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 8nse_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 3.966 3.960 0.010 0.000 0.244 67 G C 0.000 174.839 174.900 -0.101 0.000 0.946 67 G CA 0.000 45.071 45.100 -0.048 0.000 0.502 68 P HA 0.250 nan 4.420 nan 0.000 0.266 68 P C -0.174 177.038 177.300 -0.148 0.000 1.193 68 P CA 0.100 63.075 63.100 -0.208 0.000 0.770 68 P CB 0.863 32.261 31.700 -0.503 0.000 0.836 69 K N 2.543 122.721 120.400 -0.370 0.000 2.911 69 K HA 0.152 4.478 4.320 0.010 0.000 0.239 69 K C -0.888 175.215 176.600 -0.827 0.000 1.090 69 K CA -0.041 55.917 56.287 -0.548 0.000 1.225 69 K CB -0.486 31.647 32.500 -0.611 0.000 1.087 69 K HN 0.379 nan 8.250 nan 0.000 0.464 70 F N -0.389 119.584 119.950 0.040 0.000 2.629 70 F HA 0.382 4.915 4.527 0.010 0.000 0.316 70 F C -2.184 173.705 175.800 0.147 0.000 1.081 70 F CA -2.848 55.195 58.000 0.071 0.000 0.954 70 F CB 0.839 39.881 39.000 0.070 0.000 1.337 70 F HN -0.021 nan 8.300 nan 0.000 0.474 71 P HA 0.055 nan 4.420 nan 0.000 0.262 71 P C -0.877 176.529 177.300 0.176 0.000 1.182 71 P CA -0.032 63.180 63.100 0.187 0.000 0.761 71 P CB 0.454 32.237 31.700 0.137 0.000 0.795 72 R N 3.040 123.584 120.500 0.072 0.000 2.254 72 R HA 0.444 4.790 4.340 0.010 0.000 0.318 72 R C -1.215 174.989 176.300 -0.161 0.000 1.031 72 R CA -0.523 55.446 56.100 -0.219 0.000 0.905 72 R CB 0.509 30.718 30.300 -0.151 0.000 1.050 72 R HN 0.213 nan 8.270 nan 0.000 0.456 73 V N 4.798 124.573 119.914 -0.231 0.000 2.495 73 V HA 0.418 4.544 4.120 0.010 0.000 0.298 73 V C -0.415 175.593 176.094 -0.144 0.000 1.031 73 V CA -0.775 61.464 62.300 -0.101 0.000 0.871 73 V CB 1.604 33.407 31.823 -0.033 0.000 0.988 73 V HN 0.757 nan 8.190 nan 0.000 0.432 74 K N 3.454 123.799 120.400 -0.091 0.000 2.318 74 K HA 0.472 4.798 4.320 0.010 0.000 0.249 74 K C -0.843 175.680 176.600 -0.129 0.000 0.942 74 K CA -0.729 55.429 56.287 -0.214 0.000 0.808 74 K CB 1.806 34.033 32.500 -0.455 0.000 1.189 74 K HN 0.720 nan 8.250 nan 0.000 0.428 75 N N 3.941 122.542 118.700 -0.166 0.000 2.476 75 N HA 0.115 4.861 4.740 0.010 0.000 0.257 75 N C -0.407 175.054 175.510 -0.081 0.000 0.970 75 N CA -0.409 52.652 53.050 0.019 0.000 0.938 75 N CB 0.485 39.002 38.487 0.051 0.000 1.144 75 N HN 0.681 nan 8.380 nan 0.000 0.500 76 W N 2.152 123.533 121.300 0.136 0.000 2.825 76 W HA 0.116 4.782 4.660 0.010 0.000 0.243 76 W C 2.012 178.588 176.519 0.095 0.000 1.293 76 W CA -0.071 57.347 57.345 0.121 0.000 1.403 76 W CB 0.221 29.776 29.460 0.158 0.000 1.134 76 W HN 0.658 nan 8.180 nan 0.000 0.666 77 E N 0.456 120.792 120.200 0.227 0.000 2.060 77 E HA -0.096 4.260 4.350 0.010 0.000 0.189 77 E C 1.680 178.298 