085 177.300 -0.017 0.000 1.153 302 P CA 0.519 63.610 63.100 -0.016 0.000 0.848 302 P CB 0.308 31.992 31.700 -0.026 0.000 0.787 303 L N 0.123 121.340 121.223 -0.010 0.000 2.202 303 L HA 0.073 4.414 4.340 0.001 0.000 0.205 303 L C 2.016 178.896 176.870 0.016 0.000 1.083 303 L CA 2.219 57.056 54.840 -0.006 0.000 0.790 303 L CB -1.353 40.702 42.059 -0.006 0.000 0.942 303 L HN 0.027 nan 8.230 nan 0.000 0.452 304 T N -3.365 111.206 114.554 0.027 0.000 3.105 304 T HA 0.457 4.808 4.350 0.001 0.000 0.253 304 T C 0.791 175.539 174.700 0.080 0.000 1.047 304 T CA 0.084 62.212 62.100 0.047 0.000 0.944 304 T CB -0.177 68.715 68.868 0.041 0.000 1.016 304 T HN 0.312 nan 8.240 nan 0.000 0.544 305 G N 0.836 109.686 108.800 0.085 0.000 3.122 305 G HA2 0.553 4.514 3.960 0.001 0.000 0.180 305 G HA3 0.553 4.514 3.960 0.001 0.000 0.180 305 G C 0.010 174.999 174.900 0.149 0.000 1.279 305 G CA -0.712 44.473 45.100 0.142 0.000 0.987 305 G HN 0.123 nan 8.290 nan 0.000 0.589 306 L N 0.510 121.846 121.223 0.189 0.000 2.249 306 L HA 0.335 4.675 4.340 0.001 0.000 0.207 306 L C 2.430 179.398 176.870 0.163 0.000 1.090 306 L CA 1.208 56.156 54.840 0.180 0.000 0.802 306 L CB -0.956 41.227 42.059 0.207 0.000 0.947 306 L HN 1.022 nan 8.230 nan 0.000 0.453 307 A N -0.319 122.569 122.820 0.114 0.000 2.748 307 A HA -0.291 4.029 4.320 0.001 0.000 0.297 307 A C 1.634 179.276 177.584 0.097 0.000 1.508 307 A CA 1.197 53.268 52.037 0.057 0.000 0.799 307 A CB -1.914 17.060 19.000 -0.042 0.000 1.011 307 A HN 0.577 nan 8.150 nan 0.000 0.500 308 E N -0.893 119.380 120.200 0.121 0.000 2.170 308 E HA 0.170 4.521 4.350 0.001 0.000 0.191 308 E C 1.163 177.773 176.600 0.018 0.000 0.981 308 E CA 1.173 57.631 56.400 0.097 0.000 0.830 308 E CB 0.027 29.778 29.700 0.085 0.000 0.775 308 E HN 1.069 nan 8.360 nan 0.000 0.470 309 I N -2.333 118.261 120.570 0.041 0.000 3.174 309 I HA 0.392 4.563 4.170 0.001 0.000 0.313 309 I C -1.393 174.760 176.117 0.060 0.000 1.155 309 I CA -1.194 60.122 61.300 0.026 0.000 0.977 309 I CB 2.095 40.143 38.000 0.080 0.000 1.248 309 I HN -0.285 nan 8.210 nan 0.000 0.453 310 Q N 2.606 122.448 119.800 0.069 0.000 2.325 310 Q HA 0.537 4.878 4.340 0.001 0.000 0.270 310 Q C -1.512 174.541 176.000 0.089 0.000 1.020 310 Q CA -0.867 54.975 55.803 0.065 0.000 0.785 310 Q CB 2.735 31.498 28.738 0.043 0.000 1.259 310 Q HN 0.445 nan 8.270 nan 0.000 0.452 311 L N 4.738 126.010 121.223 0.082 0.000 2.397 311 L HA 0.324 4.664 4.340 0.001 0.000 0.271 311 L C -1.900 175.009 176.870 0.064 0.000 1.148 311 L CA -1.261 53.631 54.840 0.087 0.000 0.825 311 L CB -0.101 42.008 42.059 0.083 0.000 1.117 311 L HN 0.443 nan 8.230 nan 0.000 0.456 312 P HA 0.046 nan 4.420 nan 0.000 0.272 312 P C -0.840 176.484 177.300 0.040 0.000 1.223 312 P CA -0.459 62.669 63.100 0.045 0.000 0.784 312 P CB 0.706 32.431 31.700 0.041 0.000 0.923 313 D N 1.128 121.546 120.400 0.029 0.000 2.304 313 D HA 0.089 4.729 4.640 0.001 0.000 0.247 313 D C 1.398 177.712 176.300 0.024 0.000 1.089 313 D CA -0.343 53.671 54.000 0.024 0.000 0.910 313 D CB 1.059 41.869 40.800 0.017 0.000 1.199 313 D HN 0.245 nan 8.370 nan 0.000 0.426 314 L N 1.632 122.869 121.223 0.023 0.000 2.362 314 L HA -0.129 4.212 4.340 0.001 0.000 0.219 314 L C 0.571 177.451 176.870 0.016 0.000 1.134 314 L CA 0.903 55.756 54.840 0.022 0.000 0.807 314 L CB -0.150 41.921 42.059 0.021 0.000 0.927 314 L HN 0.210 nan 8.230 nan 0.000 0.447 315 Q N 0.141 119.949 119.800 0.014 0.000 2.626 315 Q HA 0.309 4.650 4.340 0.001 0.000 0.239 315 Q C -2.015 173.991 176.000 0.011 0.000 1.101 315 Q CA -1.491 54.318 55.803 0.011 0.000 0.918 315 Q CB 0.659 29.402 28.738 0.008 0.000 1.151 315 Q HN 0.048 nan 8.270 nan 0.000 0.531 324 K N 1.268 121.665 120.400 -0.005 0.000 2.637 324 K HA 0.585 4.905 4.320 0.001 0.000 0.248 324 K C -1.063 175.534 176.600 -0.006 0.000 0.971 324 K CA -0.517 55.765 56.287 -0.008 0.000 0.858 324 K CB 2.436 34.929 32.500 -0.011 0.000 1.170 324 K HN 0.074 nan 8.250 nan 0.000 0.443 325 V N 3.872 123.784 119.914 -0.003 0.000 2.398 325 V HA 0.264 4.384 4.120 0.001 0.000 0.286 325 V C -0.164 175.925 176.094 -0.007 0.000 1.026 325 V CA -1.097 61.203 62.300 0.001 0.000 0.868 325 V CB 1.443 33.273 31.823 0.012 0.000 0.982 325 V HN 0.708 nan 8.190 nan 0.000 0.443 326 N N 6.390 125.083 118.700 -0.013 0.000 2.513 326 N HA 0.235 4.976 4.740 0.001 0.000 0.268 326 N C -2.181 173.319 175.510 -0.017 0.000 1.180 326 N CA -1.427 51.608 53.050 -0.025 0.000 0.948 326 N CB 1.034 39.504 38.487 -0.028 0.000 1.083 326 N HN 0.427 nan 8.380 nan 0.000 0.455 327 P HA 0.085 nan 4.420 nan 0.000 0.225 327 P C 0.652 177.941 177.300 -0.018 0.000 1.813 327 P CA -0.107 62.986 63.100 -0.013 0.000 1.013 327 P CB 0.087 31.764 31.700 -0.040 0.000 1.961 328 V N 1.444 121.354 119.914 -0.005 0.000 2.343 328 V HA -0.214 3.907 4.120 0.001 0.000 0.247 328 V C 2.312 178.394 176.094 -0.020 0.000 1.051 328 V CA 1.470 63.761 62.300 -0.015 0.000 1.036 328 V CB -0.809 31.012 31.823 -0.004 0.000 0.654 328 V HN 0.234 nan 8.190 nan 0.000 0.451 329 L N -0.051 121.180 121.223 0.014 0.000 2.056 329 L HA -0.016 4.324 4.340 0.001 0.000 0.207 329 L C 0.011 176.805 176.870 -0.127 0.000 1.078 329 L CA 2.171 57.015 54.840 0.008 0.000 0.749 329 L CB -2.115 40.035 42.059 0.152 0.000 0.901 329 L HN 0.283 nan 8.230 nan 0.000 0.433 330 P HA -0.162 nan 4.420 nan 0.000 0.218 330 P C 1.396 178.585 