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 3prn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLNGYGRF GLQYVEDRGV GLEDTIISSR LRINIVGTTE TDQGVTFGAK DATA SEQUENCE LRMQWDDGDA FAGTAGNAAQ FWTSYNGVTV SVGNVDTAFD SVALTYDSEM DATA SEQUENCE GYEWSSFGDA QSSFFAYNSK YDASGALDNY NGIAVTYSIS GVNLYLSYVD DATA SEQUENCE PDQTVDSSLV TEEFGIAADW SNDMISLAAA YTTDAGGIVD NDIAFVGAAY DATA SEQUENCE KFNDAGTVGL NWYDNGLSTA GDQVTLYGNY AFGATTVRAY VSDIDRAGAD DATA SEQUENCE TAYGIGADYQ FAEGVKVSGS VQSGFANETV ADVGVRFDF 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.324 55.300 0.040 0.000 0.988 1 M CB 0.000 32.630 32.600 0.051 0.000 1.302 2 I N 3.440 124.036 120.570 0.044 0.000 2.389 2 I HA 0.501 4.674 4.170 0.005 0.000 0.288 2 I C -0.409 175.743 176.117 0.058 0.000 0.999 2 I CA -0.388 60.941 61.300 0.048 0.000 1.129 2 I CB 2.232 40.255 38.000 0.039 0.000 1.288 2 I HN 0.747 nan 8.210 nan 0.000 0.444 3 S N 7.016 122.759 115.700 0.072 0.000 2.566 3 S HA 0.771 5.244 4.470 0.005 0.000 0.298 3 S C -0.778 173.873 174.600 0.084 0.000 1.083 3 S CA -0.953 57.292 58.200 0.077 0.000 0.978 3 S CB 2.214 65.463 63.200 0.081 0.000 1.073 3 S HN 0.387 nan 8.310 nan 0.000 0.491 4 L N 2.364 123.640 121.223 0.088 0.000 2.346 4 L HA 0.660 5.003 4.340 0.005 0.000 0.276 4 L C -0.595 176.351 176.870 0.128 0.000 1.006 4 L CA -0.733 54.169 54.840 0.102 0.000 0.817 4 L CB 1.477 43.596 42.059 0.100 0.000 1.272 4 L HN 1.025 nan 8.230 nan 0.000 0.421 5 N N 0.886 119.666 118.700 0.133 0.000 2.853 5 N HA 0.897 5.640 4.740 0.005 0.000 0.258 5 N C -0.614 174.964 175.510 0.113 0.000 1.444 5 N CA -0.409 52.726 53.050 0.142 0.000 0.837 5 N CB 2.424 40.959 38.487 0.079 0.000 1.489 5 N HN 0.744 nan 8.380 nan 0.000 0.529 6 G N -1.639 107.142 108.800 -0.031 0.000 2.336 6 G HA2 0.426 4.389 3.960 0.005 0.000 0.286 6 G HA3 0.426 4.389 3.960 0.005 0.000 0.286 6 G C -2.327 172.100 174.900 -0.788 0.000 1.269 6 G CA -0.264 44.681 45.100 -0.257 0.000 0.873 6 G HN 1.258 nan 8.290 nan 0.000 0.494 7 Y N -1.771 117.994 120.300 -0.892 0.000 2.592 7 Y HA 0.801 5.354 4.550 0.005 0.000 0.334 7 Y C -0.127 175.416 175.900 -0.595 0.000 1.136 7 Y CA -1.069 56.423 58.100 -1.014 0.000 1.042 7 Y CB 1.137 39.288 38.460 -0.515 0.000 1.325 7 Y HN 1.341 nan 8.280 nan 0.000 0.457 8 G N 1.725 110.209 108.800 -0.527 0.000 2.481 8 G HA2 0.743 4.706 3.960 0.005 0.000 0.315 8 G HA3 0.743 4.706 3.960 0.005 0.000 0.315 8 G C -1.689 172.993 174.900 -0.363 0.000 1.231 8 G CA -1.436 43.440 45.100 -0.374 0.000 0.968 8 G HN 1.043 nan 8.290 nan 0.000 0.482 9 R N -0.289 120.280 120.500 0.115 0.000 2.668 9 R HA 0.791 5.134 4.340 0.005 0.000 0.272 9 R C -1.736 174.808 176.300 0.407 0.000 1.019 9 R CA -0.909 55.306 56.100 0.193 0.000 0.894 9 R CB 1.804 32.257 30.300 0.255 0.000 1.228 9 R HN 0.822 nan 8.270 nan 0.000 0.460 10 F N -1.070 119.028 119.950 0.247 0.000 2.693 10 F HA 0.905 5.435 4.527 0.005 0.000 0.309 10 F C -0.578 175.098 175.800 -0.207 0.000 1.129 10 F CA -0.245 57.862 58.000 0.177 0.000 0.948 10 F CB 1.578 40.692 39.000 0.189 0.000 1.315 10 F HN 0.987 nan 8.300 nan 0.000 0.447 11 G N 0.747 109.558 108.800 0.019 0.000 2.335 11 G HA2 0.449 4.412 3.960 0.005 0.000 0.291 11 G HA3 0.449 4.412 3.960 0.005 0.000 0.291 11 G C -2.542 172.379 174.900 0.034 0.000 1.261 11 G CA -1.012 43.881 45.100 -0.346 0.000 0.871 11 G HN 0.832 nan 8.290 nan 0.000 0.491 12 L N 0.802 122.037 121.223 0.020 0.000 2.329 12 L HA 0.680 5.023 4.340 0.005 0.000 0.279 12 L C -0.072 176.937 176.870 0.232 0.000 1.014 12 L CA -0.603 54.316 54.840 0.132 0.000 0.814 12 L CB 2.030 44.133 42.059 0.073 0.000 1.257 12 L HN 0.584 nan 8.230 nan 0.000 0.424 13 Q N 3.059 122.980 119.800 0.202 0.000 2.309 13 Q HA 0.302 4.645 4.340 0.005 0.000 0.270 13 Q C -2.014 174.080 176.000 0.158 0.000 1.023 13 Q CA -0.674 55.228 55.803 0.164 0.000 0.758 13 Q CB 2.236 31.029 28.738 0.092 0.000 1.247 13 Q HN 0.581 nan 8.270 nan 0.000 0.455 14 Y N 3.551 123.866 120.300 0.025 0.000 2.364 14 Y HA 0.575 5.128 4.550 0.005 0.000 0.340 14 Y C -1.646 174.257 175.900 0.005 0.000 0.975 14 Y CA -0.612 57.497 58.100 0.015 0.000 1.089 14 Y CB 1.459 39.929 38.460 0.017 0.000 1.192 14 Y HN 0.342 nan 8.280 nan 0.000 0.454 15 V N 6.790 126.326 119.914 -0.631 0.000 2.419 15 V HA 0.172 4.294 4.120 0.005 0.000 0.287 15 V C -0.359 175.276 176.094 -0.766 0.000 1.017 15 V CA -1.069 60.918 62.300 -0.521 0.000 0.844 15 V CB 1.307 32.984 31.823 -0.244 0.000 1.011 15 V HN 0.838 nan 8.190 nan 0.000 0.429 16 E N 4.347 124.096 120.200 -0.752 0.000 2.558 16 E HA -0.035 4.318 4.350 0.005 0.000 0.255 16 E C -0.214 176.252 176.600 -0.224 0.000 0.968 16 E CA 0.151 56.281 56.400 -0.451 0.000 0.939 16 E CB 0.263 29.906 29.700 -0.095 0.000 0.921 16 E HN 0.720 nan 8.360 nan 0.000 0.477 17 D N 3.277 123.590 120.400 -0.146 0.000 2.740 17 D HA -0.243 4.400 4.640 0.005 0.000 0.231 17 D C 0.707 176.953 176.300 -0.091 0.000 1.194 17 D CA 0.749 54.701 54.000 -0.080 0.000 0.673 17 D CB -0.535 40.241 40.800 -0.040 0.000 0.995 17 D HN 0.625 nan 8.370 nan 0.000 0.411 18 R N 0.162 120.592 120.500 -0.116 0.000 2.127 18 R HA -0.011 4.332 4.340 0.005 0.000 0.238 18 R C 1.204 177.467 176.300 -0.062 0.000 1.134 18 R CA 1.603 57.644 56.100 -0.098 0.000 0.975 18 R CB 0.181 30.419 30.300 -0.104 0.000 0.865 18 R HN 0.462 nan 8.270 nan 0.000 0.447 19 G N -1.177 107.595 108.800 -0.047 0.000 2.358 19 G HA2 0.145 4.108 3.960 0.005 0.000 0.301 19 G HA3 0.145 4.108 3.960 0.005 0.000 0.301 19 G C -1.083 173.803 174.900 -0.024 0.000 1.539 19 G CA -0.483 44.597 45.100 -0.033 0.000 0.893 19 G HN 0.145 nan 8.290 nan 0.000 0.636 20 V N 0.094 119.997 119.914 -0.018 0.000 2.540 20 V HA 0.487 4.609 4.120 0.005 0.000 0.297 20 V C 1.635 177.722 176.094 -0.011 0.000 1.024 20 V CA 0.968 63.260 62.300 -0.012 0.000 1.105 20 V CB 0.461 32.278 31.823 -0.010 0.000 0.938 20 V HN 2.846 nan 8.190 nan 0.000 0.482 21 G N 3.212 112.008 108.800 -0.007 0.000 2.148 21 G HA2 -0.218 3.745 3.960 0.005 0.000 0.254 21 G HA3 -0.218 3.745 3.960 0.005 0.000 0.254 21 G C -0.156 174.741 174.900 -0.006 0.000 0.981 21 G CA 0.420 45.517 45.100 -0.004 0.000 0.670 21 G HN 0.844 nan 8.290 nan 0.000 0.528 22 L N 0.179 121.396 121.223 -0.010 0.000 2.331 22 L HA 0.552 4.895 4.340 0.005 0.000 0.275 22 L C 0.296 177.162 176.870 -0.006 0.000 1.022 22 L CA -1.238 53.595 54.840 -0.012 0.000 0.812 22 L CB 1.248 43.293 42.059 -0.024 0.000 1.257 22 L HN -0.065 nan 8.230 nan 0.000 0.435 23 E N 1.254 121.455 120.200 0.001 0.000 2.360 23 E HA -0.005 4.347 4.350 0.005 0.000 0.269 23 E C -0.081 176.521 176.600 0.003 0.000 1.022 23 E CA 0.059 56.468 56.400 0.015 0.000 0.887 23 E CB 1.213 30.929 29.700 0.026 0.000 0.990 23 E HN 0.440 nan 8.360 nan 0.000 0.426 24 D N 1.034 121.443 120.400 0.014 0.000 2.194 24 D HA -0.043 4.599 4.640 0.005 0.000 0.204 24 D C -0.024 176.280 176.300 0.008 0.000 0.964 24 D CA 1.065 55.036 54.000 -0.048 0.000 0.846 24 D CB 0.346 41.136 40.800 -0.017 0.000 0.962 24 D HN 0.217 nan 8.370 nan 0.000 0.490 25 T N 1.534 116.163 114.554 0.125 0.000 2.758 25 T HA 0.534 4.887 4.350 0.005 0.000 0.285 25 T C 0.371 175.128 174.700 0.095 0.000 0.981 25 T CA -0.567 61.631 62.100 0.164 0.000 0.965 25 T CB 1.121 70.113 68.868 0.206 0.000 0.927 25 T HN 0.019 nan 8.240 nan 0.000 0.448 26 I N -0.130 120.491 120.570 0.086 0.000 3.108 26 I HA 0.677 4.849 4.170 0.005 0.000 0.312 26 I C -0.855 175.324 176.117 0.102 0.000 1.095 26 I CA -1.716 59.628 61.300 0.075 0.000 1.000 26 I CB 1.769 39.798 38.000 0.048 0.000 1.229 26 I HN 0.426 nan 8.210 nan 0.000 0.454 27 I N 2.687 123.320 120.570 0.105 0.000 2.291 27 I HA 0.187 4.360 4.170 0.005 0.000 0.292 27 I C 0.255 176.474 176.117 0.170 0.000 1.064 27 I CA 0.178 61.565 61.300 0.144 0.000 1.269 27 I CB 1.140 39.218 38.000 0.129 0.000 1.418 27 I HN 0.590 nan 8.210 nan 0.000 0.485 28 S N 5.320 121.154 115.700 0.224 0.000 2.489 28 S HA 0.747 5.219 4.470 0.005 0.000 0.291 28 S C -0.301 174.487 174.600 0.313 0.000 1.151 28 S CA -0.413 57.904 58.200 0.194 0.000 1.082 28 S CB 0.806 64.081 63.200 0.125 0.000 1.019 28 S HN 0.689 nan 8.310 nan 0.000 0.492 29 S N 3.922 119.764 115.700 0.237 0.000 2.596 29 S HA 0.746 5.219 4.470 0.005 0.000 0.270 29 S C -1.052 173.699 174.600 0.251 0.000 1.155 29 S CA -1.101 57.317 58.200 0.363 0.000 0.827 29 S CB 1.709 65.203 63.200 0.490 0.000 1.130 29 S HN 0.945 nan 8.310 nan 0.000 0.467 30 R N 0.357 121.056 120.500 0.332 0.000 2.584 30 R HA 0.681 5.024 4.340 0.005 0.000 0.276 30 R C -2.385 174.089 176.300 0.290 0.000 1.046 30 R CA -0.873 55.373 56.100 0.244 0.000 0.906 30 R CB 1.547 31.936 30.300 0.148 0.000 1.215 30 R HN 0.734 nan 8.270 nan 0.000 0.449 31 L N 3.767 125.175 121.223 0.308 0.000 2.325 31 L HA 0.592 4.935 4.340 0.005 0.000 0.281 31 L C -1.142 175.730 176.870 0.005 0.000 1.004 31 L CA -0.286 54.664 54.840 0.182 0.000 0.823 31 L CB 1.497 43.711 42.059 0.258 0.000 1.236 31 L HN 0.715 nan 8.230 nan 0.000 0.415 32 R N 5.630 125.978 120.500 -0.255 0.000 2.480 32 R HA 0.706 5.049 4.340 0.005 0.000 0.306 32 R C -1.661 174.557 176.300 -0.137 0.000 0.958 32 R CA -0.578 55.335 56.100 -0.311 0.000 0.861 32 R CB 1.137 30.993 30.300 -0.740 0.000 1.171 32 R HN 0.790 nan 8.270 nan 0.000 0.445 33 I N 3.894 124.463 120.570 -0.003 0.000 2.436 33 I HA 0.315 4.487 4.170 0.005 0.000 0.289 33 I C -0.634 175.514 176.117 0.052 0.000 1.010 33 I CA -0.941 60.404 61.300 0.075 0.000 1.098 33 I CB 2.013 40.081 38.000 0.113 0.000 1.266 33 I HN 0.519 nan 8.210 nan 0.000 0.434 34 N N 7.390 126.124 118.700 0.057 0.000 2.399 34 N HA 0.574 5.317 4.740 0.005 0.000 0.295 34 N C -0.894 174.665 175.510 0.081 0.000 1.048 34 N CA -0.390 52.699 53.050 0.064 0.000 0.886 34 N CB 2.560 41.074 38.487 0.045 0.000 1.185 34 N HN 0.420 nan 8.380 nan 0.000 0.487 35 I N 1.805 122.425 120.570 0.083 0.000 2.382 35 I HA 0.322 4.495 4.170 0.005 0.000 0.286 35 I C -0.522 175.650 176.117 0.091 0.000 1.002 35 I CA -0.875 60.472 61.300 0.079 0.000 1.135 35 I CB 1.645 39.683 38.000 0.062 0.000 1.288 35 I HN -0.031 nan 8.210 nan 0.000 0.448 36 V N 5.068 125.044 119.914 0.103 0.000 2.444 36 V HA 0.618 4.740 4.120 0.005 0.000 0.294 36 V C 0.417 176.565 176.094 0.091 0.000 1.022 36 V CA -0.523 61.861 62.300 0.140 