176.600 0.031 0.000 0.974 77 E CA 0.982 57.420 56.400 0.063 0.000 0.808 77 E CB -0.220 29.481 29.700 0.001 0.000 0.768 77 E HN 0.242 nan 8.360 nan 0.000 0.453 78 L N -0.709 120.528 121.223 0.025 0.000 2.585 78 L HA 0.322 4.667 4.340 0.010 0.000 0.226 78 L C 1.456 178.300 176.870 -0.043 0.000 1.113 78 L CA 0.359 55.196 54.840 -0.006 0.000 0.876 78 L CB 0.497 42.556 42.059 0.001 0.000 1.072 78 L HN 0.386 nan 8.230 nan 0.000 0.468 79 G N 0.740 109.490 108.800 -0.085 0.000 2.175 79 G HA2 -0.332 3.634 3.960 0.010 0.000 0.265 79 G HA3 -0.332 3.634 3.960 0.010 0.000 0.265 79 G C 0.442 175.237 174.900 -0.175 0.000 0.979 79 G CA 0.547 45.547 45.100 -0.167 0.000 0.663 79 G HN 0.501 nan 8.290 nan 0.000 0.533 80 S N -0.260 115.361 115.700 -0.131 0.000 2.603 80 S HA 0.780 5.255 4.470 0.010 0.000 0.268 80 S C 0.188 174.694 174.600 -0.156 0.000 1.317 80 S CA -0.660 57.472 58.200 -0.113 0.000 1.012 80 S CB 2.012 65.171 63.200 -0.067 0.000 0.926 80 S HN 0.420 nan 8.310 nan 0.000 0.539 81 I N 1.704 122.190 120.570 -0.140 0.000 2.689 81 I HA 0.605 4.781 4.170 0.010 0.000 0.299 81 I C 0.137 176.152 176.117 -0.170 0.000 1.059 81 I CA -0.219 60.964 61.300 -0.194 0.000 1.055 81 I CB 1.856 39.731 38.000 -0.208 0.000 1.243 81 I HN 1.084 nan 8.210 nan 0.000 0.425 82 T N 1.345 115.744 114.554 -0.257 0.000 2.843 82 T HA 0.679 5.035 4.350 0.010 0.000 0.302 82 T C -1.370 173.126 174.700 -0.340 0.000 1.232 82 T CA -0.749 61.249 62.100 -0.171 0.000 1.009 82 T CB 1.868 70.691 68.868 -0.076 0.000 1.254 82 T HN 0.264 nan 8.240 nan 0.000 0.504 83 Y N 0.179 120.474 120.300 -0.009 0.000 2.376 83 Y HA 0.521 5.076 4.550 0.010 0.000 0.340 83 Y C -0.149 175.724 175.900 -0.044 0.000 0.965 83 Y CA -0.905 57.203 58.100 0.012 0.000 1.078 83 Y CB 1.834 40.320 38.460 0.043 0.000 1.193 83 Y HN 0.718 nan 8.280 nan 0.000 0.452 84 D N 1.887 122.359 120.400 0.120 0.000 2.396 84 D HA 0.089 4.735 4.640 0.010 0.000 0.225 84 D C 0.714 176.950 176.300 -0.107 0.000 1.121 84 D CA 0.058 54.069 54.000 0.019 0.000 0.853 84 D CB 1.312 42.160 40.800 0.080 0.000 1.043 84 D HN 0.787 nan 8.370 nan 0.000 0.500 85 T N 1.101 115.452 114.554 -0.339 0.000 3.022 85 T HA -0.043 4.313 4.350 0.010 0.000 0.250 85 T C 1.794 176.293 174.700 -0.334 0.000 1.060 85 T CA -0.167 61.519 62.100 -0.690 0.000 1.013 85 T CB 0.044 68.313 68.868 -0.998 0.000 0.982 85 T HN 0.248 nan 8.240 nan 0.000 0.508 86 L N 2.211 123.303 121.223 -0.219 0.000 2.201 86 L HA 0.099 4.445 4.340 0.010 0.000 0.212 86 L C 2.617 179.303 176.870 -0.308 0.000 1.105 86 L CA 1.342 56.092 54.840 -0.151 0.000 0.775 86 L CB -0.870 41.186 42.059 -0.004 0.000 0.913 86 L HN 0.672 nan 8.230 nan 0.000 0.440 87 C N -1.556 