177.300 -0.186 0.000 1.148 330 P CA 1.239 64.215 63.100 -0.207 0.000 0.822 330 P CB 0.104 31.763 31.700 -0.070 0.000 0.784 331 E N -0.618 119.508 120.200 -0.123 0.000 2.106 331 E HA -0.121 4.230 4.350 0.001 0.000 0.192 331 E C 2.086 178.621 176.600 -0.109 0.000 0.984 331 E CA 1.079 57.416 56.400 -0.106 0.000 0.806 331 E CB -0.497 29.156 29.700 -0.079 0.000 0.750 331 E HN 0.138 nan 8.360 nan 0.000 0.458 332 A N 0.880 123.633 122.820 -0.111 0.000 1.858 332 A HA -0.167 4.153 4.320 0.001 0.000 0.216 332 A C 2.505 180.000 177.584 -0.147 0.000 1.190 332 A CA 1.333 53.307 52.037 -0.105 0.000 0.617 332 A CB -0.810 18.142 19.000 -0.081 0.000 0.827 332 A HN 0.119 nan 8.150 nan 0.000 0.443 333 V N 0.762 120.528 119.914 -0.247 0.000 2.255 333 V HA -0.290 3.830 4.120 0.001 0.000 0.247 333 V C 3.042 179.015 176.094 -0.201 0.000 1.051 333 V CA 2.663 64.783 62.300 -0.300 0.000 1.018 333 V CB -1.642 29.820 31.823 -0.600 0.000 0.641 333 V HN 0.856 nan 8.190 nan 0.000 0.445 334 T N -2.066 112.380 114.554 -0.181 0.000 2.867 334 T HA -0.243 4.107 4.350 0.001 0.000 0.268 334 T C 1.787 176.436 174.700 -0.086 0.000 1.057 334 T CA 1.533 63.562 62.100 -0.119 0.000 1.136 334 T CB -0.359 68.450 68.868 -0.098 0.000 0.874 334 T HN 0.547 nan 8.240 nan 0.000 0.466 335 Q N 0.457 120.206 119.800 -0.084 0.000 2.084 335 Q HA -0.037 4.303 4.340 0.001 0.000 0.202 335 Q C 2.636 178.600 176.000 -0.059 0.000 0.978 335 Q CA 1.465 57.231 55.803 -0.062 0.000 0.844 335 Q CB -0.476 28.228 28.738 -0.056 0.000 0.898 335 Q HN 0.424 nan 8.270 nan 0.000 0.426 336 V N 1.020 120.892 119.914 -0.070 0.000 2.332 336 V HA -0.308 3.813 4.120 0.001 0.000 0.248 336 V C 2.283 178.340 176.094 -0.061 0.000 1.055 336 V CA 1.891 64.153 62.300 -0.062 0.000 1.038 336 V CB -0.934 30.848 31.823 -0.068 0.000 0.651 336 V HN 0.420 nan 8.190 nan 0.000 0.450 337 A N -0.161 122.616 122.820 -0.071 0.000 1.908 337 A HA -0.161 4.159 4.320 0.001 0.000 0.218 337 A C 2.426 179.981 177.584 -0.049 0.000 1.181 337 A CA 2.163 54.163 52.037 -0.062 0.000 0.627 337 A CB -0.794 18.166 19.000 -0.066 0.000 0.818 337 A HN 0.599 nan 8.150 nan 0.000 0.445 338 A N -1.076 121.717 122.820 -0.046 0.000 1.933 338 A HA -0.210 4.110 4.320 0.001 0.000 0.218 338 A C 2.150 179.714 177.584 -0.033 0.000 1.175 338 A CA 2.148 54.164 52.037 -0.035 0.000 0.628 338 A CB -0.484 18.497 19.000 -0.032 0.000 0.814 338 A HN 0.544 nan 8.150 nan 0.000 0.444 339 Q N -0.274 119.505 119.800 -0.035 0.000 2.119 339 Q HA -0.070 4.270 4.340 0.001 0.000 0.201 339 Q C 1.869 177.848 176.000 -0.035 0.000 0.972 339 Q CA 1.880 57.665 55.803 -0.031 0.000 0.847 339 Q CB -0.493 28.227 28.738 -0.029 0.000 0.903 339 Q HN 0.344 nan 8.270 nan 0.000 0.433 340 V N 0.270 120.156 119.914 -0.046 0.000 2.343 340 V HA -0.251 3.870 4.120 0.001 0.000 0.247 340 V C 2.161 178.225 176.094 -0.050 0.000 1.051 340 V CA 1.749 64.013 62.300 -0.060 0.000 1.036 340 V CB -0.481 31.296 31.823 -0.076 0.000 0.654 340 V HN 0.374 nan 8.190 nan 0.000 0.451 341 I N 0.533 121.079 120.570 -0.040 0.000 2.226 341 I HA -0.152 4.019 4.170 0.001 0.000 0.245 341 I C 2.538 178.644 176.117 -0.019 0.000 1.100 341 I CA 1.686 62.969 61.300 -0.028 0.000 1.374 341 I CB -0.758 37.228 38.000 -0.023 0.000 1.057 341 I HN 0.379 nan 8.210 nan 0.000 0.413 342 G N 0.533 109.321 108.800 -0.019 0.000 2.433 342 G HA2 -0.267 3.693 3.960 0.001 0.000 0.216 342 G HA3 -0.267 3.693 3.960 0.001 0.000 0.216 342 G C 1.419 176.313 174.900 -0.010 0.000 1.186 342 G CA 0.844 45.935 45.100 -0.015 0.000 0.779 342 G HN 0.291 nan 8.290 nan 0.000 0.543 343 N N 0.848 119.539 118.700 -0.014 0.000 2.149 343 N HA -0.105 4.636 4.740 0.001 0.000 0.188 343 N C 1.781 177.288 175.510 -0.006 0.000 1.019 343 N CA 1.527 54.571 53.050 -0.009 0.000 0.857 343 N CB -0.446 38.028 38.487 -0.023 0.000 0.997 343 N HN 0.533 nan 8.380 nan 0.000 0.426 344 D N -0.167 120.222 120.400 -0.017 0.000 2.224 344 D HA 0.035 4.676 4.640 0.001 0.000 0.205 344 D C 1.692 178.002 176.300 0.017 0.000 0.965 344 D CA 0.970 54.962 54.000 -0.013 0.000 0.852 344 D CB 0.015 40.797 40.800 -0.030 0.000 0.947 344 D HN 0.240 nan 8.370 nan 0.000 0.494 345 A N 0.401 123.235 122.820 0.024 0.000 1.929 345 A HA 0.148 4.469 4.320 0.001 0.000 0.216 345 A C 2.362 180.001 177.584 0.092 0.000 1.176 345 A CA 1.561 53.632 52.037 0.058 0.000 0.628 345 A CB -0.904 18.122 19.000 0.044 0.000 0.816 345 A HN 0.324 nan 8.150 nan 0.000 0.444 346 A N -0.173 122.679 122.820 0.054 0.000 1.969 346 A HA -0.017 4.304 4.320 0.001 0.000 0.218 346 A C 2.050 179.704 177.584 0.117 0.000 1.169 346 A CA 1.390 53.468 52.037 0.068 0.000 0.635 346 A CB -0.544 18.478 19.000 0.038 0.000 0.810 346 A HN 0.476 nan 8.150 nan 0.000 0.445 347 I N -0.275 120.342 120.570 0.079 0.000 2.252 347 I HA -0.246 3.925 4.170 0.001 0.000 0.245 347 I C 2.916 179.073 176.117 0.067 0.000 1.102 347 I CA 1.068 62.409 61.300 0.067 0.000 1.385 347 I CB -0.217 37.801 38.000 0.031 0.000 1.064 347 I HN 0.331 nan 8.210 nan 0.000 0.414 348 A N 0.370 123.232 122.820 0.070 0.000 1.930 348 A HA -0.244 4.077 4.320 0.001 0.000 0.217 348 A C 2.252 179.861 177.584 0.043 0.000 1.175 348 A CA 1.131 53.195 52.037 0.045 0.000 0.627 348 A CB -1.021 18.005 19.000 0.043 0.000 0.815 348 A HN 0.702 nan 8.150 nan 0.000 0.443 349 W N 0.816 122.061 121.300 -0.091 0.000 2.355 349 W HA -0.132 4.529 4.660 0.001 0.000 0.309 349 W C 2.046 178.392 