0.000 0.850 36 V CB 1.754 33.701 31.823 0.206 0.000 0.992 36 V HN 0.874 nan 8.190 nan 0.000 0.426 37 G N 2.570 111.388 108.800 0.031 0.000 2.372 37 G HA2 0.701 4.664 3.960 0.005 0.000 0.323 37 G HA3 0.701 4.664 3.960 0.005 0.000 0.323 37 G C -0.291 174.585 174.900 -0.040 0.000 1.152 37 G CA -0.336 44.766 45.100 0.003 0.000 0.906 37 G HN 0.790 nan 8.290 nan 0.000 0.460 38 T N -1.458 113.102 114.554 0.009 0.000 2.912 38 T HA 0.704 5.057 4.350 0.005 0.000 0.299 38 T C -0.599 174.129 174.700 0.048 0.000 1.052 38 T CA -0.760 61.352 62.100 0.019 0.000 0.996 38 T CB 2.176 71.109 68.868 0.109 0.000 1.070 38 T HN 0.327 nan 8.240 nan 0.000 0.465 39 T N 2.719 117.319 114.554 0.076 0.000 2.864 39 T HA 0.430 4.783 4.350 0.005 0.000 0.299 39 T C -0.472 174.326 174.700 0.164 0.000 1.011 39 T CA -0.658 61.502 62.100 0.100 0.000 0.975 39 T CB 1.134 70.049 68.868 0.077 0.000 0.962 39 T HN 0.691 nan 8.240 nan 0.000 0.448 40 E N 2.003 122.279 120.200 0.127 0.000 2.283 40 E HA 0.587 4.940 4.350 0.005 0.000 0.271 40 E C 0.217 176.895 176.600 0.130 0.000 1.031 40 E CA -0.737 55.742 56.400 0.132 0.000 0.868 40 E CB 1.157 30.918 29.700 0.101 0.000 1.094 40 E HN 0.675 nan 8.360 nan 0.000 0.401 41 T N -1.843 112.793 114.554 0.136 0.000 2.916 41 T HA 0.184 4.536 4.350 0.005 0.000 0.292 41 T C 0.316 175.072 174.700 0.093 0.000 1.064 41 T CA -0.889 61.282 62.100 0.118 0.000 1.011 41 T CB 1.309 70.268 68.868 0.151 0.000 1.152 41 T HN 0.448 nan 8.240 nan 0.000 0.510 42 D N -0.078 120.366 120.400 0.074 0.000 2.363 42 D HA -0.081 4.561 4.640 0.005 0.000 0.220 42 D C 1.481 177.824 176.300 0.072 0.000 0.994 42 D CA 0.474 54.513 54.000 0.065 0.000 0.890 42 D CB -0.113 40.716 40.800 0.049 0.000 0.906 42 D HN 0.466 nan 8.370 nan 0.000 0.530 43 Q N 0.025 119.869 119.800 0.075 0.000 2.472 43 Q HA 0.153 4.496 4.340 0.005 0.000 0.208 43 Q C 1.537 177.615 176.000 0.129 0.000 0.958 43 Q CA 0.908 56.754 55.803 0.071 0.000 0.932 43 Q CB 0.259 29.012 28.738 0.026 0.000 1.007 43 Q HN 0.557 nan 8.270 nan 0.000 0.508 44 G N 0.326 109.211 108.800 0.143 0.000 2.157 44 G HA2 -0.241 3.721 3.960 0.005 0.000 0.248 44 G HA3 -0.241 3.721 3.960 0.005 0.000 0.248 44 G C 0.108 175.162 174.900 0.256 0.000 0.979 44 G CA 0.211 45.433 45.100 0.204 0.000 0.650 44 G HN 0.226 nan 8.290 nan 0.000 0.529 45 V N 1.674 121.672 119.914 0.141 0.000 2.383 45 V HA 0.605 4.728 4.120 0.005 0.000 0.275 45 V C 0.641 176.721 176.094 -0.024 0.000 1.036 45 V CA 0.085 62.397 62.300 0.021 0.000 0.889 45 V CB 1.491 33.230 31.823 -0.139 0.000 0.985 45 V HN 0.271 nan 8.190 nan 0.000 0.459 46 T N 5.878 120.396 114.554 -0.060 0.000 2.829 46 T HA 0.663 5.016 4.350 0.005 0.000 0.282 46 T C -0.654 173.912 174.700 -0.224 0.000 0.990 46 T CA -0.034 62.069 62.100 0.006 0.000 1.028 46 T CB 0.683 69.632 68.868 0.136 0.000 0.951 46 T HN 0.303 nan 8.240 nan 0.000 0.460 47 F N 1.152 121.087 119.950 -0.025 0.000 2.469 47 F HA 0.724 5.254 4.527 0.005 0.000 0.332 47 F C 0.835 176.385 175.800 -0.417 0.000 1.103 47 F CA -0.597 57.298 58.000 -0.174 0.000 0.979 47 F CB 2.090 41.020 39.000 -0.117 0.000 1.137 47 F HN 0.709 nan 8.300 nan 0.000 0.463 48 G N 0.411 108.715 108.800 -0.827 0.000 2.690 48 G HA2 0.784 4.747 3.960 0.005 0.000 0.293 48 G HA3 0.784 4.747 3.960 0.005 0.000 0.293 48 G C -2.185 171.940 174.900 -1.292 0.000 1.399 48 G CA -0.947 43.321 45.100 -1.387 0.000 0.890 48 G HN 0.875 nan 8.290 nan 0.000 0.485 49 A N 0.424 122.739 122.820 -0.841 0.000 2.486 49 A HA 0.903 5.226 4.320 0.005 0.000 0.300 49 A C -0.646 176.839 177.584 -0.165 0.000 1.048 49 A CA -0.689 51.084 52.037 -0.440 0.000 0.696 49 A CB 2.075 20.938 19.000 -0.229 0.000 1.278 49 A HN 1.203 nan 8.150 nan 0.000 0.405 50 K N 1.169 121.565 120.400 -0.006 0.000 2.469 50 K HA 0.818 5.141 4.320 0.005 0.000 0.254 50 K C -2.116 174.521 176.600 0.062 0.000 0.939 50 K CA -0.658 55.706 56.287 0.129 0.000 0.812 50 K CB 1.978 34.667 32.500 0.315 0.000 1.301 50 K HN 0.645 nan 8.250 nan 0.000 0.433 51 L N 1.951 123.221 121.223 0.078 0.000 2.388 51 L HA 0.597 4.940 4.340 0.005 0.000 0.264 51 L C -1.257 175.678 176.870 0.108 0.000 0.998 51 L CA -0.472 54.412 54.840 0.073 0.000 0.817 51 L CB 2.152 44.234 42.059 0.038 0.000 1.338 51 L HN 0.863 nan 8.230 nan 0.000 0.414 52 R N 4.198 124.769 120.500 0.118 0.000 2.670 52 R HA 0.755 5.098 4.340 0.005 0.000 0.289 52 R C -1.594 174.753 176.300 0.078 0.000 0.965 52 R CA -0.588 55.578 56.100 0.110 0.000 0.899 52 R CB 1.511 31.912 30.300 0.167 0.000 1.173 52 R HN 0.758 nan 8.270 nan 0.000 0.456 53 M N 3.838 123.481 119.600 0.072 0.000 2.046 53 M HA 0.273 4.756 4.480 0.005 0.000 0.309 53 M C -1.071 175.278 176.300 0.081 0.000 0.935 53 M CA -0.351 54.999 55.300 0.083 0.000 0.915 53 M CB 2.096 34.745 32.600 0.082 0.000 1.474 53 M HN 0.514 nan 8.290 nan 0.000 0.415 54 Q N 2.495 122.348 119.800 0.088 0.000 2.337 54 Q HA 0.480 4.822 4.340 0.005 0.000 0.270 54 Q C -2.104 173.988 176.000 0.155 0.000 1.043 54 Q CA -0.634 55.215 55.803 0.075 0.000 0.794 54 Q CB 2.596 31.334 28.738 0.000 0.000 1.281 54 Q HN 0.747 nan 8.270 nan 0.000 0.446 55 W N 3.584 124.885 121.300 0.001 0.000 2.632 55 W HA 0.503 5.165 4.660 0.005 0.000 0.328 55 W C -1.516 175.012 176.519 0.014 0.000 1.044 55 W CA -0.262 57.096 57.345 0.022 0.000 1.225 55 W CB 1.578 31.062 29.460 0.040 0.000 1.396 55 W HN 0.642 nan 8.180 nan 0.000 0.499 56 D N 3.569 123.381 120.400 -0.981 0.000 2.575 56 D HA 0.113 4.756 4.640 0.005 0.000 0.236 56 D C -0.644 174.631 176.300 -1.708 0.000 1.075 56 D CA -0.432 52.948 54.000 -1.032 0.000 0.860 56 D CB 1.458 41.956 40.800 -0.503 0.000 1.475 56 D HN 0.376 nan 8.370 nan 0.000 0.474 57 D N 0.943 120.620 120.400 -1.205 0.000 2.472 57 D HA 0.184 4.827 4.640 0.005 0.000 0.237 57 D C 0.984 177.036 176.300 -0.412 0.000 1.141 57 D CA 0.260 53.859 54.000 -0.668 0.000 0.875 57 D CB 1.131 41.847 40.800 -0.141 0.000 1.192 57 D HN 0.666 nan 8.370 nan 0.000 0.450 58 G N 2.299 110.970 108.800 -0.214 0.000 2.217 58 G HA2 -0.246 3.717 3.960 0.005 0.000 0.246 58 G HA3 -0.246 3.717 3.960 0.005 0.000 0.246 58 G C 0.024 174.821 174.900 -0.172 0.000 0.990 58 G CA 0.153 45.163 45.100 -0.150 0.000 0.627 58 G HN 0.681 nan 8.290 nan 0.000 0.522 59 D N 1.595 121.836 120.400 -0.265 0.000 2.472 59 D HA 0.497 5.140 4.640 0.005 0.000 0.237 59 D C 1.069 177.332 176.300 -0.061 0.000 1.141 59 D CA 0.922 54.814 54.000 -0.181 0.000 0.875 59 D CB 0.961 41.653 40.800 -0.181 0.000 1.192 59 D HN 0.828 nan 8.370 nan 0.000 0.450 60 A N 2.230 124.971 122.820 -0.132 0.000 2.531 60 A HA 0.235 4.558 4.320 0.005 0.000 0.236 60 A C 0.349 177.823 177.584 -0.183 0.000 1.062 60 A CA -0.110 51.706 52.037 -0.369 0.000 0.760 60 A CB -0.380 18.262 19.000 -0.597 0.000 0.995 60 A HN 0.619 nan 8.150 nan 0.000 0.501 61 F N -0.441 119.570 119.950 0.101 0.000 2.825 61 F HA -0.277 4.253 4.527 0.005 0.000 0.358 61 F C 1.383 177.254 175.800 0.119 0.000 0.639 61 F CA 1.267 59.322 58.000 0.092 0.000 1.153 61 F CB -2.071 36.974 39.000 0.074 0.000 1.610 61 F HN 2.024 nan 8.300 nan 0.000 0.305 62 A N -0.776 122.212 122.820 0.280 0.000 2.745 62 A HA 0.207 4.530 4.320 0.005 0.000 0.296 62 A C 0.949 178.701 177.584 0.281 0.000 1.500 62 A CA 1.516 53.740 52.037 0.311 0.000 0.766 62 A CB -1.695 17.425 19.000 0.200 0.000 1.030 62 A HN 2.055 nan 8.150 nan 0.000 0.489 63 G N -2.001 107.013 108.800 0.357 0.000 2.733 63 G HA2 0.826 4.788 3.960 0.005 0.000 0.288 63 G HA3 0.826 4.788 3.960 0.005 0.000 0.288 63 G C -0.736 174.374 174.900 0.349 0.000 1.373 63 G CA 0.268 45.527 45.100 0.265 0.000 0.895 63 G HN 0.838 nan 8.290 nan 0.000 0.479 64 T N -0.439 114.253 114.554 0.230 0.000 2.893 64 T HA 0.786 5.139 4.350 0.005 0.000 0.293 64 T C -0.220 174.573 174.700 0.154 0.000 1.027 64 T CA 0.016 62.266 62.100 0.249 0.000 0.988 64 T CB 1.748 70.740 68.868 0.206 0.000 1.043 64 T HN 1.244 nan 8.240 nan 0.000 0.461 65 A N 1.363 124.286 122.820 0.173 0.000 2.530 65 A HA 0.983 5.306 4.320 0.005 0.000 0.288 65 A C 0.125 177.779 177.584 0.118 0.000 1.172 65 A CA -0.661 51.436 52.037 0.100 0.000 0.733 65 A CB 1.124 20.134 19.000 0.018 0.000 1.320 65 A HN 1.023 nan 8.150 nan 0.000 0.419 66 G N 0.111 108.955 108.800 0.074 0.000 2.504 66 G HA2 0.463 4.426 3.960 0.005 0.000 0.288 66 G HA3 0.463 4.426 3.960 0.005 0.000 0.288 66 G C -0.038 174.909 174.900 0.078 0.000 1.182 66 G CA -0.128 45.013 45.100 0.069 0.000 0.894 66 G HN 1.019 nan 8.290 nan 0.000 0.521 67 N N -0.510 118.216 118.700 0.044 0.000 2.531 67 N HA 0.593 5.336 4.740 0.005 0.000 0.301 67 N C -0.002 175.500 175.510 -0.013 0.000 1.310 67 N CA -0.170 52.879 53.050 -0.001 0.000 0.949 67 N CB 0.395 38.825 38.487 -0.095 0.000 1.111 67 N HN 0.628 nan 8.380 nan 0.000 0.565 68 A N -1.155 121.629 122.820 -0.060 0.000 2.304 68 A HA 0.694 5.016 4.320 0.005 0.000 0.301 68 A C 0.212 177.783 177.584 -0.022 0.000 1.132 68 A CA -0.439 51.586 52.037 -0.021 0.000 0.819 68 A CB -0.129 18.857 19.000 -0.023 0.000 1.094 68 A HN 0.925 nan 8.150 nan 0.000 0.492 69 A N 0.800 123.611 122.820 -0.016 0.000 2.366 69 A HA 0.534 4.857 4.320 0.005 0.000 0.249 69 A C 0.203 177.685 177.584 -0.169 0.000 1.084 69 A CA -0.130 51.812 52.037 -0.158 0.000 0.794 69 A CB 0.274 19.054 19.000 -0.367 0.000 1.034 69 A HN 0.900 nan 8.150 nan 0.000 0.491 70 Q N 0.236 119.886 119.800 -0.249 0.000 2.353 70 Q HA 0.647 4.990 4.340 0.005 0.000 0.268 70 Q C -2.032 173.776 176.000 -0.320 0.000 1.045 70 Q CA -0.414 55.366 55.803 -0.038 0.000 0.811 70 Q CB 1.149 30.051 28.738 0.274 0.000 1.305 70 Q HN 0.601 nan 8.270 nan 0.000 0.447 71 F N 2.398 122.509 119.950 0.268 0.000 2.551 71 F HA 0.699 5.229 4.527 0.005 0.000 0.316 71 F C -0.703 175.286 175.800 0.316 0.000 1.089 71 F CA -0.631 57.465 58.000 0.160 0.000 0.915 71 F CB 1.177 40.231 39.000 0.089 0.000 1.186 71 F HN 0.615 nan 8.300 nan 0.000 0.456 72 W N -0.133 121.336 121.300 0.281 0.000 3.075 72 W HA 0.852 5.515 4.660 0.005 0.000 0.334 72 W C -2.083 174.505 176.519 0.115 0.000 1.243 72 W CA -1.226 56.224 57.345 0.174 0.000 1.170 72 W CB 1.299 30.824 29.460 0.109 0.000 1.452 72 W HN 0.411 nan 8.180 nan 0.000 0.572 73 T N 2.148 116.858 114.554 0.261 0.000 2.928 73 T HA 0.591 4.944 4.350 0.005 0.000 0.296 73 T C -1.076 173.683 