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 1fol_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.967 3.960 0.011 0.000 0.244 67 G C 0.000 174.849 174.900 -0.085 0.000 0.946 67 G CA 0.000 45.078 45.100 -0.036 0.000 0.502 68 P HA 0.247 nan 4.420 nan 0.000 0.265 68 P C -0.329 176.971 177.300 -0.000 0.000 1.187 68 P CA 0.058 63.054 63.100 -0.174 0.000 0.766 68 P CB 0.767 32.114 31.700 -0.587 0.000 0.820 69 K N 3.470 123.836 120.400 -0.056 0.000 3.192 69 K HA 0.175 4.501 4.320 0.011 0.000 0.269 69 K C -1.035 175.221 176.600 -0.573 0.000 1.270 69 K CA -0.038 56.089 56.287 -0.266 0.000 1.249 69 K CB -0.621 31.666 32.500 -0.355 0.000 1.528 69 K HN 0.341 nan 8.250 nan 0.000 0.360 70 F N -0.394 119.592 119.950 0.061 0.000 2.643 70 F HA 0.368 4.901 4.527 0.011 0.000 0.314 70 F C -2.166 173.727 175.800 0.154 0.000 1.096 70 F CA -2.723 55.328 58.000 0.084 0.000 0.953 70 F CB 0.953 40.005 39.000 0.086 0.000 1.345 70 F HN 0.087 nan 8.300 nan 0.000 0.468 71 P HA 0.044 nan 4.420 nan 0.000 0.262 71 P C -0.860 176.515 177.300 0.126 0.000 1.182 71 P CA -0.024 63.175 63.100 0.166 0.000 0.761 71 P CB 0.449 32.222 31.700 0.122 0.000 0.795 72 R N 3.273 123.785 120.500 0.021 0.000 2.207 72 R HA 0.393 4.740 4.340 0.011 0.000 0.334 72 R C -1.208 174.983 176.300 -0.181 0.000 1.013 72 R CA -0.551 55.395 56.100 -0.258 0.000 0.858 72 R CB 0.456 30.649 30.300 -0.178 0.000 1.094 72 R HN 0.225 nan 8.270 nan 0.000 0.457 73 V N 4.948 124.724 119.914 -0.231 0.000 2.435 73 V HA 0.386 4.513 4.120 0.011 0.000 0.290 73 V C -0.170 175.834 176.094 -0.149 0.000 1.030 73 V CA -0.711 61.525 62.300 -0.107 0.000 0.881 73 V CB 1.524 33.324 31.823 -0.037 0.000 0.983 73 V HN 0.714 nan 8.190 nan 0.000 0.445 74 K N 3.532 123.867 120.400 -0.108 0.000 2.318 74 K HA 0.428 4.754 4.320 0.011 0.000 0.249 74 K C -0.776 175.740 176.600 -0.140 0.000 0.942 74 K CA -0.729 55.421 56.287 -0.227 0.000 0.808 74 K CB 1.682 33.894 32.500 -0.480 0.000 1.189 74 K HN 0.708 nan 8.250 nan 0.000 0.428 75 N N 4.145 122.758 118.700 -0.147 0.000 2.501 75 N HA 0.099 4.846 4.740 0.011 0.000 0.245 75 N C -0.278 175.219 175.510 -0.022 0.000 0.974 75 N CA -0.378 52.693 53.050 0.035 0.000 0.941 75 N CB 0.413 38.937 38.487 0.062 0.000 1.122 75 N HN 0.676 nan 8.380 nan 0.000 0.507 76 W N 2.066 123.450 121.300 0.140 0.000 2.611 76 W HA 0.048 4.714 4.660 0.011 0.000 0.251 76 W C 2.047 178.623 176.519 0.096 0.000 1.265 76 W CA 0.040 57.461 57.345 0.127 0.000 1.295 76 W CB 0.215 29.778 29.460 0.171 0.000 1.129 76 W HN 0.647 nan 8.180 nan 0.000 0.630 77 E N 0.445 120.797 120.200 0.253 0.000 2.060 77 E HA -0.113 4.243 4.350 0.011 0.000 0.189 77 E C 1.702 178.333 176.600 0.051 0.000 0.974 77 E CA 0.998 57.446 56.400 0.080 0.000 0.808 77 E CB -0.244 29.471 29.700 0.024 0.000 0.768 77 E HN 0.251 nan 8.360 nan 0.000 0.453 78 L N -0.621 120.630 121.223 0.047 0.000 2.585 78 L HA 0.302 4.649 4.340 0.011 0.000 0.226 78 L C 1.461 178.317 176.870 -0.024 0.000 1.113 78 L CA 0.355 55.202 54.840 0.012 0.000 0.876 78 L CB 0.464 42.532 42.059 0.014 0.000 1.072 78 L HN 0.373 nan 8.230 nan 0.000 0.468 79 G N 0.693 109.459 108.800 -0.057 0.000 2.166 79 G HA2 -0.335 3.632 3.960 0.011 0.000 0.260 79 G HA3 -0.335 3.632 3.960 0.011 0.000 0.260 79 G C 0.423 175.232 174.900 -0.152 0.000 0.986 79 G CA 0.570 45.587 45.100 -0.138 0.000 0.683 79 G HN 0.500 nan 8.290 nan 0.000 0.527 80 S N -0.358 115.273 115.700 -0.114 0.000 2.617 80 S HA 0.808 5.284 4.470 0.011 0.000 0.269 80 S C 0.182 174.696 174.600 -0.144 0.000 1.292 80 S CA -0.777 57.362 58.200 -0.100 0.000 1.010 80 S CB 2.125 65.291 63.200 -0.056 0.000 0.944 80 S HN 0.406 nan 8.310 nan 0.000 0.536 81 I N 1.573 122.064 120.570 -0.131 0.000 2.785 81 I HA 0.642 4.818 4.170 0.011 0.000 0.302 81 I C 0.144 176.161 176.117 -0.167 0.000 1.069 81 I CA -0.257 60.932 61.300 -0.186 0.000 1.045 81 I CB 1.877 39.759 38.000 -0.196 0.000 1.236 81 I HN 1.090 nan 8.210 nan 0.000 0.429 82 T N 0.976 115.368 114.554 -0.270 0.000 2.821 82 T HA 0.648 5.005 4.350 0.011 0.000 0.306 82 T C -1.551 172.913 174.700 -0.394 0.000 1.313 82 T CA -0.712 61.275 62.100 -0.189 0.000 1.012 82 T CB 1.770 70.589 68.868 -0.082 0.000 1.298 82 T HN 0.269 nan 8.240 nan 0.000 0.502 83 Y N 0.398 120.684 120.300 -0.024 0.000 2.350 83 Y HA 0.498 5.055 4.550 0.011 0.000 0.338 83 Y C -0.051 175.815 175.900 -0.056 0.000 0.961 83 Y CA -0.929 57.165 58.100 -0.010 0.000 1.100 83 Y CB 1.715 40.171 38.460 -0.007 0.000 1.179 83 Y HN 0.722 nan 8.280 nan 0.000 0.454 84 D N 2.174 122.637 120.400 0.104 0.000 2.365 84 D HA 0.080 4.726 4.640 0.011 0.000 0.237 84 D C 0.725 177.008 176.300 -0.028 0.000 1.190 84 D CA 0.155 54.179 54.000 0.040 0.000 0.867 84 D CB 1.200 42.055 40.800 0.092 0.000 1.050 84 D HN 0.793 nan 8.370 nan 0.000 0.491 85 T N 1.023 115.439 114.554 -0.230 0.000 3.022 85 T HA -0.044 4.312 4.350 0.011 0.000 0.250 85 T C 1.801 176.384 174.700 -0.195 0.000 1.060 85 T CA -0.263 61.544 62.100 -0.487 0.000 1.013 85 T CB 0.104 68.441 68.868 -0.885 0.000 0.982 85 T HN 0.242 nan 8.240 nan 0.000 0.508 86 L N 2.504 123.643 121.223 -0.140 0.000 2.131 86 L HA 0.053 4.400 4.340 0.011 0.000 0.210 86 L C 2.562 179.292 176.870 -0.232 0.000 1.092 86 L CA 1.176 55.960 54.840 -0.094 0.000 0.759 86 L CB -0.997 41.078 42.059 0.027 0.000 0.903 86 L HN 0.660 nan 8.230 nan 0.000 0.435 87 C N -1.679 117.301 119.300 -0.533 0.000 2.419 87 C HA 0.090 4.556 4.460 0.011 0.000 0.283 87 C C 2.795 177.577 174.990 -0.347 0.000 1.373 87 C CA 0.105 58.540 59.018 -0.972 0.000 1.781 87 C CB -2.262 24.879 27.740 -0.999 0.000 1.886 87 C HN 0.580 nan 8.230 nan 0.000 0.520 88 A N 0.421 123.174 122.820 -0.111 0.000 2.070 88 A HA -0.147 4.180 4.320 0.011 0.000 0.220 88 A C 2.255 179.834 177.584 -0.007 0.000 1.159 88 A CA 1.425 53.469 52.037 0.012 0.000 0.656 88 A CB -0.591 18.511 19.000 0.170 0.000 0.800 88 A HN 0.806 nan 8.150 nan 0.000 0.453 89 Q N -0.287 119.496 119.800 -0.029 0.000 2.403 89 Q HA 0.082 4.428 4.340 0.011 0.000 0.203 89 Q C 0.568 176.585 176.000 0.028 0.000 0.932 89 Q CA 0.105 55.914 55.803 0.010 0.000 0.945 89 Q CB 0.152 28.904 28.738 0.023 0.000 1.045 89 Q HN 0.512 nan 8.270 nan 0.000 0.511 90 S N 0.571 116.276 115.700 0.008 0.000 2.510 90 S HA 0.021 4.497 4.470 0.011 0.000 0.279 90 S C 0.636 175.264 174.600 0.047 0.000 1.284 90 S CA -0.050 58.188 58.200 0.063 0.000 1.059 90 S CB 0.648 63.898 63.200 0.084 0.000 0.901 90 S HN 0.257 nan 8.310 nan 0.000 0.491 91 Q N 2.716 122.549 119.800 0.056 0.000 2.247 91 Q HA 0.184 4.530 4.340 0.011 0.000 0.211 91 Q C -0.345 175.679 176.000 0.041 0.000 0.861 91 Q CA 0.144 55.973 55.803 0.043 0.000 0.949 91 Q CB 0.613 29.379 28.738 0.045 0.000 1.115 91 Q HN 0.720 nan 8.270 nan 0.000 0.507 92 Q N 1.133 120.962 119.800 0.049 0.000 2.333 92 Q HA 0.221 4.568 4.340 0.011 0.000 0.268 92 Q C -1.170 174.859 176.000 0.048 0.000 1.007 92 Q CA -0.590 55.238 55.803 0.041 0.000 0.810 92 Q CB 1.698 30.456 28.738 0.035 0.000 1.264 92 Q HN 0.036 nan 8.270 nan 0.000 0.452 93 D N 1.773 122.196 120.400 0.038 0.000 2.399 93 D HA 0.158 4.805 4.640 0.011 0.000 0.241 93 D C 0.344 176.670 176.300 0.042 0.000 1.133 93 D CA 0.333 54.357 54.000 0.040 0.000 0.890 93 D CB 1.237 42.056 40.800 0.030 0.000 1.201 93 D HN 0.647 nan 8.370 nan 0.000 0.432 94 G N 0.850 109.680 108.800 0.050 0.000 2.606 94 G HA2 0.317 4.284 3.960 0.011 0.000 0.262 94 G HA3 0.317 4.284 3.960 0.011 0.000 0.262 94 G C -1.706 173.219 174.900 0.042 0.000 1.394 94 G CA -0.615 44.514 45.100 0.048 0.000 1.044 94 G HN 0.304 nan 8.290 nan 0.000 0.553 95 P HA 0.177 nan 4.420 nan 0.000 0.251 95 P C 0.342 177.664 177.300 0.038 0.000 1.223 95 P CA -0.049 63.075 63.100 0.040 0.000 0.796 95 P CB 0.193 31.919 31.700 0.044 0.000 1.068 96 C N 0.605 119.929 119.300 0.041 0.000 2.403 96 C HA 0.651 5.117 4.460 0.011 0.000 0.361 96 C C 0.996 176.004 174.990 0.030 0.000 1.274 96 C CA 0.217 59.256 59.018 0.036 0.000 2.433 96 C CB 0.934 28.699 27.740 0.041 0.000 2.323 96 C HN 0.351 nan 8.230 nan 0.000 0.614 97 T N -2.505 112.064 114.554 0.024 0.000 2.821 97 T HA 0.381 4.738 4.350 0.011 0.000 0.306 97 T C -2.574 172.136 174.700 0.016 0.000 1.313 97 T CA -0.986 61.125 62.100 0.019 0.000 1.012 97 T CB 1.268 70.145 68.868 0.015 0.000 1.298 97 T HN 0.267 nan 8.240 nan 0.000 0.502 98 P HA -0.021 nan 4.420 nan 0.000 0.219 98 P C 1.495 178.800 177.300 0.009 0.000 1.146 98 P CA 0.710 63.816 63.100 0.010 0.000 0.808 98 P CB 0.133 31.837 31.700 0.006 0.000 0.779 99 R N -0.104 120.401 120.500 0.009 0.000 2.062 99 R HA -0.049 4.297 4.340 0.011 0.000 0.229 99 R C 0.739 177.044 176.300 0.008 0.000 1.128 99 R CA 0.989 57.094 56.100 0.008 0.000 0.960 99 R CB 0.140 30.444 30.300 0.008 0.000 0.855 99 R HN 0.059 nan 8.270 nan 0.000 0.432 100 R N 0.101 120.608 120.500 0.011 0.000 2.668 100 R HA 0.199 4.546 4.340 0.011 0.000 0.272 100 R C -1.719 174.592 176.300 0.017 0.000 1.019 100 R CA -0.711 55.397 56.100 0.012 0.000 0.894 100 R CB 0.488 30.796 30.300 0.012 0.000 1.228 100 R HN 0.146 nan 8.270 nan 0.000 0.460 101 C N 4.198 123.509 119.300 0.017 0.000 2.347 101 C HA 0.531 4.997 4.460 0.011 0.000 0.353 101 C C 0.758 175.767 174.990 0.030 0.000 1.273 101 C CA -0.665 58.368 59.018 0.024 0.000 1.861 101 C CB -0.891 26.860 27.740 0.018 0.000 2.420 101 C HN 0.802 nan 8.230 nan 0.000 0.542 102 L N 5.823 127.070 121.223 0.040 0.000 3.017 102 L HA 0.282 4.628 4.340 0.011 0.000 0.255 102 L C 2.047 178.956 176.870 0.065 0.000 1.247 102 L CA 0.237 55.105 54.840 0.048 0.000 1.038 102 L CB -0.082 42.003 42.059 0.044 0.000 1.380 102 L HN 1.048 nan 8.230 nan 0.000 0.548 103 G N 0.303 109.144 108.800 0.069 0.000 2.462 103 G HA2 -0.278 3.688 3.960 0.011 0.000 0.220 103 G HA3 -0.278 3.688 3.960 0.011 0.000 0.220 103 G C 1.640 176.619 174.900 0.132 0.000 1.121 103 G CA 1.158 46.314 45.100 0.093 0.000 0.758 103 G HN 0.520 nan 8.290 nan 0.000 0.559 104 S N -0.448 115.325 115.700 0.121 0.000 2.561 104 S HA 0.242 4.719 4.470 0.011 0.000 0.225 104 S C 0.785 175.484 174.600 0.165 0.000 0.977 104 S CA -0.323 57.967 58.200 0.151 0.000 0.926 104 S CB -0.112 63.151 63.200 0.106 0.000 0.769 104 S HN -0.006 nan 8.310 nan 0.000 0.533 105 L N 2.240 123.544 121.223 0.136 0.000 2.455 105 L HA 0.204 4.551 4.340 0.011 0.000 0.272 105 L C 1.416 178.401 176.870 0.190 0.000 1.174 105 L CA 0.214 55.132 54.840 0.130 0.000 0.869 105 L CB 0.613 42.725 42.059 0.090 0.000 1.130 105 L HN -0.008 nan 8.230 nan 0.000 0.474 106 V N 3.788 123.826 119.914 0.206 0.000 2.283 106 V HA -0.098 4.028 4.120 0.011 0.000 0.243 106 V C 0.958 177.169 176.094 0.194 0.000 1.039 106 V CA 1.184 63.660 62.300 0.294 0.000 1.016 106 V CB -0.244 31.739 31.823 0.267 0.000 0.650 106 V HN 0.524 nan 8.190 nan 0.000 0.449 107 L N 3.135 124.410 121.223 0.087 0.000 2.506 107 L HA 0.371 4.718 4.340 0.011 0.000 0.247 107 L C -2.377 174.529 176.870 0.060 0.000 1.141 107 L CA -1.228 53.633 54.840 0.036 0.000 0.973 107 L CB 0.764 42.772 42.059 -0.084 0.000 1.319 107 L HN 0.233 nan 8.230 nan 0.000 0.455 108 P HA 0.166 nan 4.420 nan 0.000 0.282 108 P C -0.291 177.043 177.300 0.057 0.000 1.262 108 P CA -0.634 62.504 63.100 0.064 0.000 0.773 108 P CB 1.056 32.797 31.700 0.067 0.000 0.879 109 R N 3.695 124.217 120.500 0.038 0.000 3.491 109 R HA 0.046 4.393 4.340 0.011 0.000 0.186 109 R C 0.759 177.078 176.300 0.031 0.000 1.737 109 R CA 0.339 56.457 56.100 0.030 0.000 1.218 109 R CB -0.374 29.936 30.300 0.017 0.000 1.301 109 R HN 0.475 nan 8.270 nan 0.000 0.703 110 K N 0.195 120.619 120.400 0.040 0.000 2.678 110 K HA 0.142 4.469 4.320 0.011 0.000 0.240 110 K C 1.730 178.348 176.600 0.031 0.000 1.508 110 K CA -0.029 56.278 56.287 0.033 0.000 0.824 110 K CB -0.581 31.940 32.500 0.036 0.000 1.893 110 K HN 0.047 nan 8.250 nan 0.000 0.366 111 L N 2.446 123.689 121.223 0.034 0.000 2.265 111 L HA -0.030 4.316 4.340 0.011 0.000 0.215 111 L C 0.967 177.857 176.870 0.034 0.000 1.117 111 L CA 0.808 55.662 54.840 0.022 0.000 0.782 111 L CB -1.111 40.948 42.059 0.001 0.000 0.914 111 L HN 0.277 nan 8.230 nan 0.000 0.441 112 Q N 1.720 121.554 119.800 0.056 0.000 3.553 112 Q HA -0.149 4.197 4.340 0.011 0.000 0.363 112 Q C 0.229 176.243 176.000 0.023 0.000 1.136 112 Q CA 0.483 56.317 55.803 0.052 0.000 1.269 112 Q CB -0.489 28.270 28.738 0.035 0.000 0.995 112 Q HN 0.467 nan 8.270 nan 0.000 0.442 113 T N 2.147 116.715 114.554 0.023 0.000 4.219 113 T HA 0.254 4.610 4.350 0.011 0.000 0.263 113 T C 0.233 174.926 174.700 -0.011 0.000 1.217 113 T CA -0.791 61.311 62.100 0.003 0.000 1.145 113 T CB -0.041 68.830 68.868 0.005 0.000 1.298 113 T HN 0.360 nan 8.240 nan 0.000 0.999 114 R N 3.659 124.149 120.500 -0.016 0.000 2.640 114 R HA 0.177 4.524 4.340 0.011 0.000 0.270 114 R C -1.985 174.296 176.300 -0.032 0.000 1.024 114 R CA -1.773 54.309 56.100 -0.030 0.000 1.085 114 R CB -0.053 30.232 30.300 -0.025 0.000 0.963 114 R HN 0.388 nan 8.270 nan 0.000 0.426 115 P HA -0.005 nan 4.420 nan 0.000 0.258 115 P C -1.118 176.166 177.300 -0.028 0.000 1.214 115 P CA 0.150 63.227 63.100 -0.038 0.000 0.872 115 P CB 0.222 31.893 31.700 -0.048 0.000 0.890 116 S N 3.587 119.272 115.700 -0.025 0.000 2.695 116 S HA 0.350 4.826 4.470 0.011 0.000 0.275 116 S C -1.507 173.081 174.600 -0.019 0.000 1.203 116 S CA -1.115 57.072 58.200 -0.020 0.000 1.061 116 S CB 0.411 63.599 63.200 -0.020 0.000 1.152 116 S HN 0.181 nan 8.310 nan 0.000 0.495 117 P HA 0.022 nan 4.420 nan 0.000 0.213 117 P C 1.006 178.300 177.300 -0.010 0.000 1.170 117 P CA 1.004 64.098 63.100 -0.011 0.000 0.902 117 P CB -0.466 31.229 31.700 -0.008 0.000 0.789 118 G N 1.309 110.104 108.800 -0.008 0.000 2.305 118 G HA2 0.204 4.170 3.960 0.011 0.000 0.243 118 G HA3 0.204 4.170 3.960 0.011 0.000 0.243 118 G C -2.336 172.560 174.900 -0.008 0.000 1.288 118 G CA -0.540 44.557 45.100 -0.005 0.000 0.901 118 G HN 0.116 nan 8.290 nan 0.000 0.516 119 P HA 0.055 nan 4.420 nan 0.000 0.263 119 P C -1.842 175.454 177.300 -0.006 0.000 1.175 119 P CA -0.468 62.627 63.100 -0.008 0.000 0.761 119 P CB 0.143 31.842 31.700 -0.002 0.000 0.794 120 P HA 0.117 nan 4.420 nan 0.000 0.268 120 P C -2.465 174.838 177.300 0.005 0.000 1.204 120 P CA -1.298 61.799 63.100 -0.005 0.000 0.768 120 P CB -0.515 31.179 31.700 -0.010 0.000 0.842 121 P HA -0.061 nan 4.420 nan 0.000 0.250 121 P C 1.114 178.423 177.300 0.015 0.000 1.161 121 P CA 0.482 63.588 63.100 0.010 0.000 0.863 