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 1w9u_1_B DATA FIRST_RESID 39 DATA SEQUENCE ASSGYRSVVY FVNWAIYGRN HNPQDLPVER LTHVLYAFAN VRPETGEVYM DATA SEQUENCE TDSWADIEKH YPGDSWSDTG NNVYGCIKQL YLLKKQNRNL KVLLSIGGWT DATA SEQUENCE YSPNFAPAAS TDAGRKNFAK TAVKLLQDLG FDGLDIDWEY PENDQQANDF DATA SEQUENCE VLLLKEVRTA LDSYSAANAG GQHFLLTVAS PAGPDKIKVL HLKDMDQQLD DATA SEQUENCE FWNLMAYDYA GSFSSLSGHQ ANVYNDTSNP LSTPFNTQTA LDLYRAGGVP DATA SEQUENCE ANKIVLGMPL YGRSFANTDG PGKPYNGVGQ GSWENGVWDY KALPQAGATE DATA SEQUENCE HVLPDIMASY SYDATNKFLI SYDNPQVANL KSGYIKSLGL GGAMWWDSSS DATA SEQUENCE DKTGSDSLIT TVVNALGGTG VFEQSQNELD YPVSQYDNLR NGMQT 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 39 A HA 0.000 nan 4.320 nan 0.000 0.244 39 A C 0.000 177.591 177.584 0.012 0.000 1.274 39 A CA 0.000 52.046 52.037 0.014 0.000 0.836 39 A CB 0.000 19.008 19.000 0.013 0.000 0.831 40 S N 0.572 116.283 115.700 0.018 0.000 2.537 40 S HA 0.825 5.295 4.470 0.001 0.000 0.270 40 S C -0.044 174.562 174.600 0.009 0.000 1.142 40 S CA 0.007 58.212 58.200 0.009 0.000 0.870 40 S CB 1.239 64.444 63.200 0.008 0.000 1.112 40 S HN 2.201 nan 8.310 nan 0.000 0.466 41 S N 1.260 116.954 115.700 -0.010 0.000 2.589 41 S HA 0.822 5.292 4.470 0.001 0.000 0.265 41 S C 0.684 175.253 174.600 -0.051 0.000 1.342 41 S CA 0.140 58.324 58.200 -0.027 0.000 1.005 41 S CB 0.329 63.502 63.200 -0.046 0.000 0.909 41 S HN 2.169 nan 8.310 nan 0.000 0.555 42 G N -0.161 108.584 108.800 -0.092 0.000 2.317 42 G HA2 0.380 4.341 3.960 0.001 0.000 0.293 42 G HA3 0.380 4.341 3.960 0.001 0.000 0.293 42 G C -1.964 172.840 174.900 -0.161 0.000 1.287 42 G CA -1.027 43.982 45.100 -0.152 0.000 0.850 42 G HN 0.604 nan 8.290 nan 0.000 0.515 43 Y N 0.968 121.318 120.300 0.082 0.000 2.309 43 Y HA 0.611 5.162 4.550 0.001 0.000 0.327 43 Y C 1.484 177.348 175.900 -0.059 0.000 1.172 43 Y CA -0.091 58.027 58.100 0.030 0.000 1.280 43 Y CB 0.854 39.379 38.460 0.108 0.000 1.234 43 Y HN 0.290 nan 8.280 nan 0.000 0.512 44 R N 0.698 121.194 120.500 -0.007 0.000 2.486 44 R HA 0.553 4.893 4.340 0.001 0.000 0.286 44 R C -0.596 175.573 176.300 -0.218 0.000 0.999 44 R CA -0.824 55.162 56.100 -0.190 0.000 0.993 44 R CB 1.489 31.528 30.300 -0.435 0.000 1.084 44 R HN 0.540 nan 8.270 nan 0.000 0.487 45 S N 1.853 117.389 115.700 -0.273 0.000 2.653 45 S HA 0.334 4.805 4.470 0.001 0.000 0.272 45 S C -0.900 173.750 174.600 0.084 0.000 1.221 45 S CA -0.647 57.493 58.200 -0.099 0.000 1.149 45 S CB 0.636 63.662 63.200 -0.289 0.000 1.029 45 S HN 0.306 nan 8.310 nan 0.000 0.481 46 V N 4.887 124.873 119.914 0.121 0.000 2.483 46 V HA 0.757 4.877 4.120 0.001 0.000 0.295 46 V C -0.130 176.156 176.094 0.320 0.000 1.035 46 V CA -0.672 61.733 62.300 0.175 0.000 0.896 46 V CB 1.592 33.459 31.823 0.074 0.000 0.986 46 V HN 0.585 nan 8.190 nan 0.000 0.447 47 V N 4.846 124.915 119.914 0.258 0.000 2.888 47 V HA 0.569 4.690 4.120 0.001 0.000 0.309 47 V C -1.634 174.540 176.094 0.133 0.000 1.114 47 V CA -0.564 61.921 62.300 0.308 0.000 0.940 47 V CB 2.347 34.349 31.823 0.299 0.000 1.021 47 V HN 0.751 nan 8.190 nan 0.000 0.426 48 Y N 5.195 125.553 120.300 0.096 0.000 2.316 48 Y HA 0.500 5.050 4.550 0.001 0.000 0.331 48 Y C -0.281 175.477 175.900 -0.236 0.000 1.083 48 Y CA -0.011 58.035 58.100 -0.090 0.000 1.206 48 Y CB 1.468 39.759 38.460 -0.282 0.000 1.195 48 Y HN 0.625 nan 8.280 nan 0.000 0.497 49 F N 5.076 124.928 119.950 -0.163 0.000 2.427 49 F HA 0.555 5.083 4.527 0.001 0.000 0.348 49 F C -0.711 174.810 175.800 -0.464 0.000 1.125 49 F CA -1.302 56.568 58.000 -0.217 0.000 0.989 49 F CB 0.580 39.566 39.000 -0.023 0.000 1.165 49 F HN 0.234 nan 8.300 nan 0.000 0.442 50 V N 4.202 123.392 119.914 -1.206 0.000 2.509 50 V HA 0.283 4.404 4.120 0.001 0.000 0.284 50 V C 0.790 176.185 176.094 -1.165 0.000 1.047 50 V CA -0.502 60.916 62.300 -1.470 0.000 0.952 50 V CB 1.192 31.546 31.823 -2.447 0.000 0.988 50 V HN 0.859 nan 8.190 nan 0.000 0.469 51 N N 3.990 122.282 118.700 -0.681 0.000 2.453 51 N HA -0.153 4.588 4.740 0.001 0.000 0.183 51 N C 1.098 176.610 175.510 0.003 0.000 1.041 51 N CA 1.693 54.650 53.050 -0.155 0.000 0.900 51 N CB -0.664 37.798 38.487 -0.041 0.000 0.961 51 N HN 0.990 nan 8.380 nan 0.000 0.443 52 W N -1.404 119.857 121.300 -0.065 0.000 3.180 52 W HA 0.619 5.279 4.660 0.001 0.000 0.254 52 W C 1.522 177.991 176.519 -0.083 0.000 1.318 52 W CA -0.234 57.161 57.345 0.084 0.000 1.608 52 W CB -0.308 29.244 29.460 0.155 0.000 1.124 52 W HN 0.098 nan 8.180 nan 0.000 0.694 53 A N 2.166 124.679 122.820 -0.511 0.000 2.121 53 A HA -0.088 4.232 4.320 0.001 0.000 0.218 53 A C 1.893 179.330 177.584 -0.246 0.000 1.154 53 A CA 1.399 53.125 52.037 -0.519 0.000 0.679 53 A CB -0.996 17.513 19.000 -0.818 0.000 0.795 53 A HN 0.682 nan 8.150 nan 0.000 0.458 54 I N -4.612 115.831 120.570 -0.211 0.000 3.176 54 I HA 0.002 4.172 4.170 0.001 0.000 0.275 54 I C 1.553 177.563 176.117 -0.179 0.000 1.298 54 I CA 0.497 61.704 61.300 -0.155 0.000 1.445 54 I CB -0.315 37.581 38.000 -0.173 0.000 1.075 54 I HN 0.211 nan 8.210 nan 0.000 0.482 55 Y N 1.949 122.298 120.300 0.081 0.000 3.173 55 Y HA 0.412 4.963 4.550 0.001 0.000 0.210 55 Y C 2.615 178.520 175.900 0.009 0.000 0.894 55 Y CA 0.891 59.043 58.100 0.086 0.000 0.986 55 Y CB -1.307 37.217 38.460 0.106 0.000 1.094 55 Y HN -0.098 nan 8.280 nan 0.000 0.463 56 G N -0.005 108.896 108.800 0.168 0.000 2.442 56 G HA2 -0.230 3.730 3.960 0.001 0.000 0.219 56 G HA3 -0.230 3.730 3.960 0.001 0.000 0.219 56 G C 1.507 176.290 174.900 -0.195 0.000 1.141 56 G CA 0.871 46.013 45.100 0.069 0.000 0.763 56 G HN 0.323 nan 8.290 nan 0.000 0.554 57 R N -0.307 119.840 120.500 -0.589 0.000 2.280 57 R HA 0.005 4.345 4.340 0.001 0.000 0.207 57 R C 1.064 177.301 176.300 -0.104 0.000 1.043 57 R CA 0.421 56.175 56.100 -0.577 0.000 1.006 57 R CB -0.236 29.623 30.300 -0.735 0.000 0.885 57 R HN 0.350 nan 8.270 nan 0.000 0.467 58 N N 1.110 119.798 118.700 -0.020 0.000 2.699 58 N HA -0.264 4.476 4.740 0.001 0.000 0.256 58 N C -1.462 174.111 175.510 0.105 0.000 0.993 58 N CA 0.743 53.835 53.050 0.070 0.000 0.759 58 N CB -1.109 37.442 38.487 0.106 0.000 0.906 58 N HN 0.437 nan 8.380 nan 0.000 0.541 59 H N 0.219 119.258 119.070 -0.051 0.000 2.658 59 H HA 0.620 5.177 4.556 0.001 0.000 0.337 59 H C -0.596 174.795 175.328 0.105 0.000 1.009 59 H CA -0.712 55.321 56.048 -0.025 0.000 1.231 59 H CB 0.634 30.304 29.762 -0.154 0.000 1.508 59 H HN 0.396 nan 8.280 nan 0.000 0.517 60 N N 4.920 123.487 118.700 -0.222 0.000 2.402 60 N HA 0.247 4.987 4.740 0.001 0.000 0.294 60 N C -2.124 173.165 175.510 -0.368 0.000 1.203 60 N CA -1.888 51.077 53.050 -0.142 0.000 0.838 60 N CB 1.813 40.147 38.487 -0.254 0.000 1.306 60 N HN 0.360 nan 8.380 nan 0.000 0.510 61 P HA -0.172 nan 4.420 nan 0.000 0.217 61 P C 0.545 177.571 177.300 -0.456 0.000 1.148 61 P CA 1.390 64.026 63.100 -0.774 0.000 0.828 61 P CB 0.208 31.407 31.700 -0.835 0.000 0.783 62 Q N -0.740 118.801 119.800 -0.433 0.000 2.364 62 Q HA -0.140 4.200 4.340 0.001 0.000 0.209 62 Q C 1.314 177.186 176.000 -0.213 0.000 0.977 62 Q CA 1.185 56.803 55.803 -0.309 0.000 0.885 62 Q CB -0.779 27.768 28.738 -0.318 0.000 0.941 62 Q HN 0.352 nan 8.270 nan 0.000 0.464 63 D N -0.443 119.822 120.400 -0.226 0.000 2.349 63 D HA 0.032 4.672 4.640 0.001 0.000 0.215 63 D C 0.034 176.318 176.300 -0.026 0.000 1.016 63 D CA 0.147 54.078 54.000 -0.114 0.000 0.870 63 D CB 0.203 40.939 40.800 -0.106 0.000 0.917 63 D HN 0.263 nan 8.370 nan 0.000 0.524 64 L N 2.731 123.918 121.223 -0.060 0.000 2.485 64 L HA 0.083 4.424 4.340 0.001 0.000 0.275 64 L C -1.612 175.260 176.870 0.004 0.000 1.207 64 L CA -1.058 53.794 54.840 0.019 0.000 0.855 64 L CB 0.209 42.258 42.059 -0.016 0.000 1.114 64 L HN -0.187 nan 8.230 nan 0.000 0.485 65 P HA 0.016 nan 4.420 nan 0.000 0.225 65 P C 1.029 178.347 177.300 0.030 0.000 1.813 65 P CA -0.213 62.897 63.100 0.015 0.000 1.013 65 P CB 0.193 31.895 31.700 0.004 0.000 1.961 66 V N -0.277 119.643 119.914 0.010 0.000 2.453 66 V HA -0.248 3.873 4.120 0.001 0.000 0.252 66 V C 1.936 178.063 176.094 0.056 0.000 1.068 66 V CA 1.611 63.920 62.300 0.015 0.000 1.070 66 V CB -1.184 30.623 31.823 -0.026 0.000 0.664 66 V HN 0.155 nan 8.190 nan 0.000 0.461 67 E N 0.935 121.170 120.200 0.058 0.000 2.268 67 E HA -0.073 4.277 4.350 0.001 0.000 0.195 67 E C 2.011 178.723 176.600 0.186 0.000 0.995 67 E CA 0.940 57.392 56.400 0.086 0.000 0.836 67 E CB -0.180 29.545 29.700 0.041 0.000 0.763 67 E HN 0.706 nan 8.360 nan 0.000 0.491 68 R N 0.136 120.758 120.500 0.204 0.000 2.552 68 R HA 0.328 4.669 4.340 0.001 0.000 0.314 68 R C 0.136 176.666 176.300 0.384 0.000 1.041 68 R CA -0.044 56.273 56.100 0.362 0.000 1.076 68 R CB 0.476 30.893 30.300 0.196 0.000 1.290 68 R HN -0.026 nan 8.270 nan 0.000 0.563 69 L N -1.156 120.207 121.223 0.234 0.000 2.350 69 L HA 0.406 4.746 4.340 0.001 0.000 0.260 69 L C 1.060 177.887 176.870 -0.072 0.000 1.015 69 L CA -0.529 54.338 54.840 0.044 0.000 0.821 69 L CB 2.363 44.467 42.059 0.074 0.000 1.370 69 L HN -0.004 nan 8.230 nan 0.000 0.416 70 T N -4.256 110.205 114.554 -0.155 0.000 2.964 70 T HA 0.276 4.626 4.350 0.001 0.000 0.249 70 T C 0.169 174.688 174.700 -0.303 0.000 1.000 70 T CA 0.105 62.084 62.100 -0.201 0.000 0.992 70 T CB 0.116 68.867 68.868 -0.195 0.000 1.087 70 T HN 0.542 nan 8.240 nan 0.000 0.489 71 H N -0.294 118.771 119.070 -0.008 0.000 2.894 71 H HA 0.760 5.316 4.556 0.001 0.000 0.367 71 H C -1.504 173.857 175.328 0.055 0.000 1.144 71 H CA -0.725 55.358 56.048 0.060 0.000 1.180 71 H CB 2.284 32.127 29.762 0.136 0.000 1.758 71 H HN 0.055 nan 8.280 nan 0.000 0.541 72 V N 3.783 123.793 119.914 0.161 0.000 2.487 72 V HA 0.306 4.427 4.120 0.001 0.000 0.298 72 V C -0.584 175.558 176.094 0.081 0.000 1.028 72 V CA -0.704 61.659 62.300 0.105 0.000 0.860 72 V CB 1.658 33.522 31.823 0.069 0.000 0.991 72 V HN 0.528 nan 8.190 nan 0.000 0.427 73 L N 5.023 126.231 121.223 -0.025 0.000 2.276 73 L HA 0.457 4.798 4.340 0.001 0.000 0.286 73 L C -0.944 175.947 176.870 0.035 0.000 1.024 73 L CA -0.661 54.115 54.840 -0.107 0.000 0.826 73 L CB 1.017 42.750 42.059 -0.544 0.000 1.211 73 L HN 0.612 nan 8.230 nan 0.000 0.422 74 Y N 3.665 123.940 120.300 -0.042 0.000 2.504 74 Y HA 0.498 5.048 4.550 0.001 0.000 0.351 74 Y C 0.246 176.139 175.900 -0.011 0.000 0.988 74 Y CA -0.713 57.397 58.100 0.016 0.000 1.239 74 Y CB 0.808 39.300 38.460 0.054 0.000 1.128 74 Y HN 0.609 nan 8.280 nan 0.000 0.525 75 A N 6.131 128.687 122.820 -0.440 0.000 2.324 75 A HA 0.774 5.094 4.320 0.001 0.000 0.330 75 A C -1.698 175.660 177.584 -0.376 0.000 1.165 75 A CA -0.381 51.304 52.037 -0.587 0.000 0.813 75 A CB 0.451 18.650 19.000 -1.335 0.000 1.197 75 A HN 0.618 nan 8.150 nan 0.000 0.484 76 F N 0.190 120.271 119.950 0.218 0.000 2.588 76 F HA 0.657 5.185 4.527 0.001 0.000 0.310 76 F C 0.522 176.442 175.800 0.199 0.000 1.082 76 F CA -0.440 57.721 58.000 0.268 0.000 0.929 76 F CB 2.238 41.485 39.000 0.412 0.000 1.254 76 F HN 0.765 nan 8.300 nan 0.000 0.455 77 A N 2.074 125.082 122.820 0.314 0.000 2.295 77 A HA 0.647 4.968 4.320 0.001 0.000 0.318 77 A C -0.525 176.930 177.584 -0.215 0.000 1.134 77 A CA -0.420 51.618 52.037 0.001 0.000 0.827 77 A CB 0.790 19.766 19.000 -0.040 0.000 1.136 77 A HN 0.707 nan 8.150 nan 0.000 0.493 78 N N -0.712 117.532 118.700 -0.759 0.000 2.518 78 N HA 0.576 5.317 4.740 0.001 0.000 0.284 78 N C -1.429 173.609 175.510 -0.787 0.000 1.230 78 N CA -0.394 51.978 53.050 -1.130 0.000 0.941 78 N CB 1.774 39.166 38.487 -1.825 0.000 1.219 78 N HN 0.637 nan 8.380 nan 0.000 0.560 79 V N 1.168 120.729 119.914 -0.588 0.000 2.577 79 V HA 0.514 4.634 4.120 0.001 0.000 0.303 79 V C -0.830 175.181 176.094 -0.137 0.000 1.042 79 V CA -0.811 61.307 62.300 -0.304 0.000 0.872 79 V CB 1.192 32.811 31.823 -0.339 0.000 0.998 79 V HN 0.644 nan 8.190 nan 0.000 0.423 80 R N 7.942 128.460 120.500 0.030 0.000 2.370 80 R HA 0.272 4.612 4.340 0.001 0.000 0.309 80 R C -1.618 174.643 176.300 -0.065 0.000 1.059 80 R CA -1.229 54.865 56.100 -0.011 0.000 0.981 80 R CB 1.039 31.308 30.300 -0.052 0.000 0.972 80 R HN 0.630 nan 8.270 nan 0.000 0.437 81 P HA -0.203 nan 4.420 nan 0.000 0.220 81 P C 0.524 177.789 177.300 -0.057 0.000 1.148 81 P CA 1.360 64.404 63.100 -0.094 0.000 0.803 81 P CB 0.334 31.973 31.700 -0.101 0.000 0.782 82 E N 0.185 120.356 120.200 -0.049 0.000 2.318 82 E HA -0.043 4.308 4.350 0.001 0.000 0.193 82 E C 1.469 178.054 176.600 -0.024 0.000 0.998 82 E CA 1.584 57.963 56.400 -0.035 0.000 0.859 82 E CB -1.141 28.536 29.700 -0.038 0.000 0.812 82 E HN 0.344 nan 8.360 nan 0.000 0.492 83 T N -4.193 110.346 114.554 -0.025 0.000 2.958 83 T HA 0.415 4.766 4.350 0.001 0.000 0.256 83 T C 1.510 176.221 174.700 0.018 0.000 0.983 83 T CA 0.628 62.722 62.100 -0.010 0.000 0.924 83 T CB 0.521 69.372 68.868 -0.028 0.000 1.136 83 T HN 0.311 nan 8.240 nan 0.000 0.506 84 G N 1.725 110.541 108.800 0.026 0.000 2.159 84 G HA2 -0.267 3.694 3.960 0.001 0.000 0.256 84 G HA3 -0.267 3.694 3.960 0.001 0.000 0.256 84 G C -0.164 174.778 174.900 0.070 0.000 0.977 84 G CA 0.268 45.428 45.100 0.100 0.000 0.652 84 G HN 0.923 nan 8.290 nan 0.000 0.531 85 E N 0.511 120.712 120.200 0.002 0.000 2.376 85 E HA 0.381 4.731 4.350 0.001 0.000 0.266 85 E C 0.147 176.724 176.600 -0.038 0.000 1.009 85 E CA -0.382 55.998 56.400 -0.033 0.000 0.902 85 E CB 0.665 30.336 29.700 -0.049 0.000 0.972 85 E HN 0.139 nan 8.360 nan 0.000 0.439 86 V N 6.470 126.286 119.914 -0.164 0.000 2.407 86 V HA 0.283 4.404 4.120 0.001 0.000 0.278 86 V C -0.724 175.368 176.094 -0.003 0.000 1.037 86 V CA -0.351 61.802 62.300 -0.245 0.000 0.900 86 V CB 0.241 31.728 31.823 -0.561 0.000 0.983 86 V HN 0.585 nan 8.190 nan 0.000 0.459 87 Y N 3.343 123.531 120.300 -0.186 0.000 2.562 87 Y HA 0.783 5.334 4.550 0.001 0.000 0.345 87 Y C -0.645 175.226 175.900 -0.048 0.000 1.045 87 Y