174.700 0.097 0.000 1.000 73 T CA -0.660 61.403 62.100 -0.063 0.000 0.989 73 T CB 1.476 70.213 68.868 -0.218 0.000 1.005 73 T HN 0.459 nan 8.240 nan 0.000 0.442 74 S N 2.195 117.946 115.700 0.085 0.000 2.513 74 S HA 0.771 5.244 4.470 0.005 0.000 0.299 74 S C -1.686 173.005 174.600 0.151 0.000 1.087 74 S CA -0.735 57.550 58.200 0.141 0.000 1.012 74 S CB 1.322 64.625 63.200 0.171 0.000 1.044 74 S HN 0.692 nan 8.310 nan 0.000 0.485 75 Y N 2.251 122.546 120.300 -0.007 0.000 2.299 75 Y HA 0.312 4.865 4.550 0.005 0.000 0.318 75 Y C -0.498 175.411 175.900 0.015 0.000 1.205 75 Y CA -0.872 57.222 58.100 -0.011 0.000 1.106 75 Y CB 0.490 38.929 38.460 -0.035 0.000 1.246 75 Y HN 0.773 nan 8.280 nan 0.000 0.415 76 N N 4.193 122.605 118.700 -0.479 0.000 2.738 76 N HA -0.153 4.590 4.740 0.005 0.000 0.249 76 N C 0.908 176.354 175.510 -0.106 0.000 1.047 76 N CA 2.326 55.126 53.050 -0.417 0.000 0.707 76 N CB -1.003 37.057 38.487 -0.711 0.000 0.937 76 N HN 1.583 nan 8.380 nan 0.000 0.545 77 G N -3.231 105.558 108.800 -0.018 0.000 2.234 77 G HA2 -0.314 3.649 3.960 0.005 0.000 0.260 77 G HA3 -0.314 3.649 3.960 0.005 0.000 0.260 77 G C 0.104 175.120 174.900 0.194 0.000 0.987 77 G CA 0.334 45.488 45.100 0.089 0.000 0.625 77 G HN 0.602 nan 8.290 nan 0.000 0.532 78 V N 1.458 121.446 119.914 0.124 0.000 2.427 78 V HA 0.708 4.831 4.120 0.005 0.000 0.286 78 V C 0.273 176.425 176.094 0.096 0.000 1.034 78 V CA 0.123 62.489 62.300 0.110 0.000 0.893 78 V CB 1.750 33.569 31.823 -0.006 0.000 0.982 78 V HN 0.281 nan 8.190 nan 0.000 0.452 79 T N 4.062 118.672 114.554 0.093 0.000 2.841 79 T HA 0.569 4.921 4.350 0.005 0.000 0.285 79 T C -0.597 174.177 174.700 0.123 0.000 0.991 79 T CA -0.388 61.774 62.100 0.102 0.000 0.966 79 T CB 1.682 70.577 68.868 0.044 0.000 0.962 79 T HN 0.334 nan 8.240 nan 0.000 0.438 80 V N 3.696 123.706 119.914 0.159 0.000 2.417 80 V HA 0.732 4.854 4.120 0.005 0.000 0.291 80 V C 0.042 176.284 176.094 0.247 0.000 1.024 80 V CA -0.746 61.657 62.300 0.170 0.000 0.861 80 V CB 1.656 33.562 31.823 0.138 0.000 0.985 80 V HN 1.058 nan 8.190 nan 0.000 0.436 81 S N 3.971 119.823 115.700 0.253 0.000 2.542 81 S HA 0.928 5.401 4.470 0.005 0.000 0.293 81 S C -1.008 173.767 174.600 0.292 0.000 1.089 81 S CA -0.722 57.671 58.200 0.322 0.000 0.961 81 S CB 2.141 65.525 63.200 0.307 0.000 1.062 81 S HN 0.433 nan 8.310 nan 0.000 0.483 82 V N 1.283 121.406 119.914 0.349 0.000 3.007 82 V HA 0.921 5.044 4.120 0.005 0.000 0.311 82 V C 0.961 177.289 176.094 0.390 0.000 1.120 82 V CA 0.297 62.789 62.300 0.319 0.000 0.980 82 V CB 1.011 32.995 31.823 0.270 0.000 1.033 82 V HN 1.703 nan 8.190 nan 0.000 0.429 83 G N 3.258 112.243 108.800 0.307 0.000 2.754 83 G HA2 -0.222 3.741 3.960 0.005 0.000 0.241 83 G HA3 -0.222 3.741 3.960 0.005 0.000 0.241 83 G C -0.023 175.042 174.900 0.274 0.000 1.281 83 G CA 0.293 45.581 45.100 0.312 0.000 0.971 83 G HN 0.990 nan 8.290 nan 0.000 0.569 84 N N 1.661 120.517 118.700 0.259 0.000 2.807 84 N HA 0.425 5.167 4.740 0.005 0.000 0.259 84 N C 0.573 176.296 175.510 0.356 0.000 1.149 84 N CA 0.493 53.691 53.050 0.247 0.000 1.042 84 N CB -0.005 38.508 38.487 0.045 0.000 1.367 84 N HN 1.283 nan 8.380 nan 0.000 0.516 85 V N -0.221 119.897 119.914 0.340 0.000 2.904 85 V HA 0.465 4.588 4.120 0.005 0.000 0.305 85 V C 0.369 176.664 176.094 0.336 0.000 1.067 85 V CA -0.893 61.597 62.300 0.317 0.000 1.044 85 V CB 1.094 33.062 31.823 0.242 0.000 1.050 85 V HN 0.307 nan 8.190 nan 0.000 0.475 86 D N 2.524 123.068 120.400 0.239 0.000 2.351 86 D HA 0.328 4.970 4.640 0.005 0.000 0.251 86 D C 0.484 176.896 176.300 0.187 0.000 1.137 86 D CA 0.360 54.472 54.000 0.186 0.000 0.879 86 D CB 1.640 42.481 40.800 0.067 0.000 1.181 86 D HN 0.990 nan 8.370 nan 0.000 0.448 87 T N -1.633 113.041 114.554 0.201 0.000 2.934 87 T HA 0.508 4.861 4.350 0.005 0.000 0.283 87 T C 1.276 176.036 174.700 0.099 0.000 1.005 87 T CA -0.736 61.474 62.100 0.183 0.000 1.041 87 T CB 1.867 70.890 68.868 0.258 0.000 1.042 87 T HN 0.246 nan 8.240 nan 0.000 0.505 88 A N 0.991 123.857 122.820 0.077 0.000 1.908 88 A HA 0.019 4.342 4.320 0.005 0.000 0.218 88 A C 1.844 179.375 177.584 -0.088 0.000 1.181 88 A CA 1.240 53.273 52.037 -0.006 0.000 0.627 88 A CB -1.221 17.808 19.000 0.048 0.000 0.818 88 A HN 0.859 nan 8.150 nan 0.000 0.445 89 F N 0.412 120.248 119.950 -0.190 0.000 2.293 89 F HA -0.093 4.437 4.527 0.005 0.000 0.300 89 F C 1.724 177.294 175.800 -0.383 0.000 1.086 89 F CA 1.786 59.579 58.000 -0.344 0.000 1.375 89 F CB -0.047 38.629 39.000 -0.540 0.000 1.045 89 F HN 0.357 nan 8.300 nan 0.000 0.516 90 D N -1.537 118.849 120.400 -0.023 0.000 2.333 90 D HA -0.025 4.618 4.640 0.005 0.000 0.208 90 D C 1.818 178.111 176.300 -0.012 0.000 0.984 90 D CA 0.895 54.969 54.000 0.123 0.000 0.873 90 D CB 0.217 41.236 40.800 0.366 0.000 0.935 90 D HN 0.109 nan 8.370 nan 0.000 0.521 91 S N -0.539 115.032 115.700 -0.215 0.000 2.502 91 S HA 0.106 4.579 4.470 0.005 0.000 0.215 91 S C 0.638 174.876 174.600 -0.604 0.000 1.009 91 S CA -0.226 57.768 58.200 -0.342 0.000 0.908 91 S CB 0.490 63.460 63.200 -0.383 0.000 0.801 91 S HN 0.181 nan 8.310 nan 0.000 0.505 92 V N 1.720 121.217 119.914 -0.696 0.000 3.032 92 V HA 0.482 4.605 4.120 0.005 0.000 0.307 92 V C 0.737 176.697 176.094 -0.223 0.000 1.097 92 V CA -1.025 60.980 62.300 -0.492 0.000 1.191 92 V CB -0.473 31.227 31.823 -0.205 0.000 0.964 92 V HN 0.322 nan 8.190 nan 0.000 0.494 93 A N 2.873 125.672 122.820 -0.036 0.000 2.346 93 A HA 0.656 4.979 4.320 0.005 0.000 0.252 93 A C 1.038 178.647 177.584 0.042 0.000 1.089 93 A CA 0.184 52.224 52.037 0.004 0.000 0.797 93 A CB -0.099 18.933 19.000 0.053 0.000 1.047 93 A HN 1.537 nan 8.150 nan 0.000 0.494 94 L N -1.110 120.129 121.223 0.028 0.000 3.898 94 L HA -0.290 4.053 4.340 0.005 0.000 0.382 94 L C 1.967 178.799 176.870 -0.064 0.000 0.711 94 L CA 1.604 56.501 54.840 0.093 0.000 2.828 94 L CB -1.922 40.306 42.059 0.282 0.000 0.852 94 L HN 0.847 nan 8.230 nan 0.000 0.694 95 T N -1.208 113.122 114.554 -0.373 0.000 2.881 95 T HA -0.110 4.243 4.350 0.005 0.000 0.270 95 T C 1.071 175.355 174.700 -0.693 0.000 1.068 95 T CA 1.982 63.551 62.100 -0.885 0.000 1.131 95 T CB -0.171 67.720 68.868 -1.628 0.000 0.871 95 T HN 0.427 nan 8.240 nan 0.000 0.479 96 Y N 0.467 120.609 120.300 -0.263 0.000 2.584 96 Y HA 0.350 4.903 4.550 0.005 0.000 0.254 96 Y C 1.318 177.067 175.900 -0.252 0.000 1.177 96 Y CA -1.067 56.895 58.100 -0.230 0.000 1.216 96 Y CB 0.193 38.542 38.460 -0.184 0.000 1.172 96 Y HN 0.165 nan 8.280 nan 0.000 0.529 97 D N -0.714 119.549 120.400 -0.229 0.000 2.378 97 D HA -0.091 4.552 4.640 0.005 0.000 0.227 97 D C 1.874 177.824 176.300 -0.583 0.000 1.012 97 D CA 0.959 54.757 54.000 -0.336 0.000 0.905 97 D CB -0.032 40.612 40.800 -0.260 0.000 0.895 97 D HN 0.319 nan 8.370 nan 0.000 0.532 98 S N -0.799 114.551 115.700 -0.584 0.000 2.548 98 S HA 0.035 4.508 4.470 0.005 0.000 0.215 98 S C 0.727 175.259 174.600 -0.114 0.000 0.976 98 S CA -0.403 57.571 58.200 -0.377 0.000 0.908 98 S CB 0.126 63.108 63.200 -0.363 0.000 0.781 98 S HN 0.094 nan 8.310 nan 0.000 0.519 99 E N 1.444 121.621 120.200 -0.038 0.000 2.436 99 E HA 0.361 4.714 4.350 0.005 0.000 0.262 99 E C 0.045 176.805 176.600 0.266 0.000 1.063 99 E CA 0.453 56.917 56.400 0.107 0.000 0.944 99 E CB 0.345 30.176 29.700 0.218 0.000 0.950 99 E HN 0.666 nan 8.360 nan 0.000 0.444 100 M N -0.998 118.646 119.600 0.074 0.000 2.880 100 M HA 0.668 5.150 4.480 0.005 0.000 0.269 100 M C -0.219 175.787 176.300 -0.491 0.000 1.248 100 M CA -0.589 54.638 55.300 -0.122 0.000 0.821 100 M CB 1.674 34.317 32.600 0.072 0.000 1.650 100 M HN 0.610 nan 8.290 nan 0.000 0.479 101 G N 0.413 108.899 108.800 -0.523 0.000 2.795 101 G HA2 -0.246 3.717 3.960 0.005 0.000 0.664 101 G HA3 -0.246 3.717 3.960 0.005 0.000 0.664 101 G C -0.600 173.818 174.900 -0.803 0.000 1.381 101 G CA 0.290 45.119 45.100 -0.452 0.000 0.853 101 G HN 1.921 nan 8.290 nan 0.000 0.545 102 Y N -1.154 118.814 120.300 -0.554 0.000 2.616 102 Y HA 0.390 4.943 4.550 0.005 0.000 0.296 102 Y C 1.711 177.268 175.900 -0.571 0.000 1.154 102 Y CA 1.618 59.406 58.100 -0.520 0.000 1.325 102 Y CB 0.138 38.446 38.460 -0.254 0.000 1.007 102 Y HN 0.549 nan 8.280 nan 0.000 0.542 103 E N -0.656 118.959 120.200 -0.975 0.000 2.501 103 E HA 0.078 4.430 4.350 0.005 0.000 0.200 103 E C -0.832 175.440 176.600 -0.547 0.000 1.016 103 E CA -0.300 55.655 56.400 -0.742 0.000 0.921 103 E CB -0.190 29.102 29.700 -0.681 0.000 1.034 103 E HN 0.531 nan 8.360 nan 0.000 0.468 104 W N 2.011 123.180 121.300 -0.218 0.000 6.544 104 W HA -0.246 4.416 4.660 0.004 0.000 0.423 104 W C 0.157 176.547 176.519 -0.214 0.000 1.688 104 W CA 0.267 57.497 57.345 -0.191 0.000 1.082 104 W CB -1.975 27.361 29.460 -0.208 0.000 2.917 104 W HN 0.054 nan 8.180 nan 0.000 1.481 105 S N -0.423 115.151 115.700 -0.210 0.000 2.600 105 S HA 0.891 5.364 4.470 0.005 0.000 0.300 105 S C -0.352 174.116 174.600 -0.220 0.000 1.087 105 S CA -0.376 57.688 58.200 -0.226 0.000 0.965 105 S CB 2.636 65.650 63.200 -0.310 0.000 1.089 105 S HN 0.645 nan 8.310 nan 0.000 0.496 106 S N 0.380 115.900 115.700 -0.299 0.000 2.570 106 S HA 0.465 4.938 4.470 0.005 0.000 0.286 106 S C -0.618 173.760 174.600 -0.370 0.000 1.143 106 S CA -0.696 57.274 58.200 -0.383 0.000 0.921 106 S CB 0.244 63.143 63.200 -0.501 0.000 1.108 106 S HN 0.563 nan 8.310 nan 0.000 0.456 107 F N 2.866 122.732 119.950 -0.141 0.000 2.451 107 F HA 0.181 4.711 4.527 0.004 0.000 0.299 107 F C 2.408 178.186 175.800 -0.038 0.000 1.101 107 F CA 1.222 59.164 58.000 -0.096 0.000 1.436 107 F CB -0.207 38.624 39.000 -0.282 0.000 1.074 107 F HN 0.753 nan 8.300 nan 0.000 0.553 108 G N -1.180 107.520 108.800 -0.166 0.000 2.848 108 G HA2 -0.084 3.879 3.960 0.005 0.000 0.208 108 G HA3 -0.084 3.879 3.960 0.005 0.000 0.208 108 G C 0.291 175.177 174.900 -0.023 0.000 1.152 108 G CA -0.062 45.007 45.100 -0.053 0.000 0.789 108 G HN 0.087 nan 8.290 nan 0.000 0.531 109 D N 0.664 121.017 120.400 -0.078 0.000 2.357 109 D HA 0.436 5.078 4.640 0.005 0.000 0.242 109 D C 0.790 176.968 176.300 -0.203 0.000 1.153 109 D CA -0.062 53.885 54.000 -0.089 0.000 0.918 109 D CB 1.176 41.986 40.800 0.018 0.000 1.181 109 