121 P CB -0.252 31.453 31.700 0.009 0.000 0.827 122 A N 4.078 126.908 122.820 0.017 0.000 2.023 122 A HA -0.316 4.010 4.320 0.011 0.000 0.223 122 A C 2.155 179.751 177.584 0.020 0.000 1.180 122 A CA 2.118 54.168 52.037 0.023 0.000 0.659 122 A CB -0.881 18.131 19.000 0.019 0.000 0.817 122 A HN 0.538 nan 8.150 nan 0.000 0.466 123 E N -1.115 119.093 120.200 0.015 0.000 2.047 123 E HA -0.228 4.128 4.350 0.011 0.000 0.191 123 E C 2.294 178.905 176.600 0.017 0.000 0.987 123 E CA 1.183 57.590 56.400 0.012 0.000 0.799 123 E CB -0.159 29.546 29.700 0.009 0.000 0.752 123 E HN 0.799 nan 8.360 nan 0.000 0.449 124 Q N 0.326 120.138 119.800 0.019 0.000 2.046 124 Q HA -0.190 4.156 4.340 0.011 0.000 0.200 124 Q C 2.365 178.386 176.000 0.035 0.000 0.975 124 Q CA 1.241 57.058 55.803 0.023 0.000 0.836 124 Q CB -0.122 28.627 28.738 0.018 0.000 0.896 124 Q HN 0.307 nan 8.270 nan 0.000 0.428 125 L N 0.875 122.122 121.223 0.041 0.000 2.012 125 L HA -0.192 4.155 4.340 0.011 0.000 0.210 125 L C 2.216 179.133 176.870 0.079 0.000 1.073 125 L CA 1.505 56.387 54.840 0.070 0.000 0.748 125 L CB -0.928 41.177 42.059 0.077 0.000 0.891 125 L HN 0.335 nan 8.230 nan 0.000 0.431 126 L N -0.368 120.880 121.223 0.043 0.000 2.012 126 L HA -0.223 4.123 4.340 0.011 0.000 0.210 126 L C 2.793 179.669 176.870 0.010 0.000 1.073 126 L CA 2.367 57.210 54.840 0.005 0.000 0.748 126 L CB -1.228 40.828 42.059 -0.006 0.000 0.891 126 L HN 0.704 nan 8.230 nan 0.000 0.431 127 S N -1.404 114.311 115.700 0.025 0.000 2.383 127 S HA -0.241 4.235 4.470 0.011 0.000 0.227 127 S C 1.808 176.443 174.600 0.060 0.000 1.026 127 S CA 1.028 59.248 58.200 0.032 0.000 0.981 127 S CB -0.384 62.833 63.200 0.029 0.000 0.818 127 S HN 0.529 nan 8.310 nan 0.000 0.472 128 Q N 0.876 120.721 119.800 0.075 0.000 2.119 128 Q HA 0.107 4.453 4.340 0.011 0.000 0.201 128 Q C 2.569 178.668 176.000 0.164 0.000 0.972 128 Q CA 1.276 57.144 55.803 0.108 0.000 0.847 128 Q CB -0.464 28.331 28.738 0.095 0.000 0.903 128 Q HN 0.788 nan 8.270 nan 0.000 0.433 129 A N 1.160 124.065 122.820 0.142 0.000 1.898 129 A HA -0.163 4.163 4.320 0.011 0.000 0.216 129 A C 1.931 179.575 177.584 0.100 0.000 1.181 129 A CA 1.090 53.203 52.037 0.128 0.000 0.620 129 A CB -0.315 18.573 19.000 -0.187 0.000 0.819 129 A HN 0.205 nan 8.150 nan 0.000 0.442 130 R N -0.544 119.982 120.500 0.043 0.000 2.152 130 R HA -0.132 4.214 4.340 0.011 0.000 0.232 130 R C 1.786 178.150 176.300 0.107 0.000 1.117 130 R CA 1.441 57.570 56.100 0.048 0.000 0.981 130 R CB -0.376 29.932 30.300 0.014 0.000 0.870 130 R HN 0.721 nan 8.270 nan 0.000 0.451 131 D N 0.298 120.778 120.400 0.134 0.000 2.091 131 D HA -0.180 4.466 4.640 0.011 0.000 0.199 131 D C 1.614 178.041 176.300 0.210 0.000 0.980 131 D CA 0.796 54.887 54.000 0.151 0.000 0.831 131 D CB -0.037 40.849 40.800 0.144 0.000 0.987 131 D HN 0.096 nan 8.370 nan 0.000 0.460 132 F N 1.003 121.038 119.950 0.142 0.000 2.134 132 F HA -0.107 4.426 4.527 0.010 0.000 0.299 132 F C 1.900 177.837 175.800 0.228 0.000 1.097 132 F CA 1.054 59.174 58.000 0.199 0.000 1.264 132 F CB -0.270 38.858 39.000 0.213 0.000 1.001 132 F HN 0.011 nan 8.300 nan 0.000 0.479 133 I N 0.901 121.484 120.570 0.023 0.000 2.208 133 I HA -0.317 3.859 4.170 0.011 0.000 0.245 133 I C 1.985 178.108 176.117 0.010 0.000 1.097 133 I CA 1.250 62.545 61.300 -0.007 0.000 1.363 133 I CB -1.664 36.421 38.000 0.142 0.000 1.051 133 I HN 0.230 nan 8.210 nan 0.000 0.413 134 N N 0.910 119.645 118.700 0.058 0.000 2.120 134 N HA -0.186 4.561 4.740 0.011 0.000 0.188 134 N C 1.849 177.298 175.510 -0.101 0.000 1.024 134 N CA 1.066 54.127 53.050 0.019 0.000 0.852 134 N CB -0.356 38.202 38.487 0.119 0.000 1.003 134 N HN 0.492 nan 8.380 nan 0.000 0.424 135 Q N -0.740 119.018 119.800 -0.070 0.000 2.084 135 Q HA -0.177 4.169 4.340 0.011 0.000 0.202 135 Q C 1.719 177.515 176.000 -0.339 0.000 0.978 135 Q CA 1.238 57.007 55.803 -0.056 0.000 0.844 135 Q CB -0.198 28.640 28.738 0.167 0.000 0.898 135 Q HN 0.473 nan 8.270 nan 0.000 0.426 136 Y N -0.153 119.715 120.300 -0.720 0.000 2.133 136 Y HA -0.268 4.287 4.550 0.009 0.000 0.287 136 Y C 1.696 177.094 175.900 -0.838 0.000 1.134 136 Y CA 1.527 58.960 58.100 -1.112 0.000 1.133 136 Y CB -0.479 37.383 38.460 -0.996 0.000 0.987 136 Y HN 0.060 nan 8.280 nan 0.000 0.502 137 Y N -0.500 119.378 120.300 -0.703 0.000 2.333 137 Y HA -0.200 4.358 4.550 0.012 0.000 0.290 137 Y C 3.047 178.609 175.900 -0.564 0.000 1.144 137 Y CA 1.653 59.330 58.100 -0.705 0.000 1.228 137 Y CB -0.775 37.208 38.460 -0.794 0.000 0.985 137 Y HN 0.253 nan 8.280 nan 0.000 0.542 138 S N -0.584 114.891 115.700 -0.374 0.000 2.355 138 S HA -0.184 4.293 4.470 0.011 0.000 0.222 138 S C 2.359 176.788 174.600 -0.286 0.000 1.031 138 S CA 1.405 59.458 58.200 -0.245 0.000 0.993 138 S CB -0.686 62.422 63.200 -0.152 0.000 0.859 138 S HN 0.554 nan 8.310 nan 0.000 0.453 139 S N 1.745 117.192 115.700 -0.422 0.000 2.442 139 S HA -0.027 4.449 4.470 0.011 0.000 0.236 139 S C 1.636 176.004 174.600 -0.386 0.000 1.007 139 S CA 0.993 58.983 58.200 -0.351 0.000 0.965 139 S CB -0.952 61.970 63.200 -0.464 0.000 0.773 139 S HN 0.821 nan 8.310 nan 0.000 0.504 140 I N -3.523 116.714 120.570 -0.555 0.000 3.928 140 I HA 0.415 4.592 4.170 0.011 0.000 0.335 140 I C -0.291 175.654 176.117 -0.287 0.000 1.325 140 I CA -0.554 60.470 61.300 -0.460 0.000 1.107 140 I CB -0.027 37.567 38.000 -0.677 0.000 1.014 140 I HN -0.129 nan 8.210 nan 0.000 0.400 141 K N 2.453 122.712 120.400 -0.234 0.000 3.162 141 K HA -0.134 4.193 4.320 0.011 0.000 0.268 141 K C -0.151 176.392 176.600 -0.096 0.000 1.062 141 K CA 0.433 56.639 56.287 -0.135 0.000 0.769 141 K CB -1.508 30.931 32.500 -0.100 0.000 1.274 141 K HN 0.576 nan 8.250 nan 0.000 0.478 142 R N -0.853 119.595 120.500 -0.088 0.000 2.615 142 R HA 0.074 4.421 4.340 0.011 0.000 0.448 142 R C 0.113 176.462 176.300 0.081 0.000 1.009 142 R CA -0.271 55.839 56.100 0.016 0.000 1.111 142 R CB 0.893 31.235 30.300 0.068 0.000 1.461 142 R HN 0.193 nan 8.270 nan 0.000 0.587 143 S N -0.145 115.571 115.700 0.025 0.000 2.537 143 S HA 0.294 4.771 4.470 0.011 0.000 0.286 143 S C 1.379 176.090 174.600 0.184 0.000 1.299 143 S CA 1.525 59.786 58.200 0.102 0.000 1.067 143 S CB 0.454 63.674 63.200 0.033 0.000 0.864 143 S HN 0.723 nan 8.310 nan 0.000 0.494 144 G N 3.096 112.101 108.800 0.342 0.000 2.179 144 G HA2 -0.294 3.672 3.960 0.011 0.000 0.260 144 G HA3 -0.294 3.672 3.960 0.011 0.000 0.260 144 G C 0.328 175.243 174.900 0.025 0.000 0.977 144 G CA 0.562 45.706 45.100 0.074 0.000 0.641 144 G HN 1.665 nan 8.290 nan 0.000 0.533 145 S N -0.760 114.986 115.700 0.076 0.000 2.634 145 S HA 0.469 4.945 4.470 0.011 0.000 0.261 145 S C 1.309 175.905 174.600 -0.006 0.000 1.271 145 S CA 0.733 58.956 58.200 0.039 0.000 0.985 145 S CB 1.388 64.633 63.200 0.076 0.000 0.968 145 S HN 0.516 nan 8.310 nan 0.000 0.568 146 Q N 0.325 120.124 119.800 -0.003 0.000 2.079 146 Q HA -0.083 4.263 4.340 0.011 0.000 0.200 146 Q C 2.237 178.221 176.000 -0.026 0.000 0.974 146 Q CA 1.455 57.244 55.803 -0.022 0.000 0.840 146 Q CB -0.752 27.983 28.738 -0.005 0.000 0.898 146 Q HN 0.923 nan 8.270 nan 0.000 0.430 147 A N -0.075 122.759 122.820 0.023 0.000 1.933 147 A HA -0.237 4.090 4.320 0.011 0.000 0.218 147 A C 1.850 179.340 177.584 -0.156 0.000 1.175 147 A CA 1.652 53.724 52.037 0.057 0.000 0.628 147 A CB -0.953 18.188 19.000 0.235 0.000 0.814 147 A HN 0.694 nan 8.150 nan 0.000 0.444 148 H N -0.772 117.979 119.070 -0.531 0.000 2.293 148 H HA -0.104 4.459 4.556 0.011 0.000 0.300 148 H C 1.919 176.920 175.328 -0.545 0.000 1.082 148 H CA 1.238 56.633 56.048 -1.088 0.000 1.308 148 H CB 0.121 29.458 29.762 -0.709 0.000 1.375 148 H HN 0.407 nan 8.280 nan 0.000 0.495 149 E N 0.685 120.679 120.200 -0.344 0.000 2.106 149 E HA -0.150 4.207 4.350 0.011 0.000 0.192 149 E C 2.089 178.578 176.600 -0.185 0.000 0.984 149 E CA 0.964 57.177 56.400 -0.312 0.000 0.806 149 E CB -0.084 29.480 29.700 -0.228 0.000 0.750 149 E HN 0.702 nan 8.360 nan 0.000 0.458 150 E N 0.480 120.602 120.200 -0.130 0.000 2.106 150 E HA -0.173 4.184 4.350 0.011 0.000 0.192 150 E C 2.174 178.743 176.600 -0.052 0.000 0.984 150 E CA 0.747 57.105 56.400 -0.069 0.000 0.806 150 E CB -0.061 29.621 29.700 -0.031 0.000 0.750 150 E HN -0.069 nan 8.360 nan 0.000 0.458 151 R N 1.438 121.898 120.500 -0.066 0.000 2.075 151 R HA -0.074 4.272 4.340 0.011 0.000 0.232 151 R C 2.074 178.356 176.300 -0.031 0.000 1.126 151 R CA 1.127 57.225 56.100 -0.004 0.000 0.963 151 R CB -0.630 29.699 30.300 0.049 0.000 0.858 151 R HN 0.158 nan 8.270 nan 0.000 0.435 152 L N 0.270 121.441 121.223 -0.087 0.000 2.042 152 L HA -0.226 4.121 4.340 0.011 0.000 0.210 152 L C 2.533 179.351 176.870 -0.087 0.000 1.076 152 L CA 1.739 56.523 54.840 -0.094 0.000 0.749 152 L CB -0.405 41.556 42.059 -0.162 0.000 0.893 152 L HN 0.370 nan 8.230 nan 0.000 0.432 153 Q N -0.642 119.110 119.800 -0.079 0.000 2.119 153 Q HA -0.252 4.095 4.340 0.011 0.000 0.201 153 Q C 2.090 178.069 176.000 -0.035 0.000 0.972 153 Q CA 1.364 57.133 55.803 -0.057 0.000 0.847 153 Q CB -0.087 28.621 28.738 -0.050 0.000 0.903 153 Q HN 0.487 nan 8.270 nan 0.000 0.433 154 E N 0.208 120.395 120.200 -0.021 0.000 2.110 154 E HA -0.172 4.184 4.350 0.011 0.000 0.193 154 E C 1.954 178.556 176.600 0.003 0.000 0.988 154 E CA 1.025 57.430 56.400 0.008 0.000 0.804 154 E CB 0.237 29.958 29.700 0.035 0.000 0.745 154 E HN 0.131 nan 8.360 nan 0.000 0.458 155 V N 1.280 121.161 119.914 -0.054 0.000 2.270 155 V HA -0.243 3.883 4.120 0.011 0.000 0.245 155 V C 2.028 178.047 176.094 -0.125 0.000 1.043 155 V CA 2.105 64.308 62.300 -0.162 0.000 1.014 155 V CB -0.505 31.100 31.823 -0.362 0.000 0.645 155 V HN 0.281 nan 8.190 nan 0.000 0.447 156 E N 0.603 120.744 120.200 -0.098 0.000 2.058 156 E HA -0.227 4.129 4.350 0.011 0.000 0.194 156 E C 2.316 178.905 176.600 -0.019 0.000 0.997 156 E CA 1.394 57.759 56.400 -0.059 0.000 0.801 156 E CB -0.429 29.240 29.700 -0.053 0.000 0.746 156 E HN 0.590 nan 8.360 nan 0.000 0.450 157 A N 1.755 124.569 122.820 -0.009 0.000 1.849 157 A HA -0.328 3.999 4.320 0.011 0.000 0.217 157 A C 2.159 179.764 177.584 0.034 0.000 1.202 157 A CA 1.999 54.043 52.037 0.012 0.000 0.629 157 A CB -0.766 18.242 19.000 0.014 0.000 0.834 157 A HN 0.332 nan 8.150 nan 0.000 0.447 158 E N -0.503 119.731 120.200 0.056 0.000 2.130 158 E HA -0.165 4.192 4.350 0.011 0.000 0.196 158 E C 1.753 178.415 176.600 0.103 0.000 0.998 158 E CA 1.611 58.071 56.400 0.101 0.000 0.806 158 E CB -0.156 29.643 29.700 0.165 0.000 0.738 158 E HN 0.325 nan 8.360 nan 0.000 0.459 159 V N 0.737 120.701 119.914 0.083 0.000 2.548 159 V HA -0.154 3.972 4.120 0.011 0.000 0.249 159 V C 2.343 178.467 176.094 0.051 0.000 1.055 159 V CA 1.411 63.760 62.300 0.082 0.000 1.065 159 V CB -0.437 31.425 31.823 0.065 0.000 0.681 159 V HN 0.445 nan 8.190 nan 0.000 0.462 160 A N 0.848 123.689 122.820 0.035 0.000 1.902 160 A HA -0.178 4.148 4.320 0.011 0.000 0.217 160 A C 2.390 179.992 177.584 0.030 0.000 1.181 160 A CA 2.236 54.288 52.037 0.025 0.000 0.623 160 A CB -0.526 18.483 19.000 0.016 0.000 0.818 160 A HN 0.676 nan 8.150 nan 0.000 0.443 161 S N -2.062 113.661 115.700 0.039 0.000 2.556 161 S HA 0.076 4.552 4.470 0.011 0.000 0.216 161 S C 1.156 175.785 174.600 0.047 0.000 0.970 161 S CA 1.065 59.289 58.200 0.039 0.000 0.912 161 S CB -0.144 63.079 63.200 0.039 0.000 0.790 161 S HN 0.801 nan 8.310 nan 0.000 0.504 162 T N -4.636 109.952 114.554 0.057 0.000 3.046 162 T HA 0.547 4.903 4.350 0.011 0.000 0.270 162 T C 1.558 176.288 174.700 0.050 0.000 0.920 162 T CA 0.748 62.885 62.100 0.061 0.000 0.874 162 T CB 0.159 69.082 68.868 0.091 0.000 1.214 162 T HN 1.092 nan 8.240 nan 0.000 0.536 163 G N 0.590 109.419 108.800 0.048 0.000 2.299 163 G HA2 -0.240 3.727 3.960 0.011 0.000 0.237 163 G HA3 -0.240 3.727 3.960 0.011 0.000 0.237 163 G C 0.287 175.213 174.900 0.043 0.000 1.027 163 G CA 0.700 45.822 45.100 0.037 0.000 0.619 163 G HN 0.980 nan 8.290 nan 0.000 0.513 164 T N -1.108 113.472 114.554 0.043 0.000 2.604 164 T HA 0.768 5.125 4.350 0.011 0.000 0.267 164 T C -0.876 173.893 174.700 0.114 0.000 0.923 164 T CA 0.526 62.637 62.100 0.018 0.000 1.077 164 T CB 1.434 70.221 68.868 -0.135 0.000 1.392 164 T HN 1.532 nan 8.240 nan 0.000 0.531 165 Y N -1.122 119.071 120.300 -0.178 0.000 2.750 165 Y HA 0.759 5.315 4.550 0.010 0.000 0.335 165 Y C -1.704 173.995 175.900 -0.336 0.000 1.252 165 Y CA -1.228 56.804 58.100 -0.113 0.000 1.064 165 Y CB 0.674 39.134 38.460 -0.000 0.000 1.321 165 Y HN 0.762 nan 8.280 nan 0.000 0.451 166 H N 0.624 119.761 119.070 0.111 0.000 2.747 166 H HA 0.701 5.263 4.556 0.011 0.000 0.371 166 H C -1.118 174.305 175.328 0.158 0.000 1.161 166 H CA -0.873 55.178 56.048 0.005 0.000 1.167 166 H CB 2.051 31.841 29.762 0.046 0.000 1.732 166 H HN 0.712 nan 8.280 nan 0.000 0.544 167 L N 1.962 123.311 121.223 0.210 0.000 2.325 167 L HA 0.488 4.835 4.340 0.011 0.000 0.279 167 L C 0.502 177.469 176.870 0.163 0.000 1.054 167 L CA -0.747 54.231 54.840 0.230 0.000 0.804 167 L CB 1.057 43.230 42.059 0.190 0.000 1.200 167 L HN 0.422 nan 8.230 nan 0.000 0.436 168 R N 1.063 121.631 120.500 0.113 0.000 2.679 168 R HA 0.013 4.359 4.340 0.011 0.000 0.269 168 R C 1.131 177.442 176.300 0.019 0.000 1.076 168 R CA -0.298 55.832 56.100 0.050 0.000 1.160 168 R CB 0.747 31.050 30.300 0.004 0.000 1.054 168 R HN 0.672 nan 8.270 nan 0.000 0.507 169 E N 1.137 121.345 120.200 0.014 0.000 2.048 169 E HA -0.282 4.075 4.350 0.011 0.000 0.202 169 E C 1.478 178.076 176.600 -0.002 0.000 1.021 169 E CA 2.415 58.817 56.400 0.002 0.000 0.825 169 E CB -0.003 29.701 29.700 0.006 0.000 0.756 169 E HN 0.691 nan 8.360 nan 0.000 0.454 170 S N 0.009 115.707 115.700 -0.003 0.000 2.442 170 S HA -0.157 4.319 4.470 0.011 0.000 0.236 170 S C 1.639 176.241 174.600 0.003 0.000 1.007 170 S CA 1.252 59.472 58.200 0.033 0.000 0.965 170 S CB -0.264 62.981 63.200 0.076 0.000 0.773 170 S HN 0.353 nan 8.310 nan 0.000 0.504 171 E N 0.734 120.846 120.200 -0.148 0.000 2.076 171 E HA 0.017 4.373 4.350 0.011 0.000 0.190 171 E C 1.991 178.736 176.600 0.241 0.000 0.979 171 E CA 0.821 57.154 56.400 -0.111 0.000 0.807 171 E CB -0.299 29.344 29.700 -0.095 0.000 0.761 171 E HN 0.420 nan 8.360 nan 0.000 0.454 172 L N 1.167 122.439 121.223 0.082 0.000 1.994 172 L HA -0.169 4.178 4.340 0.011 0.000 0.208 172 L C 2.279 