117.365 119.300 -0.632 0.000 2.419 87 C HA 0.117 4.583 4.460 0.010 0.000 0.283 87 C C 2.738 177.484 174.990 -0.408 0.000 1.373 87 C CA 0.132 58.487 59.018 -1.104 0.000 1.781 87 C CB -2.147 24.948 27.740 -1.074 0.000 1.886 87 C HN 0.565 nan 8.230 nan 0.000 0.520 88 A N -0.061 122.657 122.820 -0.169 0.000 2.172 88 A HA -0.050 4.276 4.320 0.010 0.000 0.216 88 A C 2.259 179.824 177.584 -0.032 0.000 1.154 88 A CA 1.120 53.144 52.037 -0.022 0.000 0.701 88 A CB -0.459 18.616 19.000 0.125 0.000 0.789 88 A HN 0.751 nan 8.150 nan 0.000 0.465 89 Q N -0.163 119.596 119.800 -0.068 0.000 2.360 89 Q HA 0.072 4.418 4.340 0.010 0.000 0.202 89 Q C 0.545 176.553 176.000 0.014 0.000 0.915 89 Q CA 0.207 56.001 55.803 -0.015 0.000 0.943 89 Q CB 0.121 28.856 28.738 -0.006 0.000 1.064 89 Q HN 0.530 nan 8.270 nan 0.000 0.511 90 S N 1.138 116.834 115.700 -0.007 0.000 2.505 90 S HA 0.070 4.546 4.470 0.010 0.000 0.276 90 S C 0.475 175.102 174.600 0.045 0.000 1.274 90 S CA -0.135 58.099 58.200 0.058 0.000 1.053 90 S CB 0.531 63.781 63.200 0.084 0.000 0.919 90 S HN 0.046 nan 8.310 nan 0.000 0.490 91 Q N 3.181 123.015 119.800 0.057 0.000 2.211 91 Q HA 0.283 4.629 4.340 0.010 0.000 0.301 91 Q C -0.673 175.355 176.000 0.046 0.000 0.884 91 Q CA 0.041 55.872 55.803 0.047 0.000 1.115 91 Q CB 0.568 29.335 28.738 0.049 0.000 1.217 91 Q HN 0.861 nan 8.270 nan 0.000 0.451 92 Q N 0.960 120.791 119.800 0.052 0.000 2.444 92 Q HA 0.155 4.501 4.340 0.010 0.000 0.239 92 Q C -1.382 174.650 176.000 0.053 0.000 0.853 92 Q CA -0.297 55.534 55.803 0.047 0.000 0.856 92 Q CB 1.075 29.839 28.738 0.043 0.000 1.413 92 Q HN 0.033 nan 8.270 nan 0.000 0.437 93 D N 2.227 122.653 120.400 0.044 0.000 2.419 93 D HA 0.154 4.800 4.640 0.010 0.000 0.236 93 D C 0.500 176.829 176.300 0.048 0.000 1.165 93 D CA 0.857 54.884 54.000 0.046 0.000 0.882 93 D CB 0.960 41.781 40.800 0.035 0.000 1.201 93 D HN 0.652 nan 8.370 nan 0.000 0.443 94 G N 0.336 109.168 108.800 0.054 0.000 2.736 94 G HA2 0.347 4.313 3.960 0.010 0.000 0.229 94 G HA3 0.347 4.313 3.960 0.010 0.000 0.229 94 G C -1.738 173.189 174.900 0.044 0.000 1.380 94 G CA -0.586 44.544 45.100 0.051 0.000 1.040 94 G HN 0.304 nan 8.290 nan 0.000 0.568 95 P HA 0.156 nan 4.420 nan 0.000 0.239 95 P C 0.453 177.776 177.300 0.037 0.000 1.188 95 P CA 0.048 63.172 63.100 0.040 0.000 0.794 95 P CB 0.177 31.903 31.700 0.043 0.000 0.937 96 C N 0.820 120.145 119.300 0.041 0.000 2.563 96 C HA 0.591 5.056 4.460 0.010 0.000 0.358 96 C C 1.030 176.039 174.990 0.031 0.000 1.336 96 C CA 0.238 59.277 59.018 0.036 0.000 2.454 96 C CB 0.635 28.400 27.740 0.041 0.000 2.448 96 C HN 0.365 nan 8.230 nan 0.000 0.670 97 T N -2.479 112.090 