CA -2.130 55.910 58.100 -0.099 0.000 1.028 87 Y CB 1.098 39.502 38.460 -0.094 0.000 1.297 87 Y HN 0.360 nan 8.280 nan 0.000 0.463 88 M N 2.044 121.705 119.600 0.101 0.000 2.240 88 M HA 0.186 4.667 4.480 0.001 0.000 0.333 88 M C 0.898 177.247 176.300 0.081 0.000 1.110 88 M CA 0.556 55.917 55.300 0.103 0.000 1.173 88 M CB 0.732 33.451 32.600 0.198 0.000 1.458 88 M HN 0.994 nan 8.290 nan 0.000 0.458 89 T N -3.435 111.178 114.554 0.099 0.000 3.044 89 T HA 0.181 4.532 4.350 0.001 0.000 0.260 89 T C -0.037 174.794 174.700 0.219 0.000 1.019 89 T CA -0.188 61.985 62.100 0.121 0.000 0.921 89 T CB 0.215 69.159 68.868 0.126 0.000 1.053 89 T HN 0.575 nan 8.240 nan 0.000 0.533 90 D N 1.389 121.942 120.400 0.255 0.000 2.319 90 D HA 0.233 4.873 4.640 0.001 0.000 0.237 90 D C 1.177 177.653 176.300 0.294 0.000 1.353 90 D CA 0.071 54.252 54.000 0.302 0.000 0.992 90 D CB 1.586 42.610 40.800 0.374 0.000 1.368 90 D HN 0.147 nan 8.370 nan 0.000 0.564 91 S N 3.137 118.999 115.700 0.270 0.000 2.383 91 S HA -0.163 4.307 4.470 0.001 0.000 0.229 91 S C 1.971 176.737 174.600 0.277 0.000 1.030 91 S CA 0.420 58.766 58.200 0.243 0.000 1.002 91 S CB -0.588 62.743 63.200 0.218 0.000 0.829 91 S HN 0.732 nan 8.310 nan 0.000 0.467 92 W N 2.606 124.001 121.300 0.157 0.000 2.354 92 W HA -0.116 4.545 4.660 0.001 0.000 0.315 92 W C 2.465 179.060 176.519 0.125 0.000 1.206 92 W CA 1.585 59.015 57.345 0.142 0.000 1.290 92 W CB -0.676 28.889 29.460 0.176 0.000 1.152 92 W HN 0.459 nan 8.180 nan 0.000 0.489 93 A N 0.714 123.613 122.820 0.132 0.000 1.897 93 A HA -0.191 4.129 4.320 0.001 0.000 0.215 93 A C 1.676 179.301 177.584 0.070 0.000 1.181 93 A CA 1.941 53.965 52.037 -0.022 0.000 0.620 93 A CB -0.954 18.131 19.000 0.142 0.000 0.821 93 A HN 0.281 nan 8.150 nan 0.000 0.443 94 D N -0.091 120.413 120.400 0.173 0.000 2.091 94 D HA -0.073 4.567 4.640 0.001 0.000 0.199 94 D C 1.770 178.078 176.300 0.013 0.000 0.980 94 D CA 1.993 56.101 54.000 0.181 0.000 0.831 94 D CB -0.189 40.756 40.800 0.241 0.000 0.987 94 D HN 0.700 nan 8.370 nan 0.000 0.460 95 I N -3.400 117.173 120.570 0.005 0.000 4.557 95 I HA 0.296 4.466 4.170 0.001 0.000 0.333 95 I C 1.191 177.332 176.117 0.041 0.000 1.332 95 I CA -0.104 61.160 61.300 -0.060 0.000 1.240 95 I CB 0.480 38.405 38.000 -0.125 0.000 1.312 95 I HN -0.249 nan 8.210 nan 0.000 0.457 96 E N 2.063 122.288 120.200 0.041 0.000 2.162 96 E HA 0.120 4.471 4.350 0.001 0.000 0.193 96 E C 0.611 177.121 176.600 -0.151 0.000 0.953 96 E CA -0.199 56.258 56.400 0.094 0.000 0.849 96 E CB 0.355 30.187 29.700 0.220 0.000 0.810 96 E HN 0.258 nan 8.360 nan 0.000 0.470 97 K N 1.737 121.727 120.400 -0.683 0.000 2.550 97 K HA -0.074 4.246 4.320 0.001 0.000 0.280 97 K C -0.813 175.456 176.600 -0.551 0.000 0.987 97 K CA 0.537 56.100 56.287 -1.206 0.000 1.048 97 K CB 0.280 31.804 32.500 -1.627 0.000 0.879 97 K HN 0.148 nan 8.250 nan 0.000 0.491 98 H N 2.512 121.184 119.070 -0.663 0.000 2.458 98 H HA 0.204 4.760 4.556 0.001 0.000 0.330 98 H C -0.956 174.043 175.328 -0.548 0.000 1.111 98 H CA -0.882 54.846 56.048 -0.534 0.000 1.245 98 H CB 0.829 30.289 29.762 -0.505 0.000 1.456 98 H HN 0.469 nan 8.280 nan 0.000 0.488 99 Y N 1.721 121.909 120.300 -0.186 0.000 2.587 99 Y HA 0.234 4.784 4.550 0.001 0.000 0.337 99 Y C -2.011 173.783 175.900 -0.176 0.000 1.065 99 Y CA -2.695 55.313 58.100 -0.153 0.000 1.126 99 Y CB 0.854 39.222 38.460 -0.154 0.000 1.279 99 Y HN 0.583 nan 8.280 nan 0.000 0.489 100 P HA 0.126 nan 4.420 nan 0.000 0.261 100 P C 0.443 177.705 177.300 -0.063 0.000 1.183 100 P CA 1.826 64.911 63.100 -0.025 0.000 0.761 100 P CB 0.259 31.957 31.700 -0.003 0.000 0.785 101 G N 1.997 110.729 108.800 -0.114 0.000 2.211 101 G HA2 -0.143 3.817 3.960 0.001 0.000 0.201 101 G HA3 -0.143 3.817 3.960 0.001 0.000 0.201 101 G C -0.255 174.531 174.900 -0.191 0.000 0.997 101 G CA -0.485 44.543 45.100 -0.121 0.000 0.652 101 G HN 0.494 nan 8.290 nan 0.000 0.500 102 D N 0.732 120.926 120.400 -0.344 0.000 2.175 102 D HA 0.676 5.317 4.640 0.001 0.000 0.248 102 D C -0.070 175.747 176.300 -0.804 0.000 1.047 102 D CA 0.532 54.143 54.000 -0.648 0.000 0.883 102 D CB 1.767 41.841 40.800 -1.210 0.000 1.180 102 D HN 0.245 nan 8.370 nan 0.000 0.438 103 S N 0.977 116.260 115.700 -0.695 0.000 2.550 103 S HA 0.258 4.728 4.470 0.001 0.000 0.270 103 S C -0.659 173.737 174.600 -0.339 0.000 1.145 103 S CA -0.837 57.057 58.200 -0.510 0.000 0.852 103 S CB 0.494 63.571 63.200 -0.205 0.000 1.119 103 S HN 0.549 nan 8.310 nan 0.000 0.465 104 W N 2.026 123.350 121.300 0.040 0.000 3.077 104 W HA 0.080 4.741 4.660 0.001 0.000 0.245 104 W C 2.384 178.947 176.519 0.074 0.000 1.316 104 W CA 0.328 57.717 57.345 0.073 0.000 1.537 104 W CB 0.014 29.503 29.460 0.049 0.000 1.131 104 W HN 0.848 nan 8.180 nan 0.000 0.695 105 S N -0.637 115.188 115.700 0.209 0.000 2.442 105 S HA -0.145 4.326 4.470 0.001 0.000 0.236 105 S C 0.502 175.189 174.600 0.146 0.000 1.007 105 S CA 0.708 58.995 58.200 0.146 0.000 0.965 105 S CB -0.479 62.769 63.200 0.080 0.000 0.773 105 S HN 0.032 nan 8.310 nan 0.000 0.504 106 D N 3.609 124.117 120.400 0.180 0.000 2.472 106 D HA 0.147 4.787 4.640 0.001 0.000 0.248 106 D C 0.720 177.125 176.300 0.176 0.000 1.174 106 D CA 0.661 54.762 54.000 0.168 0.000 0.883 106 D CB 1.043 41.974 40.800 0.218 0.000 1.149 106 D HN 0.593 nan 8.370 nan 0.000 0.488 107 T N -0.558 114.065 114.554 0.115 0.000 2.816 107 T HA 0.554 4.905 4.350 0.001 0.000 0.282 107 T C 0.951 175.705 174.700 0.091 0.000 0.993 107 T CA -0.036 62.122 62.100 0.097 0.000 0.994 107 T CB 1.556 70.463 68.868 0.064 0.000 1.025 107 T HN 0.610 nan 8.240 nan 0.000 0.529 108 G N 1.539 110.384 108.800 0.076 0.000 2.553 108 G HA2 -0.208 3.752 3.960 0.001 0.000 0.242 108 G HA3 -0.208 3.752 3.960 0.001 0.000 0.242 108 G C -0.398 174.557 174.900 0.092 0.000 1.277 108 G CA -0.012 45.126 45.100 0.063 0.000 0.910 108 G HN 1.159 nan 8.290 nan 0.000 0.576 109 N N 1.640 120.389 118.700 0.081 0.000 2.424 109 N HA 0.493 5.233 4.740 0.001 0.000 0.271 109 N C -0.569 175.064 175.510 0.205 0.000 0.985 109 N CA -0.501 52.627 53.050 0.130 0.000 0.921 109 N CB 0.416 38.928 38.487 0.042 0.000 1.149 109 N HN 0.611 nan 8.380 nan 0.000 0.492 110 N N 1.461 120.300 118.700 0.232 0.000 2.265 110 N HA 0.367 5.108 4.740 0.001 0.000 0.300 110 N C -1.544 173.791 175.510 -0.291 0.000 1.148 110 N CA -0.556 52.499 53.050 0.007 0.000 0.772 110 N CB 2.522 40.950 38.487 -0.098 0.000 1.434 110 N HN 0.226 nan 8.380 nan 0.000 0.481 111 V N 1.961 121.438 119.914 -0.728 0.000 2.513 111 V HA 0.524 4.645 4.120 0.001 0.000 0.299 111 V C -1.204 174.326 176.094 -0.941 0.000 1.035 111 V CA -0.071 61.702 62.300 -0.878 0.000 0.889 111 V CB 0.593 31.739 31.823 -1.128 0.000 0.988 111 V HN 0.631 nan 8.190 nan 0.000 0.440 112 Y N 4.091 124.271 120.300 -0.200 0.000 3.334 112 Y HA 0.823 5.374 4.550 0.001 0.000 0.288 112 Y C 1.346 177.154 175.900 -0.153 0.000 1.847 112 Y CA 0.319 58.327 58.100 -0.153 0.000 0.836 112 Y CB -0.171 38.254 38.460 -0.058 0.000 1.351 112 Y HN 0.946 nan 8.280 nan 0.000 0.673 113 G N 0.225 109.074 108.800 0.081 0.000 2.578 113 G HA2 -0.300 3.660 3.960 0.001 0.000 0.275 113 G HA3 -0.300 3.660 3.960 0.001 0.000 0.275 113 G C 0.895 175.828 174.900 0.055 0.000 1.271 113 G CA 0.073 45.164 45.100 -0.015 0.000 0.941 113 G HN 0.805 nan 8.290 nan 0.000 0.564 114 C N 0.088 119.385 119.300 -0.004 0.000 2.435 114 C HA 0.038 4.499 4.460 0.001 0.000 0.279 114 C C 3.002 177.783 174.990 -0.348 0.000 1.321 114 C CA 1.027 59.952 59.018 -0.155 0.000 1.752 114 C CB -1.385 26.332 27.740 -0.037 0.000 1.959 114 C HN 0.513 nan 8.230 nan 0.000 0.500 115 I N 1.762 122.126 120.570 -0.344 0.000 2.163 115 I HA -0.204 3.967 4.170 0.001 0.000 0.243 115 I C 2.556 178.456 176.117 -0.363 0.000 1.085 115 I CA 1.733 62.772 61.300 -0.435 0.000 1.347 115 I CB -1.299 36.446 38.000 -0.427 0.000 1.044 115 I HN 0.457 nan 8.210 nan 0.000 0.408 116 K N 0.463 120.684 120.400 -0.298 0.000 2.057 116 K HA -0.204 4.116 4.320 0.001 0.000 0.207 116 K C 2.096 178.587 176.600 -0.182 0.000 1.049 116 K CA 1.229 57.370 56.287 -0.244 0.000 0.931 116 K CB 0.069 32.437 32.500 -0.221 0.000 0.714 116 K HN 0.232 nan 8.250 nan 0.000 0.440 117 Q N 0.745 120.406 119.800 -0.232 0.000 2.124 117 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 117 Q C 2.270 178.095 176.000 -0.291 0.000 0.977 117 Q CA 1.258 56.886 55.803 -0.291 0.000 0.850 117 Q CB -0.253 28.219 28.738 -0.444 0.000 0.901 117 Q HN 0.402 nan 8.270 nan 0.000 0.429 118 L N -0.744 120.283 121.223 -0.326 0.000 2.056 118 L HA -0.191 4.149 4.340 0.001 0.000 0.207 118 L C 2.390 179.135 176.870 -0.208 0.000 1.078 118 L CA 1.207 55.866 54.840 -0.301 0.000 0.749 118 L CB -0.551 41.300 42.059 -0.348 0.000 0.901 118 L HN 0.161 nan 8.230 nan 0.000 0.433 119 Y N 0.558 120.681 120.300 -0.295 0.000 2.224 119 Y HA -0.232 4.318 4.550 0.001 0.000 0.289 119 Y C 2.323 178.118 175.900 -0.174 0.000 1.146 119 Y CA 1.419 59.374 58.100 -0.241 0.000 1.182 119 Y CB -0.091 38.202 38.460 -0.279 0.000 0.983 119 Y HN 0.007 nan 8.280 nan 0.000 0.524 120 L N -0.555 120.610 121.223 -0.097 0.000 2.083 120 L HA -0.264 4.077 4.340 0.001 0.000 0.209 120 L C 2.373 179.124 176.870 -0.199 0.000 1.083 120 L CA 1.232 55.992 54.840 -0.133 0.000 0.752 120 L CB -0.628 41.368 42.059 -0.105 0.000 0.899 120 L HN 0.305 nan 8.230 nan 0.000 0.433 121 L N -0.452 120.648 121.223 -0.205 0.000 2.083 121 L HA -0.219 4.121 4.340 0.001 0.000 0.209 121 L C 2.579 179.337 176.870 -0.187 0.000 1.083 121 L CA 1.305 56.036 54.840 -0.182 0.000 0.752 121 L CB -0.475 41.475 42.059 -0.182 0.000 0.899 121 L HN 0.228 nan 8.230 nan 0.000 0.433 122 K N 0.205 120.454 120.400 -0.251 0.000 2.147 122 K HA -0.165 4.156 4.320 0.001 0.000 0.205 122 K C 2.107 178.545 176.600 -0.270 0.000 1.049 122 K CA 1.182 57.315 56.287 -0.257 0.000 0.936 122 K CB -0.001 32.301 32.500 -0.329 0.000 0.722 122 K HN 0.294 nan 8.250 nan 0.000 0.446 123 K N 0.657 120.853 120.400 -0.340 0.000 2.103 123 K HA -0.136 4.185 4.320 0.001 0.000 0.204 123 K C 2.042 178.558 176.600 -0.140 0.000 1.052 123 K CA 1.200 57.341 56.287 -0.244 0.000 0.945 123 K CB 0.056 32.423 32.500 -0.223 0.000 0.722 123 K HN 0.136 nan 8.250 nan 0.000 0.443 124 Q N 0.193 119.914 119.800 -0.131 0.000 2.389 124 Q HA 0.047 4.388 4.340 0.001 0.000 0.204 124 Q C -0.304 175.653 176.000 -0.072 0.000 0.944 124 Q CA 0.568 56.317 55.803 -0.090 0.000 0.908 124 Q CB 0.418 29.103 28.738 -0.088 0.000 1.002 124 Q HN 0.211 nan 8.270 nan 0.000 0.493 125 N N 0.273 118.925 118.700 -0.081 0.000 2.640 125 N HA 0.156 4.896 4.740 0.001 0.000 0.262 125 N C -0.372 175.104 175.510 -0.056 0.000 1.174 125 N CA -0.245 52.774 53.050 -0.053 0.000 0.791 125 N CB 1.106 39.567 38.487 -0.043 0.000 1.279 125 N HN -0.036 nan 8.380 nan 0.000 0.535 126 R N 0.525 120.999 120.500 -0.045 0.000 2.293 126 R HA -0.057 4.283 4.340 0.001 0.000 0.219 126 R C 1.026 177.311 176.300 -0.026 0.000 1.091 126 R CA 0.696 56.773 56.100 -0.039 0.000 1.004 126 R CB -0.478 29.805 30.300 -0.027 0.000 0.865 126 R HN 0.472 nan 8.270 nan 0.000 0.469 127 N N 0.129 118.818 118.700 -0.017 0.000 2.280 127 N HA -0.011 4.730 4.740 0.001 0.000 0.192 127 N C -0.673 174.801 175.510 -0.060 0.000 1.109 127 N CA -0.048 52.993 53.050 -0.015 0.000 0.855 127 N CB 0.256 38.762 38.487 0.032 0.000 0.974 127 N HN -0.037 nan 8.380 nan 0.000 0.482 128 L N 1.234 122.419 121.223 -0.062 0.000 2.255 128 L HA 0.430 4.770 4.340 0.001 0.000 0.289 128 L C -0.786 176.032 176.870 -0.088 0.000 1.046 128 L CA -0.420 54.368 54.840 -0.087 0.000 0.816 128 L CB 0.465 42.488 42.059 -0.061 0.000 1.197 128 L HN -0.159 nan 8.230 nan 0.000 0.427 129 K N 3.131 123.444 120.400 -0.144 0.000 2.130 129 K HA 0.673 4.993 4.320 0.001 0.000 0.268 129 K C -1.134 175.498 176.600 0.053 0.000 0.983 129 K CA -0.372 55.893 56.287 -0.036 0.000 0.893 129 K CB 1.893 34.357 32.500 -0.061 0.000 1.066 129 K HN 0.360 nan 8.250 nan 0.000 0.450 130 V N 4.368 124.362 119.914 0.134 0.000 2.407 130 V HA 0.399 4.520 4.120 0.001 0.000 0.291 130 V C -1.009 175.238 176.094 0.255 0.000 1.018 130 V CA -0.929 61.477 62.300 0.177 0.000 0.842 130 V CB 1.061 32.978 31.823 0.157 0.000 0.996 130 V HN 0.462 nan 8.190 nan 0.000 0.426 131 L N 4.929 126.235 121.223 0.138 0.000 2.334 131 L HA 0.601 4.942 4.340 0.001 0.000 0.273 131 L C -0.400 176.305 176.870 -0.276 0.000 1.013 131 L CA -0.553 54.280 54.840 -0.012 0.000 0.816 131 L CB 1.624 43.700 42.059 0.029 0.000 1.278 131 L HN 0.552 nan 8.230 nan 0.000 0.431 132 L N 1.410 122.246 121.223 -0.644 0.000 2.281 132 L HA 0.487 4.828 4.340 0.001 0.000 0.285 132 L C 0.181 176.957 176.870 -0.157 0.000 1.074 132 L CA 0.565 54.992 54.840 -0.689 0.000 0.817 132 L CB 1.139 42.596 42.059 -1.004 0.000 1.168 132 L HN 0.604 nan 8.230 nan 0.000 0.434 133 S N 5.770 121.497 115.700 0.044 0.000 2.457 133 S HA 0.645 5.116 4.470 0.001 0.000 0.289 133 S C -0.340 174.522 174.600 0.436 0.000 1.163 133 S CA -0.600 57.776 58.200 0.294 0.000 1.078 133 S CB 0.103 63.568 63.200 0.441 0.000 0.987 133 S HN 0.543 nan 8.310 nan 0.000 0.482 134 I N 4.766 125.590 120.570 0.423 0.000 2.378 134 I HA 0.658 4.829 4.170 0.001 0.000 0.291 134 I C 0.913 177.293 176.117 0.439 0.000 0.992 134 I CA -0.177 61.347 61.300 0.374 0.000 1.154 134 I CB 1.358 39.537 38.000 0.299 0.000 1.315 134 I HN 0.938 nan 8.210 nan 0.000 0.448 135 G N 4.083 113.012 108.800 0.215 0.000 2.541 135 G HA2 0.359 4.320 3.960 0.001 0.000 0.208 135 G HA3 0.359 4.320 3.960 0.001 0.000 0.208 135 G C -0.007 174.515 174.900 -0.630 0.000 1.191 135 G CA 0.070 45.200 45.100 0.049 0.000 1.217 135 G HN 1.571 nan 8.290 nan 0.000 0.566 136 G N -2.114 106.236 108.800 -0.750 0.000 2.655 136 G HA2 0.098 4.059 3.960 0.001 0.000 0.680 136 G HA3 0.098 4.059 3.960 0.001 0.000 0.680 136 G C 0.747 175.376 174.900 -0.452 0.000 1.302 136 G CA 