179.140 176.870 -0.016 0.000 1.071 172 L CA 1.427 56.248 54.840 -0.030 0.000 0.745 172 L CB -0.446 41.537 42.059 -0.126 0.000 0.892 172 L HN -0.075 nan 8.230 nan 0.000 0.431 173 V N -0.260 119.669 119.914 0.026 0.000 2.282 173 V HA -0.351 3.776 4.120 0.011 0.000 0.249 173 V C 2.347 178.524 176.094 0.137 0.000 1.057 173 V CA 2.301 64.626 62.300 0.041 0.000 1.032 173 V CB -1.026 30.831 31.823 0.056 0.000 0.645 173 V HN 0.592 nan 8.190 nan 0.000 0.447 174 F N 1.991 122.024 119.950 0.138 0.000 2.069 174 F HA -0.062 4.470 4.527 0.009 0.000 0.298 174 F C 2.196 178.139 175.800 0.239 0.000 1.113 174 F CA 1.867 60.005 58.000 0.230 0.000 1.214 174 F CB -1.042 38.167 39.000 0.348 0.000 0.978 174 F HN 0.118 nan 8.300 nan 0.000 0.474 175 G N -0.164 108.671 108.800 0.060 0.000 2.421 175 G HA2 -0.226 3.741 3.960 0.011 0.000 0.216 175 G HA3 -0.226 3.741 3.960 0.011 0.000 0.216 175 G C 1.854 176.594 174.900 -0.267 0.000 1.171 175 G CA 1.035 46.038 45.100 -0.161 0.000 0.775 175 G HN 0.682 nan 8.290 nan 0.000 0.543 176 A N 1.049 123.749 122.820 -0.200 0.000 1.892 176 A HA -0.125 4.201 4.320 0.011 0.000 0.218 176 A C 2.318 179.872 177.584 -0.050 0.000 1.188 176 A CA 2.192 54.121 52.037 -0.181 0.000 0.631 176 A CB -0.438 18.482 19.000 -0.134 0.000 0.822 176 A HN 0.411 nan 8.150 nan 0.000 0.447 177 K N -1.006 119.401 120.400 0.013 0.000 2.057 177 K HA -0.140 4.186 4.320 0.011 0.000 0.207 177 K C 2.320 178.953 176.600 0.055 0.000 1.049 177 K CA 1.280 57.683 56.287 0.193 0.000 0.931 177 K CB -0.176 32.501 32.500 0.295 0.000 0.714 177 K HN 0.407 nan 8.250 nan 0.000 0.440 178 Q N 0.442 120.091 119.800 -0.252 0.000 2.084 178 Q HA -0.115 4.232 4.340 0.011 0.000 0.202 178 Q C 2.261 178.122 176.000 -0.232 0.000 0.978 178 Q CA 1.654 57.235 55.803 -0.370 0.000 0.844 178 Q CB -0.433 28.000 28.738 -0.509 0.000 0.898 178 Q HN 0.335 nan 8.270 nan 0.000 0.426 179 A N 0.465 123.147 122.820 -0.229 0.000 1.892 179 A HA -0.216 4.111 4.320 0.011 0.000 0.218 179 A C 1.852 179.481 177.584 0.075 0.000 1.188 179 A CA 1.673 53.544 52.037 -0.277 0.000 0.631 179 A CB -1.098 17.418 19.000 -0.805 0.000 0.822 179 A HN 0.554 nan 8.150 nan 0.000 0.447 180 W N 0.769 122.083 121.300 0.024 0.000 2.354 180 W HA -0.136 4.529 4.660 0.009 0.000 0.315 180 W C 2.409 178.885 176.519 -0.072 0.000 1.206 180 W CA 1.589 58.964 57.345 0.051 0.000 1.290 180 W CB -0.835 28.646 29.460 0.036 0.000 1.152 180 W HN 0.390 nan 8.180 nan 0.000 0.489 181 R N 0.319 120.764 120.500 -0.093 0.000 2.117 181 R HA -0.215 4.132 4.340 0.011 0.000 0.243 181 R C 1.614 177.749 176.300 -0.276 0.000 1.143 181 R CA 1.974 57.790 56.100 -0.473 0.000 0.968 181 R CB -0.531 29.205 30.300 -0.939 0.000 0.863 181 R HN 0.130 nan 8.270 nan 0.000 0.444 182 N N 0.159 118.761 118.700 -0.164 0.000 2.422 182 N HA 0.030 4.776 4.740 0.011 0.000 0.181 182 N C -0.255 175.208 175.510 -0.077 0.000 1.080 182 N CA 0.682 53.659 53.050 -0.123 0.000 0.893 182 N CB 0.300 38.718 38.487 -0.116 0.000 0.973 182 N HN 0.178 nan 8.380 nan 0.000 0.456 183 A N 2.168 124.988 122.820 0.000 0.000 2.526 183 A HA 0.166 4.493 4.320 0.011 0.000 0.267 183 A C -1.294 176.257 177.584 -0.056 0.000 1.095 183 A CA -0.705 51.325 52.037 -0.012 0.000 0.775 183 A CB 0.255 19.284 19.000 0.049 0.000 1.036 183 A HN 0.025 nan 8.150 nan 0.000 0.510 184 P HA -0.040 nan 4.420 nan 0.000 0.226 184 P C 1.024 178.253 177.300 -0.119 0.000 1.153 184 P CA 1.004 64.028 63.100 -0.125 0.000 0.777 184 P CB 0.210 31.800 31.700 -0.184 0.000 0.794 185 R N -2.421 117.972 120.500 -0.178 0.000 2.362 185 R HA 0.175 4.521 4.340 0.011 0.000 0.227 185 R C 0.201 176.473 176.300 -0.047 0.000 0.905 185 R CA -0.117 55.893 56.100 -0.150 0.000 1.067 185 R CB -0.247 29.791 30.300 -0.437 0.000 1.078 185 R HN 0.133 nan 8.270 nan 0.000 0.516 186 C N 0.990 120.260 119.300 -0.050 0.000 2.373 186 C HA 0.198 4.664 4.460 0.011 0.000 0.354 186 C C 1.840 176.770 174.990 -0.100 0.000 1.249 186 C CA -0.565 58.450 59.018 -0.005 0.000 1.784 186 C CB 0.414 28.225 27.740 0.119 0.000 2.408 186 C HN 0.284 nan 8.230 nan 0.000 0.542 187 V N 6.151 125.952 119.914 -0.187 0.000 3.623 187 V HA 0.228 4.355 4.120 0.011 0.000 0.271 187 V C 1.671 177.764 176.094 -0.003 0.000 1.248 187 V CA 1.877 63.954 62.300 -0.372 0.000 1.156 187 V CB -0.122 31.501 31.823 -0.333 0.000 0.870 187 V HN 1.061 nan 8.190 nan 0.000 0.453 188 G N -0.587 108.252 108.800 0.064 0.000 3.434 188 G HA2 0.076 4.043 3.960 0.011 0.000 0.258 188 G HA3 0.076 4.043 3.960 0.011 0.000 0.258 188 G C 1.190 176.111 174.900 0.035 0.000 1.128 188 G CA -0.351 44.811 45.100 0.103 0.000 0.792 188 G HN 0.432 nan 8.290 nan 0.000 0.539 189 R N -0.123 120.311 120.500 -0.110 0.000 2.328 189 R HA 0.121 4.468 4.340 0.011 0.000 0.207 189 R C 1.961 177.891 176.300 -0.617 0.000 1.056 189 R CA 0.187 55.947 56.100 -0.567 0.000 1.016 189 R CB -0.147 29.767 30.300 -0.644 0.000 0.872 189 R HN 0.444 nan 8.270 nan 0.000 0.471 190 I N 0.873 121.256 120.570 -0.312 0.000 2.756 190 I HA -0.226 3.951 4.170 0.011 0.000 0.262 190 I C 1.176 177.221 176.117 -0.119 0.000 1.225 190 I CA 1.196 62.464 61.300 -0.053 0.000 1.472 190 I CB 0.173 38.226 38.000 0.088 0.000 1.094 190 I HN 0.211 nan 8.210 nan 0.000 0.454 191 Q N 0.383 120.035 119.800 -0.246 0.000 2.319 191 Q HA -0.081 4.266 4.340 0.011 0.000 0.202 191 Q C 1.632 177.232 176.000 -0.667 0.000 0.896 191 Q CA 0.289 55.931 55.803 -0.268 0.000 0.942 191 Q CB -0.180 28.552 28.738 -0.009 0.000 1.083 191 Q HN 0.781 nan 8.270 nan 0.000 0.510 192 W N 0.514 121.122 121.300 -1.154 0.000 2.296 192 W HA -0.178 4.490 4.660 0.014 0.000 0.296 192 W C 1.123 177.363 176.519 -0.465 0.000 1.220 192 W CA 1.300 57.849 57.345 -1.326 0.000 1.223 192 W CB -1.296 27.568 29.460 -0.994 0.000 1.139 192 W HN 0.085 nan 8.180 nan 0.000 0.534 193 G N 1.087 109.098 108.800 -1.316 0.000 2.744 193 G HA2 -0.150 3.817 3.960 0.011 0.000 0.211 193 G HA3 -0.150 3.817 3.960 0.011 0.000 0.211 193 G C 1.487 176.128 174.900 -0.433 0.000 1.143 193 G CA 0.206 44.631 45.100 -1.125 0.000 0.788 193 G HN 0.338 nan 8.290 nan 0.000 0.534 194 K N -0.333 119.927 120.400 -0.234 0.000 2.399 194 K HA 0.252 4.578 4.320 0.011 0.000 0.204 194 K C -0.040 176.612 176.600 0.087 0.000 1.023 194 K CA -0.655 55.605 56.287 -0.044 0.000 1.127 194 K CB 0.556 33.060 32.500 0.006 0.000 0.856 194 K HN 0.179 nan 8.250 nan 0.000 0.514 195 L N 2.248 123.579 121.223 0.180 0.000 2.513 195 L HA -0.019 4.328 4.340 0.011 0.000 0.272 195 L C -0.057 176.804 176.870 -0.014 0.000 1.187 195 L CA 0.467 55.424 54.840 0.195 0.000 0.895 195 L CB 0.423 42.682 42.059 0.334 0.000 1.147 195 L HN 0.038 nan 8.230 nan 0.000 0.483 196 Q N 4.038 123.759 119.800 -0.132 0.000 2.349 196 Q HA 0.360 4.707 4.340 0.011 0.000 0.254 196 Q C -1.355 174.271 176.000 -0.624 0.000 0.980 196 Q CA -0.195 55.370 55.803 -0.397 0.000 0.924 196 Q CB 0.915 29.337 28.738 -0.526 0.000 1.209 196 Q HN 0.521 nan 8.270 nan 0.000 0.445 197 V N 6.456 126.066 119.914 -0.507 0.000 2.334 197 V HA 0.314 4.441 4.120 0.011 0.000 0.267 197 V C -0.534 175.266 176.094 -0.490 0.000 1.040 197 V CA -0.442 61.603 62.300 -0.425 0.000 0.866 197 V CB -0.214 31.474 31.823 -0.225 0.000 1.019 197 V HN 0.618 nan 8.190 nan 0.000 0.468 198 F N 2.837 122.635 119.950 -0.254 0.000 2.411 198 F HA 0.330 4.861 4.527 0.006 0.000 0.355 198 F C 0.655 176.264 175.800 -0.317 0.000 1.117 198 F CA -1.002 56.835 58.000 -0.271 0.000 1.139 198 F CB 0.719 39.548 39.000 -0.285 0.000 1.120 198 F HN 0.403 nan 8.300 nan 0.000 0.493 199 D N 3.251 123.603 120.400 -0.079 0.000 2.365 199 D HA 0.388 5.034 4.640 0.011 0.000 0.237 199 D C -0.012 176.120 176.300 -0.281 0.000 1.190 199 D CA 0.077 53.971 54.000 -0.176 0.000 0.867 199 D CB 1.094 41.837 40.800 -0.096 0.000 1.050 199 D HN 0.617 nan 8.370 nan 0.000 0.491 200 A N 4.649 127.168 122.820 -0.503 0.000 2.701 200 A HA 0.170 4.496 4.320 0.011 0.000 0.297 200 A C 1.407 178.791 177.584 -0.333 0.000 1.197 200 A CA -0.428 51.148 52.037 -0.769 0.000 0.963 200 A CB 0.039 18.065 19.000 -1.623 0.000 1.175 200 A HN 0.539 nan 8.150 nan 0.000 0.531 201 R N 0.526 120.925 120.500 -0.169 0.000 2.339 201 R HA -0.062 4.284 4.340 0.011 0.000 0.199 201 R C 0.777 177.075 176.300 -0.003 0.000 1.018 201 R CA 1.125 57.194 56.100 -0.051 0.000 1.036 201 R CB 0.105 30.423 30.300 0.031 0.000 0.899 201 R HN 0.697 nan 8.270 nan 0.000 0.473 202 D N -0.625 119.790 120.400 0.026 0.000 2.327 202 D HA -0.074 4.572 4.640 0.011 0.000 0.205 202 D C 0.544 176.929 176.300 0.142 0.000 0.989 202 D CA -0.229 53.825 54.000 0.090 0.000 0.873 202 D CB -0.621 40.248 40.800 0.116 0.000 0.955 202 D HN -0.032 nan 8.370 nan 0.000 0.515 203 C N 2.171 121.574 119.300 0.171 0.000 2.437 203 C HA 0.188 4.654 4.460 0.011 0.000 0.399 203 C C 1.728 176.868 174.990 0.250 0.000 1.478 203 C CA 0.941 60.114 59.018 0.258 0.000 1.538 203 C CB -0.949 26.965 27.740 0.290 0.000 2.506 203 C HN 0.494 nan 8.230 nan 0.000 0.603 204 S N 2.512 118.389 115.700 0.295 0.000 2.780 204 S HA 0.317 4.794 4.470 0.011 0.000 0.248 204 S C -0.014 174.739 174.600 0.255 0.000 1.036 204 S CA 0.256 58.651 58.200 0.325 0.000 1.061 204 S CB -0.076 63.245 63.200 0.201 0.000 1.037 204 S HN 1.283 nan 8.310 nan 0.000 0.584 205 S N -0.335 115.512 115.700 0.244 0.000 2.570 205 S HA 0.798 5.274 4.470 0.011 0.000 0.270 205 S C 0.796 175.466 174.600 0.116 0.000 1.149 205 S CA -0.279 58.006 58.200 0.141 0.000 0.837 205 S CB 1.050 64.313 63.200 0.105 0.000 1.124 205 S HN 0.492 nan 8.310 nan 0.000 0.465 206 A N 0.964 123.828 122.820 0.075 0.000 1.972 206 A HA -0.087 4.239 4.320 0.011 0.000 0.219 206 A C 2.109 179.677 177.584 -0.027 0.000 1.169 206 A CA 2.224 54.296 52.037 0.057 0.000 0.635 206 A CB -1.144 17.941 19.000 0.142 0.000 0.810 206 A HN 0.939 nan 8.150 nan 0.000 0.446 207 Q N 0.261 120.124 119.800 0.104 0.000 2.046 207 Q HA -0.184 4.163 4.340 0.011 0.000 0.200 207 Q C 1.903 177.875 176.000 -0.047 0.000 0.975 207 Q CA 2.325 58.165 55.803 0.060 0.000 0.836 207 Q CB -0.415 28.441 28.738 0.197 0.000 0.896 207 Q HN 0.736 nan 8.270 nan 0.000 0.428 208 E N -0.675 119.538 120.200 0.022 0.000 2.110 208 E HA -0.186 4.170 4.350 0.011 0.000 0.193 208 E C 1.939 178.575 176.600 0.060 0.000 0.988 208 E CA 1.263 57.679 56.400 0.027 0.000 0.804 208 E CB -0.126 29.636 29.700 0.103 0.000 0.745 208 E HN 0.471 nan 8.360 nan 0.000 0.458 209 M N -0.206 119.407 119.600 0.021 0.000 2.106 209 M HA -0.181 4.305 4.480 0.011 0.000 0.259 209 M C 2.138 178.438 176.300 -0.000 0.000 1.068 209 M CA 1.550 56.806 55.300 -0.073 0.000 1.100 209 M CB -0.369 32.024 32.600 -0.346 0.000 1.351 209 M HN 0.230 nan 8.290 nan 0.000 0.404 210 F N 0.813 120.522 119.950 -0.402 0.000 2.171 210 F HA -0.231 4.304 4.527 0.013 0.000 0.300 210 F C 2.186 177.859 175.800 -0.212 0.000 1.090 210 F CA 1.663 59.381 58.000 -0.471 0.000 1.293 210 F CB -0.092 38.281 39.000 -1.045 0.000 1.013 210 F HN 0.074 nan 8.300 nan 0.000 0.486 211 T N -0.582 113.835 114.554 -0.228 0.000 2.737 211 T HA -0.221 4.135 4.350 0.011 0.000 0.265 211 T C 1.579 176.123 174.700 -0.261 0.000 1.038 211 T CA 1.762 63.677 62.100 -0.308 0.000 1.144 211 T CB -0.850 67.858 68.868 -0.266 0.000 0.866 211 T HN 0.363 nan 8.240 nan 0.000 0.434 212 Y N 1.042 121.304 120.300 -0.064 0.000 2.128 212 Y HA -0.089 4.466 4.550 0.009 0.000 0.284 212 Y C 2.398 178.264 175.900 -0.057 0.000 1.154 212 Y CA 0.850 58.933 58.100 -0.028 0.000 1.149 212 Y CB -0.379 38.197 38.460 0.194 0.000 0.976 212 Y HN 0.121 nan 8.280 nan 0.000 0.505 213 I N -1.330 119.340 120.570 0.167 0.000 2.208 213 I HA -0.383 3.793 4.170 0.011 0.000 0.245 213 I C 2.335 178.391 176.117 -0.102 0.000 1.097 213 I CA 1.032 62.353 61.300 0.035 0.000 1.363 213 I CB -0.497 37.513 38.000 0.016 0.000 1.051 213 I HN 0.357 nan 8.210 nan 0.000 0.413 214 C N 0.581 119.704 119.300 -0.294 0.000 2.440 214 C HA -0.119 4.348 4.460 0.011 0.000 0.278 214 C C 2.596 177.485 174.990 -0.168 0.000 1.295 214 C CA 0.861 59.685 59.018 -0.323 0.000 1.738 214 C CB -1.390 26.013 27.740 -0.562 0.000 1.987 214 C HN 0.540 nan 8.230 nan 0.000 0.492 215 N N -0.132 118.468 118.700 -0.167 0.000 2.142 215 N HA -0.113 4.634 4.740 0.011 0.000 0.186 215 N C 1.428 176.858 175.510 -0.133 0.000 1.023 215 N CA 1.290 54.238 53.050 -0.170 0.000 0.852 215 N CB -0.738 37.596 38.487 -0.256 0.000 0.998 215 N HN 0.743 nan 8.380 nan 0.000 0.424 216 H N 0.509 119.451 119.070 -0.212 0.000 2.290 216 H HA 0.013 4.577 4.556 0.013 0.000 0.298 216 H C 2.016 177.369 175.328 0.042 0.000 1.087 216 H CA 1.805 57.792 56.048 -0.102 0.000 1.291 216 H CB -0.125 29.617 29.762 -0.034 0.000 1.369 216 H HN 0.100 nan 8.280 nan 0.000 0.492 217 I N 0.640 121.364 120.570 0.256 0.000 2.208 217 I HA -0.280 3.896 4.170 0.011 0.000 0.245 217 I C 2.423 178.618 176.117 0.129 0.000 1.097 217 I CA 1.361 62.767 61.300 0.176 0.000 1.363 217 I CB -0.275 37.749 38.000 0.041 0.000 1.051 217 I HN 0.350 nan 8.210 nan 0.000 0.413 218 K N 0.056 120.502 120.400 0.077 0.000 2.002 218 K HA -0.232 4.094 4.320 0.011 0.000 0.209 218 K C 2.270 178.933 176.600 0.106 0.000 1.048 218 K CA 1.794 58.116 56.287 0.058 0.000 0.930 218 K CB -0.504 32.005 32.500 0.014 0.000 0.714 218 K HN 0.249 nan 8.250 nan 0.000 0.438 219 Y N 1.507 121.812 120.300 0.008 0.000 2.145 219 Y HA -0.210 4.343 4.550 0.005 0.000 0.286 219 Y C 2.194 178.150 175.900 0.094 0.000 1.145 219 Y CA 1.432 59.567 58.100 0.060 0.000 1.148 219 Y CB -0.381 38.145 38.460 0.110 0.000 0.981 219 Y HN 0.062 nan 8.280 nan 0.000 0.507 220 A N -0.729 122.308 122.820 0.362 0.000 1.898 220 A HA -0.146 4.180 4.320 0.011 0.000 0.216 220 A C 2.209 179.886 177.584 0.155 0.000 1.181 220 A CA 2.170 54.369 52.037 0.270 0.000 0.620 220 A CB -1.277 17.895 19.000 0.286 0.000 0.819 220 A HN 0.511 nan 8.150 nan 0.000 0.442 221 T N -0.189 114.443 114.554 0.131 0.000 2.737 221 T HA -0.116 4.241 4.350 0.011 0.000 0.265 221 T C 1.138 175.863 174.700 0.040 0.000 1.038 221 T CA 1.331 63.489 62.100 0.098 0.000 1.144 221 T CB -0.404 68.513 68.868 0.081 0.000 0.866 221 T HN 0.631 nan 8.240 nan 0.000 0.434 222 N N 0.941 119.636 118.700 -0.007 0.000 2.716 222 N HA -0.248 4.498 4.740 0.011 0.000 0.250 222 N C -0.251 175.237 175.510 -0.037 0.000 1.033 222 N CA 0.642 53.655 53.050 -0.062 0.000 0.727 222 N CB -1.337 37.073 38.487 -0.127 0.000 0.950 222 N HN 0.516 nan 8.380 nan 0.000 0.541 223 R N -2.413 118.077 120.500 -0.015 0.000 3.525 223 