176.519 -0.289 0.000 1.206 349 W CA 1.935 59.198 57.345 -0.137 0.000 1.284 349 W CB -0.718 28.690 29.460 -0.087 0.000 1.145 349 W HN 0.343 nan 8.180 nan 0.000 0.502 350 G N 0.137 108.945 108.800 0.012 0.000 2.421 350 G HA2 -0.157 3.803 3.960 0.001 0.000 0.217 350 G HA3 -0.157 3.803 3.960 0.001 0.000 0.217 350 G C 1.723 176.453 174.900 -0.284 0.000 1.143 350 G CA 1.034 45.917 45.100 -0.361 0.000 0.784 350 G HN 0.408 nan 8.290 nan 0.000 0.541 351 G N 0.999 109.741 108.800 -0.097 0.000 2.422 351 G HA2 0.071 4.031 3.960 0.001 0.000 0.218 351 G HA3 0.071 4.031 3.960 0.001 0.000 0.218 351 G C 1.885 176.724 174.900 -0.101 0.000 1.146 351 G CA 1.346 46.417 45.100 -0.049 0.000 0.769 351 G HN 0.609 nan 8.290 nan 0.000 0.547 352 A N 0.312 123.021 122.820 -0.184 0.000 2.119 352 A HA 0.126 4.446 4.320 0.001 0.000 0.216 352 A C 1.725 179.179 177.584 -0.216 0.000 1.152 352 A CA 0.722 52.639 52.037 -0.200 0.000 0.708 352 A CB -0.015 18.829 19.000 -0.259 0.000 0.805 352 A HN 0.305 nan 8.150 nan 0.000 0.460 353 N N 0.474 119.007 118.700 -0.279 0.000 2.275 353 N HA 0.136 4.876 4.740 0.001 0.000 0.236 353 N C 0.716 176.268 175.510 0.069 0.000 1.154 353 N CA 0.445 53.384 53.050 -0.185 0.000 0.866 353 N CB 0.551 38.845 38.487 -0.321 0.000 1.093 353 N HN 0.378 nan 8.380 nan 0.000 0.515 354 G N 0.388 109.228 108.800 0.067 0.000 2.699 354 G HA2 0.433 4.393 3.960 0.001 0.000 0.246 354 G HA3 0.433 4.393 3.960 0.001 0.000 0.246 354 G C -0.519 174.428 174.900 0.080 0.000 1.219 354 G CA -0.163 45.020 45.100 0.138 0.000 0.866 354 G HN 0.217 nan 8.290 nan 0.000 0.572 355 A N -0.245 122.641 122.820 0.110 0.000 2.442 355 A HA 0.717 5.038 4.320 0.001 0.000 0.284 355 A C -0.084 177.628 177.584 0.214 0.000 1.058 355 A CA -0.479 51.609 52.037 0.085 0.000 0.738 355 A CB 0.411 19.560 19.000 0.248 0.000 1.242 355 A HN 1.232 nan 8.150 nan 0.000 0.421 356 F N 0.198 120.178 119.950 0.050 0.000 2.192 356 F HA -0.353 4.174 4.527 0.001 0.000 0.317 356 F C 1.972 177.815 175.800 0.071 0.000 1.454 356 F CA 1.924 59.953 58.000 0.048 0.000 0.932 356 F CB -0.589 38.435 39.000 0.040 0.000 4.108 356 F HN 0.631 nan 8.300 nan 0.000 0.138 357 E N 1.016 121.404 120.200 0.314 0.000 2.511 357 E HA 0.252 4.603 4.350 0.001 0.000 0.196 357 E C 0.017 176.722 176.600 0.175 0.000 1.066 357 E CA 0.680 57.216 56.400 0.226 0.000 0.871 357 E CB 0.082 29.914 29.700 0.219 0.000 0.863 357 E HN 0.366 nan 8.360 nan 0.000 0.520 358 L N 1.520 122.845 121.223 0.170 0.000 2.505 358 L HA 0.337 4.677 4.340 0.001 0.000 0.266 358 L C -1.327 175.630 176.870 0.146 0.000 0.954 358 L CA -0.572 54.351 54.840 0.139 0.000 0.852 358 L CB 2.080 44.209 42.059 0.117 0.000 1.282 358 L HN -0.199 nan 8.230 nan 0.000 0.403 359 N N 3.597 122.385 118.700 0.146 0.000 2.422 359 N HA 0.246 4.986 4.740 0.001 0.000 0.264 359 N C 0.028 175.649 175.510 0.185 0.000 1.063 359 N CA -0.020 53.143 53.050 0.189 0.000 0.959 359 N CB 1.639 40.236 38.487 0.184 0.000 1.087 359 N HN 0.554 nan 8.380 nan 0.000 0.483 360 V N 2.467 122.490 119.914 0.182 0.000 2.993 360 V HA 0.333 4.454 4.120 0.001 0.000 0.377 360 V C -0.474 175.519 176.094 -0.169 0.000 1.318 360 V CA -0.237 62.062 62.300 -0.002 0.000 1.312 360 V CB -1.305 30.469 31.823 -0.083 0.000 1.342 360 V HN 0.497 nan 8.190 nan 0.000 0.544 361 Y N -0.639 119.708 120.300 0.078 0.000 2.660 361 Y HA 0.510 5.061 4.550 0.001 0.000 0.254 361 Y C 1.650 177.598 175.900 0.079 0.000 1.176 361 Y CA -0.554 57.598 58.100 0.086 0.000 1.195 361 Y CB 0.124 38.656 38.460 0.119 0.000 1.190 361 Y HN 0.258 nan 8.280 nan 0.000 0.535 362 I N 0.809 121.491 120.570 0.186 0.000 2.226 362 I HA -0.172 3.998 4.170 0.001 0.000 0.245 362 I C -0.633 175.626 176.117 0.237 0.000 1.100 362 I CA 0.977 62.416 61.300 0.230 0.000 1.374 362 I CB -1.300 36.889 38.000 0.315 0.000 1.057 362 I HN 0.103 nan 8.210 nan 0.000 0.413 363 P HA -0.205 nan 4.420 nan 0.000 0.215 363 P C 1.904 179.172 177.300 -0.053 0.000 1.153 363 P CA 1.404 64.536 63.100 0.055 0.000 0.853 363 P CB -0.140 31.425 31.700 -0.224 0.000 0.788 364 M N -1.200 118.352 119.600 -0.081 0.000 2.086 364 M HA -0.128 4.353 4.480 0.001 0.000 0.261 364 M C 1.936 178.253 176.300 0.028 0.000 1.067 364 M CA 2.024 57.277 55.300 -0.079 0.000 1.116 364 M CB -1.030 31.633 32.600 0.105 0.000 1.348 364 M HN -0.070 nan 8.290 nan 0.000 0.407 365 M N -0.188 119.472 119.600 0.100 0.000 2.117 365 M HA -0.162 4.319 4.480 0.001 0.000 0.262 365 M C 2.291 178.620 176.300 0.047 0.000 1.065 365 M CA 1.871 57.223 55.300 0.087 0.000 1.114 365 M CB -0.763 31.906 32.600 0.115 0.000 1.361 365 M HN 0.411 nan 8.290 nan 0.000 0.408 366 A N 0.567 123.419 122.820 0.054 0.000 1.877 366 A HA -0.211 4.110 4.320 0.001 0.000 0.216 366 A C 2.194 179.778 177.584 -0.000 0.000 1.186 366 A CA 1.977 54.023 52.037 0.015 0.000 0.620 366 A CB -0.848 18.162 19.000 0.016 0.000 0.822 366 A HN 0.500 nan 8.150 nan 0.000 0.443 367 R N -0.154 120.337 120.500 -0.016 0.000 2.096 367 R HA -0.182 4.159 4.340 0.001 0.000 0.240 367 R C 1.789 178.081 176.300 -0.013 0.000 1.139 367 R CA 1.952 58.029 56.100 -0.038 0.000 0.952 367 R CB -0.461 29.773 30.300 -0.109 0.000 0.854 367 R HN 0.604 nan 8.270 nan 0.000 0.436 368 N N 0.602 119.300 118.700 -0.002 0.000 2.171 368 N HA -0.157 4.584 4.740 0.001 0.000 0.184 368 N C 1.961 177.470 175.510 -0.001 0.000 1.021 368 N CA 1.329 54.382 53.050 0.004 0.000 0.854 368 N CB -0.126 