0.488 44.939 45.100 -1.081 0.000 0.872 136 G HN 1.899 nan 8.290 nan 0.000 0.540 137 W N 0.004 121.040 121.300 -0.441 0.000 2.332 137 W HA -0.152 4.509 4.660 0.001 0.000 0.321 137 W C 2.345 178.692 176.519 -0.287 0.000 1.219 137 W CA 2.895 60.055 57.345 -0.309 0.000 1.277 137 W CB -0.798 28.520 29.460 -0.236 0.000 1.161 137 W HN 0.642 nan 8.180 nan 0.000 0.476 138 T N 0.461 114.859 114.554 -0.259 0.000 2.788 138 T HA -0.239 4.111 4.350 0.001 0.000 0.268 138 T C 1.352 175.872 174.700 -0.300 0.000 1.044 138 T CA 1.808 63.717 62.100 -0.317 0.000 1.139 138 T CB -0.603 68.047 68.868 -0.363 0.000 0.867 138 T HN 0.089 nan 8.240 nan 0.000 0.454 139 Y N 1.114 121.232 120.300 -0.304 0.000 2.519 139 Y HA 0.251 4.802 4.550 0.001 0.000 0.287 139 Y C 2.725 178.344 175.900 -0.468 0.000 1.128 139 Y CA -0.842 57.036 58.100 -0.369 0.000 1.282 139 Y CB -0.948 37.272 38.460 -0.401 0.000 1.027 139 Y HN 0.105 nan 8.280 nan 0.000 0.551 140 S N 0.708 116.237 115.700 -0.285 0.000 2.420 140 S HA -0.141 4.330 4.470 0.001 0.000 0.237 140 S C -0.628 173.805 174.600 -0.278 0.000 1.023 140 S CA 1.333 59.398 58.200 -0.224 0.000 0.991 140 S CB -1.045 62.028 63.200 -0.210 0.000 0.792 140 S HN 0.357 nan 8.310 nan 0.000 0.488 141 P HA 0.023 nan 4.420 nan 0.000 0.228 141 P C 0.721 177.882 177.300 -0.232 0.000 1.151 141 P CA 0.763 63.736 63.100 -0.212 0.000 0.770 141 P CB -0.061 31.530 31.700 -0.181 0.000 0.786 142 N N -1.907 116.588 118.700 -0.340 0.000 2.422 142 N HA 0.038 4.778 4.740 0.001 0.000 0.181 142 N C 1.198 176.425 175.510 -0.473 0.000 1.080 142 N CA 0.530 53.361 53.050 -0.366 0.000 0.893 142 N CB -0.527 37.729 38.487 -0.385 0.000 0.973 142 N HN 0.160 nan 8.380 nan 0.000 0.456 143 F N 1.930 121.491 119.950 -0.647 0.000 2.084 143 F HA -0.025 4.502 4.527 0.001 0.000 0.296 143 F C 2.447 177.706 175.800 -0.903 0.000 1.111 143 F CA 0.869 58.208 58.000 -1.101 0.000 1.224 143 F CB -0.852 36.696 39.000 -2.419 0.000 0.991 143 F HN -0.005 nan 8.300 nan 0.000 0.471 144 A N 0.409 123.007 122.820 -0.370 0.000 1.873 144 A HA -0.193 4.128 4.320 0.001 0.000 0.218 144 A C -0.016 177.553 177.584 -0.026 0.000 1.193 144 A CA 2.154 54.195 52.037 0.007 0.000 0.629 144 A CB -2.100 16.980 19.000 0.134 0.000 0.826 144 A HN 0.249 nan 8.150 nan 0.000 0.447 145 P HA -0.107 nan 4.420 nan 0.000 0.214 145 P C 1.845 179.118 177.300 -0.044 0.000 1.162 145 P CA 2.000 65.073 63.100 -0.045 0.000 0.879 145 P CB -0.188 31.475 31.700 -0.063 0.000 0.786 146 A N 0.104 122.874 122.820 -0.082 0.000 1.892 146 A HA -0.166 4.155 4.320 0.001 0.000 0.218 146 A C 2.231 179.807 177.584 -0.013 0.000 1.188 146 A CA 2.335 54.348 52.037 -0.039 0.000 0.631 146 A CB -1.680 17.296 19.000 -0.041 0.000 0.822 146 A HN 0.223 nan 8.150 nan 0.000 0.447 147 A N -0.085 122.706 122.820 -0.047 0.000 2.251 147 A HA 0.231 4.552 4.320 0.001 0.000 0.209 147 A C 2.097 179.713 177.584 0.054 0.000 1.187 147 A CA 1.232 53.269 52.037 -0.000 0.000 0.823 147 A CB -0.675 18.339 19.000 0.023 0.000 0.846 147 A HN 0.902 nan 8.150 nan 0.000 0.486 148 S N -0.264 115.462 115.700 0.044 0.000 2.481 148 S HA 0.002 4.473 4.470 0.001 0.000 0.231 148 S C 0.986 175.613 174.600 0.044 0.000 0.996 148 S CA 0.942 59.174 58.200 0.053 0.000 0.942 148 S CB -0.742 62.483 63.200 0.041 0.000 0.768 148 S HN 0.764 nan 8.310 nan 0.000 0.520 149 T N -1.942 112.634 114.554 0.038 0.000 2.916 149 T HA 0.495 4.846 4.350 0.001 0.000 0.292 149 T C 0.192 174.917 174.700 0.041 0.000 1.055 149 T CA -0.370 61.752 62.100 0.036 0.000 1.009 149 T CB 1.756 70.641 68.868 0.029 0.000 1.118 149 T HN -0.043 nan 8.240 nan 0.000 0.497 150 D N 1.162 121.587 120.400 0.040 0.000 2.144 150 D HA -0.033 4.607 4.640 0.001 0.000 0.199 150 D C 2.193 178.522 176.300 0.048 0.000 0.984 150 D CA 1.754 55.780 54.000 0.044 0.000 0.834 150 D CB -0.330 40.493 40.800 0.039 0.000 0.955 150 D HN 0.721 nan 8.370 nan 0.000 0.465 151 A N -0.038 122.807 122.820 0.042 0.000 1.898 151 A HA 0.081 4.401 4.320 0.001 0.000 0.216 151 A C 2.359 179.976 177.584 0.055 0.000 1.181 151 A CA 1.801 53.864 52.037 0.043 0.000 0.620 151 A CB -1.274 17.745 19.000 0.031 0.000 0.819 151 A HN 0.356 nan 8.150 nan 0.000 0.442 152 G N -0.342 108.490 108.800 0.052 0.000 2.433 152 G HA2 -0.242 3.719 3.960 0.001 0.000 0.216 152 G HA3 -0.242 3.719 3.960 0.001 0.000 0.216 152 G C 1.769 176.734 174.900 0.109 0.000 1.186 152 G CA 0.915 46.056 45.100 0.068 0.000 0.779 152 G HN 0.556 nan 8.290 nan 0.000 0.543 153 R N 0.414 120.963 120.500 0.081 0.000 2.091 153 R HA -0.035 4.306 4.340 0.001 0.000 0.238 153 R C 2.662 179.043 176.300 0.135 0.000 1.136 153 R CA 1.460 57.608 56.100 0.080 0.000 0.959 153 R CB -0.266 30.061 30.300 0.046 0.000 0.856 153 R HN 0.315 nan 8.270 nan 0.000 0.437 154 K N 0.126 120.591 120.400 0.108 0.000 2.097 154 K HA -0.122 4.198 4.320 0.001 0.000 0.205 154 K C 1.833 178.508 176.600 0.125 0.000 1.050 154 K CA 1.323 57.675 56.287 0.109 0.000 0.938 154 K CB -0.172 32.375 32.500 0.077 0.000 0.718 154 K HN 0.053 nan 8.250 nan 0.000 0.442 155 N N 0.638 119.410 118.700 0.120 0.000 2.270 155 N HA -0.136 4.604 4.740 0.001 0.000 0.181 155 N C 1.468 177.060 175.510 0.137 0.000 1.016 155 N CA 0.676 53.785 53.050 0.100 0.000 0.870 155 N CB -0.107 38.420 38.487 0.068 0.000 0.979 155 N HN 0.075 nan 8.380 nan 0.000 0.431 156 F N 1.137 121.103 119.950 0.027 0.000 2.075 156 F HA -0.050 4.477 4.527 0.001 0.000 0.297 156 F C 2.139 177.965 175.800 0.043 0.000 1.113 156 F CA 1.662 59.682 58.000 0.033 0.000 1.218 156 F CB -0.836 38.191 39.000 0.046 0.000 0.984 156 F HN 0.090 nan 8.300 nan 0.000 0.472 157 A N 0.205 123.289 122.820 0.441 0.000 1.902 157 A HA -0.246 4.074 4.320 0.001 0.000 0.217 157 A C 2.344 180.007 177.584 0.132 0.000 1.181 157 A CA 1.982 54.195 52.037 0.293 0.000 0.623 157 A CB -0.932 18.200 19.000 0.221 0.000 0.818 157 A HN 0.498 nan 8.150 nan 0.000 0.443 158 K N -0.485 119.976 120.400 0.101 0.000 2.026 158 K HA -0.167 4.153 4.320 0.001 0.000 0.208 158 K C 2.203 178.808 176.600 0.009 0.000 1.048 158 K CA 2.133 58.452 56.287 0.054 0.000 0.929 158 K CB -0.394 32.138 32.500 0.052 0.000 0.713 158 K HN 0.631 nan 8.250 nan 0.000 0.439 159 T N -1.387 113.159 114.554 -0.013 0.000 2.821 159 T HA -0.013 4.338 4.350 0.001 0.000 0.267 159 T C 2.039 176.688 174.700 -0.084 0.000 1.046 159 T CA 0.978 63.047 62.100 -0.051 0.000 1.139 159 T CB -0.350 68.477 68.868 -0.068 0.000 0.871 159 T HN 0.261 nan 8.240 nan 0.000 0.454 160 A N 1.137 123.879 122.820 -0.131 0.000 1.898 160 A HA 0.116 4.436 4.320 0.001 0.000 0.216 160 A C 2.584 180.125 177.584 -0.071 0.000 1.181 160 A CA 1.413 53.366 52.037 -0.140 0.000 0.620 160 A CB -0.970 17.918 19.000 -0.187 0.000 0.819 160 A HN 0.417 nan 8.150 nan 0.000 0.442 161 V N 0.270 120.146 119.914 -0.062 0.000 2.667 161 V HA -0.184 3.936 4.120 0.001 0.000 0.252 161 V C 2.494 178.472 176.094 -0.194 0.000 1.065 161 V CA 2.206 64.427 62.300 -0.132 0.000 1.083 161 V CB -0.570 31.203 31.823 -0.084 0.000 0.692 161 V HN 0.633 nan 8.190 nan 0.000 0.468 162 K N 0.974 121.310 120.400 -0.106 0.000 2.057 162 K HA -0.111 4.210 4.320 0.001 0.000 0.207 162 K C 1.892 178.448 176.600 -0.073 0.000 1.049 162 K CA 1.699 57.932 56.287 -0.089 0.000 0.931 162 K CB -0.595 31.880 32.500 -0.043 0.000 0.714 162 K HN 0.400 nan 8.250 nan 0.000 0.440 163 L N 0.411 121.620 121.223 -0.023 0.000 2.046 163 L HA -0.147 4.194 4.340 0.001 0.000 0.208 163 L C 2.496 179.409 176.870 0.071 0.000 1.077 163 L CA 1.212 56.088 54.840 0.061 0.000 0.747 163 L CB -0.492 41.641 42.059 0.123 0.000 0.896 163 L HN 0.266 nan 8.230 nan 0.000 0.432 164 L N 0.124 121.368 121.223 0.034 0.000 2.017 164 L HA -0.269 4.071 4.340 0.001 0.000 0.208 164 L C 2.847 179.610 176.870 -0.178 0.000 1.073 164 L CA 1.687 56.532 54.840 0.008 0.000 0.745 164 L CB -0.306 41.665 42.059 -0.146 0.000 0.894 164 L HN 0.395 nan 8.230 nan 0.000 0.432 165 Q N -1.448 118.174 119.800 -0.297 0.000 2.224 165 Q HA -0.205 4.135 4.340 0.001 0.000 0.203 165 Q C 1.233 177.231 176.000 -0.004 0.000 0.970 165 Q CA 1.710 57.409 55.803 -0.173 0.000 0.865 165 Q CB -0.248 28.289 28.738 -0.335 0.000 0.922 165 Q HN 0.484 nan 8.270 nan 0.000 0.445 166 D N 0.976 121.325 120.400 -0.085 0.000 2.201 166 D HA 0.059 4.699 4.640 0.001 0.000 0.209 166 D C 1.709 177.939 176.300 -0.116 0.000 0.961 166 D CA 0.788 54.763 54.000 -0.042 0.000 0.861 166 D CB 0.207 41.015 40.800 0.013 0.000 0.997 166 D HN 0.274 nan 8.370 nan 0.000 0.486 167 L N -0.348 120.683 121.223 -0.320 0.000 2.592 167 L HA 0.289 4.630 4.340 0.001 0.000 0.227 167 L C 1.030 177.273 176.870 -1.045 0.000 1.127 167 L CA 0.135 54.588 54.840 -0.645 0.000 0.884 167 L CB 0.111 41.760 42.059 -0.684 0.000 1.065 167 L HN 0.046 nan 8.230 nan 0.000 0.457 168 G N 0.201 108.305 108.800 -1.160 0.000 2.212 168 G HA2 -0.282 3.679 3.960 0.001 0.000 0.255 168 G HA3 -0.282 3.679 3.960 0.001 0.000 0.255 168 G C -0.106 174.296 174.900 -0.830 0.000 1.062 168 G CA -0.374 43.781 45.100 -1.575 0.000 0.815 168 G HN 0.113 nan 8.290 nan 0.000 0.497 169 F N 0.117 119.888 119.950 -0.298 0.000 2.371 169 F HA 0.434 4.961 4.527 0.001 0.000 0.329 169 F C 1.324 177.200 175.800 0.128 0.000 1.107 169 F CA -1.128 56.838 58.000 -0.057 0.000 1.137 169 F CB 0.830 39.788 39.000 -0.071 0.000 1.214 169 F HN 0.015 nan 8.300 nan 0.000 0.536 170 D N 0.679 121.328 120.400 0.415 0.000 2.339 170 D HA 0.273 4.914 4.640 0.001 0.000 0.217 170 D C 0.858 177.411 176.300 0.422 0.000 1.050 170 D CA 0.557 54.839 54.000 0.471 0.000 0.856 170 D CB 0.699 41.709 40.800 0.349 0.000 0.922 170 D HN 0.689 nan 8.370 nan 0.000 0.518 171 G N -0.022 108.926 108.800 0.247 0.000 2.317 171 G HA2 0.388 4.348 3.960 0.001 0.000 0.293 171 G HA3 0.388 4.348 3.960 0.001 0.000 0.293 171 G C -2.036 172.884 174.900 0.032 0.000 1.287 171 G CA -0.861 44.326 45.100 0.145 0.000 0.850 171 G HN 0.036 nan 8.290 nan 0.000 0.515 172 L N 0.243 121.473 121.223 0.011 0.000 2.401 172 L HA 0.628 4.968 4.340 0.001 0.000 0.266 172 L C -1.385 175.489 176.870 0.007 0.000 0.991 172 L CA -0.816 54.020 54.840 -0.006 0.000 0.818 172 L CB 2.478 44.564 42.059 0.045 0.000 1.321 172 L HN 0.674 nan 8.230 nan 0.000 0.413 173 D N 2.494 122.920 120.400 0.043 0.000 2.375 173 D HA 0.583 5.224 4.640 0.001 0.000 0.247 173 D C -1.079 175.348 176.300 0.211 0.000 1.061 173 D CA -0.218 53.830 54.000 0.079 0.000 0.834 173 D CB 1.526 42.379 40.800 0.089 0.000 1.247 173 D HN 0.324 nan 8.370 nan 0.000 0.489 174 I N 2.915 123.614 120.570 0.214 0.000 2.362 174 I HA 0.278 4.448 4.170 0.001 0.000 0.289 174 I C -0.766 175.506 176.117 0.259 0.000 0.994 174 I CA -0.802 60.673 61.300 0.290 0.000 1.158 174 I CB 1.708 39.889 38.000 0.301 0.000 1.315 174 I HN 0.274 nan 8.210 nan 0.000 0.451 175 D N 6.476 127.040 120.400 0.273 0.000 2.479 175 D HA 0.128 4.768 4.640 0.001 0.000 0.247 175 D C -0.939 175.385 176.300 0.039 0.000 1.119 175 D CA -0.150 53.970 54.000 0.201 0.000 0.922 175 D CB 0.666 41.638 40.800 0.287 0.000 1.014 175 D HN 0.327 nan 8.370 nan 0.000 0.510 176 W N 2.720 123.743 121.300 -0.461 0.000 2.308 176 W HA 0.297 4.957 4.660 0.001 0.000 0.311 176 W C -0.595 175.639 176.519 -0.476 0.000 1.088 176 W CA -0.967 55.906 57.345 -0.786 0.000 1.309 176 W CB 0.326 28.907 29.460 -1.464 0.000 1.229 176 W HN 0.211 nan 8.180 nan 0.000 0.427 177 E N 6.496 126.613 120.200 -0.138 0.000 2.267 177 E HA 0.260 4.610 4.350 0.001 0.000 0.241 177 E C -1.455 174.815 176.600 -0.549 0.000 0.950 177 E CA -0.297 55.514 56.400 -0.981 0.000 0.776 177 E CB 0.868 29.950 29.700 -1.029 0.000 1.207 177 E HN 0.233 nan 8.360 nan 0.000 0.436 178 Y N -0.026 120.330 120.300 0.093 0.000 2.609 178 Y HA 0.315 4.866 4.550 0.001 0.000 0.336 178 Y C -2.508 173.241 175.900 -0.252 0.000 1.129 178 Y CA -3.044 55.028 58.100 -0.047 0.000 1.040 178 Y CB 0.848 39.283 38.460 -0.041 0.000 1.310 178 Y HN 0.255 nan 8.280 nan 0.000 0.460 179 P HA 0.075 nan 4.420 nan 0.000 0.261 179 P C -0.067 177.128 177.300 -0.176 0.000 1.183 179 P CA 0.529 63.248 63.100 -0.634 0.000 0.761 179 P CB 0.631 31.880 31.700 -0.751 0.000 0.785 180 E N 1.863 122.029 120.200 -0.057 0.000 2.340 180 E HA -0.019 4.331 4.350 0.001 0.000 0.194 180 E C 0.441 177.031 176.600 -0.017 0.000 0.996 180 E CA 0.454 56.853 56.400 -0.000 0.000 0.869 180 E CB 0.067 29.797 29.700 0.050 0.000 0.835 180 E HN 0.587 nan 8.360 nan 0.000 0.493 181 N N -1.190 117.487 118.700 -0.038 0.000 3.243 181 N HA 0.012 4.752 4.740 0.001 0.000 0.280 181 N C -0.160 175.319 175.510 -0.052 0.000 1.545 181 N CA -0.582 52.452 53.050 -0.025 0.000 0.854 181 N CB 0.420 38.910 38.487 0.004 0.000 1.612 181 N HN -0.279 nan 8.380 nan 0.000 0.577 182 D N -1.203 119.189 120.400 -0.013 0.000 2.144 182 D HA -0.173 4.468 4.640 0.001 0.000 0.199 182 D C 1.480 177.764 176.300 -0.027 0.000 0.984 182 D CA 1.470 55.472 54.000 0.003 0.000 0.834 182 D CB 0.233 41.084 40.800 0.084 0.000 0.955 182 D HN 0.560 nan 8.370 nan 0.000 0.465 183 Q N 0.311 120.112 119.800 0.002 0.000 2.050 183 Q HA -0.152 4.189 4.340 0.001 0.000 0.202 183 Q C 2.077 178.077 176.000 0.001 0.000 0.980 183 Q CA 1.658 57.472 55.803 0.019 0.000 0.840 183 Q CB -0.234 28.527 28.738 0.038 0.000 0.898 183 Q HN 0.415 nan 8.270 nan 0.000 0.424 184 Q N -0.846 118.946 119.800 -0.013 0.000 2.124 184 Q HA -0.090 4.250 4.340 0.001 0.000 0.202 184 Q C 2.001 177.877 176.000 -0.207 0.000 0.977 184 Q CA 1.274 57.067 55.803 -0.017 0.000 0.850 184 Q CB -0.236 28.498 28.738 -0.008 0.000 0.901 184 Q HN 0.506 nan 8.270 nan 0.000 0.429 185 A N 1.359 124.003 122.820 -0.294 0.000 1.933 185 A HA -0.223 4.097 4.320 0.001 0.000 0.218 185 A C 1.896 179.205 177.584 -0.458 0.000 1.175 185 A CA 1.640 53.403 52.037 -0.457 0.000 0.628 185 A CB -0.555 18.050 19.000 -0.658 0.000 0.814 185 A HN 0.291 nan 8.150 nan 0.000 0.444 186 N N 0.444 118.950 118.700 -0.324 0.000 2.142 186 N HA -0.136 4.604 4.740 0.001 0.000 0.186 186 