R HA -0.193 4.154 4.340 0.011 0.000 0.276 223 R C 1.226 177.514 176.300 -0.020 0.000 1.116 223 R CA 1.243 57.333 56.100 -0.017 0.000 0.745 223 R CB -1.852 28.433 30.300 -0.025 0.000 1.185 223 R HN 0.956 nan 8.270 nan 0.000 0.454 224 G N -0.495 108.301 108.800 -0.005 0.000 2.232 224 G HA2 -0.334 3.633 3.960 0.011 0.000 0.226 224 G HA3 -0.334 3.633 3.960 0.011 0.000 0.226 224 G C -0.057 174.836 174.900 -0.012 0.000 0.996 224 G CA 0.103 45.198 45.100 -0.009 0.000 0.626 224 G HN 0.403 nan 8.290 nan 0.000 0.509 225 N N 1.175 119.858 118.700 -0.027 0.000 3.234 225 N HA 0.508 5.255 4.740 0.011 0.000 0.272 225 N C 0.416 175.910 175.510 -0.026 0.000 1.254 225 N CA -0.542 52.477 53.050 -0.053 0.000 1.087 225 N CB -0.205 38.242 38.487 -0.066 0.000 1.356 225 N HN 0.221 nan 8.380 nan 0.000 0.511 226 L N 1.584 122.826 121.223 0.032 0.000 2.529 226 L HA 0.075 4.422 4.340 0.011 0.000 0.287 226 L C 0.821 177.838 176.870 0.246 0.000 1.241 226 L CA 1.045 55.983 54.840 0.163 0.000 0.857 226 L CB 0.179 42.430 42.059 0.319 0.000 1.113 226 L HN 0.345 nan 8.230 nan 0.000 0.504 227 R N 1.186 121.843 120.500 0.262 0.000 2.575 227 R HA 0.445 4.791 4.340 0.011 0.000 0.293 227 R C -0.749 175.723 176.300 0.287 0.000 0.983 227 R CA -0.710 55.566 56.100 0.292 0.000 0.887 227 R CB 1.705 32.073 30.300 0.113 0.000 1.184 227 R HN 0.568 nan 8.270 nan 0.000 0.445 228 S N 1.425 117.271 115.700 0.243 0.000 2.549 228 S HA 0.474 4.951 4.470 0.011 0.000 0.283 228 S C -0.189 174.423 174.600 0.021 0.000 1.320 228 S CA -0.160 58.065 58.200 0.042 0.000 1.058 228 S CB 1.163 64.361 63.200 -0.004 0.000 0.882 228 S HN 0.709 nan 8.310 nan 0.000 0.498 229 A N 2.480 125.256 122.820 -0.074 0.000 2.610 229 A HA 0.828 5.155 4.320 0.011 0.000 0.291 229 A C -1.373 176.154 177.584 -0.094 0.000 1.086 229 A CA -0.687 51.233 52.037 -0.195 0.000 0.677 229 A CB 1.179 20.008 19.000 -0.286 0.000 1.278 229 A HN 0.814 nan 8.150 nan 0.000 0.414 230 I N 0.348 120.858 120.570 -0.100 0.000 2.692 230 I HA 0.581 4.758 4.170 0.011 0.000 0.293 230 I C -1.320 174.835 176.117 0.064 0.000 1.200 230 I CA -0.105 61.266 61.300 0.118 0.000 1.036 230 I CB 2.350 40.392 38.000 0.070 0.000 1.258 230 I HN 0.599 nan 8.210 nan 0.000 0.421 231 T N 6.539 121.165 114.554 0.120 0.000 2.772 231 T HA 0.405 4.761 4.350 0.011 0.000 0.288 231 T C -0.542 173.876 174.700 -0.470 0.000 0.994 231 T CA -0.340 61.661 62.100 -0.165 0.000 0.951 231 T CB 1.363 70.103 68.868 -0.213 0.000 0.933 231 T HN 0.274 nan 8.240 nan 0.000 0.447 232 V N 5.440 125.052 119.914 -0.503 0.000 2.348 232 V HA 0.413 4.540 4.120 0.011 0.000 0.270 232 V C -0.284 175.506 176.094 -0.507 0.000 1.037 232 V CA -0.691 61.325 62.300 -0.474 0.000 0.872 232 V CB -0.420 31.088 31.823 -0.524 0.000 1.002 232 V HN 0.685 nan 8.190 nan 0.000 0.464 233 F N 5.322 125.178 119.950 -0.157 0.000 2.368 233 F HA 0.498 5.033 4.527 0.012 0.000 0.315 233 F C -1.748 173.937 175.800 -0.192 0.000 1.145 233 F CA -2.630 55.198 58.000 -0.286 0.000 1.095 233 F CB 0.096 38.910 39.000 -0.309 0.000 1.286 233 F HN 0.293 nan 8.300 nan 0.000 0.530 234 P HA -0.067 nan 4.420 nan 0.000 0.263 234 P C -0.869 176.456 177.300 0.042 0.000 1.168 234 P CA 0.182 63.200 63.100 -0.137 0.000 0.759 234 P CB 0.158 31.638 31.700 -0.367 0.000 0.782 235 Q N 3.446 123.202 119.800 -0.073 0.000 2.500 235 Q HA 0.216 4.562 4.340 0.011 0.000 0.215 235 Q C -0.182 175.722 176.000 -0.160 0.000 1.062 235 Q CA -0.511 55.035 55.803 -0.428 0.000 0.996 235 Q CB 0.587 28.759 28.738 -0.942 0.000 1.239 235 Q HN 0.317 nan 8.270 nan 0.000 0.578 236 R N -0.213 120.166 120.500 -0.201 0.000 2.491 236 R HA 0.402 4.748 4.340 0.011 0.000 0.283 236 R C -0.817 175.427 176.300 -0.093 0.000 1.072 236 R CA 0.219 56.269 56.100 -0.084 0.000 1.048 236 R CB 0.767 31.011 30.300 -0.094 0.000 0.983 236 R HN 0.678 nan 8.270 nan 0.000 0.450 237 A N 5.038 127.842 122.820 -0.027 0.000 2.343 237 A HA 0.469 4.796 4.320 0.011 0.000 0.316 237 A C -2.383 175.192 177.584 -0.015 0.000 1.104 237 A CA -2.041 49.983 52.037 -0.022 0.000 0.768 237 A CB 1.161 20.176 19.000 0.025 0.000 1.213 237 A HN 0.431 nan 8.150 nan 0.000 0.456 238 P HA 0.144 nan 4.420 nan 0.000 0.259 238 P C 1.284 178.584 177.300 -0.001 0.000 1.163 238 P CA 2.382 65.475 63.100 -0.012 0.000 0.760 238 P CB 0.467 32.163 31.700 -0.007 0.000 0.762 239 G N 2.736 111.535 108.800 -0.002 0.000 2.708 239 G HA2 -0.344 3.623 3.960 0.011 0.000 0.229 239 G HA3 -0.344 3.623 3.960 0.011 0.000 0.229 239 G C 0.656 175.557 174.900 0.002 0.000 1.236 239 G CA 0.176 45.277 45.100 0.002 0.000 0.749 239 G HN 0.745 nan 8.290 nan 0.000 0.515 240 R N 2.104 122.607 120.500 0.004 0.000 2.784 240 R HA 0.430 4.777 4.340 0.011 0.000 0.266 240 R C 1.158 177.454 176.300 -0.006 0.000 1.044 240 R CA 0.530 56.630 56.100 0.001 0.000 1.151 240 R CB -0.177 30.130 30.300 0.012 0.000 1.037 240 R HN 0.543 nan 8.270 nan 0.000 0.478 241 G N 1.613 110.399 108.800 -0.024 0.000 2.503 241 G HA2 0.085 4.051 3.960 0.011 0.000 0.257 241 G HA3 0.085 4.051 3.960 0.011 0.000 0.257 241 G C -0.738 174.139 174.900 -0.038 0.000 1.214 241 G CA -0.591 44.492 45.100 -0.029 0.000 0.839 241 G HN 0.627 nan 8.290 nan 0.000 0.559 242 D N -0.308 120.090 120.400 -0.002 0.000 2.354 242 D HA 0.285 4.931 4.640 0.011 0.000 0.247 242 D C -0.252 176.067 176.300 0.032 0.000 1.138 242 D CA 0.192 54.225 54.000 0.054 0.000 0.958 242 D CB 0.917 41.762 40.800 0.074 0.000 1.144 242 D HN 0.110 nan 8.370 nan 0.000 0.458 243 F N 0.883 120.866 119.950 0.054 0.000 2.396 243 F HA 0.354 4.888 4.527 0.012 0.000 0.343 243 F C 0.986 176.832 175.800 0.077 0.000 1.104 243 F CA -0.024 58.002 58.000 0.043 0.000 1.161 243 F CB 0.792 39.813 39.000 0.036 0.000 1.146 243 F HN -0.192 nan 8.300 nan 0.000 0.522 244 R N 3.558 124.204 120.500 0.243 0.000 2.668 244 R HA 0.508 4.855 4.340 0.011 0.000 0.272 244 R C -1.394 175.077 176.300 0.285 0.000 1.019 244 R CA -0.790 55.468 56.100 0.263 0.000 0.894 244 R CB 2.176 32.655 30.300 0.298 0.000 1.228 244 R HN 0.623 nan 8.270 nan 0.000 0.460 245 I N 2.185 122.918 120.570 0.273 0.000 2.359 245 I HA 0.152 4.328 4.170 0.011 0.000 0.284 245 I C 0.485 176.821 176.117 0.364 0.000 1.018 245 I CA -0.498 60.955 61.300 0.255 0.000 1.173 245 I CB 1.081 39.179 38.000 0.162 0.000 1.326 245 I HN 0.524 nan 8.210 nan 0.000 0.462 246 W N 3.478 124.841 121.300 0.106 0.000 2.342 246 W HA -0.148 4.519 4.660 0.010 0.000 0.297 246 W C 1.045 177.694 176.519 0.217 0.000 1.213 246 W CA 0.348 57.826 57.345 0.222 0.000 1.251 246 W CB -0.902 28.673 29.460 0.192 0.000 1.136 246 W HN 0.415 nan 8.180 nan 0.000 0.526 247 N N 0.091 118.974 118.700 0.305 0.000 2.441 247 N HA 0.002 4.749 4.740 0.011 0.000 0.251 247 N C 1.308 176.895 175.510 0.128 0.000 1.242 247 N CA 0.910 54.057 53.050 0.161 0.000 0.898 247 N CB 0.611 39.129 38.487 0.052 0.000 1.100 247 N HN -0.085 nan 8.380 nan 0.000 0.443 248 S N 0.590 116.353 115.700 0.105 0.000 2.428 248 S HA -0.045 4.431 4.470 0.011 0.000 0.230 248 S C 0.339 174.943 174.600 0.006 0.000 1.014 248 S CA 0.704 58.951 58.200 0.079 0.000 0.957 248 S CB 0.050 63.313 63.200 0.106 0.000 0.784 248 S HN 0.651 nan 8.310 nan 0.000 0.499 249 Q N -0.782 119.002 119.800 -0.027 0.000 2.416 249 Q HA 0.497 4.843 4.340 0.011 0.000 0.281 249 Q C 0.180 176.095 176.000 -0.141 0.000 1.067 249 Q CA -0.549 55.192 55.803 -0.104 0.000 0.809 249 Q CB 1.949 30.641 28.738 -0.076 0.000 1.418 249 Q HN 0.104 nan 8.270 nan 0.000 0.411 250 L N 0.126 121.238 121.223 -0.186 0.000 2.131 250 L HA -0.004 4.343 4.340 0.011 0.000 0.210 250 L C 0.390 177.121 176.870 -0.232 0.000 1.092 250 L CA 0.919 55.653 54.840 -0.176 0.000 0.759 250 L CB 0.087 42.027 42.059 -0.198 0.000 0.903 250 L HN 0.258 nan 8.230 nan 0.000 0.435 251 V N 0.861 120.554 119.914 -0.369 0.000 2.444 251 V HA 0.484 4.610 4.120 0.011 0.000 0.294 251 V C -0.282 175.314 176.094 -0.829 0.000 1.022 251 V CA -0.660 61.261 62.300 -0.632 0.000 0.850 251 V CB 1.744 33.052 31.823 -0.860 0.000 0.992 251 V HN 0.184 nan 8.190 nan 0.000 0.426 252 R N 2.868 123.004 120.500 -0.607 0.000 2.643 252 R HA 0.498 4.844 4.340 0.011 0.000 0.269 252 R C -1.847 174.280 176.300 -0.287 0.000 1.037 252 R CA -0.821 55.040 56.100 -0.398 0.000 0.894 252 R CB 2.451 32.667 30.300 -0.138 0.000 1.238 252 R HN 0.542 nan 8.270 nan 0.000 0.459 253 Y N 0.334 120.629 120.300 -0.008 0.000 2.335 253 Y HA 0.455 5.011 4.550 0.011 0.000 0.323 253 Y C 0.947 176.813 175.900 -0.057 0.000 1.224 253 Y CA -0.639 57.463 58.100 0.003 0.000 1.241 253 Y CB 1.049 39.569 38.460 0.100 0.000 1.235 253 Y HN 0.694 nan 8.280 nan 0.000 0.492 254 A N 1.125 123.977 122.820 0.054 0.000 2.445 254 A HA 0.538 4.865 4.320 0.011 0.000 0.242 254 A C 0.563 177.913 177.584 -0.389 0.000 1.075 254 A CA 0.263 52.163 52.037 -0.228 0.000 0.777 254 A CB -0.313 18.445 19.000 -0.403 0.000 1.013 254 A HN 0.947 nan 8.150 nan 0.000 0.493 255 G N 0.918 109.496 108.800 -0.370 0.000 2.938 255 G HA2 0.525 4.492 3.960 0.011 0.000 0.308 255 G HA3 0.525 4.492 3.960 0.011 0.000 0.308 255 G C -0.882 173.903 174.900 -0.191 0.000 1.422 255 G CA -0.263 44.681 45.100 -0.261 0.000 1.071 255 G HN 0.584 nan 8.290 nan 0.000 0.530 256 Y N 1.747 122.062 120.300 0.025 0.000 2.383 256 Y HA 0.403 4.959 4.550 0.011 0.000 0.344 256 Y C 1.008 176.908 175.900 -0.001 0.000 0.986 256 Y CA -1.138 56.975 58.100 0.021 0.000 1.175 256 Y CB 1.234 39.701 38.460 0.012 0.000 1.152 256 Y HN 0.384 nan 8.280 nan 0.000 0.511 257 R N 3.110 123.706 120.500 0.159 0.000 2.442 257 R HA 0.091 4.437 4.340 0.011 0.000 0.291 257 R C -0.276 176.066 176.300 0.070 0.000 1.069 257 R CA -0.016 56.134 56.100 0.084 0.000 1.022 257 R CB 0.303 30.640 30.300 0.061 0.000 0.976 257 R HN 0.578 nan 8.270 nan 0.000 0.443 258 Q N 2.368 122.194 119.800 0.044 0.000 2.166 258 Q HA 0.127 4.474 4.340 0.011 0.000 0.226 258 Q C 0.706 176.713 176.000 0.012 0.000 0.989 258 Q CA -0.499 55.319 55.803 0.025 0.000 0.966 258 Q CB 0.692 29.442 28.738 0.020 0.000 1.173 258 Q HN 0.577 nan 8.270 nan 0.000 0.509 259 Q N 0.618 120.419 119.800 0.002 0.000 2.016 259 Q HA -0.186 4.160 4.340 0.011 0.000 0.200 259 Q C 1.325 177.325 176.000 0.001 0.000 0.978 259 Q CA 2.114 57.916 55.803 -0.002 0.000 0.833 259 Q CB -0.230 28.503 28.738 -0.008 0.000 0.895 259 Q HN 0.732 nan 8.270 nan 0.000 0.427 260 D N -1.586 118.814 120.400 0.001 0.000 2.309 260 D HA -0.039 4.608 4.640 0.011 0.000 0.212 260 D C 1.105 177.408 176.300 0.006 0.000 0.968 260 D CA 1.216 55.217 54.000 0.002 0.000 0.882 260 D CB -0.171 40.630 40.800 0.002 0.000 0.918 260 D HN 0.371 nan 8.370 nan 0.000 0.503 261 G N -0.611 108.194 108.800 0.008 0.000 2.255 261 G HA2 -0.241 3.725 3.960 0.011 0.000 0.196 261 G HA3 -0.241 3.725 3.960 0.011 0.000 0.196 261 G C 0.568 175.476 174.900 0.013 0.000 0.998 261 G CA 0.190 45.297 45.100 0.011 0.000 0.656 261 G HN 0.777 nan 8.290 nan 0.000 0.490 262 S N -0.666 115.040 115.700 0.011 0.000 2.634 262 S HA 0.691 5.168 4.470 0.011 0.000 0.254 262 S C 0.164 174.770 174.600 0.009 0.000 1.299 262 S CA 0.258 58.463 58.200 0.008 0.000 0.974 262 S CB 1.879 65.082 63.200 0.004 0.000 1.001 262 S HN 1.156 nan 8.310 nan 0.000 0.584 263 V N 0.777 120.687 119.914 -0.005 0.000 2.638 263 V HA 0.548 4.675 4.120 0.011 0.000 0.306 263 V C -0.118 175.954 176.094 -0.037 0.000 1.052 263 V CA -0.816 61.477 62.300 -0.012 0.000 0.885 263 V CB 1.656 33.457 31.823 -0.037 0.000 0.999 263 V HN 0.928 nan 8.190 nan 0.000 0.424 264 R N 2.587 123.091 120.500 0.008 0.000 2.294 264 R HA 0.693 5.040 4.340 0.011 0.000 0.319 264 R C 0.553 176.793 176.300 -0.099 0.000 0.984 264 R CA 0.887 56.987 56.100 0.000 0.000 0.861 264 R CB 1.126 31.501 30.300 0.126 0.000 1.104 264 R HN 1.217 nan 8.270 nan 0.000 0.451 265 G N 2.963 111.613 108.800 -0.249 0.000 2.464 265 G HA2 -0.240 3.726 3.960 0.011 0.000 0.216 265 G HA3 -0.240 3.726 3.960 0.011 0.000 0.216 265 G C -1.343 173.180 174.900 -0.629 0.000 1.186 265 G CA -0.096 44.780 45.100 -0.373 0.000 1.010 265 G HN 0.620 nan 8.290 nan 0.000 0.585 266 D N 1.689 121.874 120.400 -0.359 0.000 2.412 266 D HA 0.581 5.228 4.640 0.011 0.000 0.224 266 D C -1.067 175.148 176.300 -0.142 0.000 1.093 266 D CA -1.995 51.828 54.000 -0.295 0.000 0.850 266 D CB 1.508 42.429 40.800 0.202 0.000 1.046 266 D HN -0.021 nan 8.370 nan 0.000 0.507 267 P HA -0.148 nan 4.420 nan 0.000 0.218 267 P C 0.978 178.292 177.300 0.023 0.000 1.146 267 P CA 1.142 64.211 63.100 -0.052 0.000 0.813 267 P CB 0.280 31.960 31.700 -0.034 0.000 0.778 268 A N -0.289 122.568 122.820 0.062 0.000 1.972 268 A HA -0.160 4.167 4.320 0.011 0.000 0.219 268 A C 1.564 179.206 177.584 0.096 0.000 1.169 268 A CA 1.483 53.587 52.037 0.112 0.000 0.635 268 A CB -0.970 18.127 19.000 0.162 0.000 0.810 268 A HN 0.188 nan 8.150 nan 0.000 0.446 269 N N 0.005 118.747 118.700 0.071 0.000 2.376 269 N HA 0.175 4.922 4.740 0.011 0.000 0.249 269 N C 0.934 176.452 175.510 0.013 0.000 1.140 269 N CA 0.118 53.198 53.050 0.049 0.000 0.870 269 N CB 0.742 39.256 38.487 0.045 0.000 1.124 269 N HN 0.223 nan 8.380 nan 0.000 0.505 270 V N 0.729 120.654 119.914 0.019 0.000 2.307 270 V HA -0.224 3.902 4.120 0.011 0.000 0.245 270 V C 2.477 178.581 176.094 0.016 0.000 1.045 270 V CA 1.760 64.069 62.300 0.016 0.000 1.024 270 V CB -0.252 31.585 31.823 0.025 0.000 0.651 270 V HN 0.383 nan 8.190 nan 0.000 0.449 271 E N 0.070 120.278 120.200 0.013 0.000 2.031 271 E HA -0.265 4.091 4.350 0.011 0.000 0.193 271 E C 2.100 178.630 176.600 -0.116 0.000 0.994 271 E CA 1.823 58.201 56.400 -0.037 0.000 0.800 271 E CB -0.254 29.450 29.700 0.007 0.000 0.752 271 E HN 0.460 nan 8.360 nan 0.000 0.447 272 I N 0.792 121.308 120.570 -0.090 0.000 2.454 272 I HA -0.188 3.989 4.170 0.011 0.000 0.254 272 I C 1.906 177.995 176.117 -0.047 0.000 1.156 272 I CA 1.455 62.690 61.300 -0.109 0.000 1.433 272 I CB -0.247 37.740 38.000 -0.021 0.000 1.082 272 I HN 0.136 nan 8.210 nan 0.000 0.432 273 T N 0.194 114.748 114.554 -0.000 0.000 2.812 273 T HA -0.113 4.244 4.350 0.011 0.000 0.264 273 T C 1.662 176.456 174.700 0.157 0.000 1.042 273 T CA 1.525 63.679 62.100 0.090 0.000 1.140 273 T CB -0.218 68.708 68.868 0.097 0.000 0.870 273 T HN 0.459 nan 8.240 nan 0.000 0.445 274 E N 0.785 121.037 120.200 0.085 0.000 2.268 274 E HA 0.023 4.379 4.350 0.011 0.000 0.195 274 E C 2.042 178.677 176.600 0.058 0.000 0.995 274 E CA 0.526 56.972 56.400 0.077 0.000 0.836 274 E CB -0.181 29.538 29.700 