38.370 38.487 0.015 0.000 0.994 368 N HN 0.307 nan 8.380 nan 0.000 0.426 369 I N 1.243 121.821 120.570 0.012 0.000 2.353 369 I HA -0.154 4.017 4.170 0.001 0.000 0.248 369 I C 2.000 178.193 176.117 0.128 0.000 1.119 369 I CA 0.687 62.000 61.300 0.022 0.000 1.417 369 I CB 0.126 38.156 38.000 0.049 0.000 1.078 369 I HN 0.026 nan 8.210 nan 0.000 0.421 370 L N 0.258 121.553 121.223 0.121 0.000 2.056 370 L HA -0.195 4.145 4.340 0.001 0.000 0.207 370 L C 2.494 179.429 176.870 0.109 0.000 1.078 370 L CA 1.525 56.453 54.840 0.148 0.000 0.749 370 L CB -0.711 41.370 42.059 0.036 0.000 0.901 370 L HN 0.331 nan 8.230 nan 0.000 0.433 371 E N 0.130 120.357 120.200 0.044 0.000 2.051 371 E HA -0.213 4.138 4.350 0.001 0.000 0.192 371 E C 2.232 178.840 176.600 0.013 0.000 0.991 371 E CA 1.568 57.980 56.400 0.021 0.000 0.799 371 E CB 0.096 29.798 29.700 0.003 0.000 0.748 371 E HN 0.321 nan 8.360 nan 0.000 0.449 372 S N -0.025 115.661 115.700 -0.023 0.000 2.365 372 S HA -0.169 4.301 4.470 0.001 0.000 0.225 372 S C 1.551 176.087 174.600 -0.106 0.000 1.039 372 S CA 1.377 59.518 58.200 -0.098 0.000 1.033 372 S CB -0.445 62.643 63.200 -0.186 0.000 0.887 372 S HN 0.289 nan 8.310 nan 0.000 0.447 373 F N 1.775 121.710 119.950 -0.025 0.000 2.095 373 F HA -0.091 4.436 4.527 0.001 0.000 0.298 373 F C 2.385 178.171 175.800 -0.022 0.000 1.104 373 F CA 1.414 59.403 58.000 -0.019 0.000 1.232 373 F CB -0.452 38.535 39.000 -0.023 0.000 0.987 373 F HN 0.111 nan 8.300 nan 0.000 0.475 374 K N 0.665 121.158 120.400 0.155 0.000 2.009 374 K HA -0.190 4.130 4.320 0.001 0.000 0.210 374 K C 2.099 178.720 176.600 0.035 0.000 1.049 374 K CA 1.608 57.928 56.287 0.056 0.000 0.929 374 K CB -0.485 32.023 32.500 0.014 0.000 0.714 374 K HN 0.261 nan 8.250 nan 0.000 0.440 375 L N 0.963 122.197 121.223 0.019 0.000 2.012 375 L HA -0.215 4.125 4.340 0.001 0.000 0.210 375 L C 2.563 179.436 176.870 0.005 0.000 1.073 375 L CA 1.144 55.984 54.840 0.001 0.000 0.748 375 L CB -0.472 41.577 42.059 -0.017 0.000 0.891 375 L HN 0.251 nan 8.230 nan 0.000 0.431 376 L N -0.899 120.328 121.223 0.007 0.000 2.093 376 L HA -0.166 4.174 4.340 0.001 0.000 0.208 376 L C 2.650 179.553 176.870 0.056 0.000 1.085 376 L CA 1.245 56.094 54.840 0.015 0.000 0.755 376 L CB -0.729 41.324 42.059 -0.010 0.000 0.904 376 L HN 0.285 nan 8.230 nan 0.000 0.435 377 T N -0.342 114.261 114.554 0.082 0.000 2.643 377 T HA -0.150 4.201 4.350 0.001 0.000 0.264 377 T C 1.707 176.451 174.700 0.073 0.000 1.045 377 T CA 1.583 63.742 62.100 0.098 0.000 1.155 377 T CB -0.213 68.723 68.868 0.113 0.000 0.863 377 T HN 0.298 nan 8.240 nan 0.000 0.420 378 N N 0.717 119.446 118.700 0.049 0.000 2.106 378 N HA -0.033 4.707 4.740 0.001 0.000 0.188 378 N C 1.947 177.485 175.510 0.046 0.000 1.029 378 N CA 0.619 53.693 53.050 0.040 0.000 0.848 378 N CB -0.902 37.596 38.487 0.019 0.000 1.007 378 N HN 0.124 nan 8.380 nan 0.000 0.423 379 V N 0.828 120.763 119.914 0.034 0.000 2.626 379 V HA -0.137 3.983 4.120 0.001 0.000 0.252 379 V C 2.055 178.203 176.094 0.090 0.000 1.067 379 V CA 1.391 63.710 62.300 0.031 0.000 1.081 379 V CB -0.398 31.410 31.823 -0.024 0.000 0.686 379 V HN 0.234 nan 8.190 nan 0.000 0.468 380 S N -0.368 115.392 115.700 0.100 0.000 2.368 380 S HA -0.147 4.324 4.470 0.001 0.000 0.224 380 S C 1.967 176.658 174.600 0.152 0.000 1.029 380 S CA 1.470 59.762 58.200 0.153 0.000 0.988 380 S CB -0.219 63.054 63.200 0.122 0.000 0.838 380 S HN 0.605 nan 8.310 nan 0.000 0.462 381 R N 0.433 120.998 120.500 0.109 0.000 2.073 381 R HA -0.025 4.315 4.340 0.001 0.000 0.234 381 R C 2.136 178.494 176.300 0.096 0.000 1.134 381 R CA 1.034 57.187 56.100 0.088 0.000 0.952 381 R CB -0.619 29.722 30.300 0.069 0.000 0.850 381 R HN 0.228 nan 8.270 nan 0.000 0.433 382 L N 0.109 121.396 121.223 0.106 0.000 2.012 382 L HA -0.195 4.146 4.340 0.001 0.000 0.210 382 L C 2.189 179.169 176.870 0.184 0.000 1.073 382 L CA 1.614 56.522 54.840 0.113 0.000 0.748 382 L CB -0.748 41.367 42.059 0.092 0.000 0.891 382 L HN 0.073 nan 8.230 nan 0.000 0.431 383 F N 0.150 120.110 119.950 0.016 0.000 2.095 383 F HA -0.237 4.291 4.527 0.001 0.000 0.298 383 F C 2.366 178.182 175.800 0.027 0.000 1.104 383 F CA 1.216 59.227 58.000 0.018 0.000 1.232 383 F CB -0.914 38.093 39.000 0.012 0.000 0.987 383 F HN 0.110 nan 8.300 nan 0.000 0.475 384 A N -0.331 122.505 122.820 0.027 0.000 1.877 384 A HA -0.224 4.097 4.320 0.001 0.000 0.216 384 A C 2.134 179.684 177.584 -0.057 0.000 1.186 384 A CA 1.926 53.915 52.037 -0.080 0.000 0.620 384 A CB -0.721 18.273 19.000 -0.010 0.000 0.822 384 A HN 0.590 nan 8.150 nan 0.000 0.443 385 Q N -1.414 118.386 119.800 0.001 0.000 2.204 385 Q HA 0.084 4.425 4.340 0.001 0.000 0.198 385 Q C 1.671 177.675 176.000 0.006 0.000 0.946 385 Q CA 0.760 56.564 55.803 0.001 0.000 0.859 385 Q CB 0.131 28.880 28.738 0.018 0.000 0.946 385 Q HN 0.550 nan 8.270 nan 0.000 0.474 386 R N -1.298 119.222 120.500 0.033 0.000 2.432 386 R HA 0.222 4.562 4.340 0.001 0.000 0.260 386 R C 0.895 177.229 176.300 0.057 0.000 0.935 386 R CA -0.048 56.078 56.100 0.044 0.000 1.080 386 R CB 0.650 30.984 30.300 0.057 0.000 1.155 386 R HN 0.193 nan 8.270 nan 0.000 0.531 387 C N -0.926 118.396 119.300 0.037 0.000 3.024 387 C HA 0.213 4.673 4.460 0.001 0.000 0.344 387 C C 2.039 177.002 174.990 -0.046 0.000 2.031 387 C CA -0.230 58.815 59.018 0.044 0.000 1.998 387 C CB -0.285 27.564 