D HN 0.189 nan 8.370 nan 0.000 0.435 110 A N 1.845 124.331 122.820 -0.556 0.000 2.565 110 A HA -0.027 4.295 4.320 0.005 0.000 0.237 110 A C 0.373 177.834 177.584 -0.206 0.000 1.053 110 A CA 0.162 51.737 52.037 -0.771 0.000 0.755 110 A CB 0.094 18.582 19.000 -0.854 0.000 0.980 110 A HN 0.344 nan 8.150 nan 0.000 0.506 111 Q N 1.804 121.504 119.800 -0.167 0.000 2.936 111 Q HA 0.222 4.565 4.340 0.005 0.000 0.383 111 Q C -0.212 175.752 176.000 -0.059 0.000 1.167 111 Q CA 0.110 55.877 55.803 -0.061 0.000 1.038 111 Q CB -0.045 28.645 28.738 -0.080 0.000 1.409 111 Q HN 0.834 nan 8.270 nan 0.000 0.448 112 S N -1.509 114.191 115.700 -0.000 0.000 2.709 112 S HA 0.684 5.157 4.470 0.005 0.000 0.302 112 S C -0.147 174.463 174.600 0.016 0.000 1.127 112 S CA -0.798 57.402 58.200 0.000 0.000 0.905 112 S CB 1.964 65.145 63.200 -0.032 0.000 1.151 112 S HN 0.037 nan 8.310 nan 0.000 0.510 113 S N 1.210 116.870 115.700 -0.065 0.000 2.437 113 S HA 0.847 5.319 4.470 0.005 0.000 0.305 113 S C -1.022 173.479 174.600 -0.165 0.000 1.109 113 S CA -0.672 57.399 58.200 -0.215 0.000 1.099 113 S CB -0.150 62.927 63.200 -0.205 0.000 1.004 113 S HN 0.660 nan 8.310 nan 0.000 0.475 114 F N 0.028 119.827 119.950 -0.252 0.000 2.693 114 F HA 0.694 5.224 4.527 0.005 0.000 0.309 114 F C -1.414 174.298 175.800 -0.146 0.000 1.129 114 F CA -1.728 56.084 58.000 -0.313 0.000 0.948 114 F CB 0.356 39.169 39.000 -0.312 0.000 1.315 114 F HN 0.258 nan 8.300 nan 0.000 0.447 115 F N 1.944 121.999 119.950 0.176 0.000 2.450 115 F HA 0.703 5.233 4.527 0.005 0.000 0.339 115 F C 0.674 176.632 175.800 0.263 0.000 1.146 115 F CA -0.146 57.951 58.000 0.161 0.000 1.267 115 F CB 0.924 40.049 39.000 0.208 0.000 1.178 115 F HN 0.915 nan 8.300 nan 0.000 0.585 116 A N 1.506 124.569 122.820 0.404 0.000 2.602 116 A HA 0.486 4.809 4.320 0.005 0.000 0.290 116 A C -1.743 175.995 177.584 0.256 0.000 1.114 116 A CA -0.820 51.419 52.037 0.336 0.000 0.683 116 A CB 0.145 19.311 19.000 0.277 0.000 1.281 116 A HN 0.557 nan 8.150 nan 0.000 0.416 117 Y N 1.992 122.364 120.300 0.119 0.000 2.895 117 Y HA 0.048 4.601 4.550 0.005 0.000 0.334 117 Y C 0.065 175.960 175.900 -0.009 0.000 1.261 117 Y CA 0.567 58.704 58.100 0.061 0.000 1.560 117 Y CB 0.312 38.798 38.460 0.043 0.000 1.253 117 Y HN 0.537 nan 8.280 nan 0.000 0.582 118 N N 4.800 123.141 118.700 -0.597 0.000 2.420 118 N HA 0.062 4.805 4.740 0.005 0.000 0.249 118 N C 0.371 175.514 175.510 -0.612 0.000 1.033 118 N CA -0.021 52.730 53.050 -0.498 0.000 0.944 118 N CB 1.649 39.844 38.487 -0.487 0.000 1.113 118 N HN 0.654 nan 8.380 nan 0.000 0.502 119 S N 1.676 117.183 115.700 -0.321 0.000 2.481 119 S HA 0.025 4.498 4.470 0.005 0.000 0.231 119 S C 0.600 175.108 174.600 -0.152 0.000 0.996 119 S CA 1.030 59.125 58.200 -0.175 0.000 0.942 119 S CB 0.341 63.523 63.200 -0.030 0.000 0.768 119 S HN 0.494 nan 8.310 nan 0.000 0.520 120 K N -0.208 120.075 120.400 -0.195 0.000 2.439 120 K HA 0.389 4.712 4.320 0.005 0.000 0.260 120 K C -0.949 175.554 176.600 -0.161 0.000 1.032 120 K CA -1.002 55.192 56.287 -0.155 0.000 0.882 120 K CB 1.090 33.432 32.500 -0.263 0.000 1.420 120 K HN 0.166 nan 8.250 nan 0.000 0.455 121 Y N -0.686 119.567 120.300 -0.077 0.000 2.335 121 Y HA 0.284 4.837 4.550 0.005 0.000 0.348 121 Y C -0.186 175.669 175.900 -0.076 0.000 1.280 121 Y CA -0.419 57.639 58.100 -0.070 0.000 1.504 121 Y CB 0.428 38.872 38.460 -0.026 0.000 1.366 121 Y HN 0.354 nan 8.280 nan 0.000 0.621 122 D N 0.869 121.293 120.400 0.039 0.000 2.505 122 D HA 0.368 5.011 4.640 0.005 0.000 0.250 122 D C 0.232 176.615 176.300 0.138 0.000 1.164 122 D CA -0.320 53.643 54.000 -0.061 0.000 0.870 122 D CB 1.634 42.377 40.800 -0.096 0.000 1.160 122 D HN 0.845 nan 8.370 nan 0.000 0.549 123 A N 2.696 125.631 122.820 0.192 0.000 2.121 123 A HA -0.101 4.222 4.320 0.005 0.000 0.218 123 A C 1.958 179.611 177.584 0.115 0.000 1.154 123 A CA 1.520 53.706 52.037 0.249 0.000 0.679 123 A CB -0.357 18.831 19.000 0.314 0.000 0.795 123 A HN 0.582 nan 8.150 nan 0.000 0.458 124 S N -1.647 114.086 115.700 0.056 0.000 2.474 124 S HA 0.241 4.714 4.470 0.005 0.000 0.235 124 S C 1.656 176.276 174.600 0.034 0.000 0.997 124 S CA 1.348 59.568 58.200 0.033 0.000 0.949 124 S CB -0.523 62.682 63.200 0.008 0.000 0.766 124 S HN 1.879 nan 8.310 nan 0.000 0.517 125 G N 0.582 109.404 108.800 0.038 0.000 2.195 125 G HA2 -0.238 3.725 3.960 0.005 0.000 0.246 125 G HA3 -0.238 3.725 3.960 0.005 0.000 0.246 125 G C 1.031 175.944 174.900 0.021 0.000 0.984 125 G CA 0.326 45.444 45.100 0.031 0.000 0.633 125 G HN 1.262 nan 8.290 nan 0.000 0.525 126 A N -0.059 122.768 122.820 0.012 0.000 1.972 126 A HA 0.360 4.683 4.320 0.005 0.000 0.219 126 A C 2.140 179.728 177.584 0.007 0.000 1.169 126 A CA 1.701 53.746 52.037 0.014 0.000 0.635 126 A CB -0.246 18.761 19.000 0.011 0.000 0.810 126 A HN 0.873 nan 8.150 nan 0.000 0.446 127 L N -0.411 120.789 121.223 -0.038 0.000 2.611 127 L HA 0.042 4.385 4.340 0.005 0.000 0.229 127 L C 0.883 177.753 176.870 0.000 0.000 1.137 127 L CA -0.127 54.665 54.840 -0.081 0.000 0.901 127 L CB -0.209 41.698 42.059 -0.252 0.000 1.098 127 L HN 0.180 nan 8.230 nan 0.000 0.456 128 D N 0.695 121.109 120.400 0.024 0.000 2.182 128 D HA -0.146 4.496 4.640 0.005 0.000 0.201 128 D C 1.277 177.612 176.300 0.058 0.000 0.986 128 D CA 1.260 55.282 54.000 0.037 0.000 0.847 128 D CB 0.049 40.869 40.800 0.033 0.000 0.942 128 D HN 0.242 nan 8.370 nan 0.000 0.467 129 N N -0.533 118.209 118.700 0.071 0.000 2.282 129 N HA -0.033 4.710 4.740 0.005 0.000 0.240 129 N C -0.519 175.046 175.510 0.092 0.000 1.182 129 N CA -0.301 52.792 53.050 0.072 0.000 0.874 129 N CB 0.631 39.148 38.487 0.048 0.000 1.126 129 N HN 0.190 nan 8.380 nan 0.000 0.516 130 Y N 2.144 122.410 120.300 -0.056 0.000 2.442 130 Y HA 0.222 4.774 4.550 0.005 0.000 0.330 130 Y C -0.359 175.497 175.900 -0.073 0.000 1.129 130 Y CA -0.107 57.925 58.100 -0.112 0.000 1.365 130 Y CB 0.222 38.575 38.460 -0.179 0.000 1.233 130 Y HN -0.016 nan 8.280 nan 0.000 0.529 131 N N 3.604 122.163 118.700 -0.235 0.000 2.425 131 N HA 0.594 5.337 4.740 0.005 0.000 0.289 131 N C -1.114 174.252 175.510 -0.240 0.000 1.074 131 N CA -0.279 52.706 53.050 -0.108 0.000 0.905 131 N CB 1.631 40.125 38.487 0.012 0.000 1.586 131 N HN 0.904 nan 8.380 nan 0.000 0.490 132 G N 1.690 110.429 108.800 -0.102 0.000 2.537 132 G HA2 0.714 4.677 3.960 0.005 0.000 0.308 132 G HA3 0.714 4.677 3.960 0.005 0.000 0.308 132 G C -1.253 173.729 174.900 0.137 0.000 1.237 132 G CA -0.423 44.646 45.100 -0.052 0.000 0.968 132 G HN 0.455 nan 8.290 nan 0.000 0.481 133 I N 0.419 121.119 120.570 0.218 0.000 2.545 133 I HA 0.662 4.835 4.170 0.005 0.000 0.292 133 I C 0.011 176.274 176.117 0.243 0.000 1.040 133 I CA -0.879 60.568 61.300 0.246 0.000 1.068 133 I CB 1.348 39.505 38.000 0.262 0.000 1.251 133 I HN 0.680 nan 8.210 nan 0.000 0.424 134 A N 5.655 128.606 122.820 0.218 0.000 2.454 134 A HA 0.908 5.230 4.320 0.005 0.000 0.302 134 A C -1.372 176.323 177.584 0.184 0.000 1.079 134 A CA -0.554 51.606 52.037 0.205 0.000 0.731 134 A CB 2.163 21.280 19.000 0.196 0.000 1.299 134 A HN 0.377 nan 8.150 nan 0.000 0.413 135 V N 1.323 121.341 119.914 0.173 0.000 2.623 135 V HA 0.717 4.840 4.120 0.005 0.000 0.304 135 V C -0.129 176.041 176.094 0.127 0.000 1.054 135 V CA -0.076 62.309 62.300 0.143 0.000 0.882 135 V CB 2.010 33.912 31.823 0.132 0.000 1.002 135 V HN 1.246 nan 8.190 nan 0.000 0.424 136 T N 1.275 115.884 114.554 0.092 0.000 2.893 136 T HA 0.741 5.094 4.350 0.005 0.000 0.291 136 T C -1.411 173.340 174.700 0.085 0.000 1.028 136 T CA -0.740 61.370 62.100 0.018 0.000 0.995 136 T CB 2.101 70.938 68.868 -0.051 0.000 1.051 136 T HN 0.576 nan 8.240 nan 0.000 0.470 137 Y N 1.420 121.625 120.300 -0.158 0.000 2.322 137 Y HA 0.592 5.145 4.550 0.005 0.000 0.324 137 Y C -1.064 174.743 175.900 -0.154 0.000 1.027 137 Y CA -1.484 56.548 58.100 -0.114 0.000 1.179 137 Y CB 1.866 40.288 38.460 -0.063 0.000 1.136 137 Y HN 0.811 nan 8.280 nan 0.000 0.449 138 S N 7.859 123.363 115.700 -0.326 0.000 2.474 138 S HA 0.411 4.884 4.470 0.005 0.000 0.320 138 S C -0.106 174.185 174.600 -0.515 0.000 1.067 138 S CA -0.597 57.373 58.200 -0.382 0.000 1.127 138 S CB 0.160 63.238 63.200 -0.203 0.000 0.971 138 S HN 0.662 nan 8.310 nan 0.000 0.472 139 I N 3.143 123.345 120.570 -0.615 0.000 2.886 139 I HA 0.326 4.499 4.170 0.005 0.000 0.311 139 I C -0.177 175.808 176.117 -0.220 0.000 1.287 139 I CA 0.122 61.124 61.300 -0.497 0.000 0.995 139 I CB -0.561 36.989 38.000 -0.750 0.000 1.962 139 I HN 0.613 nan 8.210 nan 0.000 0.586 140 S N 3.959 119.564 115.700 -0.159 0.000 3.441 140 S HA -0.120 4.353 4.470 0.005 0.000 0.521 140 S C 1.264 175.827 174.600 -0.062 0.000 0.703 140 S CA 1.222 59.366 58.200 -0.093 0.000 1.346 140 S CB -1.156 62.010 63.200 -0.056 0.000 1.241 140 S HN 1.849 nan 8.310 nan 0.000 0.764 141 G N 2.310 111.049 108.800 -0.102 0.000 2.396 141 G HA2 -0.298 3.665 3.960 0.005 0.000 0.242 141 G HA3 -0.298 3.665 3.960 0.005 0.000 0.242 141 G C 0.289 175.130 174.900 -0.097 0.000 1.069 141 G CA 0.238 45.245 45.100 -0.154 0.000 0.633 141 G HN 1.755 nan 8.290 nan 0.000 0.517 142 V N 2.145 122.058 119.914 -0.001 0.000 2.481 142 V HA 0.625 4.748 4.120 0.005 0.000 0.286 142 V C -0.272 175.754 176.094 -0.114 0.000 1.042 142 V CA -0.909 61.411 62.300 0.033 0.000 0.928 142 V CB 1.693 33.556 31.823 0.066 0.000 0.986 142 V HN 0.407 nan 8.190 nan 0.000 0.462 143 N N 4.040 122.685 118.700 -0.091 0.000 2.295 143 N HA 0.521 5.264 4.740 0.005 0.000 0.293 143 N C -1.609 173.742 175.510 -0.265 0.000 1.040 143 N CA -0.579 52.316 53.050 -0.258 0.000 0.840 143 N CB 2.623 40.960 38.487 -0.250 0.000 1.468 143 N HN 0.338 nan 8.380 nan 0.000 0.478 144 L N 2.498 123.502 121.223 -0.364 0.000 2.334 144 L HA 0.558 4.901 4.340 0.005 0.000 0.276 144 L C -1.055 175.580 176.870 -0.391 0.000 1.014 144 L CA -0.506 54.225 54.840 -0.182 0.000 0.815 144 L CB 0.875 42.940 42.059 0.010 0.000 1.268 144 L HN 0.495 nan 8.230 nan 0.000 0.428 145 Y N 3.148 123.495 120.300 0.078 0.000 2.457 145 Y HA 0.632 5.185 4.550 0.004 0.000 0.343 145 Y C -0.507 175.427 175.900 0.057 0.000 0.994 145 Y CA -0.764 57.377 58.100 0.069 0.000 1.031 145 Y CB 1.920 