0.032 0.000 0.763 274 E HN 0.416 nan 8.360 nan 0.000 0.491 275 L N 0.043 121.275 121.223 0.016 0.000 2.095 275 L HA -0.132 4.214 4.340 0.011 0.000 0.204 275 L C 2.397 179.385 176.870 0.198 0.000 1.080 275 L CA 0.543 55.427 54.840 0.073 0.000 0.759 275 L CB -0.179 41.838 42.059 -0.070 0.000 0.914 275 L HN 0.292 nan 8.230 nan 0.000 0.439 276 C N -0.101 119.276 119.300 0.129 0.000 2.425 276 C HA -0.126 4.340 4.460 0.011 0.000 0.277 276 C C 2.687 177.859 174.990 0.304 0.000 1.280 276 C CA 0.371 59.479 59.018 0.150 0.000 1.744 276 C CB -0.608 27.133 27.740 0.001 0.000 1.989 276 C HN 0.413 nan 8.230 nan 0.000 0.491 277 I N 0.553 121.307 120.570 0.307 0.000 2.163 277 I HA -0.246 3.931 4.170 0.011 0.000 0.240 277 I C 2.530 178.706 176.117 0.098 0.000 1.081 277 I CA 1.540 62.974 61.300 0.223 0.000 1.353 277 I CB -0.661 37.438 38.000 0.166 0.000 1.054 277 I HN 0.409 nan 8.210 nan 0.000 0.407 278 Q N -0.132 119.698 119.800 0.050 0.000 2.515 278 Q HA -0.170 4.177 4.340 0.011 0.000 0.215 278 Q C 0.934 176.783 176.000 -0.252 0.000 0.983 278 Q CA 0.815 56.565 55.803 -0.089 0.000 0.905 278 Q CB -0.076 28.594 28.738 -0.114 0.000 0.961 278 Q HN 0.606 nan 8.270 nan 0.000 0.503 279 H N -1.731 117.340 119.070 0.001 0.000 2.528 279 H HA 0.221 4.784 4.556 0.011 0.000 0.282 279 H C 0.843 176.154 175.328 -0.028 0.000 1.097 279 H CA 0.630 56.652 56.048 -0.043 0.000 1.121 279 H CB 1.311 31.009 29.762 -0.107 0.000 1.590 279 H HN 0.391 nan 8.280 nan 0.000 0.553 280 G N 0.854 109.695 108.800 0.068 0.000 2.148 280 G HA2 -0.232 3.734 3.960 0.011 0.000 0.203 280 G HA3 -0.232 3.734 3.960 0.011 0.000 0.203 280 G C -0.278 174.695 174.900 0.122 0.000 0.993 280 G CA -0.113 45.017 45.100 0.051 0.000 0.661 280 G HN 0.334 nan 8.290 nan 0.000 0.518 281 W N 2.429 123.714 121.300 -0.025 0.000 2.322 281 W HA 0.668 5.335 4.660 0.011 0.000 0.307 281 W C 0.243 176.757 176.519 -0.008 0.000 1.220 281 W CA -0.232 57.103 57.345 -0.017 0.000 1.210 281 W CB 0.977 30.439 29.460 0.004 0.000 1.223 281 W HN 0.026 nan 8.180 nan 0.000 0.511 282 T N 9.793 124.024 114.554 -0.539 0.000 2.782 282 T HA 0.156 4.513 4.350 0.011 0.000 0.298 282 T C -1.985 172.031 174.700 -1.139 0.000 0.944 282 T CA -0.825 60.924 62.100 -0.585 0.000 1.001 282 T CB 0.114 68.778 68.868 -0.340 0.000 0.932 282 T HN 0.238 nan 8.240 nan 0.000 0.524 283 P HA 0.243 nan 4.420 nan 0.000 0.270 283 P C 0.432 177.316 177.300 -0.692 0.000 1.223 283 P CA -0.193 62.201 63.100 -1.177 0.000 0.785 283 P CB 0.869 32.234 31.700 -0.558 0.000 0.923 284 G N 0.621 109.154 108.800 -0.445 0.000 2.736 284 G HA2 0.350 4.317 3.960 0.011 0.000 0.229 284 G HA3 0.350 4.317 3.960 0.011 0.000 0.229 284 G C 0.037 174.681 174.900 -0.427 0.000 1.380 284 G CA -0.666 44.305 45.100 -0.215 0.000 1.040 284 G HN 0.770 nan 8.290 nan 0.000 0.568 285 N N -1.448 117.136 118.700 -0.194 0.000 2.381 285 N HA 0.229 4.976 4.740 0.011 0.000 0.257 285 N C 0.454 176.017 175.510 0.088 0.000 1.409 285 N CA -0.437 52.450 53.050 -0.273 0.000 0.836 285 N CB 0.824 39.167 38.487 -0.240 0.000 1.384 285 N HN 0.652 nan 8.380 nan 0.000 0.490 286 G N 0.724 109.688 108.800 0.274 0.000 2.522 286 G HA2 0.198 4.165 3.960 0.011 0.000 0.304 286 G HA3 0.198 4.165 3.960 0.011 0.000 0.304 286 G C 0.280 175.288 174.900 0.180 0.000 1.210 286 G CA -0.681 44.546 45.100 0.211 0.000 0.960 286 G HN 0.223 nan 8.290 nan 0.000 0.497 287 R N -1.277 119.230 120.500 0.011 0.000 2.300 287 R HA 0.244 4.591 4.340 0.011 0.000 0.199 287 R C -0.179 175.678 176.300 -0.740 0.000 0.920 287 R CA 0.347 56.269 56.100 -0.297 0.000 1.046 287 R CB 0.013 30.113 30.300 -0.333 0.000 0.984 287 R HN 0.376 nan 8.270 nan 0.000 0.493 288 F N 0.668 120.549 119.950 -0.116 0.000 2.576 288 F HA 0.306 4.840 4.527 0.011 0.000 0.365 288 F C -1.005 174.678 175.800 -0.194 0.000 1.506 288 F CA -1.141 56.529 58.000 -0.549 0.000 1.113 288 F CB 0.785 39.345 39.000 -0.734 0.000 1.293 288 F HN -0.197 nan 8.300 nan 0.000 0.540 289 D N 1.587 122.100 120.400 0.189 0.000 2.277 289 D HA 0.232 4.878 4.640 0.011 0.000 0.249 289 D C 0.163 176.698 176.300 0.391 0.000 1.134 289 D CA -0.026 54.172 54.000 0.330 0.000 0.863 289 D CB 2.558 43.613 40.800 0.425 0.000 1.143 289 D HN -0.072 nan 8.370 nan 0.000 0.458 290 V N 3.569 123.685 119.914 0.337 0.000 2.521 290 V HA 0.021 4.148 4.120 0.011 0.000 0.286 290 V C 0.950 177.039 176.094 -0.008 0.000 1.034 290 V CA -0.342 62.053 62.300 0.158 0.000 1.045 290 V CB 0.239 32.117 31.823 0.091 0.000 0.974 290 V HN 0.338 nan 8.190 nan 0.000 0.480 291 L N 8.505 129.632 121.223 -0.160 0.000 2.439 291 L HA 0.312 4.658 4.340 0.011 0.000 0.269 291 L C -1.620 174.997 176.870 -0.421 0.000 1.179 291 L CA -1.249 53.340 54.840 -0.419 0.000 0.828 291 L CB 0.779 42.634 42.059 -0.340 0.000 1.106 291 L HN 0.490 nan 8.230 nan 0.000 0.467 292 P HA 0.232 nan 4.420 nan 0.000 0.276 292 P C -1.117 176.020 177.300 -0.272 0.000 1.261 292 P CA -0.504 62.333 63.100 -0.439 0.000 0.800 292 P CB 1.022 32.319 31.700 -0.671 0.000 1.066 293 L N 0.881 122.038 121.223 -0.111 0.000 2.325 293 L HA 0.414 4.761 4.340 0.011 0.000 0.279 293 L C 0.472 177.319 176.870 -0.038 0.000 1.054 293 L CA -0.798 54.025 54.840 -0.029 0.000 0.804 293 L CB 0.745 42.857 42.059 0.089 0.000 1.200 293 L HN 0.209 nan 8.230 nan 0.000 0.436 294 L N 4.951 126.142 121.223 -0.054 0.000 2.313 294 L HA 0.445 4.792 4.340 0.011 0.000 0.273 294 L C -0.705 176.083 176.870 -0.136 0.000 1.028 294 L CA -0.261 54.465 54.840 -0.191 0.000 0.871 294 L CB 0.818 42.704 42.059 -0.289 0.000 1.242 294 L HN 0.446 nan 8.230 nan 0.000 0.434 295 L N 3.677 124.862 121.223 -0.064 0.000 2.295 295 L HA 0.488 4.834 4.340 0.011 0.000 0.285 295 L C -0.142 176.671 176.870 -0.095 0.000 1.035 295 L CA -0.327 54.499 54.840 -0.023 0.000 0.806 295 L CB 1.629 43.694 42.059 0.010 0.000 1.214 295 L HN 0.547 nan 8.230 nan 0.000 0.426 296 Q N 2.881 122.651 119.800 -0.050 0.000 2.320 296 Q HA 0.647 4.994 4.340 0.011 0.000 0.268 296 Q C -1.050 174.891 176.000 -0.098 0.000 1.023 296 Q CA -0.563 55.200 55.803 -0.067 0.000 0.744 296 Q CB 2.016 30.779 28.738 0.041 0.000 1.246 296 Q HN 0.791 nan 8.270 nan 0.000 0.462 297 A N 4.883 127.594 122.820 -0.182 0.000 2.287 297 A HA 0.605 4.932 4.320 0.011 0.000 0.273 297 A C -2.376 174.930 177.584 -0.465 0.000 1.091 297 A CA -1.467 50.302 52.037 -0.447 0.000 0.817 297 A CB -0.046 18.797 19.000 -0.261 0.000 1.069 297 A HN 0.654 nan 8.150 nan 0.000 0.492 298 P HA 0.054 nan 4.420 nan 0.000 0.262 298 P C -0.596 176.596 177.300 -0.179 0.000 1.182 298 P CA 0.759 63.632 63.100 -0.378 0.000 0.761 298 P CB 0.151 31.630 31.700 -0.368 0.000 0.795 299 D N 0.157 120.499 120.400 -0.098 0.000 2.983 299 D HA -0.186 4.460 4.640 0.011 0.000 0.225 299 D C -0.142 176.138 176.300 -0.033 0.000 1.174 299 D CA 1.312 55.286 54.000 -0.043 0.000 0.831 299 D CB -0.695 40.084 40.800 -0.035 0.000 1.104 299 D HN 0.573 nan 8.370 nan 0.000 0.421 300 E N -0.625 119.547 120.200 -0.047 0.000 2.320 300 E HA 0.694 5.051 4.350 0.011 0.000 0.264 300 E C -0.174 176.412 176.600 -0.024 0.000 0.923 300 E CA -0.905 55.473 56.400 -0.037 0.000 0.796 300 E CB 1.657 31.321 29.700 -0.061 0.000 1.262 300 E HN 0.110 nan 8.360 nan 0.000 0.428 301 A N 2.332 125.136 122.820 -0.027 0.000 2.340 301 A HA 0.397 4.723 4.320 0.011 0.000 0.268 301 A C -2.100 175.384 177.584 -0.167 0.000 1.100 301 A CA -1.204 50.808 52.037 -0.042 0.000 0.803 301 A CB -0.266 18.736 19.000 0.002 0.000 1.043 301 A HN 0.341 nan 8.150 nan 0.000 0.488 302 P HA 0.112 nan 4.420 nan 0.000 0.267 302 P C -0.572 176.491 177.300 -0.395 0.000 1.200 302 P CA 0.312 63.081 63.100 -0.551 0.000 0.772 302 P CB 0.667 31.601 31.700 -1.277 0.000 0.855 303 E N 0.715 120.760 120.200 -0.258 0.000 2.212 303 E HA 0.448 4.805 4.350 0.011 0.000 0.270 303 E C -0.781 175.612 176.600 -0.344 0.000 0.956 303 E CA -1.051 55.190 56.400 -0.264 0.000 0.825 303 E CB 1.184 30.778 29.700 -0.177 0.000 1.167 303 E HN 0.262 nan 8.360 nan 0.000 0.400 304 L N 2.708 123.631 121.223 -0.500 0.000 2.282 304 L HA 0.440 4.787 4.340 0.011 0.000 0.288 304 L C -1.591 174.824 176.870 -0.760 0.000 1.033 304 L CA 0.031 54.607 54.840 -0.440 0.000 0.807 304 L CB 0.221 42.125 42.059 -0.259 0.000 1.209 304 L HN 0.402 nan 8.230 nan 0.000 0.423 305 F N 3.909 123.655 119.950 -0.339 0.000 2.540 305 F HA 0.549 5.083 4.527 0.012 0.000 0.317 305 F C -0.229 175.342 175.800 -0.382 0.000 1.104 305 F CA -0.893 56.773 58.000 -0.557 0.000 0.913 305 F CB 2.004 40.372 39.000 -1.053 0.000 1.170 305 F HN 0.008 nan 8.300 nan 0.000 0.450 306 V N 4.696 124.521 119.914 -0.148 0.000 2.370 306 V HA 0.305 4.432 4.120 0.011 0.000 0.279 306 V C 0.099 176.298 176.094 0.175 0.000 1.029 306 V CA -0.818 61.487 62.300 0.009 0.000 0.870 306 V CB 1.356 33.213 31.823 0.056 0.000 0.984 306 V HN 0.541 nan 8.190 nan 0.000 0.451 307 L N 7.391 128.741 121.223 0.212 0.000 2.455 307 L HA 0.235 4.581 4.340 0.011 0.000 0.272 307 L C -2.087 174.899 176.870 0.194 0.000 1.174 307 L CA -1.321 53.684 54.840 0.273 0.000 0.869 307 L CB 0.417 42.559 42.059 0.138 0.000 1.130 307 L HN 0.433 nan 8.230 nan 0.000 0.474 308 P HA 0.072 nan 4.420 nan 0.000 0.266 308 P C -1.993 175.360 177.300 0.089 0.000 1.215 308 P CA -0.973 62.205 63.100 0.130 0.000 0.763 308 P CB 0.476 32.240 31.700 0.107 0.000 0.806 309 P HA -0.274 nan 4.420 nan 0.000 0.218 309 P C 1.401 178.734 177.300 0.056 0.000 1.152 309 P CA 1.511 64.655 63.100 0.074 0.000 0.857 309 P CB -0.165 31.581 31.700 0.076 0.000 0.787 310 E N -0.196 120.033 120.200 0.048 0.000 2.265 310 E HA -0.142 4.215 4.350 0.011 0.000 0.196 310 E C 1.787 178.403 176.600 0.027 0.000 0.996 310 E CA 1.084 57.504 56.400 0.034 0.000 0.832 310 E CB -1.145 28.572 29.700 0.028 0.000 0.756 310 E HN 0.336 nan 8.360 nan 0.000 0.491 311 L N 0.864 122.103 121.223 0.027 0.000 2.375 311 L HA 0.071 4.417 4.340 0.011 0.000 0.215 311 L C 0.875 177.759 176.870 0.023 0.000 1.108 311 L CA 0.120 54.970 54.840 0.016 0.000 0.830 311 L CB 0.264 42.321 42.059 -0.002 0.000 0.959 311 L HN -0.117 nan 8.230 nan 0.000 0.457 312 V N 2.527 122.458 119.914 0.029 0.000 2.267 312 V HA 0.110 4.237 4.120 0.011 0.000 0.254 312 V C 0.122 176.245 176.094 0.048 0.000 1.144 312 V CA -0.467 61.850 62.300 0.028 0.000 0.992 312 V CB 0.684 32.517 31.823 0.017 0.000 1.199 312 V HN 0.084 nan 8.190 nan 0.000 0.493 313 L N 5.249 126.504 121.223 0.054 0.000 2.410 313 L HA 0.372 4.719 4.340 0.011 0.000 0.273 313 L C 0.231 177.137 176.870 0.061 0.000 1.144 313 L CA 0.924 55.790 54.840 0.043 0.000 0.863 313 L CB 0.263 42.341 42.059 0.032 0.000 1.140 313 L HN 0.635 nan 8.230 nan 0.000 0.463 314 E N 3.471 123.686 120.200 0.026 0.000 2.336 314 E HA 0.607 4.963 4.350 0.011 0.000 0.267 314 E C -1.474 175.075 176.600 -0.085 0.000 0.906 314 E CA -1.072 55.341 56.400 0.021 0.000 0.781 314 E CB 2.459 32.202 29.700 0.073 0.000 1.261 314 E HN 0.373 nan 8.360 nan 0.000 0.436 315 V N 2.550 122.383 119.914 -0.134 0.000 2.407 315 V HA 0.307 4.433 4.120 0.011 0.000 0.291 315 V C -2.441 173.592 176.094 -0.102 0.000 1.018 315 V CA -1.991 60.177 62.300 -0.220 0.000 0.842 315 V CB 1.431 32.909 31.823 -0.576 0.000 0.996 315 V HN 0.519 nan 8.190 nan 0.000 0.426 316 P HA 0.299 nan 4.420 nan 0.000 0.275 316 P C -0.722 176.582 177.300 0.006 0.000 1.227 316 P CA -0.131 62.942 63.100 -0.045 0.000 0.781 316 P CB 0.625 32.306 31.700 -0.032 0.000 0.906 317 L N 3.424 124.687 121.223 0.066 0.000 2.275 317 L HA 0.461 4.807 4.340 0.011 0.000 0.288 317 L C 0.855 177.860 176.870 0.226 0.000 1.046 317 L CA -0.251 54.680 54.840 0.151 0.000 0.805 317 L CB 0.784 42.989 42.059 0.244 0.000 1.193 317 L HN 0.490 nan 8.230 nan 0.000 0.426 318 E N 2.020 122.306 120.200 0.143 0.000 2.367 318 E HA 0.392 4.749 4.350 0.011 0.000 0.273 318 E C -1.270 175.314 176.600 -0.026 0.000 0.903 318 E CA -0.925 55.569 56.400 0.157 0.000 0.764 318 E CB 2.199 31.992 29.700 0.155 0.000 1.252 318 E HN 0.463 nan 8.360 nan 0.000 0.446 319 H N 1.998 120.889 119.070 -0.298 0.000 2.472 319 H HA 0.212 4.775 4.556 0.011 0.000 0.335 319 H C -1.673 173.324 175.328 -0.550 0.000 1.136 319 H CA -2.210 53.520 56.048 -0.529 0.000 1.264 319 H CB 1.904 31.287 29.762 -0.631 0.000 1.486 319 H HN 0.461 nan 8.280 nan 0.000 0.517 320 P HA -0.083 nan 4.420 nan 0.000 0.223 320 P C 0.829 177.932 177.300 -0.328 0.000 1.151 320 P CA 1.453 63.993 63.100 -0.933 0.000 0.787 320 P CB 0.514 31.666 31.700 -0.914 0.000 0.788 321 T N -4.868 109.674 114.554 -0.019 0.000 3.010 321 T HA 0.198 4.555 4.350 0.011 0.000 0.253 321 T C 0.754 175.420 174.700 -0.057 0.000 0.939 321 T CA -0.211 61.893 62.100 0.007 0.000 0.910 321 T CB -0.549 68.332 68.868 0.021 0.000 1.226 321 T HN -0.072 nan 8.240 nan 0.000 0.508 322 L N 2.870 123.992 121.223 -0.169 0.000 2.356 322 L HA 0.390 4.737 4.340 0.011 0.000 0.282 322 L C 1.218 177.704 176.870 -0.640 0.000 1.132 322 L CA -0.314 54.121 54.840 -0.676 0.000 0.923 322 L CB 0.431 41.692 42.059 -1.331 0.000 1.278 322 L HN 0.275 nan 8.230 nan 0.000 0.436 323 E N 3.105 123.107 120.200 -0.329 0.000 2.171 323 E HA -0.222 4.134 4.350 0.011 0.000 0.197 323 E C 1.577 178.137 176.600 -0.066 0.000 0.997 323 E CA 1.622 57.944 56.400 -0.130 0.000 0.810 323 E CB 0.005 29.702 29.700 -0.006 0.000 0.738 323 E HN 0.814 nan 8.360 nan 0.000 0.467 324 W N -0.067 121.288 121.300 0.090 0.000 2.595 324 W HA -0.021 4.645 4.660 0.011 0.000 0.257 324 W C 1.510 178.088 176.519 0.100 0.000 1.267 324 W CA -0.180 57.208 57.345 0.071 0.000 1.300 324 W CB -0.891 28.586 29.460 0.028 0.000 1.120 324 W HN -0.037 nan 8.180 nan 0.000 0.618 325 F N 2.950 122.692 119.950 -0.346 0.000 2.126 325 F HA -0.172 4.362 4.527 0.011 0.000 0.299 325 F C 2.727 178.562 175.800 0.058 0.000 1.096 325 F CA 3.056 60.969 58.000 -0.145 0.000 1.255 325 F CB -0.481 38.290 39.000 -0.383 0.000 0.997 325 F HN -0.079 nan 8.300 nan 0.000 0.479 326 A N 0.086 123.075 122.820 0.282 0.000 1.978 326 A HA -0.141 4.186 4.320 0.011 0.000 0.220 326 A C 2.245 179.915 177.584 0.144 0.000 1.170 326 A CA 1.549 53.713 52.037 0.212 0.000 0.636 326 A CB -1.423 17.662 19.000 0.142 0.000 0.810 326 A HN 0.455 nan 8.150 nan 0.000 0.448 327 A N -1.112 121.796 122.820 0.147 0.000 2.172 327 A HA 0.134 4.460 4.320 0.011 0.000 0.216 327 A C 1.720 179.356 177.584 0.088 0.000 1.154 327 A CA 1.124 53.232 52.037 0.119 0.000 0.701 327 A CB -0.376 18.710 19.000 0.144 0.000 0.789 327 A HN 0.370 nan 8.150 nan 