N C 1.044 176.569 175.510 0.025 0.000 1.023 186 N CA 1.677 54.687 53.050 -0.066 0.000 0.852 186 N CB -0.378 38.152 38.487 0.070 0.000 0.998 186 N HN 0.381 nan 8.380 nan 0.000 0.424 187 D N -0.274 120.159 120.400 0.053 0.000 2.178 187 D HA -0.133 4.507 4.640 0.001 0.000 0.201 187 D C 1.596 178.024 176.300 0.212 0.000 0.980 187 D CA 0.422 54.499 54.000 0.128 0.000 0.842 187 D CB -0.430 40.470 40.800 0.167 0.000 0.948 187 D HN 0.229 nan 8.370 nan 0.000 0.472 188 F N 1.659 121.597 119.950 -0.020 0.000 2.134 188 F HA -0.163 4.365 4.527 0.001 0.000 0.299 188 F C 2.192 177.953 175.800 -0.065 0.000 1.097 188 F CA 0.521 58.503 58.000 -0.029 0.000 1.264 188 F CB -0.678 38.130 39.000 -0.319 0.000 1.001 188 F HN -0.207 nan 8.300 nan 0.000 0.479 189 V N 0.708 120.648 119.914 0.043 0.000 2.295 189 V HA -0.312 3.808 4.120 0.001 0.000 0.246 189 V C 2.661 178.767 176.094 0.021 0.000 1.049 189 V CA 1.848 64.124 62.300 -0.039 0.000 1.024 189 V CB -0.792 31.040 31.823 0.015 0.000 0.648 189 V HN 0.294 nan 8.190 nan 0.000 0.447 190 L N -0.855 120.405 121.223 0.062 0.000 2.083 190 L HA -0.190 4.151 4.340 0.001 0.000 0.209 190 L C 2.448 179.351 176.870 0.055 0.000 1.083 190 L CA 1.205 56.080 54.840 0.059 0.000 0.752 190 L CB -0.603 41.495 42.059 0.066 0.000 0.899 190 L HN 0.345 nan 8.230 nan 0.000 0.433 191 L N -0.078 121.190 121.223 0.075 0.000 2.017 191 L HA -0.204 4.137 4.340 0.001 0.000 0.208 191 L C 2.347 179.229 176.870 0.019 0.000 1.073 191 L CA 1.727 56.578 54.840 0.019 0.000 0.745 191 L CB -0.399 41.657 42.059 -0.006 0.000 0.894 191 L HN 0.086 nan 8.230 nan 0.000 0.432 192 L N -0.500 120.744 121.223 0.035 0.000 2.042 192 L HA -0.231 4.110 4.340 0.001 0.000 0.210 192 L C 2.622 179.497 176.870 0.008 0.000 1.076 192 L CA 1.536 56.368 54.840 -0.012 0.000 0.749 192 L CB -0.680 41.294 42.059 -0.142 0.000 0.893 192 L HN 0.283 nan 8.230 nan 0.000 0.432 193 K N 0.639 121.047 120.400 0.014 0.000 2.057 193 K HA -0.230 4.091 4.320 0.001 0.000 0.207 193 K C 1.941 178.574 176.600 0.055 0.000 1.049 193 K CA 1.531 57.838 56.287 0.032 0.000 0.931 193 K CB -0.160 32.360 32.500 0.034 0.000 0.714 193 K HN 0.026 nan 8.250 nan 0.000 0.440 194 E N -0.242 119.994 120.200 0.060 0.000 2.077 194 E HA -0.089 4.261 4.350 0.001 0.000 0.193 194 E C 1.822 178.486 176.600 0.106 0.000 0.989 194 E CA 1.204 57.653 56.400 0.080 0.000 0.800 194 E CB -0.153 29.595 29.700 0.080 0.000 0.746 194 E HN 0.144 nan 8.360 nan 0.000 0.452 195 V N 0.266 120.249 119.914 0.114 0.000 2.379 195 V HA -0.182 3.938 4.120 0.001 0.000 0.245 195 V C 2.380 178.546 176.094 0.120 0.000 1.044 195 V CA 1.750 64.139 62.300 0.149 0.000 1.036 195 V CB -0.462 31.470 31.823 0.183 0.000 0.664 195 V HN 0.147 nan 8.190 nan 0.000 0.453 196 R N 0.824 121.380 120.500 0.093 0.000 2.083 196 R HA -0.149 4.192 4.340 0.001 0.000 0.237 196 R C 2.297 178.664 176.300 0.111 0.000 1.137 196 R CA 2.484 58.640 56.100 0.093 0.000 0.951 196 R CB -1.245 29.098 30.300 0.072 0.000 0.851 196 R HN 0.521 nan 8.270 nan 0.000 0.434 197 T N 0.320 114.934 114.554 0.101 0.000 2.674 197 T HA -0.133 4.217 4.350 0.001 0.000 0.265 197 T C 1.811 176.583 174.700 0.121 0.000 1.039 197 T CA 1.679 63.840 62.100 0.101 0.000 1.150 197 T CB -0.646 68.274 68.868 0.085 0.000 0.864 197 T HN 0.436 nan 8.240 nan 0.000 0.427 198 A N 1.135 124.030 122.820 0.125 0.000 1.940 198 A HA -0.023 4.297 4.320 0.001 0.000 0.219 198 A C 2.337 180.030 177.584 0.181 0.000 1.176 198 A CA 1.285 53.406 52.037 0.139 0.000 0.631 198 A CB -0.913 18.163 19.000 0.126 0.000 0.814 198 A HN 0.481 nan 8.150 nan 0.000 0.446 199 L N -0.583 120.749 121.223 0.182 0.000 2.046 199 L HA -0.189 4.152 4.340 0.001 0.000 0.208 199 L C 2.122 179.194 176.870 0.336 0.000 1.077 199 L CA 1.469 56.462 54.840 0.255 0.000 0.747 199 L CB -0.619 41.570 42.059 0.218 0.000 0.896 199 L HN 0.345 nan 8.230 nan 0.000 0.432 200 D N -0.506 120.032 120.400 0.230 0.000 2.117 200 D HA -0.128 4.512 4.640 0.001 0.000 0.198 200 D C 2.376 178.775 176.300 0.166 0.000 0.982 200 D CA 1.356 55.470 54.000 0.190 0.000 0.828 200 D CB -0.057 40.828 40.800 0.141 0.000 0.967 200 D HN 0.163 nan 8.370 nan 0.000 0.464 201 S N 0.260 116.054 115.700 0.158 0.000 2.359 201 S HA -0.213 4.257 4.470 0.001 0.000 0.224 201 S C 1.898 176.580 174.600 0.136 0.000 1.035 201 S CA 0.939 59.214 58.200 0.126 0.000 1.018 201 S CB -0.567 62.707 63.200 0.123 0.000 0.876 201 S HN 0.356 nan 8.310 nan 0.000 0.448 202 Y N 2.145 122.513 120.300 0.113 0.000 2.165 202 Y HA -0.173 4.378 4.550 0.001 0.000 0.286 202 Y C 2.758 178.762 175.900 0.173 0.000 1.155 202 Y CA 1.567 59.738 58.100 0.117 0.000 1.164 202 Y CB -0.851 37.665 38.460 0.093 0.000 0.978 202 Y HN 0.254 nan 8.280 nan 0.000 0.513 203 S N 0.004 115.779 115.700 0.125 0.000 2.356 203 S HA -0.199 4.271 4.470 0.001 0.000 0.223 203 S C 2.309 176.856 174.600 -0.088 0.000 1.032 203 S CA 1.376 59.612 58.200 0.060 0.000 1.005 203 S CB -0.940 62.349 63.200 0.149 0.000 0.867 203 S HN 0.666 nan 8.310 nan 0.000 0.449 204 A N 1.218 124.019 122.820 -0.030 0.000 1.908 204 A HA 0.093 4.414 4.320 0.001 0.000 0.218 204 A C 2.427 179.965 177.584 -0.076 0.000 1.181 204 A CA 2.099 54.114 52.037 -0.037 0.000 0.627 204 A CB -1.305 17.695 19.000 0.001 0.000 0.818 204 A HN 0.777 nan 8.150 nan 0.000 0.445 205 A N -0.571 122.183 122.820 -0.110 0.000 1.898 205 A HA -0.006 4.315 4.320 0.001 0.000 0.214 205 A C 1.455 178.926 177.584 -0.187 0.000 1.183 205 A CA 1.552 53.516 52.037 -0.120 0.000 0.622 205 A CB -0.259 18.693 19.000 -0.080 0.000 0.824 205 A HN 0.595 nan 8.150 nan 0.000 0.444 206 N N -1.853 116.622 118.700 -0.375 0.000 2.194 206 N HA 0.449 5.189 4.740 0.001 0.000 0.231 206 N C 0.249 175.572 175.510 -0.312 0.000 1.247 206 N CA 0.645 53.480 53.050 -0.359 0.000 0.884 206 N CB 1.233 39.476 38.487 -0.406 0.000 1.146 206 N HN 0.359 nan 8.380 nan 0.000 0.516 207 A N -0.094 122.576 122.820 -0.251 0.000 2.600 207 A HA 0.601 4.921 4.320 0.001 0.000 0.252 207 A C 1.243 178.751 177.584 -0.126 0.000 1.200 207 A CA 0.127 52.084 52.037 -0.133 0.000 0.981 207 A CB -0.145 18.853 19.000 -0.003 0.000 1.207 207 A HN 0.147 nan 8.150 nan 0.000 0.577 208 G N -0.475 108.258 108.800 -0.112 0.000 2.305 208 G HA2 0.147 4.108 3.960 0.001 0.000 0.287 208 G HA3 0.147 4.108 3.960 0.001 0.000 0.287 208 G C 1.551 176.401 174.900 -0.083 0.000 1.036 208 G CA 1.017 46.067 45.100 -0.083 0.000 0.887 208 G HN 2.148 nan 8.290 nan 0.000 0.505 209 G N -1.556 107.192 108.800 -0.087 0.000 2.179 209 G HA2 -0.138 3.822 3.960 0.001 0.000 0.260 209 G HA3 -0.138 3.822 3.960 0.001 0.000 0.260 209 G C 0.518 175.347 174.900 -0.120 0.000 0.977 209 G CA 1.178 46.235 45.100 -0.071 0.000 0.641 209 G HN 1.971 nan 8.290 nan 0.000 0.533 210 Q N 0.546 120.214 119.800 -0.220 0.000 2.304 210 Q HA 0.248 4.589 4.340 0.001 0.000 0.315 210 Q C 0.282 175.991 176.000 -0.485 0.000 1.075 210 Q CA 0.303 55.886 55.803 -0.366 0.000 0.988 210 Q CB 0.083 28.495 28.738 -0.543 0.000 1.146 210 Q HN 0.617 nan 8.270 nan 0.000 0.383 211 H N 4.712 123.566 119.070 -0.360 0.000 2.864 211 H HA 0.264 4.820 4.556 0.001 0.000 0.281 211 H C -1.155 174.033 175.328 -0.234 0.000 1.093 211 H CA -0.328 55.584 56.048 -0.227 0.000 1.453 211 H CB -0.166 29.554 29.762 -0.070 0.000 1.462 211 H HN 0.461 nan 8.280 nan 0.000 0.480 212 F N 4.824 124.604 119.950 -0.283 0.000 2.384 212 F HA 0.225 4.752 4.527 0.001 0.000 0.338 212 F C 0.129 175.702 175.800 -0.378 0.000 1.103 212 F CA -0.693 57.200 58.000 -0.178 0.000 1.157 212 F CB 0.639 39.642 39.000 0.005 0.000 1.167 212 F HN 0.389 nan 8.300 nan 0.000 0.529 213 L N 3.567 124.825 121.223 0.059 0.000 2.418 213 L HA 0.447 4.788 4.340 0.001 0.000 0.265 213 L C -0.741 176.116 176.870 -0.021 0.000 1.143 213 L CA -0.760 54.081 54.840 0.001 0.000 0.809 213 L CB 1.059 43.191 42.059 0.121 0.000 1.124 213 L HN 0.419 nan 8.230 nan 0.000 0.456 214 L N 2.422 123.593 121.223 -0.088 0.000 2.441 214 L HA 0.602 4.943 4.340 0.001 0.000 0.270 214 L C -0.276 176.438 176.870 -0.261 0.000 0.973 214 L CA 0.180 54.954 54.840 -0.109 0.000 0.842 214 L CB 1.797 43.826 42.059 -0.050 0.000 1.239 214 L HN 0.774 nan 8.230 nan 0.000 0.406 215 T N 1.858 116.225 114.554 -0.311 0.000 2.838 215 T HA 0.922 5.273 4.350 0.001 0.000 0.292 215 T C -0.590 173.953 174.700 -0.262 0.000 1.113 215 T CA -0.171 61.650 62.100 -0.465 0.000 1.008 215 T CB 1.687 70.073 68.868 -0.804 0.000 1.259 215 T HN 1.083 nan 8.240 nan 0.000 0.520 216 V N -2.347 117.412 119.914 -0.258 0.000 3.114 216 V HA 0.971 5.092 4.120 0.001 0.000 0.308 216 V C -0.416 175.736 176.094 0.098 0.000 1.168 216 V CA -1.294 60.971 62.300 -0.059 0.000 1.015 216 V CB 1.224 32.945 31.823 -0.171 0.000 1.050 216 V HN 1.536 nan 8.190 nan 0.000 0.433 217 A N 2.375 125.339 122.820 0.240 0.000 2.290 217 A HA 0.911 5.232 4.320 0.001 0.000 0.310 217 A C 0.289 178.058 177.584 0.308 0.000 1.202 217 A CA 0.127 52.355 52.037 0.318 0.000 0.837 217 A CB 0.622 19.856 19.000 0.390 0.000 1.139 217 A HN 1.944 nan 8.150 nan 0.000 0.509 218 S N 2.743 118.641 115.700 0.331 0.000 2.568 218 S HA 0.843 5.313 4.470 0.001 0.000 0.293 218 S C -3.027 171.777 174.600 0.339 0.000 1.089 218 S CA -1.563 56.882 58.200 0.409 0.000 0.945 218 S CB 2.036 65.603 63.200 0.612 0.000 1.077 218 S HN 0.558 nan 8.310 nan 0.000 0.485 219 P HA 0.355 nan 4.420 nan 0.000 0.276 219 P C 0.012 177.426 177.300 0.190 0.000 1.252 219 P CA -0.494 62.726 63.100 0.200 0.000 0.802 219 P CB 1.152 32.851 31.700 -0.003 0.000 1.035 220 A N 1.529 124.396 122.820 0.079 0.000 2.252 220 A HA 0.325 4.646 4.320 0.001 0.000 0.213 220 A C 1.318 178.877 177.584 -0.041 0.000 1.188 220 A CA 0.371 52.463 52.037 0.091 0.000 0.863 220 A CB -0.716 18.386 19.000 0.170 0.000 0.893 220 A HN 0.626 nan 8.150 nan 0.000 0.495 221 G N 0.891 109.599 108.800 -0.155 0.000 2.354 221 G HA2 0.400 4.361 3.960 0.001 0.000 0.266 221 G HA3 0.400 4.361 3.960 0.001 0.000 0.266 221 G C -1.435 173.439 174.900 -0.044 0.000 1.242 221 G CA -0.736 44.285 45.100 -0.132 0.000 0.923 221 G HN 0.070 nan 8.290 nan 0.000 0.476 222 P HA -0.152 nan 4.420 nan 0.000 0.216 222 P C 1.343 178.613 177.300 -0.051 0.000 1.154 222 P CA 1.123 64.206 63.100 -0.028 0.000 0.865 222 P CB 0.334 32.033 31.700 -0.002 0.000 0.789 223 D N -0.666 119.722 120.400 -0.022 0.000 2.117 223 D HA -0.150 4.490 4.640 0.001 0.000 0.197 223 D C 1.807 178.065 176.300 -0.070 0.000 0.987 223 D CA 1.322 55.301 54.000 -0.036 0.000 0.829 223 D CB -0.340 40.454 40.800 -0.011 0.000 0.961 223 D HN 0.140 nan 8.370 nan 0.000 0.460 224 K N 0.448 120.781 120.400 -0.110 0.000 2.057 224 K HA 0.031 4.351 4.320 0.001 0.000 0.206 224 K C 2.205 178.743 176.600 -0.103 0.000 1.050 224 K CA 0.363 56.566 56.287 -0.140 0.000 0.935 224 K CB -0.227 32.108 32.500 -0.276 0.000 0.715 224 K HN 0.147 nan 8.250 nan 0.000 0.439 225 I N 0.841 121.333 120.570 -0.130 0.000 2.286 225 I HA -0.301 3.869 4.170 0.001 0.000 0.248 225 I C 2.304 178.321 176.117 -0.166 0.000 1.115 225 I CA 1.152 62.329 61.300 -0.205 0.000 1.392 225 I CB -0.189 37.586 38.000 -0.374 0.000 1.065 225 I HN 0.162 nan 8.210 nan 0.000 0.418 226 K N 0.910 121.238 120.400 -0.121 0.000 2.209 226 K HA -0.144 4.176 4.320 0.001 0.000 0.204 226 K C 1.976 178.553 176.600 -0.038 0.000 1.048 226 K CA 1.130 57.370 56.287 -0.080 0.000 0.940 226 K CB 0.136 32.599 32.500 -0.061 0.000 0.729 226 K HN 0.146 nan 8.250 nan 0.000 0.451 227 V N 1.811 121.700 119.914 -0.042 0.000 2.548 227 V HA -0.106 4.015 4.120 0.001 0.000 0.249 227 V C 1.324 177.405 176.094 -0.022 0.000 1.055 227 V CA 0.841 63.122 62.300 -0.031 0.000 1.065 227 V CB -0.325 31.460 31.823 -0.064 0.000 0.681 227 V HN 0.210 nan 8.190 nan 0.000 0.462 228 L N 0.181 121.392 121.223 -0.020 0.000 2.467 228 L HA 0.147 4.487 4.340 0.001 0.000 0.270 228 L C 0.341 177.302 176.870 0.152 0.000 1.205 228 L CA 0.203 55.050 54.840 0.011 0.000 0.828 228 L CB -0.129 41.973 42.059 0.072 0.000 1.101 228 L HN 0.301 nan 8.230 nan 0.000 0.479 229 H N 3.603 122.673 119.070 -0.000 0.000 2.702 229 H HA 0.174 4.730 4.556 0.001 0.000 0.252 229 H C 0.821 176.184 175.328 0.059 0.000 1.493 229 H CA -0.587 55.465 56.048 0.006 0.000 1.273 229 H CB 0.617 30.374 29.762 -0.008 0.000 1.537 229 H HN 0.589 nan 8.280 nan 0.000 0.547 230 L N 1.203 122.535 121.223 0.181 0.000 1.971 230 L HA -0.279 4.062 4.340 0.001 0.000 0.215 230 L C 2.268 179.275 176.870 0.227 0.000 1.072 230 L CA 1.658 56.621 54.840 0.205 0.000 0.758 230 L CB -0.315 41.744 42.059 0.000 0.000 0.889 230 L HN 0.497 nan 8.230 nan 0.000 0.433 231 K N -0.211 120.259 120.400 0.117 0.000 2.032 231 K HA -0.183 4.137 4.320 0.001 0.000 0.209 231 K C 1.821 178.489 176.600 0.112 0.000 1.048 231 K CA 1.708 58.054 56.287 0.100 0.000 0.927 231 K CB -0.263 32.261 32.500 0.040 0.000 0.712 231 K HN 0.295 nan 8.250 nan 0.000 0.441 232 D N 0.619 121.077 120.400 0.096 0.000 2.117 232 D HA -0.148 4.493 4.640 0.001 0.000 0.197 232 D C 1.922 178.254 176.300 0.052 0.000 0.987 232 D CA 1.322 55.366 54.000 0.074 0.000 0.829 232 D CB -0.074 40.779 40.800 0.089 0.000 0.961 232 D HN 0.213 nan 8.370 nan 0.000 0.460 233 M N 0.181 119.820 119.600 0.066 0.000 2.099 233 M HA -0.155 4.326 4.480 0.001 0.000 0.262 233 M C 1.907 178.200 176.300 -0.011 0.000 1.067 233 M CA 1.243 56.497 55.300 -0.076 0.000 1.124 233 M CB -0.212 32.307 32.600 -0.135 0.000 1.353 233 M HN -0.144 nan 8.290 nan 0.000 0.410 234 D N 0.030 120.610 120.400 0.299 0.000 2.190 234 D HA -0.231 4.409 4.640 0.001 0.000 0.200 234 D C 1.938 178.333 176.300 0.160 0.000 0.992 234 D CA 1.216 55.440 54.000 0.373 0.000 0.854 234 D CB 0.014 41.093 40.800 0.465 0.000 0.936 234 D HN 0.163 nan 8.370 nan 0.000 0.462 235 Q N -0.392 119.469 119.800 0.101 0.000 2.291 235 Q HA -0.093 4.248 4.340 0.001 0.000 0.206 235 Q C 1.339 177.362 176.000 0.038 0.000 0.976 235 Q CA 1.270 57.112 55.803 0.065 0.000 0.875 235 Q CB -0.017 