27.740 0.182 0.000 1.929 387 C HN 0.188 nan 8.230 nan 0.000 0.660 388 I N 2.957 123.405 120.570 -0.204 0.000 2.118 388 I HA -0.142 4.029 4.170 0.001 0.000 0.241 388 I C 2.893 178.931 176.117 -0.131 0.000 1.070 388 I CA 2.390 63.577 61.300 -0.188 0.000 1.327 388 I CB -1.903 35.924 38.000 -0.289 0.000 1.034 388 I HN 0.527 nan 8.210 nan 0.000 0.405 389 A N 0.733 123.481 122.820 -0.119 0.000 1.948 389 A HA -0.142 4.179 4.320 0.001 0.000 0.220 389 A C 2.268 179.800 177.584 -0.087 0.000 1.177 389 A CA 2.085 54.057 52.037 -0.109 0.000 0.636 389 A CB -1.282 17.674 19.000 -0.073 0.000 0.815 389 A HN 0.510 nan 8.150 nan 0.000 0.449 390 G N -1.155 107.620 108.800 -0.040 0.000 3.284 390 G HA2 0.430 4.390 3.960 0.001 0.000 0.236 390 G HA3 0.430 4.390 3.960 0.001 0.000 0.236 390 G C 0.323 175.245 174.900 0.037 0.000 1.158 390 G CA -0.465 44.633 45.100 -0.004 0.000 0.774 390 G HN 0.367 nan 8.290 nan 0.000 0.545 391 L N 1.851 123.103 121.223 0.048 0.000 2.439 391 L HA 0.379 4.720 4.340 0.001 0.000 0.269 391 L C 0.734 177.766 176.870 0.270 0.000 1.179 391 L CA -0.109 54.834 54.840 0.172 0.000 0.828 391 L CB 1.029 43.249 42.059 0.268 0.000 1.106 391 L HN 0.134 nan 8.230 nan 0.000 0.467 392 T N -0.305 114.408 114.554 0.265 0.000 2.876 392 T HA 0.744 5.095 4.350 0.001 0.000 0.289 392 T C -0.438 174.324 174.700 0.104 0.000 1.014 392 T CA -0.869 61.388 62.100 0.261 0.000 0.986 392 T CB 1.927 70.873 68.868 0.131 0.000 1.021 392 T HN 0.664 nan 8.240 nan 0.000 0.458 393 A N 2.892 125.670 122.820 -0.069 0.000 2.301 393 A HA 0.592 4.912 4.320 0.001 0.000 0.312 393 A C 0.351 177.812 177.584 -0.204 0.000 1.182 393 A CA -0.937 50.840 52.037 -0.434 0.000 0.826 393 A CB 0.162 18.485 19.000 -1.129 0.000 1.134 393 A HN 0.812 nan 8.150 nan 0.000 0.501 394 N N 2.908 121.522 118.700 -0.144 0.000 3.050 394 N HA 0.119 4.859 4.740 0.001 0.000 0.289 394 N C 1.353 176.833 175.510 -0.051 0.000 1.209 394 N CA -0.038 52.981 53.050 -0.052 0.000 1.154 394 N CB 0.786 39.282 38.487 0.015 0.000 1.444 394 N HN 0.410 nan 8.380 nan 0.000 0.529 395 V N 1.166 121.025 119.914 -0.090 0.000 2.252 395 V HA -0.285 3.835 4.120 0.001 0.000 0.249 395 V C 2.052 178.116 176.094 -0.050 0.000 1.056 395 V CA 1.719 63.961 62.300 -0.098 0.000 1.022 395 V CB -0.233 31.540 31.823 -0.084 0.000 0.641 395 V HN 0.537 nan 8.190 nan 0.000 0.445 396 E N -0.607 119.586 120.200 -0.012 0.000 2.038 396 E HA -0.297 4.054 4.350 0.001 0.000 0.195 396 E C 2.210 178.824 176.600 0.024 0.000 1.000 396 E CA 1.775 58.178 56.400 0.004 0.000 0.803 396 E CB -0.323 29.389 29.700 0.019 0.000 0.750 396 E HN 0.761 nan 8.360 nan 0.000 0.448 397 H N 1.088 120.132 119.070 -0.045 0.000 2.290 397 H HA -0.109 4.448 4.556 0.001 0.000 0.298 397 H C 2.074 177.376 175.328 -0.043 0.000 1.087 397 H CA 1.695 57.721 56.048 -0.037 0.000 1.291 397 H CB -0.384 29.357 29.762 -0.034 0.000 1.369 397 H HN 0.035 nan 8.280 nan 0.000 0.492 398 L N -0.228 120.905 121.223 -0.150 0.000 2.013 398 L HA -0.220 4.121 4.340 0.001 0.000 0.212 398 L C 2.873 179.640 176.870 -0.172 0.000 1.073 398 L CA 1.969 56.690 54.840 -0.199 0.000 0.753 398 L CB -0.460 41.519 42.059 -0.134 0.000 0.890 398 L HN 0.296 nan 8.230 nan 0.000 0.432 399 R N 0.235 120.663 120.500 -0.119 0.000 2.092 399 R HA -0.169 4.171 4.340 0.001 0.000 0.231 399 R C 2.480 178.726 176.300 -0.090 0.000 1.119 399 R CA 1.249 57.294 56.100 -0.091 0.000 0.970 399 R CB -0.137 30.124 30.300 -0.065 0.000 0.864 399 R HN 0.170 nan 8.270 nan 0.000 0.440 400 R N 0.327 120.771 120.500 -0.094 0.000 2.096 400 R HA -0.068 4.272 4.340 0.001 0.000 0.235 400 R C 2.186 178.422 176.300 -0.106 0.000 1.127 400 R CA 1.363 57.415 56.100 -0.079 0.000 0.968 400 R CB -0.206 30.067 30.300 -0.046 0.000 0.861 400 R HN 0.289 nan 8.270 nan 0.000 0.440 401 L N -0.040 121.073 121.223 -0.183 0.000 2.093 401 L HA -0.118 4.223 4.340 0.001 0.000 0.208 401 L C 2.600 179.405 176.870 -0.109 0.000 1.085 401 L CA 1.259 55.998 54.840 -0.168 0.000 0.755 401 L CB -0.533 41.372 42.059 -0.256 0.000 0.904 401 L HN 0.343 nan 8.230 nan 0.000 0.435 402 A N -0.133 122.624 122.820 -0.105 0.000 1.930 402 A HA -0.195 4.126 4.320 0.001 0.000 0.217 402 A C 1.998 179.546 177.584 -0.060 0.000 1.175 402 A CA 1.392 53.384 52.037 -0.076 0.000 0.627 402 A CB -0.343 18.613 19.000 -0.074 0.000 0.815 402 A HN 0.450 nan 8.150 nan 0.000 0.443 403 E N -0.103 120.062 120.200 -0.059 0.000 2.502 403 E HA 0.047 4.398 4.350 0.001 0.000 0.194 403 E C 0.767 177.343 176.600 -0.041 0.000 1.062 403 E CA 0.502 56.875 56.400 -0.046 0.000 0.867 403 E CB 0.112 29.787 29.700 -0.041 0.000 0.888 403 E HN 0.487 nan 8.360 nan 0.000 0.510 404 S N -0.125 115.548 115.700 -0.045 0.000 2.578 404 S HA 0.086 4.556 4.470 0.001 0.000 0.231 404 S C 0.237 174.817 174.600 -0.034 0.000 0.994 404 S CA -0.300 57.878 58.200 -0.036 0.000 0.956 404 S CB 0.866 64.044 63.200 -0.035 0.000 0.870 404 S HN -0.018 nan 8.310 nan 0.000 0.494 405 S N 2.417 118.094 115.700 -0.038 0.000 2.499 405 S HA 0.338 4.809 4.470 0.001 0.000 0.279 405 S C -1.804 172.778 174.600 -0.031 0.000 1.219 405 S CA -1.830 56.349 58.200 -0.035 0.000 1.062 405 S CB 0.910 64.087 63.200 -0.038 0.000 0.978 405 S HN -0.046 nan 8.310 nan 0.000 0.489 406 P HA -0.130 nan 4.420 nan 0.000 0.218 406 P C 1.460 178.742 177.300 -0.031 0.000 1.154 406 P CA 1.317 64.401 63.100 -0.027 0.000 0.872 406 P CB -0.003 31.683 31.700 -0.022 