0.000 0.465 328 L N -0.996 120.262 121.223 0.058 0.000 2.376 328 L HA 0.113 4.460 4.340 0.011 0.000 0.219 328 L C 1.895 178.797 176.870 0.054 0.000 1.133 328 L CA 1.194 56.039 54.840 0.008 0.000 0.816 328 L CB -1.074 40.886 42.059 -0.164 0.000 0.933 328 L HN 0.628 nan 8.230 nan 0.000 0.449 329 G N -0.330 108.504 108.800 0.058 0.000 2.198 329 G HA2 -0.290 3.676 3.960 0.011 0.000 0.260 329 G HA3 -0.290 3.676 3.960 0.011 0.000 0.260 329 G C 0.322 175.213 174.900 -0.016 0.000 1.025 329 G CA 0.333 45.462 45.100 0.048 0.000 0.769 329 G HN 0.306 nan 8.290 nan 0.000 0.507 330 L N -0.224 120.985 121.223 -0.024 0.000 2.395 330 L HA 0.782 5.129 4.340 0.011 0.000 0.269 330 L C 1.107 177.789 176.870 -0.314 0.000 1.133 330 L CA -0.635 54.118 54.840 -0.145 0.000 0.812 330 L CB 0.942 43.050 42.059 0.082 0.000 1.125 330 L HN 0.566 nan 8.230 nan 0.000 0.452 331 R N 1.504 121.607 120.500 -0.662 0.000 2.733 331 R HA 0.521 4.868 4.340 0.011 0.000 0.272 331 R C -2.090 174.176 176.300 -0.056 0.000 1.029 331 R CA -1.026 54.857 56.100 -0.361 0.000 0.888 331 R CB 1.856 31.883 30.300 -0.456 0.000 1.251 331 R HN 0.631 nan 8.270 nan 0.000 0.464 332 W N 1.374 122.639 121.300 -0.058 0.000 3.137 332 W HA 0.344 5.010 4.660 0.010 0.000 0.324 332 W C -1.344 175.223 176.519 0.081 0.000 1.253 332 W CA -0.936 56.440 57.345 0.052 0.000 1.183 332 W CB 2.039 31.439 29.460 -0.100 0.000 1.424 332 W HN 0.687 nan 8.180 nan 0.000 0.566 333 Y N 0.925 121.114 120.300 -0.184 0.000 2.307 333 Y HA 0.591 5.147 4.550 0.010 0.000 0.324 333 Y C 0.758 176.877 175.900 0.364 0.000 1.238 333 Y CA -0.065 58.037 58.100 0.003 0.000 1.280 333 Y CB 0.372 38.706 38.460 -0.210 0.000 1.248 333 Y HN 0.346 nan 8.280 nan 0.000 0.508 334 A N 2.231 125.303 122.820 0.420 0.000 2.016 334 A HA 0.075 4.401 4.320 0.011 0.000 0.217 334 A C 0.459 178.380 177.584 0.562 0.000 1.162 334 A CA 0.344 52.677 52.037 0.494 0.000 0.662 334 A CB -0.296 18.836 19.000 0.220 0.000 0.812 334 A HN 0.670 nan 8.150 nan 0.000 0.450 335 L N 1.880 123.394 121.223 0.484 0.000 2.257 335 L HA 0.404 4.751 4.340 0.011 0.000 0.290 335 L C -2.518 174.505 176.870 0.256 0.000 1.044 335 L CA -2.099 52.925 54.840 0.307 0.000 0.810 335 L CB 1.593 43.764 42.059 0.186 0.000 1.193 335 L HN -0.020 nan 8.230 nan 0.000 0.425 336 P HA 0.300 nan 4.420 nan 0.000 0.284 336 P C -1.347 175.852 177.300 -0.167 0.000 1.432 336 P CA -0.361 62.624 63.100 -0.190 0.000 0.929 336 P CB 1.292 32.502 31.700 -0.817 0.000 1.158 337 A N 4.761 127.485 122.820 -0.160 0.000 2.664 337 A HA 0.373 4.700 4.320 0.011 0.000 0.338 337 A C 0.164 177.493 177.584 -0.426 0.000 1.280 337 A CA -0.644 51.215 52.037 -0.296 0.000 0.809 337 A CB 0.280 19.126 19.000 -0.256 0.000 1.114 337 A HN 0.299 nan 8.150 nan 0.000 0.479 338 V N 2.289 121.795 119.914 -0.680 0.000 2.694 338 V HA 0.107 4.234 4.120 0.011 0.000 0.306 338 V C 1.294 176.982 176.094 -0.676 0.000 1.054 338 V CA 1.576 63.459 62.300 -0.695 0.000 1.161 338 V CB 0.949 32.166 31.823 -1.009 0.000 0.916 338 V HN 1.075 nan 8.190 nan 0.000 0.490 339 S N 1.141 116.658 115.700 -0.305 0.000 2.893 339 S HA 0.083 4.560 4.470 0.011 0.000 0.258 339 S C 0.643 175.242 174.600 -0.001 0.000 1.034 339 S CA 0.038 58.146 58.200 -0.152 0.000 1.167 339 S CB -0.427 62.714 63.200 -0.099 0.000 1.137 339 S HN 0.933 nan 8.310 nan 0.000 0.650 340 N N 0.543 119.253 118.700 0.018 0.000 2.235 340 N HA 0.333 5.080 4.740 0.011 0.000 0.231 340 N C -0.004 175.582 175.510 0.126 0.000 1.177 340 N CA -0.552 52.546 53.050 0.081 0.000 0.874 340 N CB 0.199 38.731 38.487 0.075 0.000 1.097 340 N HN 0.253 nan 8.380 nan 0.000 0.518 341 M N 1.329 121.027 119.600 0.164 0.000 2.409 341 M HA 0.320 4.807 4.480 0.011 0.000 0.329 341 M C -0.636 175.825 176.300 0.269 0.000 1.180 341 M CA -0.899 54.547 55.300 0.244 0.000 1.053 341 M CB 2.493 35.287 32.600 0.325 0.000 1.586 341 M HN 0.143 nan 8.290 nan 0.000 0.461 342 L N 3.146 124.501 121.223 0.219 0.000 2.289 342 L HA 0.477 4.823 4.340 0.011 0.000 0.285 342 L C -1.237 175.725 176.870 0.153 0.000 1.049 342 L CA -0.807 54.136 54.840 0.171 0.000 0.804 342 L CB 0.961 43.075 42.059 0.091 0.000 1.195 342 L HN 0.589 nan 8.230 nan 0.000 0.428 343 L N 5.516 126.812 121.223 0.122 0.000 2.262 343 L HA 0.441 4.788 4.340 0.011 0.000 0.288 343 L C -0.486 176.363 176.870 -0.036 0.000 1.035 343 L CA 0.222 54.993 54.840 -0.115 0.000 0.820 343 L CB 1.002 42.976 42.059 -0.141 0.000 1.204 343 L HN 0.648 nan 8.230 nan 0.000 0.424 344 E N 6.650 126.759 120.200 -0.151 0.000 2.133 344 E HA 0.370 4.726 4.350 0.011 0.000 0.274 344 E C -1.513 174.988 176.600 -0.166 0.000 0.930 344 E CA -0.402 55.935 56.400 -0.105 0.000 0.770 344 E CB 1.021 30.663 29.700 -0.096 0.000 1.104 344 E HN 0.729 nan 8.360 nan 0.000 0.403 345 I N 2.680 123.160 120.570 -0.150 0.000 2.447 345 I HA 0.260 4.437 4.170 0.011 0.000 0.287 345 I C 0.872 176.804 176.117 -0.308 0.000 1.023 345 I CA -0.744 60.351 61.300 -0.342 0.000 1.083 345 I CB 1.976 39.696 38.000 -0.466 0.000 1.245 345 I HN 0.800 nan 8.210 nan 0.000 0.434 346 G N 4.304 112.972 108.800 -0.220 0.000 2.379 346 G HA2 -0.134 3.833 3.960 0.011 0.000 0.297 346 G HA3 -0.134 3.833 3.960 0.011 0.000 0.297 346 G C 1.031 176.014 174.900 0.139 0.000 1.004 346 G CA 0.926 46.086 45.100 0.099 0.000 0.921 346 G HN 1.481 nan 8.290 nan 0.000 0.511 347 G N -1.419 107.396 108.800 0.026 0.000 2.420 347 G HA2 -0.256 3.711 3.960 0.011 0.000 0.221 347 G HA3 -0.256 3.711 3.960 0.011 0.000 0.221 347 G C 0.687 175.527 174.900 -0.099 0.000 1.117 347 G CA 0.227 45.333 45.100 0.010 0.000 0.657 347 G HN 1.326 nan 8.290 nan 0.000 0.512 348 L N 1.563 122.664 121.223 -0.204 0.000 2.514 348 L HA 0.337 4.684 4.340 0.011 0.000 0.280 348 L C 0.416 177.063 176.870 -0.372 0.000 1.223 348 L CA 0.544 55.142 54.840 -0.404 0.000 0.864 348 L CB 0.323 42.022 42.059 -0.600 0.000 1.118 348 L HN 0.342 nan 8.230 nan 0.000 0.494 349 E N 3.198 123.136 120.200 -0.436 0.000 2.155 349 E HA 0.293 4.650 4.350 0.011 0.000 0.264 349 E C -1.302 175.062 176.600 -0.394 0.000 0.886 349 E CA -0.406 55.817 56.400 -0.295 0.000 0.752 349 E CB 1.290 30.894 29.700 -0.160 0.000 1.133 349 E HN 0.286 nan 8.360 nan 0.000 0.414 350 F N 2.284 122.192 119.950 -0.070 0.000 2.425 350 F HA 0.053 4.588 4.527 0.012 0.000 0.354 350 F C 1.769 177.595 175.800 0.043 0.000 1.162 350 F CA -0.370 57.616 58.000 -0.024 0.000 1.250 350 F CB 0.630 39.595 39.000 -0.060 0.000 1.579 350 F HN 0.430 nan 8.300 nan 0.000 0.589 351 S N 1.307 117.103 115.700 0.161 0.000 2.440 351 S HA -0.028 4.448 4.470 0.011 0.000 0.238 351 S C 0.892 175.628 174.600 0.226 0.000 1.010 351 S CA 0.597 58.896 58.200 0.164 0.000 0.972 351 S CB -0.110 63.168 63.200 0.130 0.000 0.774 351 S HN 0.466 nan 8.310 nan 0.000 0.501 352 A N 0.260 123.260 122.820 0.299 0.000 2.410 352 A HA 0.825 5.152 4.320 0.011 0.000 0.289 352 A C -0.177 177.636 177.584 0.382 0.000 1.200 352 A CA -0.152 52.099 52.037 0.357 0.000 0.751 352 A CB 1.005 20.247 19.000 0.405 0.000 1.161 352 A HN 1.122 nan 8.150 nan 0.000 0.459 353 A N 4.133 127.124 122.820 0.285 0.000 3.399 353 A HA 0.619 4.945 4.320 0.011 0.000 0.262 353 A C -3.009 174.699 177.584 0.208 0.000 1.145 353 A CA -0.890 51.252 52.037 0.176 0.000 0.916 353 A CB 0.384 19.480 19.000 0.159 0.000 1.360 353 A HN 0.517 nan 8.150 nan 0.000 0.628 354 P HA 0.380 nan 4.420 nan 0.000 0.268 354 P C -0.690 176.614 177.300 0.006 0.000 1.204 354 P CA 0.500 63.558 63.100 -0.069 0.000 0.768 354 P CB 0.243 31.857 31.700 -0.144 0.000 0.842 355 F N 0.025 119.917 119.950 -0.096 0.000 2.593 355 F HA 0.811 5.344 4.527 0.010 0.000 0.320 355 F C -0.527 175.191 175.800 -0.137 0.000 1.060 355 F CA -1.187 56.755 58.000 -0.097 0.000 0.940 355 F CB 1.686 40.508 39.000 -0.296 0.000 1.268 355 F HN 0.438 nan 8.300 nan 0.000 0.475 356 S N -0.077 115.689 115.700 0.110 0.000 2.547 356 S HA 0.901 5.377 4.470 0.011 0.000 0.270 356 S C -0.841 173.703 174.600 -0.094 0.000 1.150 356 S CA -0.179 58.018 58.200 -0.005 0.000 0.850 356 S CB 1.357 64.633 63.200 0.127 0.000 1.118 356 S HN 1.521 nan 8.310 nan 0.000 0.461 357 G N 0.026 108.727 108.800 -0.165 0.000 3.366 357 G HA2 0.742 4.708 3.960 0.011 0.000 0.179 357 G HA3 0.742 4.708 3.960 0.011 0.000 0.179 357 G C -1.607 173.271 174.900 -0.037 0.000 1.143 357 G CA -0.229 44.705 45.100 -0.277 0.000 0.810 357 G HN 1.252 nan 8.290 nan 0.000 0.697 358 W N -1.185 120.122 121.300 0.013 0.000 3.107 358 W HA 0.805 5.470 4.660 0.009 0.000 0.331 358 W C -1.657 174.876 176.519 0.025 0.000 1.204 358 W CA -2.299 55.074 57.345 0.046 0.000 1.184 358 W CB 0.331 29.860 29.460 0.115 0.000 1.421 358 W HN 0.413 nan 8.180 nan 0.000 0.544 359 Y N 3.049 123.550 120.300 0.335 0.000 2.457 359 Y HA 0.194 4.751 4.550 0.011 0.000 0.341 359 Y C 0.953 176.925 175.900 0.121 0.000 1.240 359 Y CA -0.333 57.849 58.100 0.138 0.000 1.437 359 Y CB 0.907 39.361 38.460 -0.011 0.000 1.328 359 Y HN 0.497 nan 8.280 nan 0.000 0.588 360 M N 2.418 122.178 119.600 0.267 0.000 2.205 360 M HA 0.210 4.697 4.480 0.011 0.000 0.344 360 M C 1.012 177.318 176.300 0.010 0.000 1.085 360 M CA -0.382 55.001 55.300 0.139 0.000 1.001 360 M CB 1.246 33.907 32.600 0.102 0.000 1.626 360 M HN 0.847 nan 8.290 nan 0.000 0.442 361 S N 1.709 117.368 115.700 -0.068 0.000 2.413 361 S HA -0.221 4.255 4.470 0.011 0.000 0.237 361 S C 1.473 175.948 174.600 -0.208 0.000 1.044 361 S CA 2.381 60.465 58.200 -0.192 0.000 1.024 361 S CB -1.396 61.728 63.200 -0.127 0.000 0.829 361 S HN 0.932 nan 8.310 nan 0.000 0.475 362 T N -0.784 113.679 114.554 -0.150 0.000 3.035 362 T HA 0.072 4.428 4.350 0.011 0.000 0.268 362 T C 1.530 176.090 174.700 -0.234 0.000 1.109 362 T CA 1.026 62.991 62.100 -0.225 0.000 1.119 362 T CB -0.494 68.203 68.868 -0.286 0.000 0.900 362 T HN 0.594 nan 8.240 nan 0.000 0.503 363 E N 0.691 120.774 120.200 -0.195 0.000 2.077 363 E HA -0.024 4.332 4.350 0.011 0.000 0.193 363 E C 1.950 178.297 176.600 -0.421 0.000 0.989 363 E CA 1.320 57.608 56.400 -0.186 0.000 0.800 363 E CB -0.192 29.536 29.700 0.048 0.000 0.746 363 E HN 0.610 nan 8.360 nan 0.000 0.452 364 I N -0.174 120.018 120.570 -0.631 0.000 2.364 364 I HA -0.045 4.131 4.170 0.011 0.000 0.241 364 I C 2.561 178.328 176.117 -0.583 0.000 1.082 364 I CA 0.859 61.608 61.300 -0.917 0.000 1.401 364 I CB -0.521 36.854 38.000 -1.042 0.000 1.126 364 I HN 0.106 nan 8.210 nan 0.000 0.429 365 G N 0.131 108.692 108.800 -0.398 0.000 2.432 365 G HA2 -0.163 3.804 3.960 0.011 0.000 0.219 365 G HA3 -0.163 3.804 3.960 0.011 0.000 0.219 365 G C 1.583 176.371 174.900 -0.186 0.000 1.135 365 G CA 1.525 46.483 45.100 -0.236 0.000 0.767 365 G HN 0.313 nan 8.290 nan 0.000 0.550 366 T N -0.478 113.944 114.554 -0.221 0.000 3.087 366 T HA 0.129 4.486 4.350 0.011 0.000 0.237 366 T C 2.481 177.073 174.700 -0.180 0.000 0.990 366 T CA 0.074 62.065 62.100 -0.183 0.000 1.160 366 T CB 0.190 68.936 68.868 -0.205 0.000 0.923 366 T HN 0.015 nan 8.240 nan 0.000 0.442 367 R N 2.112 122.486 120.500 -0.210 0.000 2.051 367 R HA 0.188 4.535 4.340 0.011 0.000 0.225 367 R C 2.150 178.338 176.300 -0.186 0.000 1.155 367 R CA 1.005 56.991 56.100 -0.191 0.000 0.945 367 R CB -1.212 28.983 30.300 -0.175 0.000 0.840 367 R HN 0.294 nan 8.270 nan 0.000 0.432 368 N N 1.128 119.676 118.700 -0.252 0.000 2.104 368 N HA -0.106 4.640 4.740 0.011 0.000 0.190 368 N C 1.921 177.370 175.510 -0.102 0.000 1.024 368 N CA 1.132 54.037 53.050 -0.242 0.000 0.853 368 N CB -0.237 37.811 38.487 -0.730 0.000 1.008 368 N HN 0.191 nan 8.380 nan 0.000 0.424 369 L N -0.972 120.139 121.223 -0.186 0.000 2.354 369 L HA 0.099 4.445 4.340 0.011 0.000 0.212 369 L C 1.197 178.100 176.870 0.054 0.000 1.091 369 L CA 0.370 55.199 54.840 -0.017 0.000 0.828 369 L CB 0.239 42.255 42.059 -0.072 0.000 0.973 369 L HN 0.169 nan 8.230 nan 0.000 0.461 370 C N -1.609 117.679 119.300 -0.021 0.000 3.230 370 C HA 0.187 4.654 4.460 0.011 0.000 0.300 370 C C 0.729 175.695 174.990 -0.041 0.000 1.292 370 C CA -0.923 58.090 59.018 -0.008 0.000 1.707 370 C CB -0.195 27.529 27.740 -0.027 0.000 2.181 370 C HN 0.288 nan 8.230 nan 0.000 0.655 371 D N 2.432 122.771 120.400 -0.102 0.000 2.449 371 D HA 0.059 4.706 4.640 0.011 0.000 0.236 371 D C -1.406 174.824 176.300 -0.118 0.000 1.149 371 D CA -0.963 52.928 54.000 -0.181 0.000 0.878 371 D CB 0.626 41.162 40.800 -0.439 0.000 1.198 371 D HN 0.127 nan 8.370 nan 0.000 0.446 372 P HA -0.127 nan 4.420 nan 0.000 0.217 372 P C 0.617 177.977 177.300 0.100 0.000 1.150 372 P CA 1.251 64.400 63.100 0.081 0.000 0.832 372 P CB 0.003 31.794 31.700 0.151 0.000 0.787 373 H N -2.576 116.503 119.070 0.015 0.000 2.537 373 H HA 0.364 4.926 4.556 0.011 0.000 0.295 373 H C 0.810 176.146 175.328 0.013 0.000 1.054 373 H CA -0.119 55.935 56.048 0.011 0.000 1.156 373 H CB -0.006 29.763 29.762 0.011 0.000 1.468 373 H HN -0.011 nan 8.280 nan 0.000 0.551 374 R N -0.253 120.168 120.500 -0.132 0.000 3.066 374 R HA 0.175 4.522 4.340 0.011 0.000 0.143 374 R C 1.091 177.351 176.300 -0.066 0.000 1.187 374 R CA -0.738 55.318 56.100 -0.073 0.000 0.722 374 R CB -0.826 29.455 30.300 -0.031 0.000 1.366 374 R HN 0.074 nan 8.270 nan 0.000 0.421 375 Y N 1.778 122.100 120.300 0.037 0.000 2.333 375 Y HA -0.069 4.487 4.550 0.011 0.000 0.290 375 Y C 0.879 176.804 175.900 0.042 0.000 1.144 375 Y CA 1.537 59.672 58.100 0.058 0.000 1.228 375 Y CB -0.304 38.233 38.460 0.127 0.000 0.985 375 Y HN 0.566 nan 8.280 nan 0.000 0.542 376 N N 0.801 119.582 118.700 0.135 0.000 2.714 376 N HA -0.229 4.517 4.740 0.011 0.000 0.252 376 N C 0.525 176.110 175.510 0.126 0.000 1.014 376 N CA 0.338 53.446 53.050 0.096 0.000 0.735 376 N CB -1.052 37.473 38.487 0.064 0.000 0.924 376 N HN 0.621 nan 8.380 nan 0.000 0.540 377 I N -2.796 117.867 120.570 0.154 0.000 3.749 377 I HA -0.003 4.174 4.170 0.011 0.000 0.314 377 I C 1.636 177.842 176.117 0.147 0.000 1.267 377 I CA -0.320 61.068 61.300 0.148 0.000 1.169 377 I CB -0.041 38.055 38.000 0.159 0.000 1.009 377 I HN 0.114 nan 8.210 nan 0.000 0.444 378 L N 1.700 123.017 121.223 0.157 0.000 2.012 378 L HA -0.190 4.156 4.340 0.011 0.000 0.210 378 L C 2.530 179.601 176.870 0.334 0.000 1.073 378 L CA 2.067 57.030 54.840 0.206 0.000 0.748 378 L CB -0.920 41.224 42.059 0.142 0.000 0.891 378 L HN 0.488 nan 8.230 nan 0.000 0.431 379 E N -1.036 119.358 120.200 0.324 0.000 2.110 379 E HA -0.224 4.132 4.350 0.011 0.000 0.193 379 E C 1.683 178.324 176.600 0.068 0.000 