114.554 0.025 0.000 2.821 97 T HA 0.371 4.727 4.350 0.010 0.000 0.306 97 T C -2.560 172.150 174.700 0.017 0.000 1.313 97 T CA -0.961 61.151 62.100 0.020 0.000 1.012 97 T CB 1.215 70.094 68.868 0.017 0.000 1.298 97 T HN 0.256 nan 8.240 nan 0.000 0.502 98 P HA -0.032 nan 4.420 nan 0.000 0.219 98 P C 1.530 178.835 177.300 0.009 0.000 1.146 98 P CA 0.677 63.784 63.100 0.011 0.000 0.808 98 P CB 0.155 31.860 31.700 0.008 0.000 0.779 99 R N -0.007 120.498 120.500 0.009 0.000 2.057 99 R HA -0.062 4.284 4.340 0.010 0.000 0.229 99 R C 0.730 177.035 176.300 0.008 0.000 1.136 99 R CA 1.076 57.181 56.100 0.007 0.000 0.952 99 R CB 0.098 30.402 30.300 0.008 0.000 0.848 99 R HN 0.060 nan 8.270 nan 0.000 0.430 100 R N 0.192 120.698 120.500 0.010 0.000 2.698 100 R HA 0.223 4.569 4.340 0.010 0.000 0.275 100 R C -1.684 174.625 176.300 0.015 0.000 1.001 100 R CA -0.739 55.367 56.100 0.011 0.000 0.896 100 R CB 0.488 30.795 30.300 0.011 0.000 1.218 100 R HN 0.172 nan 8.270 nan 0.000 0.462 101 C N 4.060 123.368 119.300 0.014 0.000 2.307 101 C HA 0.554 5.020 4.460 0.010 0.000 0.340 101 C C 0.629 175.635 174.990 0.026 0.000 1.275 101 C CA -0.709 58.321 59.018 0.020 0.000 1.811 101 C CB -0.865 26.883 27.740 0.012 0.000 2.372 101 C HN 0.771 nan 8.230 nan 0.000 0.531 102 L N 5.949 127.193 121.223 0.035 0.000 3.062 102 L HA 0.293 4.638 4.340 0.010 0.000 0.255 102 L C 1.912 178.817 176.870 0.058 0.000 1.274 102 L CA 0.127 54.993 54.840 0.043 0.000 1.047 102 L CB -0.097 41.986 42.059 0.040 0.000 1.402 102 L HN 1.020 nan 8.230 nan 0.000 0.550 103 G N 0.056 108.892 108.800 0.061 0.000 2.625 103 G HA2 -0.187 3.778 3.960 0.010 0.000 0.214 103 G HA3 -0.187 3.778 3.960 0.010 0.000 0.214 103 G C 1.405 176.376 174.900 0.118 0.000 1.132 103 G CA 0.988 46.137 45.100 0.083 0.000 0.782 103 G HN 0.514 nan 8.290 nan 0.000 0.538 104 S N -0.647 115.119 115.700 0.109 0.000 2.556 104 S HA 0.357 4.833 4.470 0.010 0.000 0.216 104 S C 0.453 175.141 174.600 0.148 0.000 0.970 104 S CA -0.517 57.767 58.200 0.140 0.000 0.912 104 S CB 0.155 63.417 63.200 0.103 0.000 0.790 104 S HN -0.045 nan 8.310 nan 0.000 0.504 105 L N 2.444 123.740 121.223 0.121 0.000 2.367 105 L HA 0.301 4.647 4.340 0.010 0.000 0.275 105 L C 1.421 178.384 176.870 0.155 0.000 1.129 105 L CA 0.039 54.946 54.840 0.112 0.000 0.839 105 L CB 0.701 42.806 42.059 0.076 0.000 1.133 105 L HN -0.009 nan 8.230 nan 0.000 0.453 106 V N 3.864 123.881 119.914 0.170 0.000 2.307 106 V HA -0.136 3.990 4.120 0.010 0.000 0.245 106 V C 1.042 177.199 176.094 0.105 0.000 1.045 106 V CA 1.403 63.836 62.300 0.221 0.000 1.024 106 V CB -0.322 31.625 31.823 0.205 0.000 0.651 106 V HN 0.559 nan 8.190 nan 0.000 