0.000 0.790 407 S N -0.151 115.531 115.700 -0.029 0.000 2.392 407 S HA -0.204 4.267 4.470 0.001 0.000 0.232 407 S C 1.720 176.299 174.600 -0.036 0.000 1.041 407 S CA 1.627 59.809 58.200 -0.030 0.000 1.026 407 S CB -1.209 61.976 63.200 -0.025 0.000 0.845 407 S HN 0.414 nan 8.310 nan 0.000 0.465 408 I N -0.051 120.497 120.570 -0.037 0.000 3.735 408 I HA 0.167 4.338 4.170 0.001 0.000 0.310 408 I C 1.157 177.246 176.117 -0.047 0.000 1.270 408 I CA 0.105 61.380 61.300 -0.041 0.000 1.207 408 I CB -0.010 37.968 38.000 -0.038 0.000 1.013 408 I HN 0.134 nan 8.210 nan 0.000 0.452 409 V N -2.095 117.788 119.914 -0.052 0.000 3.563 409 V HA 0.184 4.305 4.120 0.001 0.000 0.299 409 V C 1.426 177.467 176.094 -0.089 0.000 1.290 409 V CA 0.705 62.968 62.300 -0.062 0.000 1.201 409 V CB -1.449 30.340 31.823 -0.057 0.000 1.045 409 V HN 0.408 nan 8.190 nan 0.000 0.425 410 T N 0.673 115.175 114.554 -0.087 0.000 3.009 410 T HA 0.135 4.486 4.350 0.001 0.000 0.258 410 T C -0.307 174.328 174.700 -0.109 0.000 1.063 410 T CA 1.083 63.113 62.100 -0.116 0.000 1.139 410 T CB -0.766 68.048 68.868 -0.090 0.000 0.890 410 T HN 0.508 nan 8.240 nan 0.000 0.471 411 P HA 0.063 nan 4.420 nan 0.000 0.223 411 P C 1.211 178.470 177.300 -0.068 0.000 1.144 411 P CA 0.736 63.799 63.100 -0.061 0.000 0.783 411 P CB -0.247 31.427 31.700 -0.044 0.000 0.771 412 L N -1.320 119.852 121.223 -0.084 0.000 2.179 412 L HA -0.071 4.270 4.340 0.001 0.000 0.208 412 L C 1.846 178.649 176.870 -0.112 0.000 1.096 412 L CA 0.831 55.623 54.840 -0.080 0.000 0.779 412 L CB -0.955 41.061 42.059 -0.072 0.000 0.922 412 L HN -0.068 nan 8.230 nan 0.000 0.443 413 N N 0.265 118.839 118.700 -0.209 0.000 2.242 413 N HA -0.215 4.526 4.740 0.001 0.000 0.191 413 N C 2.005 177.430 175.510 -0.142 0.000 1.005 413 N CA 1.781 54.600 53.050 -0.386 0.000 0.877 413 N CB -0.258 37.800 38.487 -0.715 0.000 0.983 413 N HN 0.458 nan 8.380 nan 0.000 0.439 414 S N -1.107 114.563 115.700 -0.050 0.000 2.404 414 S HA 0.226 4.697 4.470 0.001 0.000 0.223 414 S C 1.951 176.569 174.600 0.029 0.000 1.040 414 S CA 0.492 58.710 58.200 0.030 0.000 0.957 414 S CB -0.185 63.027 63.200 0.020 0.000 0.826 414 S HN 0.269 nan 8.310 nan 0.000 0.491 415 A N 1.778 124.600 122.820 0.003 0.000 2.067 415 A HA 0.501 4.822 4.320 0.001 0.000 0.217 415 A C 1.085 178.676 177.584 0.012 0.000 1.156 415 A CA 0.471 52.512 52.037 0.006 0.000 0.683 415 A CB -0.643 18.354 19.000 -0.005 0.000 0.808 415 A HN 0.856 nan 8.150 nan 0.000 0.455 416 I N -5.532 115.045 120.570 0.013 0.000 2.994 416 I HA 0.738 4.909 4.170 0.001 0.000 0.306 416 I C 0.224 176.377 176.117 0.060 0.000 1.195 416 I CA -1.167 60.148 61.300 0.025 0.000 1.001 416 I CB 1.502 39.506 38.000 0.007 0.000 1.244 416 I HN -0.004 nan 8.210 nan 0.000 0.437 417 G N 1.905 110.755 108.800 0.084 0.000 2.441 417 G HA2 0.160 4.121 3.960 0.001 0.000 0.243 417 G HA3 0.160 4.121 3.960 0.001 0.000 0.243 417 G C 0.034 175.051 174.900 0.195 0.000 1.281 417 G CA -0.154 45.039 45.100 0.155 0.000 0.854 417 G HN 0.820 nan 8.290 nan 0.000 0.560 418 Y N 0.531 120.829 120.300 -0.004 0.000 2.114 418 Y HA -0.226 4.325 4.550 0.001 0.000 0.282 418 Y C 2.712 178.609 175.900 -0.005 0.000 1.165 418 Y CA 1.572 59.669 58.100 -0.004 0.000 1.148 418 Y CB 0.179 38.637 38.460 -0.004 0.000 0.972 418 Y HN 0.608 nan 8.280 nan 0.000 0.504 419 E N 0.611 120.912 120.200 0.168 0.000 2.478 419 E HA -0.158 4.193 4.350 0.001 0.000 0.198 419 E C 1.601 178.233 176.600 0.052 0.000 1.046 419 E CA 0.740 57.192 56.400 0.086 0.000 0.870 419 E CB -0.046 29.691 29.700 0.060 0.000 0.818 419 E HN 0.532 nan 8.360 nan 0.000 0.527 420 E N -1.275 118.956 120.200 0.052 0.000 2.251 420 E HA 0.091 4.441 4.350 0.001 0.000 0.194 420 E C 1.764 178.369 176.600 0.007 0.000 0.964 420 E CA 0.593 57.009 56.400 0.026 0.000 0.868 420 E CB 0.002 29.718 29.700 0.026 0.000 0.828 420 E HN 0.288 nan 8.360 nan 0.000 0.481 421 A N 1.394 124.212 122.820 -0.004 0.000 1.855 421 A HA -0.027 4.293 4.320 0.001 0.000 0.215 421 A C 2.415 179.982 177.584 -0.029 0.000 1.191 421 A CA 1.559 53.573 52.037 -0.037 0.000 0.613 421 A CB -0.898 18.046 19.000 -0.095 0.000 0.829 421 A HN 0.349 nan 8.150 nan 0.000 0.442 422 A N -0.209 122.601 122.820 -0.017 0.000 2.032 422 A HA 0.082 4.403 4.320 0.001 0.000 0.221 422 A C 2.398 179.981 177.584 -0.002 0.000 1.165 422 A CA 2.230 54.263 52.037 -0.007 0.000 0.645 422 A CB -0.853 18.155 19.000 0.013 0.000 0.807 422 A HN 1.064 nan 8.150 nan 0.000 0.453 423 A N -0.826 121.996 122.820 0.003 0.000 1.929 423 A HA 0.101 4.422 4.320 0.001 0.000 0.216 423 A C 2.192 179.774 177.584 -0.004 0.000 1.176 423 A CA 1.423 53.462 52.037 0.002 0.000 0.628 423 A CB -0.784 18.220 19.000 0.007 0.000 0.816 423 A HN 0.344 nan 8.150 nan 0.000 0.444 424 V N 0.073 119.982 119.914 -0.009 0.000 2.287 424 V HA -0.305 3.815 4.120 0.001 0.000 0.248 424 V C 3.079 179.164 176.094 -0.015 0.000 1.053 424 V CA 2.108 64.400 62.300 -0.013 0.000 1.027 424 V CB -1.174 30.637 31.823 -0.019 0.000 0.646 424 V HN 0.612 nan 8.190 nan 0.000 0.447 425 A N -0.924 121.886 122.820 -0.018 0.000 1.933 425 A HA -0.251 4.070 4.320 0.001 0.000 0.218 425 A C 2.296 179.872 177.584 -0.012 0.000 1.175 425 A CA 2.066 54.092 52.037 -0.018 0.000 0.628 425 A CB -0.408 18.579 19.000 -0.021 0.000 0.814 425 A HN 0.525 nan 8.150 nan 0.000 0.444 426 K N -1.278 119.117 120.400 -0.009 0.000 2.365 426 K HA 