28.752 28.738 0.051 0.000 0.927 235 Q HN 0.299 nan 8.270 nan 0.000 0.450 236 Q N -0.911 118.886 119.800 -0.006 0.000 2.319 236 Q HA 0.259 4.600 4.340 0.001 0.000 0.209 236 Q C -0.182 175.782 176.000 -0.059 0.000 0.884 236 Q CA 0.148 55.935 55.803 -0.028 0.000 0.938 236 Q CB 0.749 29.447 28.738 -0.067 0.000 1.098 236 Q HN 0.318 nan 8.270 nan 0.000 0.517 237 L N 0.375 121.544 121.223 -0.091 0.000 2.334 237 L HA 0.324 4.665 4.340 0.001 0.000 0.272 237 L C 0.956 177.817 176.870 -0.015 0.000 1.020 237 L CA -0.544 54.202 54.840 -0.156 0.000 0.812 237 L CB 1.235 43.031 42.059 -0.439 0.000 1.264 237 L HN -0.150 nan 8.230 nan 0.000 0.439 238 D N 1.082 121.460 120.400 -0.037 0.000 2.216 238 D HA 0.093 4.734 4.640 0.001 0.000 0.208 238 D C -0.305 176.172 176.300 0.295 0.000 0.960 238 D CA 1.360 55.445 54.000 0.141 0.000 0.861 238 D CB 0.622 41.520 40.800 0.163 0.000 0.985 238 D HN 0.340 nan 8.370 nan 0.000 0.493 239 F N -2.287 117.677 119.950 0.023 0.000 2.799 239 F HA 0.475 5.002 4.527 0.001 0.000 0.316 239 F C -2.231 173.605 175.800 0.060 0.000 1.155 239 F CA -1.688 56.376 58.000 0.106 0.000 0.916 239 F CB 0.384 39.414 39.000 0.051 0.000 1.294 239 F HN -0.344 nan 8.300 nan 0.000 0.447 240 W N 1.596 123.012 121.300 0.193 0.000 2.529 240 W HA 0.552 5.212 4.660 0.001 0.000 0.321 240 W C -0.729 175.866 176.519 0.128 0.000 1.047 240 W CA -0.724 56.662 57.345 0.067 0.000 1.216 240 W CB 1.481 30.905 29.460 -0.060 0.000 1.357 240 W HN 0.331 nan 8.180 nan 0.000 0.489 241 N N 3.702 122.606 118.700 0.340 0.000 2.589 241 N HA 0.172 4.912 4.740 0.001 0.000 0.232 241 N C -1.036 174.603 175.510 0.215 0.000 1.015 241 N CA -0.553 52.672 53.050 0.293 0.000 0.931 241 N CB 1.246 39.950 38.487 0.361 0.000 1.150 241 N HN 0.339 nan 8.380 nan 0.000 0.512 242 L N 2.648 123.925 121.223 0.089 0.000 2.418 242 L HA 0.205 4.545 4.340 0.001 0.000 0.274 242 L C 0.532 177.349 176.870 -0.089 0.000 1.135 242 L CA 0.324 55.158 54.840 -0.010 0.000 0.870 242 L CB 0.268 42.260 42.059 -0.112 0.000 1.154 242 L HN 0.424 nan 8.230 nan 0.000 0.462 243 M N 6.410 125.930 119.600 -0.133 0.000 3.436 243 M HA 0.205 4.685 4.480 0.001 0.000 0.240 243 M C 0.763 176.640 176.300 -0.706 0.000 1.469 243 M CA -0.035 54.929 55.300 -0.561 0.000 1.622 243 M CB -0.017 32.465 32.600 -0.197 0.000 1.098 243 M HN 0.786 nan 8.290 nan 0.000 0.568 244 A N 2.874 125.293 122.820 -0.669 0.000 3.074 244 A HA 0.362 4.682 4.320 0.001 0.000 0.251 244 A C -0.679 176.557 177.584 -0.579 0.000 1.695 244 A CA -0.103 51.732 52.037 -0.337 0.000 1.343 244 A CB -0.997 17.942 19.000 -0.101 0.000 1.078 244 A HN 0.727 nan 8.150 nan 0.000 0.644 245 Y N -4.651 115.410 120.300 -0.398 0.000 2.788 245 Y HA 0.510 5.061 4.550 0.001 0.000 0.335 245 Y C -0.253 175.492 175.900 -0.257 0.000 1.287 245 Y CA -1.862 55.942 58.100 -0.493 0.000 1.068 245 Y CB 0.228 38.572 38.460 -0.194 0.000 1.340 245 Y HN 0.183 nan 8.280 nan 0.000 0.449 246 D N -0.748 119.775 120.400 0.205 0.000 2.870 246 D HA -0.203 4.438 4.640 0.001 0.000 0.228 246 D C 0.259 176.809 176.300 0.416 0.000 1.147 246 D CA 0.967 55.176 54.000 0.348 0.000 0.757 246 D CB -1.328 39.692 40.800 0.367 0.000 1.091 246 D HN 0.641 nan 8.370 nan 0.000 0.429 247 Y N -0.558 119.898 120.300 0.260 0.000 2.509 247 Y HA 0.293 4.843 4.550 0.001 0.000 0.293 247 Y C 1.683 177.840 175.900 0.428 0.000 1.133 247 Y CA 0.669 58.919 58.100 0.251 0.000 1.283 247 Y CB 0.194 38.837 38.460 0.305 0.000 1.001 247 Y HN 0.272 nan 8.280 nan 0.000 0.555 248 A N -1.317 121.807 122.820 0.506 0.000 2.549 248 A HA 0.817 5.138 4.320 0.001 0.000 0.297 248 A C 0.140 177.774 177.584 0.084 0.000 1.061 248 A CA 0.062 52.302 52.037 0.339 0.000 0.690 248 A CB 1.279 20.435 19.000 0.261 0.000 1.287 248 A HN 0.248 nan 8.150 nan 0.000 0.402 249 G N -0.723 107.808 108.800 -0.448 0.000 2.500 249 G HA2 0.524 4.484 3.960 0.001 0.000 0.299 249 G HA3 0.524 4.484 3.960 0.001 0.000 0.299 249 G C 0.819 175.261 174.900 -0.763 0.000 1.242 249 G CA 0.704 45.301 45.100 -0.839 0.000 0.859 249 G HN 1.718 nan 8.290 nan 0.000 0.481 250 S N -0.504 114.834 115.700 -0.604 0.000 2.469 250 S HA -0.059 4.412 4.470 0.001 0.000 0.238 250 S C 1.901 176.504 174.600 0.005 0.000 0.998 250 S CA 2.094 60.211 58.200 -0.138 0.000 0.957 250 S CB -0.593 62.582 63.200 -0.041 0.000 0.764 250 S HN 1.010 nan 8.310 nan 0.000 0.514 251 F N 1.357 121.411 119.950 0.173 0.000 2.789 251 F HA 0.505 5.033 4.527 0.001 0.000 0.300 251 F C 0.584 176.512 175.800 0.214 0.000 1.132 251 F CA -1.105 56.991 58.000 0.160 0.000 1.404 251 F CB -1.004 38.054 39.000 0.097 0.000 1.114 251 F HN -0.047 nan 8.300 nan 0.000 0.584 252 S N 0.370 116.163 115.700 0.156 0.000 2.586 252 S HA 0.192 4.663 4.470 0.001 0.000 0.274 252 S C 1.193 175.986 174.600 0.322 0.000 1.281 252 S CA -0.302 58.065 58.200 0.279 0.000 1.035 252 S CB 1.633 64.936 63.200 0.172 0.000 0.962 252 S HN 0.251 nan 8.310 nan 0.000 0.512 253 S N 1.156 116.995 115.700 0.232 0.000 2.387 253 S HA 0.115 4.585 4.470 0.001 0.000 0.226 253 S C 0.517 175.235 174.600 0.197 0.000 1.026 253 S CA 0.810 59.107 58.200 0.162 0.000 0.972 253 S CB -0.220 63.036 63.200 0.094 0.000 0.814 253 S HN 0.471 nan 8.310 nan 0.000 0.477 254 L N 0.450 121.787 121.223 0.190 0.000 2.327 254 L HA 0.455 4.795 4.340 0.001 0.000 0.258 254 L C 0.182 176.973 176.870 -0.132 0.000 1.024 254 L CA -0.945 53.972 54.840 0.128 0.000 0.825 254 L CB 1.771 43.820 42.059 -0.017 0.000 1.386 254 L HN 0.056 nan 8.230 nan 0.000 0.417 255 S N -0.445 115.003 115.700 -0.420 0.000 2.584 255 S HA 0.766 5.237 4.470 0.001 0.000 0.270 255 S C -0.048 173.973 174.600 -0.966 0.000 1.346 255 S CA 0.134 57.512 58.200 -1.369 0.000 1.018 255 S CB 1.416 63.940 63.200 -1.126 0.000 0.899 255 S HN 0.950 nan 8.310 nan 0.000 0.542 256 G N 0.221 108.341 108.800 -1.134 0.000 2.495 256 G HA2 0.418 4.378 3.960 0.001 0.000 0.294 256 G HA3 0.418 4.378 3.960 0.001 0.000 0.294 256 G C -1.735 172.911 174.900 -0.425 0.000 1.397 256 G CA -0.962 43.773 45.100 -0.609 0.000 0.790 256 G HN 0.788 nan 8.290 nan 0.000 0.486 257 H N 0.487 119.534 119.070 -0.038 0.000 2.646 257 H HA 0.190 4.747 4.556 0.001 0.000 0.325 257 H C 0.982 176.419 175.328 0.182 0.000 1.075 257 H CA 0.502 56.589 56.048 0.064 0.000 1.421 257 H CB 1.991 31.791 29.762 0.063 0.000 1.461 257 H HN 0.724 nan 8.280 nan 0.000 0.525 258 Q N 1.715 121.672 119.800 0.261 0.000 2.408 258 Q HA 0.275 4.616 4.340 0.001 0.000 0.205 258 Q C 0.588 176.507 176.000 -0.134 0.000 0.919 258 Q CA 0.687 56.602 55.803 0.187 0.000 0.932 258 Q CB 0.839 29.678 28.738 0.170 0.000 1.058 258 Q HN 0.513 nan 8.270 nan 0.000 0.517 259 A N 1.494 124.264 122.820 -0.083 0.000 2.524 259 A HA 0.148 4.469 4.320 0.001 0.000 0.267 259 A C -0.557 177.009 177.584 -0.030 0.000 0.881 259 A CA -0.710 51.138 52.037 -0.315 0.000 1.077 259 A CB -0.232 18.663 19.000 -0.176 0.000 1.220 259 A HN 0.452 nan 8.150 nan 0.000 0.488 260 N N 0.409 119.210 118.700 0.169 0.000 2.441 260 N HA 0.102 4.842 4.740 0.001 0.000 0.251 260 N C 0.829 176.375 175.510 0.060 0.000 1.242 260 N CA 0.241 53.343 53.050 0.087 0.000 0.898 260 N CB 1.381 39.922 38.487 0.090 0.000 1.100 260 N HN -0.057 nan 8.380 nan 0.000 0.443 261 V N 0.979 120.783 119.914 -0.182 0.000 2.446 261 V HA -0.043 4.077 4.120 0.001 0.000 0.244 261 V C -0.034 175.734 176.094 -0.543 0.000 1.039 261 V CA 1.246 63.245 62.300 -0.502 0.000 1.045 261 V CB -0.734 30.477 31.823 -1.021 0.000 0.681 261 V HN 0.599 nan 8.190 nan 0.000 0.459 262 Y N -0.634 119.624 120.300 -0.071 0.000 2.549 262 Y HA 0.380 4.930 4.550 0.001 0.000 0.339 262 Y C 0.411 176.299 175.900 -0.021 0.000 1.053 262 Y CA -1.671 56.406 58.100 -0.038 0.000 1.105 262 Y CB 0.555 38.987 38.460 -0.047 0.000 1.258 262 Y HN -0.045 nan 8.280 nan 0.000 0.478 263 N N 1.454 120.255 118.700 0.169 0.000 2.513 263 N HA -0.071 4.669 4.740 0.001 0.000 0.268 263 N C -1.196 174.351 175.510 0.061 0.000 1.180 263 N CA -0.062 53.034 53.050 0.077 0.000 0.948 263 N CB 0.642 39.153 38.487 0.040 0.000 1.083 263 N HN 0.695 nan 8.380 nan 0.000 0.455 264 D N 2.222 122.647 120.400 0.041 0.000 2.441 264 D HA 0.045 4.685 4.640 0.001 0.000 0.221 264 D C 1.368 177.673 176.300 0.007 0.000 1.156 264 D CA -0.307 53.708 54.000 0.025 0.000 0.896 264 D CB 0.707 41.530 40.800 0.039 0.000 1.028 264 D HN 0.652 nan 8.370 nan 0.000 0.509 265 T N -0.161 114.391 114.554 -0.003 0.000 2.881 265 T HA -0.202 4.149 4.350 0.001 0.000 0.270 265 T C 1.742 176.432 174.700 -0.015 0.000 1.068 265 T CA 1.439 63.531 62.100 -0.013 0.000 1.131 265 T CB -0.179 68.678 68.868 -0.019 0.000 0.871 265 T HN 0.271 nan 8.240 nan 0.000 0.479 266 S N 0.778 116.470 115.700 -0.012 0.000 2.496 266 S HA 0.114 4.585 4.470 0.001 0.000 0.224 266 S C 0.998 175.588 174.600 -0.017 0.000 0.996 266 S CA 0.216 58.407 58.200 -0.015 0.000 0.927 266 S CB -0.308 62.884 63.200 -0.013 0.000 0.774 266 S HN 0.512 nan 8.310 nan 0.000 0.524 267 N N 1.127 119.819 118.700 -0.013 0.000 2.666 267 N HA 0.288 5.028 4.740 0.001 0.000 0.253 267 N C -2.405 173.095 175.510 -0.016 0.000 1.621 267 N CA -1.669 51.369 53.050 -0.021 0.000 0.785 267 N CB 1.201 39.675 38.487 -0.021 0.000 1.332 267 N HN 0.016 nan 8.380 nan 0.000 0.514 268 P HA -0.134 nan 4.420 nan 0.000 0.219 268 P C 1.386 178.660 177.300 -0.044 0.000 1.146 268 P CA 0.745 63.828 63.100 -0.029 0.000 0.808 268 P CB 0.592 32.269 31.700 -0.037 0.000 0.779 269 L N 0.286 121.476 121.223 -0.054 0.000 2.275 269 L HA -0.088 4.253 4.340 0.001 0.000 0.215 269 L C 2.635 179.452 176.870 -0.088 0.000 1.119 269 L CA 1.707 56.505 54.840 -0.070 0.000 0.790 269 L CB -0.884 41.132 42.059 -0.071 0.000 0.919 269 L HN 0.139 nan 8.230 nan 0.000 0.443 270 S N -1.933 113.718 115.700 -0.082 0.000 2.527 270 S HA -0.041 4.429 4.470 0.001 0.000 0.222 270 S C 1.125 175.734 174.600 0.016 0.000 0.985 270 S CA 0.420 58.543 58.200 -0.127 0.000 0.921 270 S CB -0.375 62.736 63.200 -0.148 0.000 0.772 270 S HN 0.432 nan 8.310 nan 0.000 0.529 271 T N -0.381 114.205 114.554 0.053 0.000 3.401 271 T HA 0.460 4.811 4.350 0.001 0.000 0.341 271 T C -1.918 172.773 174.700 -0.014 0.000 1.674 271 T CA -1.531 60.628 62.100 0.099 0.000 1.600 271 T CB 1.317 70.251 68.868 0.110 0.000 0.974 271 T HN 0.030 nan 8.240 nan 0.000 0.672 272 P HA 0.059 nan 4.420 nan 0.000 0.222 272 P C -0.291 176.578 177.300 -0.718 0.000 1.147 272 P CA 0.572 63.487 63.100 -0.308 0.000 0.790 272 P CB -0.002 31.595 31.700 -0.171 0.000 0.780 273 F N -0.219 119.656 119.950 -0.126 0.000 2.664 273 F HA 0.425 4.953 4.527 0.001 0.000 0.317 273 F C 0.083 175.656 175.800 -0.378 0.000 1.108 273 F CA -0.885 56.896 58.000 -0.364 0.000 0.957 273 F CB 1.441 39.988 39.000 -0.754 0.000 1.365 273 F HN -0.173 nan 8.300 nan 0.000 0.475 274 N N -2.708 115.862 118.700 -0.217 0.000 2.504 274 N HA 0.321 5.062 4.740 0.001 0.000 0.268 274 N C -0.745 174.731 175.510 -0.056 0.000 1.184 274 N CA -0.702 52.303 53.050 -0.074 0.000 0.875 274 N CB 1.638 40.128 38.487 0.005 0.000 1.630 274 N HN 0.369 nan 8.380 nan 0.000 0.486 275 T N -0.188 114.405 114.554 0.066 0.000 2.821 275 T HA -0.189 4.161 4.350 0.001 0.000 0.267 275 T C 1.446 176.183 174.700 0.061 0.000 1.046 275 T CA 1.656 63.812 62.100 0.094 0.000 1.139 275 T CB -0.296 68.614 68.868 0.069 0.000 0.871 275 T HN 0.627 nan 8.240 nan 0.000 0.454 276 Q N 1.190 120.985 119.800 -0.009 0.000 2.061 276 Q HA -0.122 4.218 4.340 0.001 0.000 0.204 276 Q C 2.309 178.368 176.000 0.098 0.000 0.984 276 Q CA 2.050 57.906 55.803 0.089 0.000 0.846 276 Q CB -0.990 27.825 28.738 0.127 0.000 0.902 276 Q HN 0.440 nan 8.270 nan 0.000 0.421 277 T N 0.254 114.847 114.554 0.065 0.000 2.720 277 T HA -0.160 4.190 4.350 0.001 0.000 0.268 277 T C 1.685 176.412 174.700 0.045 0.000 1.037 277 T CA 1.492 63.619 62.100 0.044 0.000 1.144 277 T CB -0.633 68.244 68.868 0.015 0.000 0.864 277 T HN 0.488 nan 8.240 nan 0.000 0.444 278 A N 1.146 124.006 122.820 0.068 0.000 1.902 278 A HA 0.025 4.346 4.320 0.001 0.000 0.217 278 A C 2.308 180.021 177.584 0.215 0.000 1.181 278 A CA 1.175 53.283 52.037 0.119 0.000 0.623 278 A CB -0.835 18.269 19.000 0.174 0.000 0.818 278 A HN 0.477 nan 8.150 nan 0.000 0.443 279 L N -0.614 120.716 121.223 0.178 0.000 2.131 279 L HA -0.182 4.159 4.340 0.001 0.000 0.210 279 L C 1.987 178.919 176.870 0.103 0.000 1.092 279 L CA 1.305 56.236 54.840 0.151 0.000 0.759 279 L CB -0.614 41.502 42.059 0.093 0.000 0.903 279 L HN 0.299 nan 8.230 nan 0.000 0.435 280 D N 0.095 120.540 120.400 0.074 0.000 2.144 280 D HA -0.134 4.506 4.640 0.001 0.000 0.200 280 D C 2.377 178.679 176.300 0.003 0.000 0.978 280 D CA 1.087 55.109 54.000 0.037 0.000 0.833 280 D CB -0.070 40.751 40.800 0.035 0.000 0.961 280 D HN 0.235 nan 8.370 nan 0.000 0.470 281 L N -0.595 120.615 121.223 -0.023 0.000 2.056 281 L HA -0.175 4.165 4.340 0.001 0.000 0.207 281 L C 2.264 179.030 176.870 -0.174 0.000 1.078 281 L CA 0.910 55.680 54.840 -0.117 0.000 0.749 281 L CB -0.396 41.550 42.059 -0.189 0.000 0.901 281 L HN 0.072 nan 8.230 nan 0.000 0.433 282 Y N 0.052 120.274 120.300 -0.129 0.000 2.200 282 Y HA -0.164 4.386 4.550 0.001 0.000 0.290 282 Y C 2.804 178.589 175.900 -0.191 0.000 1.137 282 Y CA 1.248 59.217 58.100 -0.218 0.000 1.163 282 Y CB -0.205 38.084 38.460 -0.284 0.000 0.988 282 Y HN 0.007 nan 8.280 nan 0.000 0.518 283 R N -0.549 119.966 120.500 0.026 0.000 2.075 283 R HA -0.088 4.253 4.340 0.001 0.000 0.232 283 R C 2.451 178.734 176.300 -0.028 0.000 1.126 283 R CA 1.059 57.150 56.100 -0.015 0.000 0.963 283 R CB -0.607 29.687 30.300 -0.009 0.000 0.858 283 R HN 0.287 nan 8.270 nan 0.000 0.435 284 A N 0.756 123.556 122.820 -0.033 0.000 2.015 284 A HA -0.053 4.268 4.320 0.001 0.000 0.219 284 A C 2.214 179.768 177.584 -0.050 0.000 1.163 284 A CA 1.566 53.581 52.037 -0.038 0.000 0.646 284 A CB -0.700 18.276 19.000 -0.041 0.000 0.806 284 A HN 0.455 nan 8.150 nan 0.000 0.448 285 G N -2.038 106.718 108.800 -0.073 0.000 2.744 285 G HA2 0.330 4.291 3.960 0.001 0.000 0.211 285 G HA3 0.330 4.291 3.960 0.001 0.000 0.211 285 G C 1.112 175.980 174.900 -0.053 0.000 1.143 285 G CA 0.674 45.726 45.100 -0.081 0.000 0.788 285 G HN 1.639 nan 8.290 nan 0.000 0.534 286 G N -1.565 107.209 108.800 -0.044 0.000 2.184 286 G HA2 -0.210 3.751 3.960 0.001 0.000 0.206 286 G HA3 -0.210 3.751 3.960 0.001 0.000 0.206 286 G C 0.161 175.047 174.900 -0.023 0.000 0.995 286 G CA -0.028 45.058 45.100 -0.023 0.000 0.651 286 G HN 0.635 nan 8.290 nan 0.000 0.511 287 V N 2.675 122.547 119.914 -0.068 0.000 2.455 287 V HA 0.390 4.510 4.120 0.001 0.000 0.273 287 V C -1.436 174.610 176.094 -0.079 0.000 1.045 287 V CA -1.228 61.004 62.300 -0.114 0.000 0.976 287 V CB 1.109 32.712 31.823 -0.367 0.000 0.993 287 V HN 0.136 nan 8.190 nan 0.000 0.475 288 P HA 0.101 nan 4.420 nan 0.000 0.266 288 P C 0.660 177.938 177.300 -0.037 0.000 1.195 288 P CA 0.109 63.201 63.100 -0.014 0.000 0.768 288 P CB 0.813 32.526 31.700 0.023 0.000 0.838 289 A N 4.102 126.900 122.820 -0.037 0.000 1.908 289 A HA -0.232 4.089 4.320 0.001 0.000 0.218 289 A C 1.613 179.178 177.584 -0.031 0.000 1.181 289 A CA 2.073 54.081 52.037 -0.050 0.000 0.627 289 A CB -1.374 17.598 19.000 -0.047 0.000 0.818 289 A HN 0.714 nan 8.150 nan 0.000 0.445 290 N N -0.590 118.104 118.700 -0.010 0.000 2.575 290 N HA -0.046 4.694 4.740 0.001 0.000 0.192 290 N C 0.694 176.222 175.510 0.030 0.000 1.200 290 N CA 0.944 53.995 53.050 0.002 0.000 0.897 290 N CB -0.233 38.244 38.487 -0.016 0.000 0.990 290 N HN 0.540 nan 8.380 nan 0.000 0.449 291 K N -0.127 120.308 120.400 0.059 0.000 2.374 291 K HA 0.313 4.633 4.320 0.001 0.000 0.202 291 K C -0.285 176.434 176.600 0.198 0.000 1.040 291 K CA -0.080 56.310 56.287 0.172 0.000 1.085 291 K CB 0.784 33.431 32.500 0.245 0.000 0.873 291 K HN 0.227 nan 8.250 nan 0.000 0.539 292 I N 2.041 122.635 120.570 0.039 0.000 2.354 292 I HA 0.178 4.348 4.170 0.001 0.000 0.286 292 I C -0.410 175.700 176.117 -0.012 0.000 1.007 292 I CA -0.990 60.297 61.300 -0.023 0.000 1.167 292 I CB 1.698 39.581 38.000 -0.195 0.000 1.320 292 I HN -0.302 nan 8.210 nan 0.000 0.458 293 V N 6.964 126.899 119.914 0.035 0.000 2.432 293 V HA 0.184 4.304 4.120 0.001 0.000 0.275 293 V C 0.078 176.148 176.094 -0.040 0.000 1.043 293 V CA -0.654 61.630 62.300 -0.026 0.000 0.925 293 V CB 1.648 33.455 31.823 -0.027 0.000 0.985 293 V HN 0.444 nan 8.190 nan 0.000 0.466 294 L N 5.818 126.990 121.223 -0.085 0.000 2.407 294 L HA 0.548 4.888 4.340 0.001 0.000 0.282 294 L C 0.884 177.678 176.870 -0.127 0.000 1.110 294 L CA 0.577 55.368 54.840 -0.081 0.000 0.863 294 L CB 0.168 42.197 42.059 -0.049 0.000 1.207 294 L HN 0.734 nan 8.230 nan 0.000 0.454 295 G N 5.783 114.548 108.800 -0.057 0.000 2.442 295 G HA2 0.474 4.435 3.960 0.001 0.000 0.249 295 G HA3 0.474 4.435 3.960 0.001 0.000 0.249 295 G C -0.547 174.422 174.900 0.115 0.000 1.263 295 G CA -0.544 44.592 45.100 0.060 0.000 0.846 295 G HN 0.613 nan 8.290 nan 0.000 0.555 296 M N 3.061 122.759 119.600 0.164 0.000 2.446 296 M HA 0.337 4.818 4.480 0.001 0.000 0.294 296 M C -2.532 173.899 176.300 0.218 0.000 1.158 296 M CA -1.858 53.541 55.300 0.165 0.000 0.899 296 M CB 3.612 36.186 32.600 -0.044 0.000 1.687 296 M HN 0.299 nan 8.290 nan 0.000 0.455 297 P HA 0.245 nan 4.420 nan 0.000 0.284 297 P C -0.792 176.432 177.300 -0.127 0.000 1.253 297 P CA -0.274 62.593 63.100 -0.389 0.000 0.800 297 P CB 0.957 32.084 31.700 -0.956 0.000 0.961 298 L N 3.856 125.120 121.223 0.069 0.000 3.034 298 L HA 0.280 4.620 4.340 0.001 0.000 0.245 298 L C -0.224 176.847 176.870 0.335 0.000 1.295 298 L CA -0.359 54.582 54.840 0.169 0.000 1.068 298 L CB -0.694 41.478 42.059 0.187 0.000 1.426 298 L HN 0.493 nan 8.230 nan 0.000 0.531 299 Y N -3.204 117.224 120.300 0.213 0.000 2.689 299 Y HA 0.817 5.368 4.550 0.001 0.000 0.333 299 Y C -0.301 175.753 175.900 0.256 0.000 1.208 299 Y CA -1.381 56.861 58.100 0.237 0.000 1.055 299 Y CB 0.829 39.415 38.460 0.210 0.000 1.304 299 Y HN -0.130 nan 8.280 nan 0.000 0.455 300 G N 1.043 110.108 108.800 0.442 0.000 2.481 300 G HA2 0.655 4.616 3.960 0.001 0.000 0.315 300 G HA3 0.655 4.616 3.960 0.001 0.000 0.315 300 G C -1.529 173.609 174.900 0.397 0.000 1.231 300 G CA -1.435 43.896 45.100 0.385 0.000 0.968 300 G HN 0.524 nan 8.290 nan 0.000 0.482 301 R N 0.834 121.485 120.500 0.252 0.000 2.295 301 R HA 0.455 4.795 4.340 0.001 0.000 0.324 301 R C 0.023 176.213 176.300 -0.183 0.000 0.968 301 R CA -0.378 55.740 56.100 0.030 0.000 0.837 301 R CB 1.556 31.843 30.300 -0.022 0.000 1.133 301 R HN 0.694 nan 8.270 nan 0.000 0.450 302 S N 2.208 117.732 115.700 -0.294 0.000 2.651 302 S HA 0.746 5.216 4.470 0.001 0.000 0.291 302 S C -0.453 173.597 174.600 -0.918 0.000 1.141 302 S CA -0.621 57.302 58.200 -0.462 0.000 1.027 302 S CB 1.137 64.234 63.200 -0.171 0.000 1.043 302 S HN 0.372 nan 8.310 nan 0.000 0.530 303 F N -0.027 119.697 119.950 -0.376 0.000 2.573 303 F HA 0.700 5.228 4.527 0.001 0.000 0.316 303 F C 0.295 176.073 175.800 -0.036 0.000 1.148 303 F CA -0.789 57.051 58.000 -0.267 0.000 0.940 303 F CB 1.855 40.571 39.000 -0.473 0.000 1.214 303 F HN 0.941 nan 8.300 nan 0.000 0.448 304 A N 2.107 125.182 122.820 0.425 0.000 2.294 304 A HA 0.625 4.945 4.320 0.001 0.000 0.330 304 A C 0.213 178.037 177.584 0.400 0.000 1.133 304 A CA -0.774 51.575 52.037 0.520 0.000 0.836 304 A CB 0.348 19.650 19.000 0.504 0.000 1.190 304 A HN 0.873 nan 8.150 nan 0.000 0.492 305 N N -0.165 118.727 118.700 0.319 0.000 2.714 305 N HA -0.140 4.600 4.740 0.001 0.000 0.253 305 N C -0.324 175.330 175.510 0.241 0.000 1.024 305 N CA 1.563 54.751 53.050 0.231 0.000 0.726 305 N CB -1.153 37.439 38.487 0.175 0.000 0.908 305 N HN 0.809 nan 8.380 nan 0.000 0.542 306 T N -1.131 113.589 114.554 0.276 0.000 2.876 306 T HA 0.286 4.636 4.350 0.001 0.000 0.289 306 T C 0.640 175.487 174.700 0.245 0.000 1.014 306 T CA -0.661 61.578 62.100 0.231 0.000 0.986 306 T CB 1.279 70.269 68.868 0.203 0.000 1.021 306 T HN -0.051 nan 8.240 nan 0.000 0.458 307 D N 2.216 122.682 120.400 0.110 0.000 2.277 307 D HA 0.249 4.889 4.640 0.001 0.000 0.208 307 D C 1.072 177.242 176.300 -0.216 0.000 0.962 307 D CA 1.077 55.106 54.000 0.049 0.000 0.865 307 D CB 0.312 41.112 40.800 -0.001 0.000 0.939 307 D HN 0.833 nan 8.370 nan 0.000 0.510 308 G N -0.455 108.187 108.800 -0.264 0.000 2.323 308 G HA2 0.206 4.166 3.960 0.001 0.000 0.291 308 G HA3 0.206 4.166 3.960 0.001 0.000 0.291 308 G C -3.018 171.621 174.900 -0.435 0.000 1.278 308 G CA -0.995 43.807 45.100 -0.497 0.000 0.860 308 G HN -0.253 nan 8.290 nan 0.000 0.504 309 P HA 0.372 nan 4.420 nan 0.000 0.268 309 P C 0.823 177.872 177.300 -0.418 0.000 1.204 309 P CA 1.976 64.693 63.100 -0.639 0.000 0.768 309 P CB 0.926 32.144 31.700 -0.804 0.000 0.842 310 G N 1.023 109.578 108.800 -0.409 0.000 2.198 310 G HA2 -0.208 3.752 3.960 0.001 0.000 0.257 310 G HA3 -0.208 3.752 3.960 0.001 0.000 0.257 310 G C -0.006 174.787 174.900 -0.178 0.000 1.042 310 G CA -0.069 44.879 45.100 -0.252 0.000 0.791 310 G HN 0.476 nan 8.290 nan 0.000 0.502 311 K N -0.617 119.673 120.400 -0.184 0.000 2.400 311 K HA 0.568 4.889 4.320 0.001 0.000 0.246 311 K C -2.739 173.857 176.600 -0.007 0.000 0.995 311 K CA -2.205 54.028 56.287 -0.091 0.000 0.840 311 K CB 1.733 34.178 32.500 -0.092 0.000 1.293 311 K HN -0.080 nan 8.250 nan 0.000 0.445 312 P HA 0.060 nan 4.420 nan 0.000 0.269 312 P C -1.097 176.299 177.300 0.160 0.000 1.215 312 P CA 0.252 63.389 63.100 0.062 0.000 0.780 312 P CB 0.184 31.889 31.700 0.009 0.000 0.898 313 Y N -0.205 120.111 120.300 0.027 0.000 2.677 313 Y HA 0.746 5.296 4.550 0.001 0.000 0.334 313 Y C -1.236 174.723 175.900 0.098 0.000 1.154 313 Y CA -1.504 56.648 58.100 0.086 0.000 1.070 313 Y CB 1.240 39.789 38.460 0.148 0.000 1.294 313 Y HN 0.167 nan 8.280 nan 0.000 0.475 314 N N 0.774 119.553 118.700 0.132 0.000 2.581 314 N HA 0.521 5.262 4.740 0.001 0.000 0.279 314 N C -0.606 175.015 175.510 0.184 0.000 1.124 314 N CA 0.651 53.711 53.050 0.016 0.000 0.833 314 N CB 1.337 39.840 38.487 0.027 0.000 1.338 314 N HN 1.504 nan 8.380 nan 0.000 0.533 315 G N 0.446 109.372 108.800 0.209 0.000 2.746 315 G HA2 -0.124 3.837 3.960 0.001 0.000 0.685 315 G HA3 -0.124 3.837 3.960 0.001 0.000 0.685 315 G C 0.217 175.338 174.900 0.369 0.000 1.350 315 G CA -0.273 44.977 45.100 0.250 0.000 0.837 315 G HN 1.243 nan 8.290 nan 0.000 0.564 316 V N -1.497 118.565 119.914 0.245 0.000 3.346 316 V HA 0.685 4.805 4.120 0.001 0.000 0.309 316 V C 1.783 178.093 176.094 0.359 0.000 1.457 316 V CA 1.151 63.559 62.300 0.181 0.000 1.069 316 V CB -0.284 31.524 31.823 -0.025 0.000 0.944 316 V HN 2.996 nan 8.190 nan 0.000 0.449 317 G N 1.202 110.203 108.800 0.335 0.000 2.598 317 G HA2 -0.242 3.719 3.960 0.001 0.000 0.244 317 G HA3 -0.242 3.719 3.960 0.001 0.000 0.244 317 G C -0.251 174.764 174.900 0.191 0.000 1.302 317 G CA 0.563 45.842 45.100 0.299 0.000 0.903 317 G HN 0.628 nan 8.290 nan 0.000 0.575 318 Q N -0.682 119.233 119.800 0.191 0.000 2.500 318 Q HA 0.612 4.953 4.340 0.001 0.000 0.173 318 Q C 0.772 176.451 176.000 -0.534 0.000 1.079 318 Q CA -0.066 55.694 55.803 -0.072 0.000 0.960 318 Q CB 0.800 29.505 28.738 -0.055 0.000 2.832 318 Q HN 1.512 nan 8.270 nan 0.000 0.476 319 G N -1.216 106.917 108.800 -1.112 0.000 2.488 319 G HA2 0.238 4.199 3.960 0.001 0.000 0.301 319 G HA3 0.238 4.199 3.960 0.001 0.000 0.301 319 G C -0.350 173.733 174.900 -1.362 0.000 1.339 319 G CA -0.339 43.629 45.100 -1.888 0.000 0.803 319 G HN 0.386 nan 8.290 nan 0.000 0.482 320 S N -1.182 113.894 115.700 -1.041 0.000 2.362 320 S HA 0.029 4.500 4.470 0.001 0.000 0.221 320 S C 1.322 175.118 174.600 -1.341 0.000 1.032 320 S CA 1.683 59.277 58.200 -1.010 0.000 0.973 320 S CB -0.124 62.589 63.200 -0.811 0.000 0.849 320 S HN 0.597 nan 8.310 nan 0.000 0.465 321 W N 0.733 121.932 121.300 -0.167 0.000 2.974 321 W HA 0.437 5.097 4.660 0.001 0.000 0.250 321 W C 0.322 176.773 176.519 -0.114 0.000 1.074 321 W CA -0.460 56.832 57.345 -0.087 0.000 1.410 321 W CB 0.748 30.205 29.460 -0.005 0.000 0.846 321 W HN -0.032 nan 8.180 nan 0.000 0.680 322 E N 0.921 121.096 120.200 -0.042 0.000 2.356 322 E HA 0.184 4.535 4.350 0.001 0.000 0.275 322 E C -0.955 175.513 176.600 -0.220 0.000 0.904 322 E CA -0.965 55.383 56.400 -0.088 0.000 0.757 322 E CB 1.469 31.149 29.700 -0.033 0.000 1.232 322 E HN -0.256 nan 8.360 nan 0.000 0.442 323 N N 0.475 119.061 118.700 -0.190 0.000 2.458 323 N HA 0.127 4.868 4.740 0.001 0.000 0.258 323 N C 0.947 176.340 175.510 -0.194 0.000 1.219 323 N CA 1.465 54.386 53.050 -0.215 0.000 0.902 323 N CB 0.913 39.335 38.487 -0.109 0.000 1.076 323 N HN 0.893 nan 8.380 nan 0.000 0.455 324 G N -0.266 108.403 108.800 -0.218 0.000 2.195 324 G HA2 -0.236 3.725 3.960 0.001 0.000 0.246 324 G HA3 -0.236 3.725 3.960 0.001 0.000 0.246 324 G C -0.358 174.445 174.900 -0.161 0.000 0.984 324 G CA 0.189 45.203 45.100 -0.143 0.000 0.633 324 G HN 0.515 nan 8.290 nan 0.000 0.525 325 V N -0.028 119.708 119.914 -0.295 0.000 2.531 325 V HA 0.768 4.888 4.120 0.001 0.000 0.301 325 V C -0.719 175.202 176.094 -0.289 0.000 1.034 325 V CA -0.817 61.403 62.300 -0.133 0.000 0.865 325 V CB 1.445 33.208 31.823 -0.101 0.000 0.995 325 V HN 0.308 nan 8.190 nan 0.000 0.424 326 W N 1.342 122.702 121.300 0.099 0.000 2.785 326 W HA 0.556 5.217 4.660 0.001 0.000 0.333 326 W C -0.250 176.347 176.519 0.130 0.000 1.062 326 W CA -0.640 56.738 57.345 0.055 0.000 1.233 326 W CB 1.071 30.534 29.460 0.004 0.000 1.413 326 W HN 0.426 nan 8.180 nan 0.000 0.489 327 D N 1.441 122.036 120.400 0.325 0.000 2.455 327 D HA -0.120 4.520 4.640 0.001 0.000 0.241 327 D C 0.844 177.282 176.300 0.230 0.000 1.138 327 D CA 0.178 54.360 54.000 0.303 0.000 0.877 327 D CB 0.540 41.498 40.800 0.264 0.000 1.187 327 D HN 0.472 nan 8.370 nan 0.000 0.451 328 Y N 3.487 123.860 120.300 0.122 0.000 2.224 328 Y HA -0.237 4.314 4.550 0.001 0.000 0.289 328 Y C 1.913 177.803 175.900 -0.017 0.000 1.146 328 Y CA 1.799 59.909 58.100 0.018 0.000 1.182 328 Y CB 0.018 38.522 38.460 0.073 0.000 0.983 328 Y HN 0.418 nan 8.280 nan 0.000 0.524 329 K N -0.045 120.242 120.400 -0.190 0.000 2.515 329 K HA 0.085 4.405 4.320 0.001 0.000 0.196 329 K C 1.482 177.954 176.600 -0.214 0.000 1.038 329 K CA 1.074 57.185 56.287 -0.292 0.000 0.967 329 K CB -0.291 32.155 32.500 -0.089 0.000 0.780 329 K HN 0.292 nan 8.250 nan 0.000 0.483 330 A N 1.121 123.854 122.820 -0.146 0.000 2.348 330 A HA 0.318 4.638 4.320 0.001 0.000 0.224 330 A C 0.281 177.746 177.584 -0.198 0.000 1.227 330 A CA -0.472 51.502 52.037 -0.104 0.000 0.885 330 A CB 0.106 19.123 19.000 0.027 0.000 0.933 330 A HN 0.189 nan 8.150 nan 0.000 0.506 331 L N 0.812 121.841 121.223 -0.323 0.000 2.333 331 L HA 0.475 4.816 4.340 0.001 0.000 0.269 331 L C -2.438 174.260 176.870 -0.287 0.000 1.010 331 L CA -2.450 52.144 54.840 -0.410 0.000 0.818 331 L CB 2.080 43.638 42.059 -0.835 0.000 1.306 331 L HN -0.005 nan 8.230 nan 0.000 0.430 332 P HA 0.175 nan 4.420 nan 0.000 0.276 332 P C -1.450 175.765 177.300 -0.141 0.000 1.244 332 P CA -0.578 62.458 63.100 -0.106 0.000 0.801 332 P CB 0.886 32.612 31.700 0.044 0.000 1.006 333 Q N 0.271 119.973 119.800 -0.163 0.000 2.306 333 Q HA 0.495 4.836 4.340 0.001 0.000 0.241 333 Q C 0.238 176.175 176.000 -0.105 0.000 0.948 333 Q CA -0.780 54.923 55.803 -0.166 0.000 0.886 333 Q CB 0.657 29.250 28.738 -0.241 0.000 1.227 333 Q HN 0.527 nan 8.270 nan 0.000 0.457 334 A N 0.768 123.531 122.820 -0.094 0.000 2.565 334 A HA 0.350 4.671 4.320 0.001 0.000 0.237 334 A C 1.214 178.760 177.584 -0.064 0.000 1.053 334 A CA 0.859 52.855 52.037 -0.069 0.000 0.755 334 A CB -0.740 18.223 19.000 -0.062 0.000 0.980 334 A HN 1.016 nan 8.150 nan 0.000 0.506 335 G N 0.503 109.275 108.800 -0.048 0.000 2.217 335 G HA2 0.155 4.115 3.960 0.001 0.000 