0.988 379 E CA 1.272 57.806 56.400 0.222 0.000 0.804 379 E CB 0.073 29.838 29.700 0.109 0.000 0.745 379 E HN 0.514 nan 8.360 nan 0.000 0.458 380 D N 0.039 120.477 120.400 0.063 0.000 2.097 380 D HA -0.151 4.496 4.640 0.011 0.000 0.195 380 D C 2.062 178.354 176.300 -0.014 0.000 0.989 380 D CA 1.086 55.087 54.000 0.002 0.000 0.827 380 D CB -0.255 40.553 40.800 0.015 0.000 0.966 380 D HN 0.130 nan 8.370 nan 0.000 0.456 381 V N 1.481 121.436 119.914 0.068 0.000 2.515 381 V HA -0.188 3.938 4.120 0.011 0.000 0.250 381 V C 2.516 178.679 176.094 0.115 0.000 1.058 381 V CA 1.595 63.969 62.300 0.123 0.000 1.064 381 V CB -0.708 31.262 31.823 0.244 0.000 0.675 381 V HN 0.171 nan 8.190 nan 0.000 0.461 382 A N -0.162 122.748 122.820 0.149 0.000 1.898 382 A HA -0.135 4.192 4.320 0.011 0.000 0.216 382 A C 2.389 179.950 177.584 -0.039 0.000 1.181 382 A CA 1.882 54.008 52.037 0.148 0.000 0.620 382 A CB -0.618 18.573 19.000 0.318 0.000 0.819 382 A HN 0.325 nan 8.150 nan 0.000 0.442 383 V N -0.799 119.044 119.914 -0.118 0.000 2.343 383 V HA -0.325 3.802 4.120 0.011 0.000 0.247 383 V C 2.619 178.559 176.094 -0.256 0.000 1.051 383 V CA 2.068 64.257 62.300 -0.185 0.000 1.036 383 V CB -1.037 30.680 31.823 -0.176 0.000 0.654 383 V HN 0.712 nan 8.190 nan 0.000 0.451 384 C N -0.458 118.623 119.300 -0.364 0.000 2.435 384 C HA -0.109 4.357 4.460 0.011 0.000 0.279 384 C C 2.602 177.159 174.990 -0.722 0.000 1.321 384 C CA 0.949 59.509 59.018 -0.763 0.000 1.752 384 C CB -0.953 26.027 27.740 -1.267 0.000 1.959 384 C HN 0.531 nan 8.230 nan 0.000 0.500 385 M N -0.049 119.382 119.600 -0.282 0.000 2.618 385 M HA 0.054 4.540 4.480 0.011 0.000 0.240 385 M C 0.382 176.661 176.300 -0.035 0.000 1.123 385 M CA 0.762 56.061 55.300 -0.002 0.000 1.060 385 M CB -0.423 32.283 32.600 0.176 0.000 1.535 385 M HN 0.230 nan 8.290 nan 0.000 0.507 386 D N 1.807 122.137 120.400 -0.116 0.000 2.705 386 D HA -0.147 4.500 4.640 0.011 0.000 0.240 386 D C -1.094 175.178 176.300 -0.046 0.000 1.137 386 D CA 0.497 54.440 54.000 -0.095 0.000 0.677 386 D CB -0.838 39.912 40.800 -0.083 0.000 1.049 386 D HN 0.311 nan 8.370 nan 0.000 0.427 387 L N -0.166 121.035 121.223 -0.037 0.000 2.358 387 L HA 0.442 4.788 4.340 0.011 0.000 0.268 387 L C 0.903 177.723 176.870 -0.083 0.000 1.032 387 L CA -1.036 53.807 54.840 0.005 0.000 0.805 387 L CB 0.865 42.994 42.059 0.118 0.000 1.253 387 L HN -0.044 nan 8.230 nan 0.000 0.452 388 D N 0.711 121.082 120.400 -0.049 0.000 2.455 388 D HA 0.003 4.650 4.640 0.011 0.000 0.234 388 D C 1.032 177.141 176.300 -0.319 0.000 1.224 388 D CA -0.115 53.814 54.000 -0.118 0.000 0.999 388 D CB 0.546 41.333 40.800 -0.021 0.000 1.072 388 D HN 0.597 nan 8.370 nan 0.000 0.514 389 T N 0.268 114.437 114.554 -0.642 0.000 3.284 389 T HA -0.026 4.331 4.350 0.011 0.000 0.252 389 T C 1.360 175.664 174.700 -0.661 0.000 1.144 389 T CA -0.104 61.177 62.100 -1.365 0.000 1.021 389 T CB 0.024 68.067 68.868 -1.374 0.000 0.984 389 T HN 0.210 nan 8.240 nan 0.000 0.545 390 R N 0.536 120.857 120.500 -0.298 0.000 2.362 390 R HA 0.162 4.508 4.340 0.011 0.000 0.227 390 R C -0.223 176.079 176.300 0.002 0.000 0.905 390 R CA 0.237 56.266 56.100 -0.117 0.000 1.067 390 R CB 0.414 30.655 30.300 -0.098 0.000 1.078 390 R HN 0.366 nan 8.270 nan 0.000 0.516 391 T N -0.537 114.061 114.554 0.073 0.000 3.032 391 T HA 0.134 4.491 4.350 0.011 0.000 0.312 391 T C 0.960 175.826 174.700 0.276 0.000 1.078 391 T CA -0.148 62.038 62.100 0.143 0.000 1.028 391 T CB 1.739 70.659 68.868 0.087 0.000 1.091 391 T HN 0.247 nan 8.240 nan 0.000 0.457 392 T N 1.317 116.000 114.554 0.216 0.000 2.746 392 T HA -0.113 4.244 4.350 0.011 0.000 0.267 392 T C 2.149 176.915 174.700 0.111 0.000 1.039 392 T CA 1.795 63.995 62.100 0.167 0.000 1.142 392 T CB -0.873 68.043 68.868 0.079 0.000 0.866 392 T HN 0.757 nan 8.240 nan 0.000 0.444 393 S N 2.233 117.988 115.700 0.091 0.000 2.571 393 S HA -0.105 4.371 4.470 0.011 0.000 0.245 393 S C 2.069 176.717 174.600 0.080 0.000 0.976 393 S CA 0.991 59.230 58.200 0.065 0.000 0.954 393 S CB -0.998 62.232 63.200 0.051 0.000 0.756 393 S HN 0.813 nan 8.310 nan 0.000 0.535 394 S N 1.431 117.213 115.700 0.137 0.000 2.528 394 S HA 0.244 4.720 4.470 0.011 0.000 0.219 394 S C 0.938 175.621 174.600 0.137 0.000 0.985 394 S CA 0.107 58.396 58.200 0.148 0.000 0.914 394 S CB -0.884 62.439 63.200 0.205 0.000 0.776 394 S HN 0.602 nan 8.310 nan 0.000 0.526 395 L N 1.092 122.365 121.223 0.085 0.000 3.717 395 L HA -0.172 4.175 4.340 0.011 0.000 0.414 395 L C 1.614 178.486 176.870 0.005 0.000 1.228 395 L CA 0.678 55.507 54.840 -0.018 0.000 0.918 395 L CB -2.462 39.596 42.059 -0.003 0.000 1.865 395 L HN 0.738 nan 8.230 nan 0.000 0.922 396 W N -0.010 121.301 121.300 0.018 0.000 2.363 396 W HA -0.148 4.519 4.660 0.011 0.000 0.296 396 W C 1.735 178.271 176.519 0.028 0.000 1.212 396 W CA 1.330 58.688 57.345 0.023 0.000 1.260 396 W CB -0.715 28.754 29.460 0.015 0.000 1.131 396 W HN 0.289 nan 8.180 nan 0.000 0.530 397 K N 1.100 121.034 120.400 -0.778 0.000 2.026 397 K HA -0.162 4.164 4.320 0.011 0.000 0.208 397 K C 1.561 178.006 176.600 -0.258 0.000 1.048 397 K CA 2.359 58.229 56.287 -0.695 0.000 0.929 397 K CB -0.418 31.533 32.500 -0.914 0.000 0.713 397 K HN 0.031 nan 8.250 nan 0.000 0.439 398 D N 0.761 121.036 120.400 -0.208 0.000 2.123 398 D HA -0.142 4.505 4.640 0.011 0.000 0.196 398 D C 1.721 178.007 176.300 -0.022 0.000 0.992 398 D CA 1.292 55.233 54.000 -0.098 0.000 0.833 398 D CB 0.012 40.766 40.800 -0.077 0.000 0.954 398 D HN 0.137 nan 8.370 nan 0.000 0.455 399 K N 0.455 120.866 120.400 0.019 0.000 2.026 399 K HA -0.027 4.299 4.320 0.011 0.000 0.208 399 K C 2.245 178.909 176.600 0.107 0.000 1.048 399 K CA 1.183 57.514 56.287 0.074 0.000 0.929 399 K CB -0.196 32.369 32.500 0.109 0.000 0.713 399 K HN 0.096 nan 8.250 nan 0.000 0.439 400 A N 1.529 124.431 122.820 0.136 0.000 1.933 400 A HA -0.099 4.228 4.320 0.011 0.000 0.218 400 A C 2.369 180.038 177.584 0.141 0.000 1.175 400 A CA 1.767 53.915 52.037 0.185 0.000 0.628 400 A CB -0.649 18.493 19.000 0.238 0.000 0.814 400 A HN 0.342 nan 8.150 nan 0.000 0.444 401 A N -0.487 122.370 122.820 0.062 0.000 1.902 401 A HA -0.022 4.305 4.320 0.011 0.000 0.217 401 A C 2.238 179.840 177.584 0.030 0.000 1.181 401 A CA 1.816 53.867 52.037 0.023 0.000 0.623 401 A CB -0.959 18.014 19.000 -0.045 0.000 0.818 401 A HN 0.371 nan 8.150 nan 0.000 0.443 402 V N 0.332 120.271 119.914 0.041 0.000 2.255 402 V HA -0.240 3.887 4.120 0.011 0.000 0.247 402 V C 2.627 178.767 176.094 0.076 0.000 1.051 402 V CA 2.262 64.593 62.300 0.052 0.000 1.018 402 V CB -0.742 31.119 31.823 0.063 0.000 0.641 402 V HN 0.524 nan 8.190 nan 0.000 0.445 403 E N -0.119 120.155 120.200 0.123 0.000 2.085 403 E HA -0.180 4.177 4.350 0.011 0.000 0.194 403 E C 2.095 178.771 176.600 0.127 0.000 0.994 403 E CA 1.373 57.882 56.400 0.181 0.000 0.801 403 E CB -0.415 29.397 29.700 0.186 0.000 0.743 403 E HN 0.595 nan 8.360 nan 0.000 0.453 404 I N 1.518 122.187 120.570 0.165 0.000 2.226 404 I HA -0.269 3.907 4.170 0.011 0.000 0.245 404 I C 2.176 178.292 176.117 -0.002 0.000 1.100 404 I CA 0.866 62.265 61.300 0.166 0.000 1.374 404 I CB -0.283 37.853 38.000 0.226 0.000 1.057 404 I HN 0.083 nan 8.210 nan 0.000 0.413 405 N N 0.661 119.351 118.700 -0.017 0.000 2.084 405 N HA -0.184 4.562 4.740 0.011 0.000 0.190 405 N C 1.919 177.385 175.510 -0.073 0.000 1.030 405 N CA 1.273 54.286 53.050 -0.062 0.000 0.849 405 N CB -0.267 38.192 38.487 -0.046 0.000 1.012 405 N HN 0.193 nan 8.380 nan 0.000 0.423 406 L N 1.591 122.775 121.223 -0.066 0.000 2.079 406 L HA -0.074 4.272 4.340 0.011 0.000 0.210 406 L C 2.224 178.965 176.870 -0.215 0.000 1.081 406 L CA 1.481 56.246 54.840 -0.124 0.000 0.752 406 L CB -0.845 41.126 42.059 -0.147 0.000 0.896 406 L HN 0.078 nan 8.230 nan 0.000 0.433 407 A N -1.240 121.399 122.820 -0.301 0.000 1.902 407 A HA -0.153 4.174 4.320 0.011 0.000 0.217 407 A C 2.273 179.767 177.584 -0.151 0.000 1.181 407 A CA 1.987 53.788 52.037 -0.394 0.000 0.623 407 A CB -1.087 17.384 19.000 -0.882 0.000 0.818 407 A HN 0.300 nan 8.150 nan 0.000 0.443 408 V N 0.031 119.876 119.914 -0.115 0.000 2.343 408 V HA -0.261 3.865 4.120 0.011 0.000 0.247 408 V C 2.569 178.642 176.094 -0.034 0.000 1.051 408 V CA 1.967 64.232 62.300 -0.057 0.000 1.036 408 V CB -0.741 30.959 31.823 -0.205 0.000 0.654 408 V HN 0.571 nan 8.190 nan 0.000 0.451 409 L N -0.562 120.615 121.223 -0.077 0.000 2.046 409 L HA -0.226 4.120 4.340 0.011 0.000 0.208 409 L C 2.607 179.492 176.870 0.025 0.000 1.077 409 L CA 2.138 56.954 54.840 -0.041 0.000 0.747 409 L CB -0.716 41.320 42.059 -0.039 0.000 0.896 409 L HN 0.496 nan 8.230 nan 0.000 0.432 410 H N -0.470 118.544 119.070 -0.094 0.000 2.326 410 H HA -0.116 4.447 4.556 0.012 0.000 0.301 410 H C 2.332 177.640 175.328 -0.033 0.000 1.081 410 H CA 1.899 57.886 56.048 -0.102 0.000 1.334 410 H CB 0.024 29.655 29.762 -0.218 0.000 1.385 410 H HN 0.122 nan 8.280 nan 0.000 0.504 411 S N -0.512 115.114 115.700 -0.123 0.000 2.399 411 S HA -0.105 4.372 4.470 0.011 0.000 0.231 411 S C 1.927 176.495 174.600 -0.054 0.000 1.022 411 S CA 1.205 59.328 58.200 -0.129 0.000 0.983 411 S CB -0.396 62.825 63.200 0.036 0.000 0.803 411 S HN 0.379 nan 8.310 nan 0.000 0.480 412 F N 1.747 121.619 119.950 -0.130 0.000 2.187 412 F HA -0.049 4.484 4.527 0.010 0.000 0.295 412 F C 2.763 178.503 175.800 -0.101 0.000 1.091 412 F CA 0.826 58.779 58.000 -0.079 0.000 1.308 412 F CB -0.204 38.775 39.000 -0.034 0.000 1.030 412 F HN 0.166 nan 8.300 nan 0.000 0.487 413 Q N 0.197 120.031 119.800 0.057 0.000 2.050 413 Q HA -0.217 4.130 4.340 0.011 0.000 0.202 413 Q C 2.336 178.279 176.000 -0.094 0.000 0.980 413 Q CA 1.470 57.259 55.803 -0.024 0.000 0.840 413 Q CB -0.384 28.333 28.738 -0.034 0.000 0.898 413 Q HN 0.467 nan 8.270 nan 0.000 0.424 414 L N 0.220 121.327 121.223 -0.193 0.000 2.042 414 L HA -0.162 4.185 4.340 0.011 0.000 0.210 414 L C 1.881 178.663 176.870 -0.147 0.000 1.076 414 L CA 1.247 55.959 54.840 -0.214 0.000 0.749 414 L CB -0.244 41.588 42.059 -0.378 0.000 0.893 414 L HN 0.193 nan 8.230 nan 0.000 0.432 415 A N -1.207 121.520 122.820 -0.154 0.000 2.259 415 A HA -0.019 4.307 4.320 0.011 0.000 0.208 415 A C 0.616 178.132 177.584 -0.113 0.000 1.201 415 A CA -0.067 51.885 52.037 -0.142 0.000 0.824 415 A CB -0.097 18.784 19.000 -0.200 0.000 0.838 415 A HN 0.418 nan 8.150 nan 0.000 0.485 416 K N -0.998 119.350 120.400 -0.087 0.000 3.148 416 K HA -0.131 4.195 4.320 0.011 0.000 0.267 416 K C -0.631 175.937 176.600 -0.054 0.000 0.996 416 K CA 0.767 57.017 56.287 -0.063 0.000 0.737 416 K CB -2.727 29.738 32.500 -0.059 0.000 1.308 416 K HN 0.305 nan 8.250 nan 0.000 0.470 417 V N 0.944 120.835 119.914 -0.038 0.000 2.448 417 V HA 0.210 4.337 4.120 0.011 0.000 0.295 417 V C 0.724 176.898 176.094 0.133 0.000 1.025 417 V CA -0.828 61.475 62.300 0.006 0.000 0.859 417 V CB 2.089 33.833 31.823 -0.131 0.000 0.988 417 V HN 0.333 nan 8.190 nan 0.000 0.431 418 T N 6.354 120.949 114.554 0.068 0.000 2.933 418 T HA 0.391 4.748 4.350 0.011 0.000 0.306 418 T C -0.228 174.552 174.700 0.133 0.000 1.045 418 T CA 0.942 63.022 62.100 -0.034 0.000 1.143 418 T CB 0.081 68.797 68.868 -0.253 0.000 1.003 418 T HN 0.602 nan 8.240 nan 0.000 0.540 419 I N 2.084 122.659 120.570 0.008 0.000 2.897 419 I HA 0.585 4.762 4.170 0.011 0.000 0.299 419 I C -1.757 174.374 176.117 0.022 0.000 1.527 419 I CA -0.915 60.430 61.300 0.074 0.000 0.979 419 I CB 1.822 39.796 38.000 -0.044 0.000 1.360 419 I HN 0.465 nan 8.210 nan 0.000 0.495 420 V N 4.901 124.882 119.914 0.112 0.000 2.686 420 V HA 0.492 4.619 4.120 0.011 0.000 0.306 420 V C -1.190 174.950 176.094 0.075 0.000 1.065 420 V CA -0.246 62.118 62.300 0.107 0.000 0.894 420 V CB 2.190 34.150 31.823 0.228 0.000 1.004 420 V HN 0.879 nan 8.190 nan 0.000 0.424 421 D N 4.054 124.476 120.400 0.037 0.000 2.358 421 D HA 0.179 4.825 4.640 0.011 0.000 0.244 421 D C 1.303 177.599 176.300 -0.007 0.000 1.163 421 D CA 0.163 54.173 54.000 0.017 0.000 0.945 421 D CB 0.451 41.230 40.800 -0.036 0.000 1.152 421 D HN 0.745 nan 8.370 nan 0.000 0.451 422 H N -0.152 118.849 119.070 -0.114 0.000 2.489 422 H HA -0.146 4.416 4.556 0.011 0.000 0.293 422 H C 0.917 176.134 175.328 -0.185 0.000 1.066 422 H CA 1.296 57.237 56.048 -0.178 0.000 1.305 422 H CB -0.531 29.068 29.762 -0.273 0.000 1.386 422 H HN 0.520 nan 8.280 nan 0.000 0.551 423 H N 1.137 120.015 119.070 -0.320 0.000 2.317 423 H HA 0.166 4.729 4.556 0.011 0.000 0.304 423 H C 2.555 177.859 175.328 -0.039 0.000 1.067 423 H CA 1.321 57.269 56.048 -0.167 0.000 1.352 423 H CB -0.343 29.281 29.762 -0.230 0.000 1.398 423 H HN 0.489 nan 8.280 nan 0.000 0.510 424 A N 1.504 124.378 122.820 0.090 0.000 1.902 424 A HA -0.113 4.213 4.320 0.011 0.000 0.217 424 A C 2.687 180.337 177.584 0.110 0.000 1.181 424 A CA 1.848 53.937 52.037 0.087 0.000 0.623 424 A CB -0.871 18.169 19.000 0.067 0.000 0.818 424 A HN 0.438 nan 8.150 nan 0.000 0.443 425 A N -0.105 122.777 122.820 0.105 0.000 1.851 425 A HA -0.158 4.168 4.320 0.011 0.000 0.216 425 A C 2.499 180.172 177.584 0.149 0.000 1.195 425 A CA 2.930 55.047 52.037 0.133 0.000 0.622 425 A CB -1.597 17.469 19.000 0.110 0.000 0.831 425 A HN 0.795 nan 8.150 nan 0.000 0.444 426 T N -2.394 112.233 114.554 0.121 0.000 2.788 426 T HA -0.114 4.242 4.350 0.011 0.000 0.268 426 T C 1.698 176.529 174.700 0.220 0.000 1.044 426 T CA 1.478 63.676 62.100 0.164 0.000 1.139 426 T CB -0.911 68.027 68.868 0.116 0.000 0.867 426 T HN 0.064 nan 8.240 nan 0.000 0.454 427 V N 2.851 122.867 119.914 0.171 0.000 2.332 427 V HA -0.197 3.930 4.120 0.011 0.000 0.248 427 V C 3.211 179.401 176.094 0.160 0.000 1.055 427 V CA 2.196 64.588 62.300 0.153 0.000 1.038 427 V CB -1.027 30.866 31.823 0.116 0.000 0.651 427 V HN 0.827 nan 8.190 nan 0.000 0.450 428 S N -0.440 115.365 115.700 0.174 0.000 2.423 428 S HA -0.200 4.277 4.470 0.011 0.000 0.231 428 S C 1.917 176.654 174.600 0.228 0.000 1.014 428 S CA 1.447 59.752 58.200 0.175 0.000 0.965 428 S CB -0.686 62.620 63.200 0.176 0.000 0.785 428 S HN 0.538 nan 8.310 nan 0.000 0.495 429 F N 1.788 121.804 119.950 0.109 0.000 2.325 429 F HA 0.216 4.749 4.527 0.010 0.000 0.299 429 F C 2.104 177.995 175.800 0.152 0.000 1.090 429 F CA 0.807 58.887 58.000 0.133 0.000 1.392 429 F CB -0.257 38.799 39.000 0.093 0.000 1.053 429 F HN 0.105 nan 8.300 nan 0.000 