0.008 4.328 4.320 0.001 0.000 0.197 426 K C 2.241 178.839 176.600 -0.004 0.000 1.042 426 K CA 0.474 56.758 56.287 -0.005 0.000 0.987 426 K CB 0.041 32.539 32.500 -0.003 0.000 0.779 426 K HN 0.416 nan 8.250 nan 0.000 0.484 427 Q N 0.251 120.048 119.800 -0.005 0.000 2.062 427 Q HA -0.011 4.329 4.340 0.001 0.000 0.196 427 Q C 1.990 177.988 176.000 -0.005 0.000 0.967 427 Q CA 1.335 57.135 55.803 -0.004 0.000 0.832 427 Q CB 0.030 28.766 28.738 -0.004 0.000 0.899 427 Q HN 0.267 nan 8.270 nan 0.000 0.442 428 A N 1.270 124.086 122.820 -0.007 0.000 1.865 428 A HA -0.172 4.149 4.320 0.001 0.000 0.217 428 A C 2.239 179.819 177.584 -0.007 0.000 1.191 428 A CA 1.189 53.221 52.037 -0.008 0.000 0.623 428 A CB -1.012 17.981 19.000 -0.012 0.000 0.826 428 A HN 0.419 nan 8.150 nan 0.000 0.444 429 L N -0.934 120.284 121.223 -0.008 0.000 2.089 429 L HA -0.280 4.061 4.340 0.001 0.000 0.213 429 L C 2.685 179.554 176.870 -0.003 0.000 1.079 429 L CA 2.275 57.112 54.840 -0.006 0.000 0.758 429 L CB -0.311 41.743 42.059 -0.007 0.000 0.891 429 L HN 0.551 nan 8.230 nan 0.000 0.433 430 K N -0.017 120.381 120.400 -0.002 0.000 2.005 430 K HA -0.193 4.127 4.320 0.001 0.000 0.206 430 K C 1.964 178.564 176.600 0.001 0.000 1.044 430 K CA 1.142 57.428 56.287 -0.000 0.000 0.942 430 K CB -0.015 32.485 32.500 -0.000 0.000 0.727 430 K HN 0.141 nan 8.250 nan 0.000 0.439 431 E N 0.773 120.973 120.200 -0.000 0.000 2.478 431 E HA -0.098 4.253 4.350 0.001 0.000 0.198 431 E C -0.700 175.901 176.600 0.001 0.000 1.046 431 E CA 0.096 56.496 56.400 0.001 0.000 0.870 431 E CB 0.175 29.875 29.700 -0.000 0.000 0.818 431 E HN 0.156 nan 8.360 nan 0.000 0.527 432 R N 0.749 121.249 120.500 0.000 0.000 3.079 432 R HA -0.188 4.152 4.340 0.001 0.000 0.254 432 R C -0.770 175.531 176.300 0.000 0.000 0.900 432 R CA 1.218 57.319 56.100 0.001 0.000 0.641 432 R CB -1.733 28.571 30.300 0.006 0.000 1.307 432 R HN 0.319 nan 8.270 nan 0.000 0.477 433 K N -1.952 118.446 120.400 -0.004 0.000 2.439 433 K HA 0.491 4.812 4.320 0.001 0.000 0.260 433 K C 0.169 176.762 176.600 -0.011 0.000 1.032 433 K CA -0.795 55.489 56.287 -0.005 0.000 0.882 433 K CB 1.038 33.535 32.500 -0.004 0.000 1.420 433 K HN 0.074 nan 8.250 nan 0.000 0.455 434 T N -1.447 113.099 114.554 -0.013 0.000 2.795 434 T HA 0.080 4.430 4.350 0.001 0.000 0.314 434 T C 1.333 176.022 174.700 -0.018 0.000 1.069 434 T CA -0.608 61.481 62.100 -0.018 0.000 1.071 434 T CB 0.146 69.002 68.868 -0.019 0.000 0.988 434 T HN 0.485 nan 8.240 nan 0.000 0.543 435 I N 0.535 121.092 120.570 -0.022 0.000 2.546 435 I HA -0.009 4.162 4.170 0.001 0.000 0.255 435 I C 2.692 178.797 176.117 -0.020 0.000 1.163 435 I CA 0.936 62.223 61.300 -0.022 0.000 1.457 435 I CB -1.058 36.926 38.000 -0.027 0.000 1.092 435 I HN 0.799 nan 8.210 nan 0.000 0.434 436 R N 0.818 121.306 120.500 -0.019 0.000 2.092 436 R HA -0.206 4.135 4.340 0.001 0.000 0.231 436 R C 2.019 178.311 176.300 -0.013 0.000 1.119 436 R CA 1.397 57.486 56.100 -0.017 0.000 0.970 436 R CB -0.038 30.252 30.300 -0.017 0.000 0.864 436 R HN 0.255 nan 8.270 nan 0.000 0.440 437 Q N -0.560 119.232 119.800 -0.012 0.000 2.378 437 Q HA 0.000 4.341 4.340 0.001 0.000 0.205 437 Q C 1.262 177.257 176.000 -0.008 0.000 0.954 437 Q CA 1.368 57.165 55.803 -0.009 0.000 0.901 437 Q CB 0.225 28.959 28.738 -0.008 0.000 0.981 437 Q HN 0.186 nan 8.270 nan 0.000 0.483 438 T N -1.139 113.409 114.554 -0.010 0.000 3.054 438 T HA 0.035 4.385 4.350 0.001 0.000 0.259 438 T C 1.543 176.238 174.700 -0.009 0.000 1.092 438 T CA 0.690 62.785 62.100 -0.009 0.000 1.121 438 T CB 0.132 68.995 68.868 -0.010 0.000 0.912 438 T HN 0.052 nan 8.240 nan 0.000 0.489 439 V N 1.837 121.744 119.914 -0.011 0.000 2.343 439 V HA -0.137 3.984 4.120 0.001 0.000 0.247 439 V C 2.313 178.403 176.094 -0.007 0.000 1.051 439 V CA 1.468 63.762 62.300 -0.010 0.000 1.036 439 V CB -0.587 31.228 31.823 -0.012 0.000 0.654 439 V HN 0.513 nan 8.190 nan 0.000 0.451 440 I N 0.315 120.881 120.570 -0.007 0.000 2.226 440 I HA -0.212 3.959 4.170 0.001 0.000 0.245 440 I C 2.050 178.164 176.117 -0.004 0.000 1.100 440 I CA 1.558 62.855 61.300 -0.005 0.000 1.374 440 I CB -0.518 37.478 38.000 -0.005 0.000 1.057 440 I HN 0.309 nan 8.210 nan 0.000 0.413 441 D N 0.459 120.856 120.400 -0.004 0.000 2.312 441 D HA -0.099 4.541 4.640 0.001 0.000 0.211 441 D C 2.161 178.460 176.300 -0.002 0.000 0.964 441 D CA 0.738 54.736 54.000 -0.003 0.000 0.877 441 D CB -0.106 40.693 40.800 -0.003 0.000 0.924 441 D HN 0.115 nan 8.370 nan 0.000 0.515 442 R N -0.554 119.944 120.500 -0.002 0.000 2.246 442 R HA 0.211 4.552 4.340 0.001 0.000 0.199 442 R C 1.450 177.750 176.300 -0.001 0.000 0.984 442 R CA 0.813 56.913 56.100 -0.001 0.000 1.015 442 R CB 0.108 30.407 30.300 -0.001 0.000 0.930 442 R HN 0.163 nan 8.270 nan 0.000 0.475 443 G N -0.216 108.583 108.800 -0.001 0.000 2.179 443 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 443 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 443 G C 0.724 175.624 174.900 -0.001 0.000 0.977 443 G CA 0.261 45.360 45.100 -0.001 0.000 0.641 443 G HN 0.177 nan 8.290 nan 0.000 0.533 444 L N 0.209 121.432 121.223 -0.001 0.000 2.270 444 L HA -0.062 4.278 4.340 0.001 0.000 0.217 444 L C 1.725 178.594 176.870 -0.001 0.000 1.107 444 L CA 1.524 56.363 54.840 -0.001 0.000 0.772 444 L CB -1.255 40.803 42.059 -0.002 0.000 0.902 444 L HN 0.528 nan 8.230 nan 0.000 