40.409 38.460 0.048 0.000 1.246 145 Y HN 0.300 nan 8.280 nan 0.000 0.449 146 L N 3.102 124.449 121.223 0.206 0.000 2.408 146 L HA 0.833 5.175 4.340 0.005 0.000 0.268 146 L C -0.723 176.217 176.870 0.116 0.000 0.986 146 L CA -0.375 54.533 54.840 0.114 0.000 0.820 146 L CB 2.358 44.526 42.059 0.183 0.000 1.303 146 L HN 0.779 nan 8.230 nan 0.000 0.411 147 S N 1.447 117.152 115.700 0.008 0.000 2.546 147 S HA 0.683 5.156 4.470 0.005 0.000 0.274 147 S C -1.497 173.225 174.600 0.203 0.000 1.121 147 S CA -0.771 57.507 58.200 0.130 0.000 0.887 147 S CB 1.841 65.116 63.200 0.124 0.000 1.094 147 S HN 0.486 nan 8.310 nan 0.000 0.474 148 Y N 1.615 122.014 120.300 0.166 0.000 2.346 148 Y HA 0.672 5.225 4.550 0.005 0.000 0.332 148 Y C -1.856 174.109 175.900 0.108 0.000 0.985 148 Y CA -0.805 57.429 58.100 0.224 0.000 1.112 148 Y CB 1.465 40.094 38.460 0.281 0.000 1.170 148 Y HN 0.712 nan 8.280 nan 0.000 0.447 149 V N 6.071 125.691 119.914 -0.489 0.000 2.487 149 V HA 0.300 4.422 4.120 0.005 0.000 0.298 149 V C -1.056 174.618 176.094 -0.701 0.000 1.028 149 V CA -0.749 61.218 62.300 -0.556 0.000 0.860 149 V CB 1.660 33.263 31.823 -0.366 0.000 0.991 149 V HN 0.758 nan 8.190 nan 0.000 0.427 150 D N 7.044 127.040 120.400 -0.672 0.000 2.349 150 D HA 0.396 5.038 4.640 0.005 0.000 0.232 150 D C -1.666 174.399 176.300 -0.391 0.000 1.071 150 D CA -2.158 51.596 54.000 -0.411 0.000 0.832 150 D CB 2.642 43.306 40.800 -0.227 0.000 1.086 150 D HN 0.219 nan 8.370 nan 0.000 0.504 151 P HA 0.038 nan 4.420 nan 0.000 0.233 151 P C -0.166 177.117 177.300 -0.029 0.000 1.167 151 P CA 0.629 63.630 63.100 -0.165 0.000 0.770 151 P CB 0.536 32.256 31.700 0.034 0.000 0.837 152 D N -0.036 120.347 120.400 -0.028 0.000 2.411 152 D HA 0.026 4.669 4.640 0.005 0.000 0.239 152 D C 1.009 177.314 176.300 0.008 0.000 1.307 152 D CA -0.169 53.838 54.000 0.011 0.000 0.930 152 D CB 0.575 41.393 40.800 0.030 0.000 1.395 152 D HN -0.015 nan 8.370 nan 0.000 0.536 153 Q N 0.726 120.529 119.800 0.005 0.000 2.437 153 Q HA -0.101 4.242 4.340 0.005 0.000 0.210 153 Q C 1.032 177.051 176.000 0.032 0.000 0.972 153 Q CA 1.674 57.490 55.803 0.022 0.000 0.903 153 Q CB -0.122 28.631 28.738 0.026 0.000 0.967 153 Q HN 0.302 nan 8.270 nan 0.000 0.486 154 T N -2.674 111.898 114.554 0.030 0.000 3.054 154 T HA 0.180 4.533 4.350 0.005 0.000 0.259 154 T C 0.762 175.479 174.700 0.028 0.000 1.092 154 T CA -0.037 62.080 62.100 0.029 0.000 1.121 154 T CB 0.026 68.910 68.868 0.027 0.000 0.912 154 T HN 0.065 nan 8.240 nan 0.000 0.489 155 V N 2.674 122.605 119.914 0.029 0.000 2.686 155 V HA 0.207 4.330 4.120 0.005 0.000 0.295 155 V C 0.554 176.666 176.094 0.031 0.000 1.057 155 V CA -1.154 61.163 62.300 0.028 0.000 1.012 155 V CB 1.345 33.185 31.823 0.028 0.000 1.006 155 V HN 0.486 nan 8.190 nan 0.000 0.477 156 D N 2.367 122.784 120.400 0.029 0.000 2.648 156 D HA -0.105 4.537 4.640 0.005 0.000 0.229 156 D C 1.311 177.634 176.300 0.038 0.000 1.119 156 D CA 0.667 54.686 54.000 0.031 0.000 0.850 156 D CB 0.998 41.813 40.800 0.026 0.000 1.169 156 D HN 0.636 nan 8.370 nan 0.000 0.489 157 S N 2.076 117.803 115.700 0.045 0.000 2.402 157 S HA -0.208 4.265 4.470 0.005 0.000 0.233 157 S C 1.904 176.538 174.600 0.056 0.000 1.030 157 S CA 1.836 60.072 58.200 0.060 0.000 1.003 157 S CB -0.023 63.215 63.200 0.064 0.000 0.813 157 S HN 0.623 nan 8.310 nan 0.000 0.477 158 S N 0.175 115.901 115.700 0.043 0.000 2.603 158 S HA 0.217 4.690 4.470 0.005 0.000 0.220 158 S C 1.342 175.963 174.600 0.036 0.000 0.967 158 S CA 0.093 58.316 58.200 0.039 0.000 0.920 158 S CB -0.297 62.921 63.200 0.030 0.000 0.773 158 S HN 0.526 nan 8.310 nan 0.000 0.529 159 L N 1.705 122.949 121.223 0.036 0.000 2.592 159 L HA 0.335 4.678 4.340 0.005 0.000 0.227 159 L C 0.325 177.216 176.870 0.036 0.000 1.127 159 L CA -0.284 54.576 54.840 0.032 0.000 0.884 159 L CB 0.366 42.442 42.059 0.028 0.000 1.065 159 L HN 0.369 nan 8.230 nan 0.000 0.457 160 V N -5.356 114.583 119.914 0.042 0.000 3.001 160 V HA 0.558 4.681 4.120 0.005 0.000 0.314 160 V C -0.154 175.971 176.094 0.052 0.000 1.099 160 V CA -0.571 61.756 62.300 0.045 0.000 0.989 160 V CB 1.661 33.509 31.823 0.042 0.000 1.040 160 V HN -0.104 nan 8.190 nan 0.000 0.434 161 T N 2.681 117.269 114.554 0.056 0.000 2.744 161 T HA 0.549 4.902 4.350 0.005 0.000 0.291 161 T C -0.378 174.364 174.700 0.070 0.000 0.957 161 T CA -0.025 62.111 62.100 0.060 0.000 1.002 161 T CB 0.767 69.665 68.868 0.049 0.000 0.919 161 T HN 0.882 nan 8.240 nan 0.000 0.468 162 E N 1.886 122.127 120.200 0.069 0.000 2.248 162 E HA 0.353 4.706 4.350 0.005 0.000 0.272 162 E C -0.117 176.526 176.600 0.072 0.000 1.008 162 E CA -0.677 55.733 56.400 0.017 0.000 0.856 162 E CB 1.217 30.916 29.700 -0.002 0.000 1.120 162 E HN 0.579 nan 8.360 nan 0.000 0.397 163 E N 2.373 122.611 120.200 0.062 0.000 2.156 163 E HA 0.279 4.632 4.350 0.005 0.000 0.279 163 E C -1.455 175.264 176.600 0.199 0.000 0.965 163 E CA -0.573 55.899 56.400 0.121 0.000 0.789 163 E CB 0.662 30.467 29.700 0.175 0.000 1.098 163 E HN 0.346 nan 8.360 nan 0.000 0.397 164 F N 3.410 123.418 119.950 0.097 0.000 2.467 164 F HA 0.661 5.191 4.527 0.005 0.000 0.336 164 F C -0.361 175.514 175.800 0.124 0.000 1.123 164 F CA -0.402 57.701 58.000 0.171 0.000 0.964 164 F CB 1.770 40.897 39.000 0.213 0.000 1.136 164 F HN 0.451 nan 8.300 nan 0.000 0.447 165 G N 6.135 114.488 108.800 -0.745 0.000 2.524 165 G HA2 0.672 4.635 3.960 0.005 0.000 0.310 165 G HA3 0.672 4.635 3.960 0.005 0.000 0.310 165 G C -2.159 172.378 174.900 -0.605 0.000 1.279 165 G CA -0.821 43.988 45.100 -0.485 0.000 0.974 165 G HN 0.886 nan 8.290 nan 0.000 0.484 166 I N 0.290 120.742 120.570 -0.196 0.000 2.802 166 I HA 0.826 4.999 4.170 0.005 0.000 0.298 166 I C -0.726 175.470 176.117 0.131 0.000 1.176 166 I CA -0.836 60.453 61.300 -0.019 0.000 1.025 166 I CB 2.205 40.246 38.000 0.067 0.000 1.243 166 I HN 0.919 nan 8.210 nan 0.000 0.424 167 A N 4.885 127.821 122.820 0.193 0.000 2.612 167 A HA 0.985 5.308 4.320 0.005 0.000 0.293 167 A C -1.817 175.965 177.584 0.331 0.000 1.075 167 A CA -0.088 52.089 52.037 0.233 0.000 0.680 167 A CB 1.649 20.729 19.000 0.134 0.000 1.279 167 A HN 1.378 nan 8.150 nan 0.000 0.411 168 A N 0.781 123.763 122.820 0.270 0.000 2.574 168 A HA 0.839 5.162 4.320 0.005 0.000 0.297 168 A C -1.527 176.195 177.584 0.231 0.000 1.062 168 A CA 0.073 52.262 52.037 0.252 0.000 0.686 168 A CB 1.472 20.561 19.000 0.150 0.000 1.285 168 A HN 1.514 nan 8.150 nan 0.000 0.403 169 D N -0.971 119.574 120.400 0.242 0.000 2.552 169 D HA 0.683 5.325 4.640 0.005 0.000 0.239 169 D C -0.938 175.499 176.300 0.229 0.000 1.139 169 D CA -0.318 53.808 54.000 0.211 0.000 0.914 169 D CB 1.167 42.080 40.800 0.188 0.000 1.461 169 D HN 0.821 nan 8.370 nan 0.000 0.462 170 W N 0.795 122.107 121.300 0.020 0.000 3.425 170 W HA 0.614 5.276 4.660 0.004 0.000 0.318 170 W C -1.931 174.590 176.519 0.004 0.000 1.201 170 W CA -0.460 56.883 57.345 -0.002 0.000 1.212 170 W CB 1.947 31.401 29.460 -0.011 0.000 1.355 170 W HN 0.545 nan 8.180 nan 0.000 0.515 171 S N 3.761 118.672 115.700 -1.315 0.000 2.556 171 S HA 0.634 5.106 4.470 0.005 0.000 0.271 171 S C -0.825 172.969 174.600 -1.344 0.000 1.135 171 S CA -0.536 56.956 58.200 -1.179 0.000 0.858 171 S CB 0.990 63.895 63.200 -0.492 0.000 1.114 171 S HN 0.727 nan 8.310 nan 0.000 0.468 172 N N 1.498 119.650 118.700 -0.913 0.000 3.470 172 N HA 0.449 5.191 4.740 0.005 0.000 0.361 172 N C -0.093 175.261 175.510 -0.260 0.000 1.536 172 N CA -0.349 52.430 53.050 -0.452 0.000 0.642 172 N CB -0.654 37.697 38.487 -0.226 0.000 2.002 172 N HN 0.449 nan 8.380 nan 0.000 0.620 173 D N -0.922 119.391 120.400 -0.145 0.000 2.234 173 D HA 0.134 4.777 4.640 0.005 0.000 0.205 173 D C 1.246 177.474 176.300 -0.119 0.000 0.962 173 D CA 1.353 55.281 54.000 -0.121 0.000 0.855 173 D CB 0.061 40.811 40.800 -0.082 0.000 0.951 173 D HN 0.386 nan 8.370 nan 0.000 0.500 174 M N -0.693 118.857 119.600 -0.082 0.000 2.740 174 M HA 0.259 4.742 4.480 0.005 0.000 0.253 174 M C 0.028 176.337 176.300 0.016 0.000 1.341 174 M CA 0.257 55.513 55.300 -0.073 0.000 1.176 174 M CB 1.337 33.954 32.600 0.028 0.000 1.310 174 M HN -0.177 nan 8.290 nan 0.000 0.531 175 I N -0.185 120.432 120.570 0.078 0.000 2.562 175 I HA 0.353 4.526 4.170 0.005 0.000 0.301 175 I C -0.653 175.474 176.117 0.017 0.000 1.003 175 I CA -0.457 60.941 61.300 0.163 0.000 1.127 175 I CB 2.179 40.353 38.000 0.290 0.000 1.304 175 I HN -0.064 nan 8.210 nan 0.000 0.446 176 S N 5.791 121.539 115.700 0.081 0.000 2.541 176 S HA 0.745 5.217 4.470 0.005 0.000 0.280 176 S C -0.821 173.874 174.600 0.159 0.000 1.112 176 S CA -0.725 57.503 58.200 0.047 0.000 0.925 176 S CB 1.782 64.984 63.200 0.002 0.000 1.067 176 S HN 0.327 nan 8.310 nan 0.000 0.479 177 L N 1.641 123.000 121.223 0.227 0.000 2.370 177 L HA 0.983 5.326 4.340 0.005 0.000 0.266 177 L C -0.384 176.557 176.870 0.119 0.000 1.002 177 L CA -0.770 54.172 54.840 0.170 0.000 0.818 177 L CB 2.021 44.208 42.059 0.212 0.000 1.325 177 L HN 0.839 nan 8.230 nan 0.000 0.418 178 A N 1.758 124.570 122.820 -0.014 0.000 2.589 178 A HA 0.970 5.292 4.320 0.005 0.000 0.296 178 A C -1.570 175.841 177.584 -0.289 0.000 1.062 178 A CA -0.179 51.839 52.037 -0.033 0.000 0.686 178 A CB 1.999 21.062 19.000 0.105 0.000 1.282 178 A HN 0.878 nan 8.150 nan 0.000 0.404 179 A N -0.047 122.688 122.820 -0.142 0.000 2.594 179 A HA 1.055 5.378 4.320 0.005 0.000 0.295 179 A C -0.554 177.074 177.584 0.073 0.000 1.071 179 A CA 0.033 51.964 52.037 -0.177 0.000 0.685 179 A CB 1.294 20.247 19.000 -0.079 0.000 1.285 179 A HN 2.707 nan 8.150 nan 0.000 0.405 180 A N 0.123 123.051 122.820 0.181 0.000 2.594 180 A HA 0.788 5.111 4.320 0.005 0.000 0.295 180 A C -1.842 176.003 177.584 0.434 0.000 1.071 180 A CA -0.375 51.832 52.037 0.284 0.000 0.685 180 A CB 1.213 20.337 19.000 0.208 0.000 1.285 180 A HN 2.040 nan 8.150 nan 0.000 0.405 181 Y N 0.299 120.740 120.300 0.236 0.000 2.479 181 Y HA 0.666 5.219 4.550 0.005 0.000 0.338 181 Y C -0.820 175.144 175.900 0.107 0.000 1.055 181 Y CA -0.152 58.063 58.100 0.191 0.000 1.023 181 Y CB 2.336 40.887 38.460 0.151 0.000 1.287 181 Y HN 0.698 nan 8.280 nan 0.000 0.447 182 T N 4.126 118.343 