0.246 335 G HA3 0.155 4.115 3.960 0.001 0.000 0.246 335 G C 0.534 175.414 174.900 -0.034 0.000 0.990 335 G CA 0.569 45.644 45.100 -0.041 0.000 0.627 335 G HN 2.245 nan 8.290 nan 0.000 0.522 336 A N -0.115 122.686 122.820 -0.032 0.000 2.295 336 A HA 0.829 5.149 4.320 0.001 0.000 0.318 336 A C 0.222 177.796 177.584 -0.015 0.000 1.134 336 A CA 0.651 52.682 52.037 -0.010 0.000 0.827 336 A CB 1.103 20.109 19.000 0.010 0.000 1.136 336 A HN 0.668 nan 8.150 nan 0.000 0.493 337 T N 1.553 116.098 114.554 -0.014 0.000 2.823 337 T HA 0.382 4.733 4.350 0.001 0.000 0.279 337 T C -0.338 174.172 174.700 -0.318 0.000 0.998 337 T CA -0.279 61.736 62.100 -0.143 0.000 0.994 337 T CB 1.153 69.940 68.868 -0.135 0.000 0.960 337 T HN 0.699 nan 8.240 nan 0.000 0.448 338 E N 2.074 122.065 120.200 -0.350 0.000 2.283 338 E HA 0.222 4.572 4.350 0.001 0.000 0.278 338 E C -0.603 175.596 176.600 -0.668 0.000 1.027 338 E CA -0.601 55.579 56.400 -0.365 0.000 0.843 338 E CB 0.482 30.094 29.700 -0.147 0.000 1.062 338 E HN 0.565 nan 8.360 nan 0.000 0.401 339 H N 1.661 120.470 119.070 -0.435 0.000 2.637 339 H HA 0.402 4.958 4.556 0.001 0.000 0.363 339 H C -0.920 174.155 175.328 -0.422 0.000 1.131 339 H CA -0.680 55.071 56.048 -0.495 0.000 1.183 339 H CB 1.636 30.893 29.762 -0.841 0.000 1.637 339 H HN 0.184 nan 8.280 nan 0.000 0.531 340 V N 3.957 123.811 119.914 -0.101 0.000 2.604 340 V HA 0.297 4.417 4.120 0.001 0.000 0.305 340 V C 0.078 176.166 176.094 -0.010 0.000 1.043 340 V CA -0.743 61.519 62.300 -0.064 0.000 0.888 340 V CB 2.313 34.105 31.823 -0.053 0.000 0.995 340 V HN 0.522 nan 8.190 nan 0.000 0.429 341 L N 5.933 127.152 121.223 -0.006 0.000 2.445 341 L HA 0.327 4.667 4.340 0.001 0.000 0.252 341 L C -1.806 175.051 176.870 -0.022 0.000 1.105 341 L CA -1.443 53.394 54.840 -0.005 0.000 0.943 341 L CB 1.663 43.711 42.059 -0.019 0.000 1.277 341 L HN 0.449 nan 8.230 nan 0.000 0.465 342 P HA -0.189 nan 4.420 nan 0.000 0.216 342 P C 0.731 178.043 177.300 0.020 0.000 1.154 342 P CA 1.268 64.370 63.100 0.002 0.000 0.865 342 P CB 0.289 31.992 31.700 0.005 0.000 0.789 343 D N -1.117 119.290 120.400 0.011 0.000 2.371 343 D HA -0.041 4.599 4.640 0.001 0.000 0.221 343 D C 1.530 177.881 176.300 0.085 0.000 0.986 343 D CA 0.761 54.770 54.000 0.015 0.000 0.899 343 D CB -0.164 40.618 40.800 -0.031 0.000 0.902 343 D HN 0.391 nan 8.370 nan 0.000 0.530 344 I N -4.485 116.127 120.570 0.070 0.000 4.240 344 I HA 0.243 4.413 4.170 0.001 0.000 0.331 344 I C 0.049 176.165 176.117 -0.002 0.000 1.381 344 I CA -0.303 61.054 61.300 0.094 0.000 1.136 344 I CB 0.075 38.065 38.000 -0.017 0.000 1.137 344 I HN -0.281 nan 8.210 nan 0.000 0.411 345 M N 1.808 121.402 119.600 -0.009 0.000 2.350 345 M HA -0.187 4.294 4.480 0.001 0.000 0.190 345 M C -0.172 176.074 176.300 -0.090 0.000 0.710 345 M CA 0.842 56.105 55.300 -0.061 0.000 0.495 345 M CB -1.499 31.026 32.600 -0.126 0.000 1.136 345 M HN 0.692 nan 8.290 nan 0.000 0.901 346 A N 0.482 123.242 122.820 -0.100 0.000 2.539 346 A HA 0.956 5.276 4.320 0.001 0.000 0.296 346 A C -0.113 177.436 177.584 -0.059 0.000 1.073 346 A CA 0.116 52.088 52.037 -0.108 0.000 0.700 346 A CB 1.872 20.709 19.000 -0.271 0.000 1.296 346 A HN 0.692 nan 8.150 nan 0.000 0.405 347 S N -0.271 115.414 115.700 -0.026 0.000 2.588 347 S HA 0.933 5.404 4.470 0.001 0.000 0.275 347 S C -0.933 173.661 174.600 -0.011 0.000 1.130 347 S CA -0.520 57.635 58.200 -0.075 0.000 0.855 347 S CB 1.435 64.511 63.200 -0.207 0.000 1.116 347 S HN 1.993 nan 8.310 nan 0.000 0.472 348 Y N -1.559 118.649 120.300 -0.153 0.000 2.641 348 Y HA 0.787 5.338 4.550 0.001 0.000 0.333 348 Y C -0.867 175.046 175.900 0.021 0.000 1.174 348 Y CA -0.900 57.137 58.100 -0.106 0.000 1.057 348 Y CB 0.685 39.203 38.460 0.098 0.000 1.322 348 Y HN 0.955 nan 8.280 nan 0.000 0.457 349 S N 1.445 117.333 115.700 0.314 0.000 2.549 349 S HA 0.764 5.235 4.470 0.001 0.000 0.297 349 S C -1.692 173.188 174.600 0.467 0.000 1.115 349 S CA -0.563 57.812 58.200 0.291 0.000 1.059 349 S CB 1.957 65.374 63.200 0.362 0.000 1.046 349 S HN 0.938 nan 8.310 nan 0.000 0.506 350 Y N 0.984 121.436 120.300 0.254 0.000 2.470 350 Y HA 0.485 5.035 4.550 0.001 0.000 0.341 350 Y C -1.743 174.277 175.900 0.200 0.000 1.021 350 Y CA -0.916 57.356 58.100 0.287 0.000 1.025 350 Y CB 1.964 40.681 38.460 0.428 0.000 1.266 350 Y HN 0.849 nan 8.280 nan 0.000 0.448 351 D N 4.416 124.526 120.400 -0.483 0.000 2.453 351 D HA 0.417 5.057 4.640 0.001 0.000 0.238 351 D C 0.356 176.296 176.300 -0.600 0.000 1.088 351 D CA 0.241 54.044 54.000 -0.328 0.000 0.854 351 D CB 1.872 42.592 40.800 -0.134 0.000 1.076 351 D HN 0.807 nan 8.370 nan 0.000 0.533 352 A N 2.873 125.498 122.820 -0.326 0.000 1.969 352 A HA -0.150 4.171 4.320 0.001 0.000 0.218 352 A C 2.060 179.612 177.584 -0.053 0.000 1.169 352 A CA 2.091 54.064 52.037 -0.107 0.000 0.635 352 A CB -0.642 18.450 19.000 0.152 0.000 0.810 352 A HN 0.656 nan 8.150 nan 0.000 0.445 353 T N -0.385 114.135 114.554 -0.056 0.000 2.746 353 T HA -0.196 4.155 4.350 0.001 0.000 0.267 353 T C 1.237 175.920 174.700 -0.029 0.000 1.039 353 T CA 1.544 63.629 62.100 -0.026 0.000 1.142 353 T CB -0.809 68.043 68.868 -0.027 0.000 0.866 353 T HN 0.831 nan 8.240 nan 0.000 0.444 354 N N 0.180 118.846 118.700 -0.057 0.000 2.184 354 N HA 0.169 4.909 4.740 0.001 0.000 0.206 354 N C -0.173 175.346 175.510 0.016 0.000 1.151 354 N CA -0.593 52.441 53.050 -0.026 0.000 0.878 354 N CB 0.055 38.510 38.487 -0.054 0.000 1.014 354 N HN 0.240 nan 8.380 nan 0.000 0.512 355 K N 0.303 120.669 120.400 -0.057 0.000 3.096 355 K HA -0.208 4.112 4.320 0.001 0.000 0.266 355 K C -1.247 175.437 176.600 0.139 0.000 1.043 355 K CA 0.380 56.669 56.287 0.005 0.000 0.758 355 K CB -1.617 30.986 32.500 0.171 0.000 1.260 355 K HN 0.334 nan 8.250 nan 0.000 0.481 356 F N 1.561 121.400 119.950 -0.184 0.000 2.415 356 F HA 0.437 4.964 4.527 0.001 0.000 0.348 356 F C -0.071 175.758 175.800 0.047 0.000 1.119 356 F CA -1.464 56.520 58.000 -0.027 0.000 1.069 356 F CB 0.970 39.929 39.000 -0.068 0.000 1.124 356 F HN 0.007 nan 8.300 nan 0.000 0.472 357 L N 7.929 129.067 121.223 -0.142 0.000 2.346 357 L HA 0.620 4.961 4.340 0.001 0.000 0.276 357 L C -1.319 175.471 176.870 -0.132 0.000 1.006 357 L CA -0.609 54.282 54.840 0.085 0.000 0.817 357 L CB 1.646 43.845 42.059 0.234 0.000 1.272 357 L HN 0.562 nan 8.230 nan 0.000 0.421 358 I N 3.221 123.836 120.570 0.076 0.000 2.499 358 I HA 0.204 4.375 4.170 0.001 0.000 0.288 358 I C -0.114 176.230 176.117 0.378 0.000 1.048 358 I CA -0.468 60.908 61.300 0.128 0.000 1.062 358 I CB 2.156 40.185 38.000 0.047 0.000 1.238 358 I HN 0.564 nan 8.210 nan 0.000 0.426 359 S N 7.073 122.978 115.700 0.341 0.000 2.410 359 S HA 0.627 5.098 4.470 0.001 0.000 0.304 359 S C -0.998 173.804 174.600 0.337 0.000 1.095 359 S CA -0.260 58.127 58.200 0.312 0.000 1.089 359 S CB -0.053 63.315 63.200 0.279 0.000 0.968 359 S HN 0.483 nan 8.310 nan 0.000 0.480 360 Y N 0.883 121.277 120.300 0.156 0.000 2.656 360 Y HA 0.637 5.187 4.550 0.001 0.000 0.334 360 Y C -1.280 174.666 175.900 0.076 0.000 1.179 360 Y CA -1.557 56.596 58.100 0.088 0.000 1.050 360 Y CB 0.340 38.885 38.460 0.142 0.000 1.308 360 Y HN 0.272 nan 8.280 nan 0.000 0.456 361 D N 2.286 122.717 120.400 0.051 0.000 2.210 361 D HA 0.223 4.863 4.640 0.001 0.000 0.249 361 D C -0.487 175.816 176.300 0.005 0.000 1.078 361 D CA -0.069 53.900 54.000 -0.051 0.000 0.875 361 D CB 1.080 41.850 40.800 -0.049 0.000 1.175 361 D HN 0.708 nan 8.370 nan 0.000 0.440 362 N N 1.212 119.902 118.700 -0.017 0.000 2.563 362 N HA 0.382 5.122 4.740 0.001 0.000 0.288 362 N C -2.368 173.173 175.510 0.051 0.000 1.246 362 N CA -1.682 51.443 53.050 0.124 0.000 0.946 362 N CB -0.117 38.439 38.487 0.115 0.000 1.213 362 N HN -0.112 nan 8.380 nan 0.000 0.578 363 P HA -0.192 nan 4.420 nan 0.000 0.216 363 P C 1.349 178.675 177.300 0.043 0.000 1.150 363 P CA 1.715 64.857 63.100 0.069 0.000 0.837 363 P CB 0.203 31.961 31.700 0.097 0.000 0.786 364 Q N -0.255 119.564 119.800 0.032 0.000 2.084 364 Q HA -0.134 4.206 4.340 0.001 0.000 0.202 364 Q C 1.815 177.821 176.000 0.010 0.000 0.978 364 Q CA 1.602 57.416 55.803 0.018 0.000 0.844 364 Q CB -0.524 28.217 28.738 0.005 0.000 0.898 364 Q HN 0.025 nan 8.270 nan 0.000 0.426 365 V N 0.966 120.878 119.914 -0.004 0.000 2.427 365 V HA -0.215 3.905 4.120 0.001 0.000 0.248 365 V C 2.354 178.451 176.094 0.005 0.000 1.051 365 V CA 1.565 63.856 62.300 -0.015 0.000 1.048 365 V CB -0.902 30.897 31.823 -0.041 0.000 0.666 365 V HN 0.535 nan 8.190 nan 0.000 0.456 366 A N 0.263 123.096 122.820 0.021 0.000 1.933 366 A HA -0.224 4.096 4.320 0.001 0.000 0.218 366 A C 2.113 179.736 177.584 0.064 0.000 1.175 366 A CA 1.927 53.999 52.037 0.060 0.000 0.628 366 A CB -0.602 18.441 19.000 0.072 0.000 0.814 366 A HN 0.581 nan 8.150 nan 0.000 0.444 367 N N 0.076 118.806 118.700 0.050 0.000 2.120 367 N HA -0.087 4.654 4.740 0.001 0.000 0.188 367 N C 1.742 177.281 175.510 0.048 0.000 1.024 367 N CA 1.383 54.463 53.050 0.049 0.000 0.852 367 N CB -0.398 38.114 38.487 0.041 0.000 1.003 367 N HN 0.504 nan 8.380 nan 0.000 0.424 368 L N 1.331 122.577 121.223 0.039 0.000 2.017 368 L HA -0.140 4.201 4.340 0.001 0.000 0.208 368 L C 2.226 179.132 176.870 0.059 0.000 1.073 368 L CA 1.242 56.108 54.840 0.044 0.000 0.745 368 L CB -0.266 41.806 42.059 0.021 0.000 0.894 368 L HN 0.095 nan 8.230 nan 0.000 0.432 369 K N -0.607 119.815 120.400 0.035 0.000 2.211 369 K HA -0.076 4.244 4.320 0.001 0.000 0.203 369 K C 2.238 178.898 176.600 0.099 0.000 1.050 369 K CA 1.178 57.498 56.287 0.055 0.000 0.945 369 K CB -0.021 32.485 32.500 0.009 0.000 0.732 369 K HN 0.192 nan 8.250 nan 0.000 0.451 370 S N 0.386 116.124 115.700 0.063 0.000 2.371 370 S HA -0.078 4.392 4.470 0.001 0.000 0.224 370 S C 2.095 176.704 174.600 0.016 0.000 1.029 370 S CA 1.243 59.455 58.200 0.019 0.000 0.978 370 S CB -0.282 62.934 63.200 0.028 0.000 0.833 370 S HN 0.551 nan 8.310 nan 0.000 0.466 371 G N -0.020 108.817 108.800 0.061 0.000 2.432 371 G HA2 -0.232 3.728 3.960 0.001 0.000 0.219 371 G HA3 -0.232 3.728 3.960 0.001 0.000 0.219 371 G C 1.246 176.214 174.900 0.114 0.000 1.135 371 G CA 0.662 45.806 45.100 0.073 0.000 0.767 371 G HN 0.529 nan 8.290 nan 0.000 0.550 372 Y N 1.119 121.418 120.300 -0.002 0.000 2.200 372 Y HA 0.013 4.563 4.550 0.001 0.000 0.290 372 Y C 2.552 178.442 175.900 -0.016 0.000 1.137 372 Y CA 1.025 59.127 58.100 0.002 0.000 1.163 372 Y CB -0.179 38.267 38.460 -0.024 0.000 0.988 372 Y HN 0.171 nan 8.280 nan 0.000 0.518 373 I N 0.196 120.760 120.570 -0.010 0.000 2.208 373 I HA -0.353 3.818 4.170 0.001 0.000 0.245 373 I C 2.327 178.382 176.117 -0.104 0.000 1.097 373 I CA 1.677 62.901 61.300 -0.126 0.000 1.363 373 I CB -0.351 37.549 38.000 -0.167 0.000 1.051 373 I HN 0.187 nan 8.210 nan 0.000 0.413 374 K N 0.453 120.805 120.400 -0.080 0.000 2.057 374 K HA -0.131 4.189 4.320 0.001 0.000 0.206 374 K C 2.305 178.929 176.600 0.040 0.000 1.050 374 K CA 1.773 58.083 56.287 0.038 0.000 0.935 374 K CB -0.273 32.249 32.500 0.036 0.000 0.715 374 K HN 0.404 nan 8.250 nan 0.000 0.439 375 S N 1.011 116.705 115.700 -0.010 0.000 2.399 375 S HA -0.111 4.359 4.470 0.001 0.000 0.231 375 S C 1.761 176.322 174.600 -0.065 0.000 1.022 375 S CA 0.989 59.180 58.200 -0.016 0.000 0.983 375 S CB -0.146 63.060 63.200 0.010 0.000 0.803 375 S HN 0.084 nan 8.310 nan 0.000 0.480 376 L N 1.269 122.398 121.223 -0.156 0.000 2.585 376 L HA 0.445 4.785 4.340 0.001 0.000 0.226 376 L C 1.657 178.481 176.870 -0.077 0.000 1.113 376 L CA 0.751 55.492 54.840 -0.166 0.000 0.876 376 L CB -0.597 41.255 42.059 -0.345 0.000 1.072 376 L HN 0.558 nan 8.230 nan 0.000 0.468 377 G N 0.340 109.137 108.800 -0.006 0.000 2.246 377 G HA2 -0.267 3.693 3.960 0.001 0.000 0.273 377 G HA3 -0.267 3.693 3.960 0.001 0.000 0.273 377 G C 0.358 175.289 174.900 0.052 0.000 1.055 377 G CA 0.142 45.274 45.100 0.054 0.000 0.851 377 G HN 0.248 nan 8.290 nan 0.000 0.500 378 L N -0.846 120.406 121.223 0.049 0.000 2.474 378 L HA 0.421 4.762 4.340 0.001 0.000 0.259 378 L C 2.070 179.005 176.870 0.108 0.000 1.232 378 L CA 0.262 55.114 54.840 0.019 0.000 0.821 378 L CB 0.267 42.296 42.059 -0.051 0.000 1.108 378 L HN 0.205 nan 8.230 nan 0.000 0.495 379 G N -0.470 108.353 108.800 0.038 0.000 2.679 379 G HA2 0.355 4.315 3.960 0.001 0.000 0.212 379 G HA3 0.355 4.315 3.960 0.001 0.000 0.212 379 G C 0.610 175.533 174.900 0.039 0.000 1.137 379 G CA 0.701 45.812 45.100 0.018 0.000 0.787 379 G HN 1.013 nan 8.290 nan 0.000 0.534 380 G N -1.511 107.326 108.800 0.063 0.000 2.260 380 G HA2 0.526 4.486 3.960 0.001 0.000 0.250 380 G HA3 0.526 4.486 3.960 0.001 0.000 0.250 380 G C -1.050 173.757 174.900 -0.154 0.000 1.340 380 G CA -0.199 44.898 45.100 -0.005 0.000 1.056 380 G HN 1.186 nan 8.290 nan 0.000 0.471 381 A N -0.500 122.171 122.820 -0.248 0.000 2.401 381 A HA 0.914 5.235 4.320 0.001 0.000 0.310 381 A C -0.324 176.896 177.584 -0.606 0.000 1.075 381 A CA -0.201 51.535 52.037 -0.503 0.000 0.746 381 A CB 1.936 20.522 19.000 -0.689 0.000 1.277 381 A HN 1.810 nan 8.150 nan 0.000 0.425 382 M N 2.246 121.442 119.600 -0.673 0.000 2.501 382 M HA 0.580 5.061 4.480 0.001 0.000 0.293 382 M C -2.353 173.742 176.300 -0.341 0.000 1.192 382 M CA -0.480 54.645 55.300 -0.292 0.000 0.886 382 M CB 1.703 34.340 32.600 0.063 0.000 1.710 382 M HN 0.802 nan 8.290 nan 0.000 0.457 383 W N 3.120 124.608 121.300 0.313 0.000 3.032 383 W HA 0.449 5.109 4.660 0.001 0.000 0.335 383 W C -1.369 175.397 176.519 0.412 0.000 1.154 383 W CA -0.645 56.884 57.345 0.307 0.000 1.204 383 W CB 1.655 31.213 29.460 0.164 0.000 1.416 383 W HN 0.711 nan 8.180 nan 0.000 0.521 384 W N 4.893 126.426 121.300 0.388 0.000 2.619 384 W HA 0.347 5.007 4.660 0.001 0.000 0.327 384 W C -1.432 175.226 176.519 0.232 0.000 1.027 384 W CA -0.660 56.819 57.345 0.224 0.000 