0.439 445 I N -0.215 120.354 120.570 -0.002 0.000 2.533 445 I HA 0.464 4.635 4.170 0.001 0.000 0.284 445 I C 0.917 177.033 176.117 -0.001 0.000 1.109 445 I CA 0.128 61.427 61.300 -0.003 0.000 1.412 445 I CB -0.229 37.769 38.000 -0.004 0.000 1.396 445 I HN 0.182 nan 8.210 nan 0.000 0.543 446 G N 3.198 111.998 108.800 -0.001 0.000 3.067 446 G HA2 0.192 4.152 3.960 0.001 0.000 0.686 446 G HA3 0.192 4.152 3.960 0.001 0.000 0.686 446 G C -0.775 174.125 174.900 0.001 0.000 1.119 446 G CA -0.587 44.513 45.100 -0.000 0.000 0.790 446 G HN 0.965 nan 8.290 nan 0.000 0.605 450 S N 3.025 118.724 115.700 -0.002 0.000 2.614 450 S HA 0.548 5.019 4.470 0.001 0.000 0.265 450 S C 1.630 176.228 174.600 -0.004 0.000 1.303 450 S CA -0.359 57.840 58.200 -0.003 0.000 1.000 450 S CB 0.931 64.130 63.200 -0.002 0.000 0.935 450 S HN 0.565 nan 8.310 nan 0.000 0.551 451 I N 0.752 121.319 120.570 -0.004 0.000 2.142 451 I HA -0.197 3.974 4.170 0.001 0.000 0.240 451 I C 2.428 178.541 176.117 -0.007 0.000 1.078 451 I CA 1.615 62.912 61.300 -0.006 0.000 1.343 451 I CB -0.861 37.136 38.000 -0.005 0.000 1.046 451 I HN 0.642 nan 8.210 nan 0.000 0.405 452 E N 0.913 121.110 120.200 -0.006 0.000 2.204 452 E HA -0.240 4.111 4.350 0.001 0.000 0.195 452 E C 1.664 178.260 176.600 -0.007 0.000 0.990 452 E CA 1.263 57.660 56.400 -0.006 0.000 0.821 452 E CB -0.269 29.428 29.700 -0.005 0.000 0.750 452 E HN 0.407 nan 8.360 nan 0.000 0.477 453 D N 0.053 120.449 120.400 -0.007 0.000 2.144 453 D HA -0.097 4.543 4.640 0.001 0.000 0.200 453 D C 1.589 177.883 176.300 -0.011 0.000 0.978 453 D CA 0.570 54.565 54.000 -0.008 0.000 0.833 453 D CB 0.039 40.835 40.800 -0.006 0.000 0.961 453 D HN 0.091 nan 8.370 nan 0.000 0.470 454 L N 0.426 121.643 121.223 -0.011 0.000 1.925 454 L HA -0.204 4.136 4.340 0.001 0.000 0.215 454 L C 1.478 178.339 176.870 -0.015 0.000 1.082 454 L CA 1.878 56.710 54.840 -0.014 0.000 0.764 454 L CB -0.599 41.452 42.059 -0.012 0.000 0.887 454 L HN -0.007 nan 8.230 nan 0.000 0.432 455 D N -0.843 119.549 120.400 -0.014 0.000 2.381 455 D HA -0.254 4.386 4.640 0.001 0.000 0.212 455 D C 2.025 178.317 176.300 -0.015 0.000 0.988 455 D CA 0.916 54.907 54.000 -0.014 0.000 0.942 455 D CB -0.130 40.663 40.800 -0.012 0.000 0.882 455 D HN 0.243 nan 8.370 nan 0.000 0.480 456 R N 0.185 120.677 120.500 -0.014 0.000 2.066 456 R HA 0.099 4.440 4.340 0.001 0.000 0.224 456 R C 1.860 178.150 176.300 -0.017 0.000 1.122 456 R CA 0.548 56.639 56.100 -0.013 0.000 0.974 456 R CB 0.204 30.498 30.300 -0.011 0.000 0.871 456 R HN 0.070 nan 8.270 nan 0.000 0.435 457 R N -0.250 120.239 120.500 -0.019 0.000 2.161 457 R HA 0.044 4.385 4.340 0.001 0.000 0.213 457 R C 0.759 177.043 176.300 -0.026 0.000 1.055 457 R CA 0.392 56.478 56.100 -0.023 0.000 0.996 457 R CB 0.192 30.477 30.300 -0.025 0.000 0.901 457 R HN 0.116 nan 8.270 nan 0.000 0.456 458 L N 1.295 122.503 121.223 -0.025 0.000 2.848 458 L HA 0.119 4.459 4.340 0.001 0.000 0.240 458 L C -0.186 176.667 176.870 -0.027 0.000 1.232 458 L CA 0.166 54.990 54.840 -0.028 0.000 1.031 458 L CB 0.071 42.114 42.059 -0.027 0.000 1.338 458 L HN -0.082 nan 8.230 nan 0.000 0.509 459 D N -0.112 120.272 120.400 -0.026 0.000 2.435 459 D HA 0.031 4.672 4.640 0.001 0.000 0.230 459 D C 1.557 177.838 176.300 -0.032 0.000 1.215 459 D CA 0.053 54.037 54.000 -0.027 0.000 0.947 459 D CB 1.069 41.855 40.800 -0.023 0.000 1.048 459 D HN 0.144 nan 8.370 nan 0.000 0.512 460 V N 2.775 122.667 119.914 -0.036 0.000 2.490 460 V HA -0.184 3.936 4.120 0.001 0.000 0.250 460 V C 2.209 178.276 176.094 -0.045 0.000 1.061 460 V CA 0.790 63.066 62.300 -0.041 0.000 1.064 460 V CB -0.795 31.001 31.823 -0.045 0.000 0.670 460 V HN 0.422 nan 8.190 nan 0.000 0.461 461 L N 1.478 122.673 121.223 -0.047 0.000 2.141 461 L HA 0.152 4.492 4.340 0.001 0.000 0.209 461 L C 2.545 179.384 176.870 -0.052 0.000 1.094 461 L CA 2.101 56.907 54.840 -0.057 0.000 0.763 461 L CB -1.020 41.004 42.059 -0.057 0.000 0.908 461 L HN 0.324 nan 8.230 nan 0.000 0.437 462 A N -1.081 121.716 122.820 -0.038 0.000 1.970 462 A HA -0.130 4.191 4.320 0.001 0.000 0.216 462 A C 2.228 179.795 177.584 -0.029 0.000 1.170 462 A CA 1.508 53.526 52.037 -0.031 0.000 0.645 462 A CB -0.453 18.533 19.000 -0.023 0.000 0.816 462 A HN 0.482 nan 8.150 nan 0.000 0.447 463 M N -0.411 119.170 119.600 -0.031 0.000 2.213 463 M HA -0.127 4.353 4.480 0.001 0.000 0.263 463 M C 2.279 178.561 176.300 -0.030 0.000 1.062 463 M CA 1.298 56.581 55.300 -0.029 0.000 1.105 463 M CB -0.296 32.286 32.600 -0.031 0.000 1.385 463 M HN 0.459 nan 8.290 nan 0.000 0.417 464 A N -0.061 122.736 122.820 -0.039 0.000 2.168 464 A HA -0.059 4.261 4.320 0.001 0.000 0.215 464 A C 0.906 178.468 177.584 -0.038 0.000 1.152 464 A CA 0.521 52.533 52.037 -0.041 0.000 0.716 464 A CB -0.417 18.549 19.000 -0.056 0.000 0.794 464 A HN 0.510 nan 8.150 nan 0.000 0.465 465 K N -1.199 119.181 120.400 -0.034 0.000 3.278 465 K HA -0.202 4.118 4.320 0.001 0.000 0.270 465 K C 0.479 177.065 176.600 -0.023 0.000 0.955 465 K CA 0.085 56.359 56.287 -0.022 0.000 0.723 465 K CB -2.148 30.346 32.500 -0.011 0.000 1.382 465 K HN 0.743 nan 8.250 nan 0.000 0.461 466 A N 0.000 122.784 122.820 -0.060 0.000 2.254 466 A HA 0.000 4.321 4.320 0.001 0.000 0.244 466 A CA 0.000 51.976 52.037 -0.102 0.000 0.836 466 A CB 0.000 18.810 19.000 -0.316 0.000 0.831 466 A HN 0.000 nan 8.150 nan 0.000 0.486