114.554 -0.561 0.000 2.928 182 T HA 0.407 4.760 4.350 0.005 0.000 0.296 182 T C -0.801 173.562 174.700 -0.561 0.000 1.000 182 T CA -0.773 61.061 62.100 -0.444 0.000 0.989 182 T CB 1.110 69.748 68.868 -0.384 0.000 1.005 182 T HN 0.673 nan 8.240 nan 0.000 0.442 183 T N 0.064 114.460 114.554 -0.264 0.000 2.867 183 T HA 0.493 4.845 4.350 0.005 0.000 0.282 183 T C -0.284 174.378 174.700 -0.062 0.000 1.000 183 T CA -0.715 61.300 62.100 -0.141 0.000 1.042 183 T CB 0.641 69.561 68.868 0.086 0.000 0.973 183 T HN 0.579 nan 8.240 nan 0.000 0.465 184 D N 0.107 120.462 120.400 -0.076 0.000 2.689 184 D HA -0.141 4.501 4.640 0.005 0.000 0.237 184 D C 0.476 176.694 176.300 -0.136 0.000 1.148 184 D CA 0.963 54.922 54.000 -0.068 0.000 0.656 184 D CB -1.597 39.201 40.800 -0.002 0.000 1.050 184 D HN 1.137 nan 8.370 nan 0.000 0.426 185 A N -0.263 122.433 122.820 -0.206 0.000 2.546 185 A HA 0.446 4.769 4.320 0.005 0.000 0.243 185 A C 1.809 179.152 177.584 -0.403 0.000 1.063 185 A CA 1.129 52.997 52.037 -0.282 0.000 0.757 185 A CB 0.233 19.050 19.000 -0.305 0.000 0.991 185 A HN 1.277 nan 8.150 nan 0.000 0.503 186 G N 1.237 109.559 108.800 -0.797 0.000 2.162 186 G HA2 0.143 4.105 3.960 0.005 0.000 0.260 186 G HA3 0.143 4.105 3.960 0.005 0.000 0.260 186 G C 1.629 175.999 174.900 -0.883 0.000 0.976 186 G CA 0.944 45.293 45.100 -1.250 0.000 0.655 186 G HN 2.853 nan 8.290 nan 0.000 0.533 187 G N -1.178 107.337 108.800 -0.476 0.000 2.160 187 G HA2 -0.220 3.743 3.960 0.005 0.000 0.251 187 G HA3 -0.220 3.743 3.960 0.005 0.000 0.251 187 G C 0.217 175.083 174.900 -0.057 0.000 1.008 187 G CA 0.490 45.565 45.100 -0.042 0.000 0.724 187 G HN 1.407 nan 8.290 nan 0.000 0.514 188 I N 1.085 121.583 120.570 -0.119 0.000 2.312 188 I HA 0.315 4.488 4.170 0.005 0.000 0.290 188 I C 1.004 177.088 176.117 -0.056 0.000 1.008 188 I CA -1.147 60.106 61.300 -0.079 0.000 1.226 188 I CB 1.669 39.605 38.000 -0.106 0.000 1.371 188 I HN -0.088 nan 8.210 nan 0.000 0.468 189 V N 6.701 126.600 119.914 -0.025 0.000 2.720 189 V HA -0.092 4.031 4.120 0.005 0.000 0.307 189 V C 0.741 176.824 176.094 -0.017 0.000 1.071 189 V CA 0.687 62.981 62.300 -0.010 0.000 1.199 189 V CB 0.070 31.895 31.823 0.003 0.000 0.900 189 V HN 0.928 nan 8.190 nan 0.000 0.494 190 D N 1.895 122.289 120.400 -0.010 0.000 3.079 190 D HA -0.182 4.461 4.640 0.005 0.000 0.214 190 D C 0.513 176.795 176.300 -0.029 0.000 1.145 190 D CA 1.264 55.261 54.000 -0.006 0.000 0.958 190 D CB -1.045 39.758 40.800 0.005 0.000 1.117 190 D HN 0.780 nan 8.370 nan 0.000 0.416 191 N N 1.903 120.566 118.700 -0.062 0.000 2.895 191 N HA 0.061 4.804 4.740 0.005 0.000 0.277 191 N C -1.296 174.132 175.510 -0.136 0.000 1.185 191 N CA 0.117 53.109 53.050 -0.097 0.000 1.106 191 N CB 0.185 38.599 38.487 -0.122 0.000 1.422 191 N HN -0.034 nan 8.380 nan 0.000 0.521 192 D N 2.801 123.135 120.400 -0.111 0.000 2.274 192 D HA 0.259 4.902 4.640 0.005 0.000 0.239 192 D C 0.570 176.753 176.300 -0.195 0.000 1.104 192 D CA -0.217 53.675 54.000 -0.180 0.000 0.840 192 D CB 1.279 42.044 40.800 -0.058 0.000 1.100 192 D HN 0.514 nan 8.370 nan 0.000 0.477 193 I N -1.702 118.653 120.570 -0.358 0.000 2.846 193 I HA 0.907 5.080 4.170 0.005 0.000 0.307 193 I C -0.892 175.157 176.117 -0.114 0.000 1.053 193 I CA -1.103 60.031 61.300 -0.276 0.000 1.050 193 I CB 2.332 40.026 38.000 -0.509 0.000 1.239 193 I HN 0.316 nan 8.210 nan 0.000 0.439 194 A N 3.204 126.122 122.820 0.164 0.000 2.606 194 A HA 0.839 5.162 4.320 0.005 0.000 0.293 194 A C -1.808 176.068 177.584 0.486 0.000 1.082 194 A CA -0.426 51.873 52.037 0.435 0.000 0.685 194 A CB 1.789 21.101 19.000 0.519 0.000 1.284 194 A HN 0.851 nan 8.150 nan 0.000 0.408 195 F N 1.049 121.163 119.950 0.274 0.000 2.591 195 F HA 0.748 5.278 4.527 0.005 0.000 0.309 195 F C -1.721 174.122 175.800 0.072 0.000 1.098 195 F CA -0.913 57.084 58.000 -0.005 0.000 0.937 195 F CB 1.998 40.870 39.000 -0.212 0.000 1.250 195 F HN 0.494 nan 8.300 nan 0.000 0.447 196 V N 4.360 123.954 119.914 -0.533 0.000 2.733 196 V HA 0.886 5.009 4.120 0.005 0.000 0.306 196 V C -0.263 175.356 176.094 -0.791 0.000 1.084 196 V CA -0.272 61.628 62.300 -0.666 0.000 0.905 196 V CB 1.478 33.224 31.823 -0.127 0.000 1.010 196 V HN 1.188 nan 8.190 nan 0.000 0.424 197 G N 2.301 110.600 108.800 -0.834 0.000 2.672 197 G HA2 0.963 4.925 3.960 0.005 0.000 0.292 197 G HA3 0.963 4.925 3.960 0.005 0.000 0.292 197 G C -1.292 173.555 174.900 -0.087 0.000 1.375 197 G CA -0.174 44.756 45.100 -0.283 0.000 0.890 197 G HN 1.268 nan 8.290 nan 0.000 0.476 198 A N -1.025 121.822 122.820 0.046 0.000 2.594 198 A HA 1.030 5.353 4.320 0.005 0.000 0.295 198 A C -0.643 177.007 177.584 0.111 0.000 1.071 198 A CA 0.009 52.091 52.037 0.075 0.000 0.685 198 A CB 1.564 20.590 19.000 0.043 0.000 1.285 198 A HN 2.409 nan 8.150 nan 0.000 0.405 199 A N 0.110 123.007 122.820 0.129 0.000 2.572 199 A HA 0.747 5.070 4.320 0.005 0.000 0.295 199 A C -1.967 175.736 177.584 0.198 0.000 1.072 199 A CA -0.398 51.716 52.037 0.128 0.000 0.691 199 A CB 1.317 20.404 19.000 0.144 0.000 1.291 199 A HN 1.846 nan 8.150 nan 0.000 0.404 200 Y N 1.261 121.587 120.300 0.043 0.000 2.346 200 Y HA 0.483 5.035 4.550 0.003 0.000 0.332 200 Y C -0.393 175.568 175.900 0.102 0.000 0.985 200 Y CA -0.955 57.187 58.100 0.071 0.000 1.112 200 Y CB 1.767 40.275 38.460 0.080 0.000 1.170 200 Y HN 0.584 nan 8.280 nan 0.000 0.447 201 K N 7.848 128.012 120.400 -0.394 0.000 2.150 201 K HA 0.100 4.423 4.320 0.005 0.000 0.261 201 K C 0.018 176.236 176.600 -0.638 0.000 1.127 201 K CA -0.263 55.790 56.287 -0.389 0.000 0.989 201 K CB -0.305 32.022 32.500 -0.288 0.000 1.475 201 K HN 0.702 nan 8.250 nan 0.000 0.391 202 F N 0.480 120.096 119.950 -0.555 0.000 2.733 202 F HA 0.194 4.723 4.527 0.003 0.000 0.301 202 F C -0.080 175.621 175.800 -0.165 0.000 1.240 202 F CA -0.264 57.491 58.000 -0.409 0.000 1.432 202 F CB -0.207 38.792 39.000 -0.002 0.000 1.089 202 F HN 0.291 nan 8.300 nan 0.000 0.533 203 N N 0.088 118.514 118.700 -0.455 0.000 3.428 203 N HA 0.004 4.747 4.740 0.005 0.000 0.332 203 N C -0.325 174.991 175.510 -0.323 0.000 1.452 203 N CA 0.347 53.191 53.050 -0.342 0.000 0.865 203 N CB 0.199 38.418 38.487 -0.446 0.000 1.871 203 N HN 0.049 nan 8.380 nan 0.000 0.474 204 D N -0.452 119.783 120.400 -0.276 0.000 2.346 204 D HA 0.317 4.960 4.640 0.005 0.000 0.206 204 D C 1.022 177.132 176.300 -0.317 0.000 1.001 204 D CA 0.649 54.504 54.000 -0.242 0.000 0.871 204 D CB 0.095 40.789 40.800 -0.177 0.000 0.943 204 D HN 0.455 nan 8.370 nan 0.000 0.518 205 A N 0.042 122.591 122.820 -0.451 0.000 2.127 205 A HA 0.578 4.901 4.320 0.005 0.000 0.204 205 A C 1.284 178.365 177.584 -0.839 0.000 1.243 205 A CA 0.461 52.096 52.037 -0.670 0.000 0.887 205 A CB 0.227 18.683 19.000 -0.906 0.000 0.933 205 A HN 0.264 nan 8.150 nan 0.000 0.479 206 G N -1.205 107.111 108.800 -0.806 0.000 2.498 206 G HA2 0.518 4.481 3.960 0.005 0.000 0.312 206 G HA3 0.518 4.481 3.960 0.005 0.000 0.312 206 G C -0.763 173.844 174.900 -0.487 0.000 1.230 206 G CA 0.195 44.891 45.100 -0.673 0.000 0.968 206 G HN 0.521 nan 8.290 nan 0.000 0.481 207 T N -1.711 112.802 114.554 -0.068 0.000 2.933 207 T HA 0.633 4.986 4.350 0.005 0.000 0.305 207 T C -0.931 173.901 174.700 0.220 0.000 1.092 207 T CA -0.285 61.862 62.100 0.079 0.000 1.008 207 T CB 1.478 70.355 68.868 0.016 0.000 1.102 207 T HN 1.605 nan 8.240 nan 0.000 0.469 208 V N 0.873 120.895 119.914 0.179 0.000 2.709 208 V HA 1.058 5.181 4.120 0.005 0.000 0.308 208 V C 0.039 176.013 176.094 -0.200 0.000 1.062 208 V CA -0.166 62.132 62.300 -0.004 0.000 0.901 208 V CB 1.275 33.128 31.823 0.051 0.000 1.003 208 V HN 1.390 nan 8.190 nan 0.000 0.425 209 G N 2.389 110.810 108.800 -0.631 0.000 2.695 209 G HA2 0.753 4.716 3.960 0.005 0.000 0.290 209 G HA3 0.753 4.716 3.960 0.005 0.000 0.290 209 G C -2.139 172.581 174.900 -0.299 0.000 1.410 209 G CA -0.901 43.889 45.100 -0.517 0.000 0.844 209 G HN 1.301 nan 8.290 nan 0.000 0.478 210 L N 0.593 121.835 121.223 0.032 0.000 2.476 210 L HA 0.626 4.969 4.340 0.005 0.000 0.269 210 L C -1.544 175.467 176.870 0.234 0.000 0.965 210 L CA -0.786 54.148 54.840 0.156 0.000 0.845 210 L CB 2.062 44.174 42.059 0.088 0.000 1.259 210 L HN 0.433 nan 8.230 nan 0.000 0.403 211 N N 3.742 122.623 118.700 0.302 0.000 2.321 211 N HA 0.461 5.204 4.740 0.005 0.000 0.299 211 N C -1.905 173.685 175.510 0.133 0.000 1.048 211 N CA -0.235 52.959 53.050 0.241 0.000 0.836 211 N CB 2.090 40.757 38.487 0.299 0.000 1.269 211 N HN 0.673 nan 8.380 nan 0.000 0.486 212 W N 3.220 124.403 121.300 -0.194 0.000 2.702 212 W HA 0.545 5.208 4.660 0.005 0.000 0.331 212 W C -1.624 174.702 176.519 -0.322 0.000 1.049 212 W CA -0.509 56.748 57.345 -0.146 0.000 1.230 212 W CB 0.683 30.098 29.460 -0.076 0.000 1.408 212 W HN 0.396 nan 8.180 nan 0.000 0.492 213 Y N 3.870 123.626 120.300 -0.908 0.000 2.545 213 Y HA 0.282 4.835 4.550 0.005 0.000 0.348 213 Y C -0.328 174.792 175.900 -1.301 0.000 1.002 213 Y CA -1.045 56.545 58.100 -0.849 0.000 1.039 213 Y CB 1.858 40.143 38.460 -0.292 0.000 1.271 213 Y HN 0.286 nan 8.280 nan 0.000 0.467 214 D N 1.286 121.259 120.400 -0.712 0.000 2.392 214 D HA 0.161 4.804 4.640 0.005 0.000 0.228 214 D C -0.407 175.826 176.300 -0.111 0.000 1.074 214 D CA -0.222 53.586 54.000 -0.319 0.000 0.838 214 D CB 0.678 41.433 40.800 -0.075 0.000 1.067 214 D HN 0.567 nan 8.370 nan 0.000 0.511 215 N N 2.843 121.485 118.700 -0.097 0.000 2.362 215 N HA 0.126 4.869 4.740 0.005 0.000 0.204 215 N C 1.316 176.772 175.510 -0.090 0.000 1.166 215 N CA 0.439 53.434 53.050 -0.092 0.000 0.831 215 N CB 0.544 38.972 38.487 -0.098 0.000 1.008 215 N HN 0.761 nan 8.380 nan 0.000 0.472 216 G N 1.668 110.425 108.800 -0.072 0.000 2.651 216 G HA2 -0.341 3.622 3.960 0.005 0.000 0.315 216 G HA3 -0.341 3.622 3.960 0.005 0.000 0.315 216 G C 0.706 175.575 174.900 -0.051 0.000 1.258 216 G CA 0.302 45.363 45.100 -0.064 0.000 1.002 216 G HN 0.331 nan 8.290 nan 0.000 0.551 217 L N 1.629 122.816 121.223 -0.061 0.000 2.599 217 L HA 0.267 4.610 4.340 0.005 0.000 0.230 217 L C 1.960 178.797 176.870 -0.054 0.000 1.141 217 L CA 0.637 55.448 54.840 -0.048 0.000 0.877 217 L CB -0.301 41.729 42.059 -0.048 0.000 1.009 217 L HN 