0.521 430 M N 0.078 119.765 119.600 0.146 0.000 2.175 430 M HA -0.120 4.367 4.480 0.011 0.000 0.264 430 M C 2.171 178.454 176.300 -0.029 0.000 1.063 430 M CA 1.316 56.641 55.300 0.041 0.000 1.119 430 M CB -1.098 31.569 32.600 0.112 0.000 1.377 430 M HN 0.061 nan 8.290 nan 0.000 0.415 431 K N -0.269 120.145 120.400 0.022 0.000 2.057 431 K HA -0.187 4.139 4.320 0.011 0.000 0.206 431 K C 1.988 178.572 176.600 -0.026 0.000 1.050 431 K CA 1.717 58.011 56.287 0.012 0.000 0.935 431 K CB -0.665 31.866 32.500 0.052 0.000 0.715 431 K HN 0.371 nan 8.250 nan 0.000 0.439 432 H N 0.112 119.109 119.070 -0.121 0.000 2.352 432 H HA -0.016 4.547 4.556 0.011 0.000 0.299 432 H C 1.729 176.904 175.328 -0.255 0.000 1.097 432 H CA 2.213 58.163 56.048 -0.165 0.000 1.311 432 H CB -0.192 29.451 29.762 -0.199 0.000 1.377 432 H HN 0.172 nan 8.280 nan 0.000 0.504 433 L N -0.224 120.705 121.223 -0.490 0.000 2.017 433 L HA -0.173 4.174 4.340 0.011 0.000 0.208 433 L C 2.330 179.034 176.870 -0.277 0.000 1.073 433 L CA 1.902 56.472 54.840 -0.450 0.000 0.745 433 L CB -0.503 41.347 42.059 -0.349 0.000 0.894 433 L HN 0.403 nan 8.230 nan 0.000 0.432 434 D N -0.230 120.061 120.400 -0.181 0.000 2.144 434 D HA -0.187 4.459 4.640 0.011 0.000 0.199 434 D C 1.859 178.087 176.300 -0.121 0.000 0.984 434 D CA 1.182 55.114 54.000 -0.114 0.000 0.834 434 D CB 0.114 40.875 40.800 -0.065 0.000 0.955 434 D HN 0.172 nan 8.370 nan 0.000 0.465 435 N N 0.441 119.053 118.700 -0.148 0.000 2.080 435 N HA -0.115 4.631 4.740 0.011 0.000 0.189 435 N C 1.627 177.047 175.510 -0.150 0.000 1.036 435 N CA 0.918 53.899 53.050 -0.115 0.000 0.846 435 N CB -0.361 38.081 38.487 -0.074 0.000 1.015 435 N HN 0.276 nan 8.380 nan 0.000 0.423 436 E N 0.698 120.727 120.200 -0.285 0.000 2.204 436 E HA -0.177 4.180 4.350 0.011 0.000 0.195 436 E C 1.832 178.333 176.600 -0.165 0.000 0.990 436 E CA 0.606 56.847 56.400 -0.265 0.000 0.821 436 E CB -0.112 29.325 29.700 -0.438 0.000 0.750 436 E HN 0.327 nan 8.360 nan 0.000 0.477 437 Q N 1.456 121.165 119.800 -0.151 0.000 2.096 437 Q HA -0.135 4.212 4.340 0.011 0.000 0.204 437 Q C 1.758 177.711 176.000 -0.077 0.000 0.982 437 Q CA 1.721 57.466 55.803 -0.098 0.000 0.850 437 Q CB 0.021 28.709 28.738 -0.083 0.000 0.901 437 Q HN 0.157 nan 8.270 nan 0.000 0.422 438 K N -0.943 119.413 120.400 -0.073 0.000 2.062 438 K HA 0.055 4.382 4.320 0.011 0.000 0.205 438 K C 2.009 178.580 176.600 -0.048 0.000 1.051 438 K CA 0.996 57.251 56.287 -0.053 0.000 0.941 438 K CB -0.146 32.329 32.500 -0.043 0.000 0.719 438 K HN 0.223 nan 8.250 nan 0.000 0.440 439 A N 1.176 123.966 122.820 -0.049 0.000 1.930 439 A HA -0.040 4.286 4.320 0.011 0.000 0.215 439 A C 1.777 179.336 177.584 -0.042 0.000 1.176 439 A CA 1.061 53.079 52.037 -0.031 0.000 0.632 439 A CB 0.018 19.015 19.000 -0.004 0.000 0.819 439 A HN 0.143 nan 8.150 nan 0.000 0.445 440 R N -2.607 117.855 120.500 -0.064 0.000 2.531 440 R HA 0.254 4.601 4.340 0.011 0.000 0.316 440 R C 0.905 177.166 176.300 -0.066 0.000 0.955 440 R CA 0.563 56.627 56.100 -0.060 0.000 1.120 440 R CB 0.734 30.994 30.300 -0.066 0.000 1.361 440 R HN 0.673 nan 8.270 nan 0.000 0.534 441 G N 0.812 109.567 108.800 -0.076 0.000 2.143 441 G HA2 -0.196 3.770 3.960 0.011 0.000 0.249 441 G HA3 -0.196 3.770 3.960 0.011 0.000 0.249 441 G C 0.234 175.096 174.900 -0.064 0.000 0.981 441 G CA 0.019 45.065 45.100 -0.090 0.000 0.665 441 G HN 0.730 nan 8.290 nan 0.000 0.528 442 G N -2.361 106.415 108.800 -0.040 0.000 2.337 442 G HA2 0.541 4.507 3.960 0.011 0.000 0.298 442 G HA3 0.541 4.507 3.960 0.011 0.000 0.298 442 G C -0.886 174.024 174.900 0.017 0.000 1.335 442 G CA 0.430 45.539 45.100 0.014 0.000 0.875 442 G HN 1.923 nan 8.290 nan 0.000 0.579 443 C N 1.990 121.330 119.300 0.066 0.000 2.817 443 C HA 0.711 5.178 4.460 0.011 0.000 0.385 443 C C -2.557 172.432 174.990 -0.001 0.000 1.050 443 C CA -1.169 57.848 59.018 -0.001 0.000 1.245 443 C CB 1.265 28.932 27.740 -0.123 0.000 1.706 443 C HN 0.711 nan 8.230 nan 0.000 0.488 444 P HA 0.405 nan 4.420 nan 0.000 0.271 444 P C -0.620 176.564 177.300 -0.193 0.000 1.233 444 P CA 0.598 63.324 63.100 -0.624 0.000 0.764 444 P CB 1.076 32.076 31.700 -1.167 0.000 0.825 445 A N 2.838 125.618 122.820 -0.065 0.000 2.486 445 A HA 0.411 4.737 4.320 0.011 0.000 0.300 445 A C -0.981 176.649 177.584 0.077 0.000 1.048 445 A CA -0.584 51.501 52.037 0.081 0.000 0.696 445 A CB 1.340 20.517 19.000 0.295 0.000 1.278 445 A HN 0.446 nan 8.150 nan 0.000 0.405 446 D N 1.916 122.348 120.400 0.053 0.000 2.456 446 D HA 0.132 4.779 4.640 0.011 0.000 0.219 446 D C 0.841 177.261 176.300 0.200 0.000 1.126 446 D CA -0.442 53.623 54.000 0.109 0.000 0.890 446 D CB 0.315 41.115 40.800 -0.000 0.000 1.025 446 D HN 0.586 nan 8.370 nan 0.000 0.511 447 W N 4.305 125.648 121.300 0.071 0.000 2.290 447 W HA -0.366 4.301 4.660 0.011 0.000 0.328 447 W C 2.071 178.625 176.519 0.059 0.000 1.272 447 W CA 2.871 60.242 57.345 0.043 0.000 1.262 447 W CB -0.258 29.201 29.460 -0.003 0.000 1.151 447 W HN 0.555 nan 8.180 nan 0.000 0.473 448 A N -1.456 121.603 122.820 0.398 0.000 2.032 448 A HA -0.227 4.100 4.320 0.011 0.000 0.221 448 A C 1.471 179.081 177.584 0.043 0.000 1.165 448 A CA 1.796 53.973 52.037 0.233 0.000 0.645 448 A CB -1.290 17.895 19.000 0.308 0.000 0.807 448 A HN 0.569 nan 8.150 nan 0.000 0.453 449 W N -1.277 119.970 121.300 -0.089 0.000 2.872 449 W HA 0.244 4.910 4.660 0.011 0.000 0.266 449 W C 1.773 178.161 176.519 -0.219 0.000 1.276 449 W CA -0.247 57.028 57.345 -0.117 0.000 1.471 449 W CB 0.045 29.468 29.460 -0.062 0.000 1.071 449 W HN 0.133 nan 8.180 nan 0.000 0.619 450 I N -0.280 120.227 120.570 -0.105 0.000 2.400 450 I HA -0.046 4.131 4.170 0.011 0.000 0.248 450 I C 0.742 176.647 176.117 -0.354 0.000 1.109 450 I CA 0.726 61.839 61.300 -0.311 0.000 1.425 450 I CB -1.395 36.360 38.000 -0.409 0.000 1.094 450 I HN -0.429 nan 8.210 nan 0.000 0.425 451 V N 3.914 123.520 119.914 -0.513 0.000 2.585 451 V HA 0.059 4.186 4.120 0.011 0.000 0.296 451 V C -1.951 173.961 176.094 -0.304 0.000 1.035 451 V CA -0.963 61.043 62.300 -0.489 0.000 1.084 451 V CB 0.037 31.327 31.823 -0.889 0.000 0.953 451 V HN 0.139 nan 8.190 nan 0.000 0.483 452 P HA 0.125 nan 4.420 nan 0.000 0.269 452 P C -1.754 175.419 177.300 -0.213 0.000 1.209 452 P CA -1.136 61.843 63.100 -0.202 0.000 0.776 452 P CB 0.072 31.659 31.700 -0.189 0.000 0.876 453 P HA -0.058 nan 4.420 nan 0.000 0.225 453 P C 0.257 177.442 177.300 -0.192 0.000 1.148 453 P CA 1.305 64.284 63.100 -0.201 0.000 0.779 453 P CB 0.015 31.590 31.700 -0.208 0.000 0.780 454 I N -6.886 113.530 120.570 -0.257 0.000 2.828 454 I HA 0.469 4.646 4.170 0.011 0.000 0.302 454 I C -0.058 175.930 176.117 -0.216 0.000 1.101 454 I CA -1.267 59.896 61.300 -0.228 0.000 1.031 454 I CB 2.015 39.858 38.000 -0.261 0.000 1.231 454 I HN -0.403 nan 8.210 nan 0.000 0.427 455 S N 2.256 117.891 115.700 -0.108 0.000 3.581 455 S HA -0.189 4.287 4.470 0.011 0.000 0.354 455 S C 1.330 175.906 174.600 -0.040 0.000 1.059 455 S CA 0.774 58.955 58.200 -0.031 0.000 1.060 455 S CB -1.661 61.591 63.200 0.088 0.000 0.908 455 S HN 1.257 nan 8.310 nan 0.000 0.475 456 G N 2.442 111.199 108.800 -0.071 0.000 2.672 456 G HA2 -0.319 3.648 3.960 0.011 0.000 0.218 456 G HA3 -0.319 3.648 3.960 0.011 0.000 0.218 456 G C 1.415 176.214 174.900 -0.170 0.000 1.238 456 G CA 1.483 46.567 45.100 -0.027 0.000 0.791 456 G HN 1.311 nan 8.290 nan 0.000 0.606 457 S N 0.385 115.664 115.700 -0.701 0.000 2.595 457 S HA 0.166 4.642 4.470 0.011 0.000 0.235 457 S C 1.995 176.519 174.600 -0.125 0.000 0.974 457 S CA 0.594 58.213 58.200 -0.967 0.000 0.942 457 S CB -0.171 62.296 63.200 -1.222 0.000 0.766 457 S HN 0.323 nan 8.310 nan 0.000 0.536 458 L N 1.721 122.930 121.223 -0.024 0.000 2.509 458 L HA 0.130 4.477 4.340 0.011 0.000 0.222 458 L C 1.233 178.226 176.870 0.205 0.000 1.123 458 L CA 0.486 55.397 54.840 0.118 0.000 0.856 458 L CB -0.712 41.441 42.059 0.158 0.000 0.985 458 L HN 0.478 nan 8.230 nan 0.000 0.456 459 T N -3.981 110.684 114.554 0.186 0.000 2.902 459 T HA 0.291 4.648 4.350 0.011 0.000 0.283 459 T C -1.638 173.242 174.700 0.300 0.000 1.009 459 T CA -1.993 60.237 62.100 0.216 0.000 1.051 459 T CB 1.826 70.772 68.868 0.130 0.000 0.999 459 T HN -0.172 nan 8.240 nan 0.000 0.474 460 P HA -0.068 nan 4.420 nan 0.000 0.223 460 P C 1.772 179.289 177.300 0.363 0.000 1.151 460 P CA 0.833 64.141 63.100 0.347 0.000 0.787 460 P CB -0.311 31.530 31.700 0.236 0.000 0.788 461 V N -3.504 116.575 119.914 0.275 0.000 2.490 461 V HA -0.208 3.919 4.120 0.011 0.000 0.250 461 V C 2.410 178.645 176.094 0.235 0.000 1.061 461 V CA 1.223 63.665 62.300 0.236 0.000 1.064 461 V CB -2.301 29.587 31.823 0.109 0.000 0.670 461 V HN -0.103 nan 8.190 nan 0.000 0.461 462 F N 1.778 121.744 119.950 0.026 0.000 2.120 462 F HA -0.217 4.317 4.527 0.011 0.000 0.300 462 F C 2.517 178.436 175.800 0.198 0.000 1.095 462 F CA 2.358 60.386 58.000 0.045 0.000 1.249 462 F CB -0.266 38.627 39.000 -0.179 0.000 0.995 462 F HN 0.269 nan 8.300 nan 0.000 0.480 463 H N -1.031 118.409 119.070 0.617 0.000 2.547 463 H HA 0.073 4.635 4.556 0.011 0.000 0.266 463 H C 0.308 175.898 175.328 0.437 0.000 0.988 463 H CA 0.295 56.649 56.048 0.509 0.000 1.147 463 H CB -0.232 29.788 29.762 0.431 0.000 1.365 463 H HN 0.259 nan 8.280 nan 0.000 0.589 464 Q N 2.101 122.182 119.800 0.468 0.000 2.368 464 Q HA 0.150 4.496 4.340 0.011 0.000 0.256 464 Q C -0.540 175.686 176.000 0.377 0.000 0.980 464 Q CA -0.411 55.616 55.803 0.373 0.000 0.887 464 Q CB 0.678 29.606 28.738 0.316 0.000 1.221 464 Q HN 0.253 nan 8.270 nan 0.000 0.458 465 E N 3.305 123.677 120.200 0.287 0.000 2.404 465 E HA 0.251 4.608 4.350 0.011 0.000 0.261 465 E C -0.448 176.285 176.600 0.220 0.000 1.074 465 E CA 0.301 56.823 56.400 0.204 0.000 0.917 465 E CB 0.785 30.584 29.700 0.164 0.000 0.965 465 E HN 0.595 nan 8.360 nan 0.000 0.433 466 M N 1.207 120.935 119.600 0.213 0.000 2.433 466 M HA 0.325 4.811 4.480 0.011 0.000 0.290 466 M C -1.274 175.135 176.300 0.182 0.000 1.173 466 M CA -0.925 54.512 55.300 0.228 0.000 0.905 466 M CB 2.436 35.232 32.600 0.326 0.000 1.692 466 M HN 0.155 nan 8.290 nan 0.000 0.462 467 V N 1.858 121.889 119.914 0.194 0.000 2.398 467 V HA 0.411 4.537 4.120 0.011 0.000 0.286 467 V C -0.504 175.720 176.094 0.217 0.000 1.026 467 V CA -0.658 61.785 62.300 0.238 0.000 0.868 467 V CB 1.541 33.554 31.823 0.316 0.000 0.982 467 V HN 0.875 nan 8.190 nan 0.000 0.443 468 N N 3.315 122.128 118.700 0.188 0.000 2.362 468 N HA 0.726 5.472 4.740 0.011 0.000 0.298 468 N C -1.661 173.938 175.510 0.149 0.000 1.048 468 N CA -0.462 52.607 53.050 0.032 0.000 0.858 468 N CB 1.807 40.318 38.487 0.041 0.000 1.218 468 N HN 0.736 nan 8.380 nan 0.000 0.488 469 Y N 0.551 120.869 120.300 0.030 0.000 2.702 469 Y HA 0.452 5.008 4.550 0.011 0.000 0.336 469 Y C -1.510 174.393 175.900 0.004 0.000 1.203 469 Y CA -1.201 56.912 58.100 0.021 0.000 1.072 469 Y CB 0.617 39.095 38.460 0.030 0.000 1.327 469 Y HN 0.179 nan 8.280 nan 0.000 0.456 470 I N 3.610 124.273 120.570 0.156 0.000 2.315 470 I HA 0.470 4.646 4.170 0.011 0.000 0.291 470 I C -0.690 175.496 176.117 0.115 0.000 1.006 470 I CA -0.581 60.756 61.300 0.061 0.000 1.265 470 I CB 1.098 39.116 38.000 0.030 0.000 1.387 470 I HN 0.449 nan 8.210 nan 0.000 0.475 471 L N 4.861 126.120 121.223 0.060 0.000 2.333 471 L HA 0.569 4.915 4.340 0.011 0.000 0.269 471 L C -0.055 176.818 176.870 0.005 0.000 1.010 471 L CA -0.522 54.360 54.840 0.070 0.000 0.818 471 L CB 2.129 44.235 42.059 0.079 0.000 1.306 471 L HN 0.545 nan 8.230 nan 0.000 0.430 472 S N 1.323 117.035 115.700 0.021 0.000 2.536 472 S HA 0.639 5.115 4.470 0.011 0.000 0.298 472 S C -2.530 172.088 174.600 0.029 0.000 1.083 472 S CA -1.441 56.754 58.200 -0.007 0.000 0.995 472 S CB 1.869 65.076 63.200 0.012 0.000 1.058 472 S HN 0.236 nan 8.310 nan 0.000 0.488 473 P HA 0.314 nan 4.420 nan 0.000 0.272 473 P C -1.277 175.898 177.300 -0.209 0.000 1.225 473 P CA 0.199 63.197 63.100 -0.170 0.000 0.800 473 P CB 0.330 31.875 31.700 -0.257 0.000 0.894 474 A N 0.120 122.755 122.820 -0.308 0.000 2.590 474 A HA 0.595 4.921 4.320 0.011 0.000 0.294 474 A C -1.713 175.625 177.584 -0.410 0.000 1.046 474 A CA -0.522 51.338 52.037 -0.295 0.000 0.684 474 A CB 0.456 19.368 19.000 -0.146 0.000 1.279 474 A HN 0.285 nan 8.150 nan 0.000 0.415 475 F N 1.100 120.949 119.950 -0.168 0.000 2.420 475 F HA 0.707 5.240 4.527 0.010 0.000 0.342 475 F C 1.012 176.692 175.800 -0.200 0.000 1.113 475 F CA 0.132 58.029 58.000 -0.172 0.000 1.059 475 F CB 1.825 40.677 39.000 -0.246 0.000 1.128 475 F HN 0.577 nan 8.300 nan 0.000 0.475 476 R N 1.578 122.087 120.500 0.015 0.000 2.837 476 R HA 0.475 4.821 4.340 0.011 0.000 0.271 476 R C -1.580 174.698 176.300 -0.038 0.000 0.993 476 R CA -1.218 54.833 56.100 -0.082 0.000 0.931 476 R CB 1.633 31.918 30.300 -0.024 0.000 1.206 476 R HN 0.400 nan 8.270 nan 0.000 0.474 477 Y N 1.316 121.637 120.300 0.035 0.000 2.300 477 Y HA 0.169 4.726 4.550 0.011 0.000 0.328 477 Y C 0.546 176.448 175.900 0.003 0.000 1.270 477 Y CA -0.130 57.984 58.100 0.023 0.000 1.352 477 Y CB 0.942 39.405 38.460 0.005 0.000 1.286 477 Y HN 0.453 nan 8.280 nan 0.000 0.536 478 Q N 1.086 120.986 119.800 0.166 0.000 2.456 478 Q HA 0.629 4.975 4.340 0.011 0.000 0.284 478 Q C -3.128 172.841 176.000 -0.052 0.000 1.061 478 Q CA -2.515 53.314 55.803 0.042 0.000 0.799 478 Q CB 2.056 30.811 28.738 0.030 0.000 1.445 478 Q HN 0.264 nan 8.270 nan 0.000 0.411 479 P HA 0.037 nan 4.420 nan 0.000 0.267 479 P C -0.925 176.156 177.300 -0.364 0.000 1.200 479 P CA 0.078 63.048 63.100 -0.216 0.000 0.772 479 P CB 0.407 31.997 31.700 -0.183 0.000 0.855 480 D N 3.858 123.896 120.400 -0.603 0.000 2.414 480 D HA -0.003 4.644 4.640 0.011 0.000 0.242 480 D C -0.971 174.717 176.300 -1.021 0.000 1.129 480 D CA -0.933 52.406 54.000 -1.101 0.000 0.885 480 D CB 0.450 40.030 40.800 -2.034 0.000 1.198 480 D HN 0.298 nan 8.370 nan 0.000 0.437 481 P HA -0.125 nan 4.420 nan 0.000 0.218 481 P C 0.514 177.487 177.300 -0.546 0.000 1.148 481 P CA 1.056 63.776 63.100 -0.634 0.000 0.822 481 P CB 0.096 31.413 31.700 -0.640 0.000 0.784 482 W N 0.000 120.880 121.300 -0.700 0.000 2.388 482 W HA 0.000 4.666 4.660 0.010 0.000 0.303 482 W CA 0.000 57.095 57.345 -0.417 0.000 1.226 482 W CB 0.000 29.177 29.460 -0.472 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535