1.233 384 W CB 1.635 31.100 29.460 0.008 0.000 1.370 384 W HN 0.557 nan 8.180 nan 0.000 0.453 385 D N 0.993 121.292 120.400 -0.168 0.000 2.523 385 D HA 0.318 4.958 4.640 0.001 0.000 0.236 385 D C 0.965 177.086 176.300 -0.299 0.000 1.094 385 D CA -0.389 53.254 54.000 -0.595 0.000 0.942 385 D CB 1.709 41.677 40.800 -1.386 0.000 1.447 385 D HN 0.081 nan 8.370 nan 0.000 0.479 386 S N 0.161 115.699 115.700 -0.269 0.000 2.440 386 S HA -0.267 4.204 4.470 0.001 0.000 0.240 386 S C 1.763 176.064 174.600 -0.497 0.000 1.014 386 S CA 1.346 59.438 58.200 -0.181 0.000 0.980 386 S CB -1.012 62.258 63.200 0.117 0.000 0.775 386 S HN 0.613 nan 8.310 nan 0.000 0.499 387 S N 1.467 116.676 115.700 -0.817 0.000 2.522 387 S HA 0.048 4.518 4.470 0.001 0.000 0.227 387 S C 1.490 175.840 174.600 -0.417 0.000 0.986 387 S CA 0.522 58.074 58.200 -1.080 0.000 0.929 387 S CB -0.563 62.122 63.200 -0.857 0.000 0.769 387 S HN 0.768 nan 8.310 nan 0.000 0.529 388 S N -0.115 115.469 115.700 -0.194 0.000 2.602 388 S HA 0.301 4.771 4.470 0.001 0.000 0.240 388 S C -0.279 174.389 174.600 0.113 0.000 0.992 388 S CA -0.632 57.585 58.200 0.028 0.000 0.971 388 S CB -0.124 63.170 63.200 0.157 0.000 0.855 388 S HN 0.378 nan 8.310 nan 0.000 0.481 389 D N 2.173 122.602 120.400 0.050 0.000 2.348 389 D HA 0.371 5.012 4.640 0.001 0.000 0.249 389 D C -0.062 176.306 176.300 0.113 0.000 1.110 389 D CA -0.304 53.790 54.000 0.156 0.000 0.967 389 D CB 1.000 41.795 40.800 -0.009 0.000 1.139 389 D HN 0.155 nan 8.370 nan 0.000 0.466 390 K N -0.191 120.311 120.400 0.170 0.000 2.127 390 K HA 0.414 4.735 4.320 0.001 0.000 0.240 390 K C 0.166 176.792 176.600 0.044 0.000 1.024 390 K CA -0.588 55.717 56.287 0.030 0.000 0.918 390 K CB 0.841 33.318 32.500 -0.038 0.000 1.108 390 K HN 0.569 nan 8.250 nan 0.000 0.485 391 T N -2.244 112.321 114.554 0.018 0.000 2.937 391 T HA 0.680 5.030 4.350 0.001 0.000 0.283 391 T C 0.623 175.334 174.700 0.018 0.000 1.012 391 T CA -0.186 61.925 62.100 0.017 0.000 0.997 391 T CB 1.474 70.350 68.868 0.013 0.000 1.136 391 T HN 0.838 nan 8.240 nan 0.000 0.551 392 G N 1.042 109.851 108.800 0.015 0.000 2.593 392 G HA2 -0.259 3.702 3.960 0.001 0.000 0.237 392 G HA3 -0.259 3.702 3.960 0.001 0.000 0.237 392 G C 0.978 175.892 174.900 0.023 0.000 1.312 392 G CA 0.850 45.960 45.100 0.015 0.000 0.896 392 G HN 1.916 nan 8.290 nan 0.000 0.574 393 S N -0.736 114.980 115.700 0.026 0.000 2.447 393 S HA -0.003 4.468 4.470 0.001 0.000 0.233 393 S C 1.382 176.015 174.600 0.055 0.000 1.006 393 S CA 1.916 60.136 58.200 0.033 0.000 0.957 393 S CB 0.057 63.274 63.200 0.028 0.000 0.773 393 S HN 0.560 nan 8.310 nan 0.000 0.507 394 D N 1.937 122.379 120.400 0.069 0.000 2.363 394 D HA 0.113 4.753 4.640 0.001 0.000 0.226 394 D C 0.583 177.003 176.300 0.199 0.000 1.020 394 D CA 0.284 54.361 54.000 0.129 0.000 0.892 394 D CB -0.104 40.759 40.800 0.106 0.000 0.900 394 D HN 0.450 nan 8.370 nan 0.000 0.531 395 S N 0.490 116.260 115.700 0.116 0.000 2.525 395 S HA 0.041 4.511 4.470 0.001 0.000 0.285 395 S C 1.557 176.169 174.600 0.021 0.000 1.283 395 S CA -0.455 57.797 58.200 0.087 0.000 1.072 395 S CB 0.394 63.596 63.200 0.005 0.000 0.867 395 S HN 0.116 nan 8.310 nan 0.000 0.492 396 L N 5.447 126.632 121.223 -0.063 0.000 2.156 396 L HA -0.054 4.287 4.340 0.001 0.000 0.208 396 L C 2.181 178.935 176.870 -0.193 0.000 1.095 396 L CA 0.969 55.723 54.840 -0.142 0.000 0.770 396 L CB -0.431 41.464 42.059 -0.274 0.000 0.914 396 L HN 0.733 nan 8.230 nan 0.000 0.439 397 I N -0.314 119.955 120.570 -0.501 0.000 2.226 397 I HA -0.262 3.908 4.170 0.001 0.000 0.245 397 I C 2.505 178.508 176.117 -0.191 0.000 1.100 397 I CA 1.506 62.360 61.300 -0.743 0.000 1.374 397 I CB -0.463 37.000 38.000 -0.895 0.000 1.057 397 I HN 0.248 nan 8.210 nan 0.000 0.413 398 T N 0.002 114.491 114.554 -0.107 0.000 2.746 398 T HA -0.158 4.193 4.350 0.001 0.000 0.267 398 T C 1.900 176.621 174.700 0.035 0.000 1.039 398 T CA 1.976 64.071 62.100 -0.008 0.000 1.142 398 T CB -0.351 68.514 68.868 -0.005 0.000 0.866 398 T HN 0.354 nan 8.240 nan 0.000 0.444 399 T N 1.852 116.427 114.554 0.035 0.000 2.684 399 T HA -0.094 4.257 4.350 0.001 0.000 0.267 399 T C 2.154 176.913 174.700 0.097 0.000 1.036 399 T CA 1.053 63.189 62.100 0.061 0.000 1.148 399 T CB -0.533 68.370 68.868 0.059 0.000 0.863 399 T HN 0.146 nan 8.240 nan 0.000 0.436 400 V N 1.001 121.012 119.914 0.161 0.000 2.307 400 V HA -0.127 3.994 4.120 0.001 0.000 0.245 400 V C 2.669 178.886 176.094 0.204 0.000 1.045 400 V CA 1.224 63.662 62.300 0.230 0.000 1.024 400 V CB -0.661 31.452 31.823 0.483 0.000 0.651 400 V HN 0.300 nan 8.190 nan 0.000 0.449 401 V N 0.845 120.905 119.914 0.244 0.000 2.332 401 V HA -0.272 3.848 4.120 0.001 0.000 0.248 401 V C 2.345 178.502 176.094 0.105 0.000 1.055 401 V CA 2.251 64.697 62.300 0.244 0.000 1.038 401 V CB -0.875 31.110 31.823 0.271 0.000 0.651 401 V HN 0.572 nan 8.190 nan 0.000 0.450 402 N N 0.532 119.274 118.700 0.071 0.000 2.142 402 N HA -0.083 4.658 4.740 0.001 0.000 0.186 402 N C 1.864 177.396 175.510 0.037 0.000 1.023 402 N CA 1.650 54.720 53.050 0.034 0.000 0.852 402 N CB -0.576 37.928 38.487 0.029 0.000 0.998 402 N HN 0.484 nan 8.380 nan 0.000 0.424 403 A N 0.839 123.689 122.820 0.050 0.000 2.019 403 A HA -0.006 4.315 4.320 0.001 0.000 0.219 403 A C 2.205 179.802 177.584 0.021 0.000 1.164 403 A CA 0.776 52.836 52.037 0.038 0.000 0.644 403 A CB -0.564 18.463 19.000 0.045 0.000 0.805 403 A HN 0.228 nan 8.150 nan 0.000 0.449 404 L N -1.881 119.352 121.223 0.017 0.000 2.395 404 L HA 0.125 4.465 4.340 0.001 0.000 0.218 404 L C 1.698 178.603 176.870 0.058 0.000 1.130 404 L CA 0.780 55.600 54.840 -0.034 0.000 0.826 404 L CB -0.073 41.934 42.059 -0.086 0.000 0.941 404 L HN 0.600 nan 8.230 nan 0.000 0.451 405 G N -1.135 107.694 108.800 0.049 0.000 2.198 405 G HA2 0.085 4.046 3.960 0.001 0.000 0.156 405 G HA3 0.085 4.046 3.960 0.001 0.000 0.156 405 G C 0.500 175.395 174.900 -0.009 0.000 1.012 405 G CA -0.324 44.802 45.100 0.043 0.000 0.692 405 G HN 0.710 nan 8.290 nan 0.000 0.492 406 G N -1.303 107.469 108.800 -0.048 0.000 2.756 406 G HA2 0.262 4.223 3.960 0.001 0.000 0.678 406 G HA3 0.262 4.223 3.960 0.001 0.000 0.678 406 G C 1.056 175.714 174.900 -0.403 0.000 1.349 406 G CA 0.881 45.886 45.100 -0.157 0.000 0.847 406 G HN 1.822 nan 8.290 nan 0.000 0.548 407 T N -2.055 112.147 114.554 -0.586 0.000 2.897 407 T HA 0.075 4.426 4.350 0.001 0.000 0.271 407 T C 2.543 176.897 174.700 -0.576 0.000 1.084 407 T CA 2.016 63.477 62.100 -1.066 0.000 1.123 407 T CB -0.429 68.089 68.868 -0.583 0.000 0.865 407 T HN 2.005 nan 8.240 nan 0.000 0.496 408 G N 1.544 110.180 108.800 -0.272 0.000 2.470 408 G HA2 -0.061 3.900 3.960 0.001 0.000 0.220 408 G HA3 -0.061 3.900 3.960 0.001 0.000 0.220 408 G C 1.507 176.388 174.900 -0.032 0.000 1.121 408 G CA 0.934 45.968 45.100 -0.109 0.000 0.766 408 G HN 0.783 nan 8.290 nan 0.000 0.553 409 V N -3.214 116.696 119.914 -0.007 0.000 3.649 409 V HA 0.423 4.543 4.120 0.001 0.000 0.275 409 V C 0.553 176.831 176.094 0.307 0.000 1.281 409 V CA -1.029 61.358 62.300 0.146 0.000 1.143 409 V CB -0.919 31.064 31.823 0.265 0.000 0.892 409 V HN -0.033 nan 8.190 nan 0.000 0.441 410 F N 2.356 122.369 119.950 0.105 0.000 2.506 410 F HA 0.353 4.880 4.527 0.001 0.000 0.351 410 F C 1.011 176.839 175.800 0.048 0.000 1.136 410 F CA -1.299 56.761 58.000 0.101 0.000 1.298 410 F CB 0.371 39.423 39.000 0.087 0.000 1.145 410 F HN 0.314 nan 8.300 nan 0.000 0.593 411 E N 2.314 122.636 120.200 0.204 0.000 2.413 411 E HA -0.009 4.342 4.350 0.001 0.000 0.263 411 E C -0.917 175.750 176.600 0.111 0.000 1.015 411 E CA -0.389 56.069 56.400 0.098 0.000 0.916 411 E CB 0.528 30.262 29.700 0.056 0.000 0.947 411 E HN 0.383 nan 8.360 nan 0.000 0.440 412 Q N 2.267 122.115 119.800 0.078 0.000 2.333 412 Q HA 0.325 4.666 4.340 0.001 0.000 0.265 412 Q C -1.193 174.836 176.000 0.049 0.000 0.989 412 Q CA -0.543 55.300 55.803 0.066 0.000 0.842 412 Q CB 1.853 30.623 28.738 0.055 0.000 1.262 412 Q HN 0.548 nan 8.270 nan 0.000 0.451 413 S N 1.993 117.717 115.700 0.040 0.000 2.605 413 S HA 0.250 4.720 4.470 0.001 0.000 0.279 413 S C -0.658 173.955 174.600 0.022 0.000 1.166 413 S CA -0.931 57.292 58.200 0.039 0.000 0.975 413 S CB 1.324 64.568 63.200 0.073 0.000 1.111 413 S HN 0.358 nan 8.310 nan 0.000 0.465 414 Q N 3.003 122.812 119.800 0.016 0.000 2.330 414 Q HA 0.161 4.501 4.340 0.001 0.000 0.279 414 Q C 0.479 176.488 176.000 0.016 0.000 1.024 414 Q CA 0.277 56.085 55.803 0.008 0.000 0.900 414 Q CB 0.419 29.158 28.738 0.002 0.000 1.221 414 Q HN 0.901 nan 8.270 nan 0.000 0.396 415 N N 0.698 119.407 118.700 0.016 0.000 2.364 415 N HA 0.133 4.874 4.740 0.001 0.000 0.264 415 N C -0.598 174.957 175.510 0.075 0.000 1.263 415 N CA -0.485 52.597 53.050 0.054 0.000 0.959 415 N CB 0.539 39.049 38.487 0.037 0.000 1.204 415 N HN 0.369 nan 8.380 nan 0.000 0.550 416 E N -0.965 119.336 120.200 0.167 0.000 2.151 416 E HA 0.340 4.691 4.350 0.001 0.000 0.275 416 E C -0.458 176.299 176.600 0.262 0.000 0.936 416 E CA -0.359 56.145 56.400 0.174 0.000 0.777 416 E CB 0.759 30.615 29.700 0.260 0.000 1.108 416 E HN 0.655 nan 8.360 nan 0.000 0.401 417 L N 2.445 123.772 121.223 0.173 0.000 2.638 417 L HA 0.341 4.682 4.340 0.001 0.000 0.232 417 L C 0.106 177.208 176.870 0.387 0.000 1.099 417 L CA -0.072 54.934 54.840 0.276 0.000 0.883 417 L CB 0.465 42.581 42.059 0.096 0.000 1.136 417 L HN 0.505 nan 8.230 nan 0.000 0.492 418 D N -0.318 120.144 120.400 0.105 0.000 2.317 418 D HA 0.196 4.837 4.640 0.001 0.000 0.234 418 D C -1.164 174.988 176.300 -0.247 0.000 1.112 418 D CA -0.129 53.889 54.000 0.030 0.000 0.840 418 D CB 0.556 41.348 40.800 -0.013 0.000 1.078 418 D HN -0.073 nan 8.370 nan 0.000 0.486 419 Y N 4.946 125.322 120.300 0.127 0.000 2.748 419 Y HA 0.256 4.807 4.550 0.001 0.000 0.359 419 Y C -1.550 174.395 175.900 0.074 0.000 1.030 419 Y CA -1.712 56.463 58.100 0.124 0.000 1.169 419 Y CB 1.543 40.037 38.460 0.057 0.000 1.127 419 Y HN 0.413 nan 8.280 nan 0.000 0.644 420 P HA -0.159 nan 4.420 nan 0.000 0.221 420 P C 0.801 178.147 177.300 0.077 0.000 1.145 420 P CA 1.460 64.603 63.100 0.071 0.000 0.795 420 P CB 0.397 32.113 31.700 0.028 0.000 0.775 421 V N -3.738 116.250 119.914 0.123 0.000 3.121 421 V HA 0.307 4.428 4.120 0.001 0.000 0.344 421 V C 0.771 176.905 176.094 0.068 0.000 1.390 421 V CA -0.627 61.731 62.300 0.095 0.000 1.177 421 V CB -0.638 31.261 31.823 0.128 0.000 1.163 421 V HN -0.021 nan 8.190 nan 0.000 0.484 422 S N 1.631 117.373 115.700 0.071 0.000 2.549 422 S HA 0.160 4.631 4.470 0.001 0.000 0.279 422 S C 1.381 175.921 174.600 -0.099 0.000 1.321 422 S CA 0.329 58.532 58.200 0.004 0.000 1.054 422 S CB 1.311 64.530 63.200 0.033 0.000 0.899 422 S HN 0.804 nan 8.310 nan 0.000 0.497 423 Q N 3.357 123.005 119.800 -0.254 0.000 2.364 423 Q HA -0.057 4.283 4.340 0.001 0.000 0.207 423 Q C -0.648 175.078 176.000 -0.455 0.000 0.970 423 Q CA 1.111 56.684 55.803 -0.383 0.000 0.888 423 Q CB -0.328 28.089 28.738 -0.535 0.000 0.951 423 Q HN 0.747 nan 8.270 nan 0.000 0.469 424 Y N 2.438 122.682 120.300 -0.094 0.000 2.404 424 Y HA 0.124 4.674 4.550 0.001 0.000 0.344 424 Y C 0.652 176.477 175.900 -0.124 0.000 0.995 424 Y CA -0.982 57.043 58.100 -0.125 0.000 1.201 424 Y CB 0.805 39.147 38.460 -0.196 0.000 1.151 424 Y HN 0.051 nan 8.280 nan 0.000 0.517 425 D N 1.789 122.205 120.400 0.027 0.000 2.123 425 D HA -0.215 4.425 4.640 0.001 0.000 0.196 425 D C 1.612 177.892 176.300 -0.033 0.000 0.992 425 D CA 1.653 55.650 54.000 -0.004 0.000 0.833 425 D CB -0.025 40.780 40.800 0.009 0.000 0.954 425 D HN 0.653 nan 8.370 nan 0.000 0.455 426 N N 1.558 120.222 118.700 -0.060 0.000 2.166 426 N HA -0.160 4.580 4.740 0.001 0.000 0.186 426 N C 2.072 177.463 175.510 -0.199 0.000 1.019 426 N CA 0.653 53.629 53.050 -0.123 0.000 0.856 426 N CB -0.919 37.455 38.487 -0.187 0.000 0.993 426 N HN 0.288 nan 8.380 nan 0.000 0.426 427 L N 0.195 121.265 121.223 -0.254 0.000 2.095 427 L HA 0.104 4.445 4.340 0.001 0.000 0.204 427 L C 2.860 179.557 176.870 -0.289 0.000 1.080 427 L CA 0.629 55.198 54.840 -0.451 0.000 0.759 427 L CB -0.202 41.560 42.059 -0.496 0.000 0.914 427 L HN 0.073 nan 8.230 nan 0.000 0.439 428 R N 0.098 120.530 120.500 -0.114 0.000 2.159 428 R HA -0.158 4.182 4.340 0.001 0.000 0.237 428 R C 1.054 177.351 176.300 -0.005 0.000 1.131 428 R CA 1.811 57.902 56.100 -0.016 0.000 0.982 428 R CB -0.276 30.025 30.300 0.002 0.000 0.868 428 R HN 0.546 nan 8.270 nan 0.000 0.453 429 N N -0.972 117.706 118.700 -0.036 0.000 2.276 429 N HA 0.098 4.838 4.740 0.001 0.000 0.212 429 N C 0.121 175.636 175.510 0.008 0.000 1.127 429 N CA 0.306 53.352 53.050 -0.008 0.000 0.834 429 N CB 1.087 39.567 38.487 -0.012 0.000 1.014 429 N HN 0.375 nan 8.380 nan 0.000 0.491 430 G N 1.407 110.211 108.800 0.006 0.000 2.143 430 G HA2 -0.331 3.630 3.960 0.001 0.000 0.249 430 G HA3 -0.331 3.630 3.960 0.001 0.000 0.249 430 G C 0.359 175.344 174.900 0.141 0.000 0.981 430 G CA 0.144 45.322 45.100 0.130 0.000 0.665 430 G HN 0.322 nan 8.290 nan 0.000 0.528 431 M N -0.539 119.039 119.600 -0.037 0.000 2.917 431 M HA -0.135 4.345 4.480 0.001 0.000 0.176 431 M C 0.543 176.855 176.300 0.020 0.000 1.181 431 M CA 0.415 55.698 55.300 -0.029 0.000 0.723 431 M CB -1.085 31.546 32.600 0.052 0.000 1.207 431 M HN 0.549 nan 8.290 nan 0.000 0.761 432 Q N 0.984 120.785 119.800 0.001 0.000 2.382 432 Q HA 0.876 5.216 4.340 0.001 0.000 0.229 432 Q C 0.885 176.881 176.000 -0.006 0.000 1.006 432 Q CA 0.899 56.706 55.803 0.006 0.000 0.916 432 Q CB 0.637 29.378 28.738 0.005 0.000 1.235 432 Q HN 0.787 nan 8.270 nan 0.000 0.512 433 T N 0.000 114.550 114.554 -0.007 0.000 3.816 433 T HA 0.000 4.351 4.350 0.001 0.000 0.228 433 T CA 0.000 nan 62.100 nan 0.000 1.349 433 T CB 0.000 nan 68.868 nan 0.000 0.612 433 T HN 0.000 nan 8.240 nan 0.000 0.658