0.533 nan 8.230 nan 0.000 0.447 218 S N 0.092 115.753 115.700 -0.066 0.000 2.566 218 S HA -0.062 4.411 4.470 0.005 0.000 0.280 218 S C 1.619 176.181 174.600 -0.062 0.000 1.343 218 S CA 0.214 58.373 58.200 -0.068 0.000 1.036 218 S CB 0.908 64.060 63.200 -0.079 0.000 0.866 218 S HN 0.451 nan 8.310 nan 0.000 0.526 219 T N 1.839 116.356 114.554 -0.061 0.000 3.113 219 T HA 0.096 4.449 4.350 0.005 0.000 0.263 219 T C 1.664 176.316 174.700 -0.080 0.000 1.143 219 T CA 0.742 62.807 62.100 -0.057 0.000 1.090 219 T CB -0.435 68.404 68.868 -0.048 0.000 0.922 219 T HN 0.715 nan 8.240 nan 0.000 0.521 220 A N 1.280 124.034 122.820 -0.109 0.000 2.014 220 A HA 0.519 4.842 4.320 0.005 0.000 0.218 220 A C 1.787 179.293 177.584 -0.131 0.000 1.163 220 A CA 0.854 52.790 52.037 -0.168 0.000 0.652 220 A CB -1.284 17.580 19.000 -0.226 0.000 0.808 220 A HN 1.362 nan 8.150 nan 0.000 0.449 221 G N -0.427 108.322 108.800 -0.086 0.000 2.645 221 G HA2 -0.173 3.789 3.960 0.005 0.000 0.239 221 G HA3 -0.173 3.789 3.960 0.005 0.000 0.239 221 G C -0.811 174.055 174.900 -0.057 0.000 1.331 221 G CA -0.058 45.013 45.100 -0.049 0.000 0.890 221 G HN 0.424 nan 8.290 nan 0.000 0.572 222 D N 0.789 121.180 120.400 -0.015 0.000 2.368 222 D HA 0.507 5.149 4.640 0.005 0.000 0.240 222 D C 0.786 177.068 176.300 -0.030 0.000 1.169 222 D CA 0.825 54.806 54.000 -0.033 0.000 0.906 222 D CB 0.996 41.874 40.800 0.130 0.000 1.187 222 D HN 0.747 nan 8.370 nan 0.000 0.435 223 Q N -0.054 119.700 119.800 -0.077 0.000 2.377 223 Q HA 0.605 4.947 4.340 0.005 0.000 0.279 223 Q C -2.175 173.905 176.000 0.132 0.000 1.049 223 Q CA -0.812 55.020 55.803 0.050 0.000 0.825 223 Q CB 2.351 31.127 28.738 0.064 0.000 1.401 223 Q HN 0.293 nan 8.270 nan 0.000 0.404 224 V N 2.166 122.224 119.914 0.240 0.000 2.709 224 V HA 0.737 4.860 4.120 0.005 0.000 0.308 224 V C -1.508 174.778 176.094 0.321 0.000 1.062 224 V CA -0.050 62.426 62.300 0.295 0.000 0.901 224 V CB 2.474 34.483 31.823 0.310 0.000 1.003 224 V HN 0.917 nan 8.190 nan 0.000 0.425 225 T N 7.343 122.100 114.554 0.339 0.000 2.841 225 T HA 0.566 4.919 4.350 0.005 0.000 0.285 225 T C -1.108 173.818 174.700 0.378 0.000 0.991 225 T CA -0.225 62.099 62.100 0.374 0.000 0.966 225 T CB 1.285 70.375 68.868 0.371 0.000 0.962 225 T HN 0.688 nan 8.240 nan 0.000 0.438 226 L N 5.527 126.969 121.223 0.366 0.000 2.313 226 L HA 0.793 5.136 4.340 0.005 0.000 0.283 226 L C -1.301 175.799 176.870 0.384 0.000 1.013 226 L CA -0.543 54.471 54.840 0.290 0.000 0.816 226 L CB 0.507 42.680 42.059 0.190 0.000 1.236 226 L HN 0.724 nan 8.230 nan 0.000 0.419 227 Y N 2.630 123.063 120.300 0.222 0.000 2.644 227 Y HA 1.011 5.564 4.550 0.005 0.000 0.338 227 Y C -0.371 175.656 175.900 0.212 0.000 1.119 227 Y CA -0.861 57.388 58.100 0.248 0.000 1.060 227 Y CB 1.449 40.062 38.460 0.254 0.000 1.294 227 Y HN 0.770 nan 8.280 nan 0.000 0.472 228 G N 1.048 110.038 108.800 0.318 0.000 2.677 228 G HA2 0.540 4.503 3.960 0.005 0.000 0.291 228 G HA3 0.540 4.503 3.960 0.005 0.000 0.291 228 G C -2.366 172.724 174.900 0.316 0.000 1.435 228 G CA -1.296 43.942 45.100 0.230 0.000 0.826 228 G HN 1.168 nan 8.290 nan 0.000 0.491 229 N N -1.119 117.748 118.700 0.279 0.000 2.484 229 N HA 0.523 5.266 4.740 0.005 0.000 0.269 229 N C -2.264 173.362 175.510 0.193 0.000 1.237 229 N CA -0.724 52.466 53.050 0.233 0.000 0.838 229 N CB 2.940 41.548 38.487 0.202 0.000 1.593 229 N HN 0.516 nan 8.380 nan 0.000 0.485 230 Y N 0.262 120.529 120.300 -0.056 0.000 2.441 230 Y HA 0.582 5.134 4.550 0.004 0.000 0.334 230 Y C -1.460 174.215 175.900 -0.376 0.000 1.061 230 Y CA -0.514 57.432 58.100 -0.257 0.000 1.032 230 Y CB 1.956 40.244 38.460 -0.286 0.000 1.266 230 Y HN 0.894 nan 8.280 nan 0.000 0.441 231 A N 5.358 127.727 122.820 -0.751 0.000 2.276 231 A HA 0.681 5.004 4.320 0.005 0.000 0.316 231 A C -1.807 175.446 177.584 -0.551 0.000 1.229 231 A CA -0.353 51.398 52.037 -0.476 0.000 0.851 231 A CB -0.091 18.717 19.000 -0.321 0.000 1.165 231 A HN 0.582 nan 8.150 nan 0.000 0.513 232 F N 3.027 122.967 119.950 -0.015 0.000 2.366 232 F HA 0.514 5.043 4.527 0.004 0.000 0.357 232 F C 1.281 177.100 175.800 0.032 0.000 1.107 232 F CA 0.425 58.452 58.000 0.044 0.000 1.208 232 F CB 0.738 39.816 39.000 0.130 0.000 1.464 232 F HN 1.117 nan 8.300 nan 0.000 0.501 233 G N 1.972 110.846 108.800 0.123 0.000 2.543 233 G HA2 -0.303 3.660 3.960 0.005 0.000 0.286 233 G HA3 -0.303 3.660 3.960 0.005 0.000 0.286 233 G C 1.140 176.072 174.900 0.052 0.000 1.153 233 G CA 0.291 45.440 45.100 0.083 0.000 0.968 233 G HN 0.864 nan 8.290 nan 0.000 0.544 234 A N -0.459 122.404 122.820 0.071 0.000 2.218 234 A HA 0.556 4.879 4.320 0.005 0.000 0.209 234 A C 1.247 178.858 177.584 0.045 0.000 1.168 234 A CA 2.000 54.016 52.037 -0.037 0.000 0.804 234 A CB -0.070 18.802 19.000 -0.215 0.000 0.834 234 A HN 1.137 nan 8.150 nan 0.000 0.482 235 T N 1.177 115.866 114.554 0.224 0.000 2.799 235 T HA 0.490 4.843 4.350 0.005 0.000 0.286 235 T C -0.363 174.486 174.700 0.248 0.000 0.973 235 T CA 0.036 62.327 62.100 0.317 0.000 1.035 235 T CB 1.350 70.456 68.868 0.397 0.000 0.932 235 T HN 0.134 nan 8.240 nan 0.000 0.469 236 T N 2.727 117.406 114.554 0.209 0.000 2.829 236 T HA 0.558 4.911 4.350 0.005 0.000 0.280 236 T C -0.413 174.412 174.700 0.209 0.000 0.999 236 T CA -0.525 61.664 62.100 0.149 0.000 0.983 236 T CB 1.423 70.351 68.868 0.101 0.000 0.968 236 T HN 0.302 nan 8.240 nan 0.000 0.446 237 V N 4.152 124.194 119.914 0.213 0.000 2.513 237 V HA 0.595 4.718 4.120 0.005 0.000 0.299 237 V C -0.064 176.160 176.094 0.217 0.000 1.035 237 V CA -0.767 61.679 62.300 0.244 0.000 0.889 237 V CB 1.763 33.786 31.823 0.334 0.000 0.988 237 V HN 0.727 nan 8.190 nan 0.000 0.440 238 R N 2.486 123.113 120.500 0.211 0.000 2.807 238 R HA 0.920 5.263 4.340 0.005 0.000 0.276 238 R C -0.946 175.491 176.300 0.230 0.000 0.979 238 R CA -0.593 55.649 56.100 0.237 0.000 0.928 238 R CB 2.402 32.851 30.300 0.249 0.000 1.191 238 R HN 0.814 nan 8.270 nan 0.000 0.471 239 A N 1.403 124.387 122.820 0.273 0.000 2.609 239 A HA 0.752 5.075 4.320 0.005 0.000 0.291 239 A C -1.914 175.888 177.584 0.363 0.000 1.096 239 A CA -0.738 51.437 52.037 0.230 0.000 0.684 239 A CB 1.482 20.577 19.000 0.159 0.000 1.282 239 A HN 0.768 nan 8.150 nan 0.000 0.412 240 Y N -1.795 118.644 120.300 0.231 0.000 2.656 240 Y HA 0.734 5.287 4.550 0.004 0.000 0.334 240 Y C -1.068 174.978 175.900 0.242 0.000 1.179 240 Y CA -1.259 56.996 58.100 0.259 0.000 1.050 240 Y CB 1.042 39.661 38.460 0.266 0.000 1.308 240 Y HN 1.288 nan 8.280 nan 0.000 0.456 241 V N -0.609 119.560 119.914 0.425 0.000 2.841 241 V HA 0.905 5.028 4.120 0.005 0.000 0.310 241 V C -0.743 175.626 176.094 0.458 0.000 1.090 241 V CA -0.516 61.983 62.300 0.332 0.000 0.930 241 V CB 1.230 33.182 31.823 0.214 0.000 1.014 241 V HN 1.069 nan 8.190 nan 0.000 0.425 242 S N 1.361 117.324 115.700 0.438 0.000 2.540 242 S HA 0.656 5.129 4.470 0.005 0.000 0.275 242 S C -1.823 173.073 174.600 0.494 0.000 1.123 242 S CA -0.555 57.925 58.200 0.467 0.000 0.907 242 S CB 1.949 65.472 63.200 0.537 0.000 1.081 242 S HN 0.958 nan 8.310 nan 0.000 0.476 243 D N 2.968 123.626 120.400 0.429 0.000 2.646 243 D HA 0.523 5.166 4.640 0.005 0.000 0.245 243 D C -0.349 176.063 176.300 0.186 0.000 1.099 243 D CA -0.271 53.931 54.000 0.337 0.000 0.849 243 D CB 1.813 42.746 40.800 0.221 0.000 1.448 243 D HN 0.683 nan 8.370 nan 0.000 0.489 244 I N -1.988 118.587 120.570 0.008 0.000 2.910 244 I HA 0.440 4.613 4.170 0.005 0.000 0.310 244 I C 0.300 176.380 176.117 -0.062 0.000 1.043 244 I CA -0.771 60.434 61.300 -0.158 0.000 1.053 244 I CB 1.830 39.513 38.000 -0.529 0.000 1.242 244 I HN -0.048 nan 8.210 nan 0.000 0.452 245 D N 1.088 121.460 120.400 -0.048 0.000 2.317 245 D HA -0.015 4.628 4.640 0.005 0.000 0.211 245 D C 0.875 177.157 176.300 -0.029 0.000 0.966 245 D CA 0.620 54.614 54.000 -0.010 0.000 0.876 245 D CB 0.027 40.834 40.800 0.011 0.000 0.927 245 D HN 0.449 nan 8.370 nan 0.000 0.519 246 R N 0.940 121.397 120.500 -0.072 0.000 2.537 246 R HA 0.122 4.464 4.340 0.005 0.000 0.281 246 R C -0.163 176.123 176.300 -0.024 0.000 0.988 246 R CA -0.179 55.888 56.100 -0.056 0.000 1.077 246 R CB 0.381 30.629 30.300 -0.086 0.000 0.932 246 R HN -0.089 nan 8.270 nan 0.000 0.409 247 A N 3.325 126.138 122.820 -0.011 0.000 2.548 247 A HA 0.300 4.623 4.320 0.005 0.000 0.247 247 A C 1.340 178.927 177.584 0.006 0.000 1.067 247 A CA 0.714 52.752 52.037 0.002 0.000 0.757 247 A CB -0.283 18.718 19.000 0.002 0.000 0.996 247 A HN 1.121 nan 8.150 nan 0.000 0.504 248 G N 1.082 109.891 108.800 0.016 0.000 2.179 248 G HA2 0.116 4.079 3.960 0.005 0.000 0.260 248 G HA3 0.116 4.079 3.960 0.005 0.000 0.260 248 G C 0.655 175.575 174.900 0.034 0.000 0.977 248 G CA 0.511 45.625 45.100 0.022 0.000 0.641 248 G HN 2.240 nan 8.290 nan 0.000 0.533 249 A N 0.221 123.062 122.820 0.037 0.000 2.483 249 A HA 0.497 4.820 4.320 0.005 0.000 0.238 249 A C 0.494 178.143 177.584 0.108 0.000 1.070 249 A CA 0.462 52.543 52.037 0.073 0.000 0.770 249 A CB 0.315 19.344 19.000 0.048 0.000 1.008 249 A HN 0.325 nan 8.150 nan 0.000 0.497 250 D N 0.674 121.151 120.400 0.128 0.000 2.358 250 D HA 0.280 4.922 4.640 0.005 0.000 0.244 250 D C 0.131 176.547 176.300 0.194 0.000 1.163 250 D CA 0.454 54.525 54.000 0.118 0.000 0.945 250 D CB 0.613 41.446 40.800 0.055 0.000 1.152 250 D HN 0.465 nan 8.370 nan 0.000 0.451 251 T N 0.731 115.388 114.554 0.170 0.000 2.851 251 T HA 0.436 4.788 4.350 0.005 0.000 0.298 251 T C 0.149 174.927 174.700 0.131 0.000 0.977 251 T CA -0.452 61.774 62.100 0.210 0.000 1.126 251 T CB 0.804 69.786 68.868 0.191 0.000 0.916 251 T HN 0.369 nan 8.240 nan 0.000 0.529 252 A N 3.606 126.429 122.820 0.006 0.000 2.304 252 A HA 0.785 5.108 4.320 0.005 0.000 0.301 252 A C -0.773 176.826 177.584 0.024 0.000 1.132 252 A CA -0.672 51.187 52.037 -0.296 0.000 0.819 252 A CB 0.308 18.809 19.000 -0.831 0.000 1.094 252 A HN 0.913 nan 8.150 nan 0.000 0.492 253 Y N -1.594 118.598 120.300 -0.179 0.000 2.638 253 Y HA 0.783 5.336 4.550 0.005 0.000 0.335 253 Y C -0.177 175.351 175.900 -0.620 0.000 1.155 253 Y CA -0.774 57.078 58.100 -0.413 0.000 1.046 253 Y CB 0.861 39.187 38.460 -0.223 0.000 1.303 253 Y HN 1.146 nan 8.280 nan 0.000 0.460 254 G N 1.299 109.611 108.800 -0.813 0.000 2.720 254 G HA2 0.575 4.538 3.960 0.005 0.000 0.295 254 G HA3 0.575 4.538 3.960 0.005 0.000 0.295 254 G C -2.499 172.301 174.900 -0.166 0.000 1.437 254 G CA -0.875 43.939 45.100 -0.477 0.000 0.886 254 G HN 0.991 nan 8.290 nan 0.000 0.509 255 I N 0.949 121.521 120.570 0.004 0.000 2.569 255 I HA 0.795 4.968 4.170 0.005 0.000 0.290 255 I C -0.082 176.083 176.117 0.080 0.000 1.088 255 I CA -0.532 60.808 61.300 0.068 0.000 1.047 255 I CB 1.935 39.981 38.000 0.077 0.000 1.237 255 I HN 0.902 nan 8.210 nan 0.000 0.421 256 G N 4.810 113.675 108.800 0.107 0.000 2.721 256 G HA2 0.873 4.836 3.960 0.005 0.000 0.296 256 G HA3 0.873 4.836 3.960 0.005 0.000 0.296 256 G C -2.081 172.889 174.900 0.117 0.000 1.383 256 G CA -0.301 44.852 45.100 0.088 0.000 0.788 256 G HN 0.916 nan 8.290 nan 0.000 0.500 257 A N -0.233 122.649 122.820 0.102 0.000 2.594 257 A HA 0.764 5.087 4.320 0.005 0.000 0.295 257 A C -1.968 175.699 177.584 0.139 0.000 1.071 257 A CA -0.679 51.444 52.037 0.143 0.000 0.685 257 A CB 1.953 21.041 19.000 0.145 0.000 1.285 257 A HN 0.488 nan 8.150 nan 0.000 0.405 258 D N 0.131 120.643 120.400 0.187 0.000 2.457 258 D HA 0.510 5.153 4.640 0.005 0.000 0.240 258 D C -1.703 174.755 176.300 0.263 0.000 1.041 258 D CA 0.193 54.316 54.000 0.206 0.000 0.861 258 D CB 2.114 43.048 40.800 0.224 0.000 1.394 258 D HN 0.452 nan 8.370 nan 0.000 0.473 259 Y N 1.057 121.424 120.300 0.111 0.000 2.338 259 Y HA 0.238 4.790 4.550 0.004 0.000 0.333 259 Y C -0.623 175.358 175.900 0.135 0.000 0.968 259 Y CA -0.876 57.294 58.100 0.118 0.000 1.123 259 Y CB 1.650 40.175 38.460 0.110 0.000 1.165 259 Y HN 0.096 nan 8.280 nan 0.000 0.452 260 Q N 5.922 125.460 119.800 -0.438 0.000 2.472 260 Q HA 0.163 4.506 4.340 0.005 0.000 0.227 260 Q C 0.125 175.845 176.000 -0.467 0.000 1.156 260 Q CA 0.158 55.780 55.803 -0.301 0.000 0.924 260 Q CB -0.219 28.397 28.738 -0.203 0.000 1.354 260 Q HN 0.824 nan 8.270 nan 0.000 0.525 261 F N 2.386 122.131 119.950 -0.341 0.000 2.186 261 F HA 0.184 4.714 4.527 0.005 0.000 0.299 261 F C 0.306 176.056 175.800 -0.083 0.000 1.090 261 F CA 1.062 58.975 58.000 -0.145 0.000 1.307 261 F CB 0.334 39.378 39.000 0.073 0.000 1.019 261 F HN 0.522 nan 8.300 nan 0.000 0.489 262 A N -0.610 122.166 122.820 -0.073 0.000 2.540 262 A HA 0.299 4.622 4.320 0.005 0.000 0.291 262 A C -0.872 176.697 177.584 -0.025 0.000 1.083 262 A CA -0.707 51.253 52.037 -0.128 0.000 0.650 262 A CB 0.008 18.928 19.000 -0.133 0.000 1.292 262 A HN 0.121 nan 8.150 nan 0.000 0.435 263 E N 0.006 120.190 120.200 -0.027 0.000 2.465 263 E HA 0.344 4.697 4.350 0.005 0.000 0.260 263 E C 1.262 177.888 176.600 0.044 0.000 0.980 263 E CA 1.386 57.784 56.400 -0.003 0.000 0.927 263 E CB 0.122 29.819 29.700 -0.006 0.000 0.934 263 E HN 2.145 nan 8.360 nan 0.000 0.459 264 G N 2.739 111.565 108.800 0.042 0.000 2.189 264 G HA2 -0.267 3.695 3.960 0.005 0.000 0.267 264 G HA3 -0.267 3.695 3.960 0.005 0.000 0.267 264 G C -0.032 174.950 174.900 0.138 0.000 0.975 264 G CA 0.327 45.473 45.100 0.076 0.000 0.644 264 G HN 0.498 nan 8.290 nan 0.000 0.537 265 V N 0.568 120.573 119.914 0.152 0.000 2.407 265 V HA 0.665 4.788 4.120 0.005 0.000 0.291 265 V C 0.052 176.253 176.094 0.178 0.000 1.018 265 V CA -0.408 62.023 62.300 0.218 0.000 0.842 265 V CB 1.772 33.790 31.823 0.324 0.000 0.996 265 V HN 0.464 nan 8.190 nan 0.000 0.426 266 K N 4.213 124.699 120.400 0.145 0.000 2.426 266 K HA 0.749 5.072 4.320 0.005 0.000 0.254 266 K C -1.572 175.100 176.600 0.120 0.000 0.936 266 K CA -0.517 55.850 56.287 0.132 0.000 0.801 266 K CB 2.225 34.802 32.500 0.129 0.000 1.139 266 K HN 0.418 nan 8.250 nan 0.000 0.424 267 V N 3.293 123.294 119.914 0.145 0.000 2.394 267 V HA 0.457 4.580 4.120 0.005 0.000 0.282 267 V C -0.584 175.569 176.094 0.098 0.000 1.031 267 V CA -0.450 61.900 62.300 0.083 0.000 0.881 267 V CB 1.319 33.208 31.823 0.108 0.000 0.982 267 V HN 0.872 nan 8.190 nan 0.000 0.451 268 S N 2.268 117.987 115.700 0.032 0.000 2.595 268 S HA 0.941 5.414 4.470 0.005 0.000 0.281 268 S C -0.013 174.581 174.600 -0.009 0.000 1.117 268 S CA -0.498 57.713 58.200 0.019 0.000 0.873 268 S CB 2.232 65.384 63.200 -0.079 0.000 1.108 268 S HN 1.148 nan 8.310 nan 0.000 0.477 269 G N 0.532 109.324 108.800 -0.012 0.000 2.698 269 G HA2 0.723 4.686 3.960 0.005 0.000 0.293 269 G HA3 0.723 4.686 3.960 0.005 0.000 0.293 269 G C -1.248 173.646 174.900 -0.010 0.000 1.437 269 G CA -0.480 44.620 45.100 -0.000 0.000 0.852 269 G HN 1.129 nan 8.290 nan 0.000 0.499 270 S N -1.648 114.051 115.700 -0.001 0.000 2.588 270 S HA 0.780 5.252 4.470 0.005 0.000 0.269 270 S C -1.690 172.923 174.600 0.023 0.000 1.157 270 S CA -0.761 57.443 58.200 0.007 0.000 0.824 270 S CB 1.951 65.140 63.200 -0.018 0.000 1.126 270 S HN 1.205 nan 8.310 nan 0.000 0.464 271 V N 1.709 121.642 119.914 0.032 0.000 2.577 271 V HA 0.606 4.729 4.120 0.005 0.000 0.303 271 V C -0.829 175.276 176.094 0.018 0.000 1.042 271 V CA -0.328 61.995 62.300 0.039 0.000 0.872 271 V CB 1.469 33.319 31.823 0.045 0.000 0.998 271 V HN 0.950 nan 8.190 nan 0.000 0.423 272 Q N 1.828 121.637 119.800 0.015 0.000 2.421 272 Q HA 0.710 5.053 4.340 0.005 0.000 0.280 272 Q C -1.063 174.894 176.000 -0.071 0.000 1.085 272 Q CA -0.645 55.145 55.803 -0.021 0.000 0.807 272 Q CB 2.783 31.593 28.738 0.120 0.000 1.405 272 Q HN 0.640 nan 8.270 nan 0.000 0.419 273 S N -0.124 115.365 115.700 -0.352 0.000 2.594 273 S HA 0.723 5.196 4.470 0.005 0.000 0.296 273 S C -0.460 173.701 174.600 -0.731 0.000 1.124 273 S CA -0.416 57.466 58.200 -0.530 0.000 1.011 273 S CB 1.070 63.693 63.200 -0.962 0.000 1.016 273 S HN 0.728 nan 8.310 nan 0.000 0.485 274 G N 2.164 110.355 108.800 -1.015 0.000 2.543 274 G HA2 0.460 4.423 3.960 0.005 0.000 0.290 274 G HA3 0.460 4.423 3.960 0.005 0.000 0.290 274 G C 0.155 174.489 174.900 -0.943 0.000 1.310 274 G CA -0.549 43.479 45.100 -1.786 0.000 1.025 274 G HN 0.687 nan 8.290 nan 0.000 0.502 275 F N 0.053 119.673 119.950 -0.550 0.000 2.502 275 F HA 0.171 4.701 4.527 0.005 0.000 0.298 275 F C 2.355 178.055 175.800 -0.168 0.000 1.111 275 F CA 0.955 58.815 58.000 -0.234 0.000 1.445 275 F CB 0.150 39.070 39.000 -0.133 0.000 1.081 275 F HN 0.351 nan 8.300 nan 0.000 0.558 276 A N -0.483 122.301 122.820 -0.060 0.000 2.713 276 A HA 0.330 4.653 4.320 0.005 0.000 0.296 276 A C 0.882 178.418 177.584 -0.081 0.000 1.255 276 A CA -0.079 51.935 52.037 -0.038 0.000 0.955 276 A CB -0.678 18.311 19.000 -0.018 0.000 1.149 276 A HN 0.242 nan 8.150 nan 0.000 0.538 277 N N -0.046 118.577 118.700 -0.128 0.000 2.778 277 N HA -0.162 4.581 4.740 0.005 0.000 0.249 277 N C -0.513 174.921 175.510 -0.127 0.000 1.069 277 N CA 1.451 54.431 53.050 -0.117 0.000 0.831 277 N CB -1.360 37.099 38.487 -0.047 0.000 1.142 277 N HN 0.742 nan 8.380 nan 0.000 0.573 278 E N -0.263 119.838 120.200 -0.166 0.000 2.413 278 E HA 0.207 4.560 4.350 0.005 0.000 0.263 278 E C 0.031 176.585 176.600 -0.078 0.000 1.015 278 E CA 0.525 56.868 56.400 -0.096 0.000 0.916 278 E CB 0.480 30.152 29.700 -0.046 0.000 0.947 278 E HN 0.123 nan 8.360 nan 0.000 0.440 279 T N 2.033 116.575 114.554 -0.020 0.000 2.779 279 T HA 0.518 4.871 4.350 0.005 0.000 0.280 279 T C -0.641 174.099 174.700 0.067 0.000 0.987 279 T CA -0.865 61.255 62.100 0.034 0.000 0.966 279 T CB 0.724 69.643 68.868 0.084 0.000 0.933 279 T HN 0.356 nan 8.240 nan 0.000 0.442 280 V N 0.101 120.086 119.914 0.117 0.000 2.876 280 V HA 1.069 5.192 4.120 0.005 0.000 0.312 280 V C -0.654 175.536 176.094 0.160 0.000 1.085 280 V CA -1.196 61.169 62.300 0.109 0.000 0.945 280 V CB 1.464 33.315 31.823 0.047 0.000 1.017 280 V HN 1.119 nan 8.190 nan 0.000 0.428 281 A N 2.940 125.891 122.820 0.218 0.000 2.587 281 A HA 1.001 5.324 4.320 0.005 0.000 0.293 281 A C -1.459 176.202 177.584 0.129 0.000 1.087 281 A CA -0.033 52.096 52.037 0.153 0.000 0.692 281 A CB 2.053 21.136 19.000 0.138 0.000 1.291 281 A HN 1.650 nan 8.150 nan 0.000 0.407 282 D N -1.294 119.159 120.400 0.089 0.000 2.623 282 D HA 0.572 5.215 4.640 0.005 0.000 0.241 282 D C -1.602 174.772 176.300 0.124 0.000 1.241 282 D CA -0.558 53.531 54.000 0.149 0.000 0.788 282 D CB 1.621 42.507 40.800 0.143 0.000 1.413 282 D HN 1.186 nan 8.370 nan 0.000 0.429 283 V N -0.118 119.859 119.914 0.105 0.000 2.752 283 V HA 0.888 5.011 4.120 0.005 0.000 0.302 283 V C -0.554 175.315 176.094 -0.375 0.000 1.133 283 V CA 0.576 62.845 62.300 -0.051 0.000 0.919 283 V CB 1.039 32.828 31.823 -0.057 0.000 1.026 283 V HN 1.294 nan 8.190 nan 0.000 0.429 284 G N 4.172 112.638 108.800 -0.558 0.000 2.488 284 G HA2 0.657 4.619 3.960 0.005 0.000 0.301 284 G HA3 0.657 4.619 3.960 0.005 0.000 0.301 284 G C -1.712 172.861 174.900 -0.546 0.000 1.339 284 G CA 0.072 44.563 45.100 -1.015 0.000 0.803 284 G HN 1.286 nan 8.290 nan 0.000 0.482 285 V N -0.638 118.923 119.914 -0.589 0.000 2.680 285 V HA 0.834 4.957 4.120 0.005 0.000 0.309 285 V C -0.084 175.926 176.094 -0.140 0.000 1.052 285 V CA -1.033 61.082 62.300 -0.309 0.000 0.908 285 V CB 1.776 33.362 31.823 -0.395 0.000 1.001 285 V HN 0.946 nan 8.190 nan 0.000 0.431 286 R N 2.931 123.447 120.500 0.027 0.000 2.599 286 R HA 0.743 5.086 4.340 0.005 0.000 0.295 286 R C -1.909 174.487 176.300 0.161 0.000 0.963 286 R CA -0.520 55.601 56.100 0.035 0.000 0.883 286 R CB 1.887 32.180 30.300 -0.011 0.000 1.171 286 R HN 0.787 nan 8.270 nan 0.000 0.450 287 F N 0.257 120.243 119.950 0.061 0.000 2.547 287 F HA 0.498 5.027 4.527 0.005 0.000 0.316 287 F C -1.247 174.572 175.800 0.031 0.000 1.121 287 F CA -1.303 56.751 58.000 0.089 0.000 0.911 287 F CB 1.490 40.590 39.000 0.168 0.000 1.179 287 F HN 0.359 nan 8.300 nan 0.000 0.443 288 D N 3.607 124.060 120.400 0.088 0.000 2.168 288 D HA 0.616 5.258 4.640 0.005 0.000 0.246 288 D C -0.718 175.600 176.300 0.030 0.000 1.050 288 D CA 0.036 53.972 54.000 -0.106 0.000 0.857 288 D CB 1.565 42.336 40.800 -0.049 0.000 1.169 288 D HN 0.456 nan 8.370 nan 0.000 0.453 289 F N 0.000 120.052 119.950 0.169 0.000 2.286 289 F HA 0.000 4.530 4.527 0.005 0.000 0.279 289 F CA 0.000 58.094 58.000 0.156 0.000 1.383 289 F CB 0.000 39.120 39.000 0.200 0.000 1.145 289 F HN 0.000 nan 8.300 nan 0.000 0.574