0.449 107 L N 2.452 123.696 121.223 0.034 0.000 2.637 107 L HA 0.367 4.712 4.340 0.010 0.000 0.241 107 L C -2.412 174.475 176.870 0.028 0.000 1.398 107 L CA -1.101 53.733 54.840 -0.010 0.000 0.895 107 L CB 0.832 42.815 42.059 -0.126 0.000 1.183 107 L HN 0.236 nan 8.230 nan 0.000 0.497 108 P HA 0.181 nan 4.420 nan 0.000 0.280 108 P C -0.456 176.872 177.300 0.047 0.000 1.244 108 P CA -0.592 62.535 63.100 0.046 0.000 0.784 108 P CB 0.951 32.682 31.700 0.051 0.000 0.913 109 R N 3.663 124.182 120.500 0.033 0.000 2.630 109 R HA 0.066 4.412 4.340 0.010 0.000 0.286 109 R C 0.742 177.062 176.300 0.034 0.000 1.391 109 R CA 0.252 56.370 56.100 0.031 0.000 1.027 109 R CB -0.300 30.011 30.300 0.018 0.000 1.099 109 R HN 0.479 nan 8.270 nan 0.000 0.525 110 K N 0.836 121.263 120.400 0.044 0.000 2.755 110 K HA 0.136 4.462 4.320 0.010 0.000 0.214 110 K C 1.764 178.384 176.600 0.034 0.000 1.572 110 K CA 0.077 56.386 56.287 0.037 0.000 1.020 110 K CB -0.400 32.124 32.500 0.039 0.000 1.905 110 K HN 0.091 nan 8.250 nan 0.000 0.467 111 L N 2.250 123.496 121.223 0.038 0.000 2.141 111 L HA 0.023 4.369 4.340 0.010 0.000 0.209 111 L C 1.033 177.921 176.870 0.031 0.000 1.094 111 L CA 0.759 55.612 54.840 0.022 0.000 0.763 111 L CB -0.820 41.237 42.059 -0.004 0.000 0.908 111 L HN 0.220 nan 8.230 nan 0.000 0.437 112 Q N 1.208 121.042 119.800 0.057 0.000 2.658 112 Q HA -0.134 4.212 4.340 0.010 0.000 0.367 112 Q C 0.170 176.183 176.000 0.022 0.000 1.107 112 Q CA 1.006 56.841 55.803 0.052 0.000 1.128 112 Q CB 0.152 28.917 28.738 0.045 0.000 1.099 112 Q HN 0.383 nan 8.270 nan 0.000 0.418 113 T N 2.302 116.865 114.554 0.014 0.000 3.336 113 T HA 0.467 4.823 4.350 0.010 0.000 0.384 113 T C -0.221 174.470 174.700 -0.015 0.000 1.704 113 T CA -1.004 61.094 62.100 -0.002 0.000 1.334 113 T CB 0.404 69.268 68.868 -0.006 0.000 1.131 113 T HN 0.470 nan 8.240 nan 0.000 0.684 114 R N 3.379 123.870 120.500 -0.016 0.000 2.502 114 R HA 0.220 4.566 4.340 0.010 0.000 0.292 114 R C -2.374 173.910 176.300 -0.027 0.000 0.998 114 R CA -1.765 54.320 56.100 -0.026 0.000 1.056 114 R CB -0.515 29.773 30.300 -0.020 0.000 0.939 114 R HN 0.376 nan 8.270 nan 0.000 0.411 115 P HA -0.092 nan 4.420 nan 0.000 0.238 115 P C -0.897 176.389 177.300 -0.024 0.000 1.090 115 P CA 0.720 63.800 63.100 -0.033 0.000 0.944 115 P CB 0.093 31.769 31.700 -0.040 0.000 0.881 116 S N 5.407 121.094 115.700 -0.022 0.000 2.533 116 S HA 0.060 4.536 4.470 0.010 0.000 0.282 116 S C -0.783 173.808 174.600 -0.015 0.000 1.304 116 S CA -0.717 57.473 58.200 -0.017 0.000 1.063 116 S CB 0.346 63.535 63.200 -0.018 0.000 0.881 116 S HN 0.387 nan 8.310 nan 0.000 0.493 117 P HA 0.020 nan 4.420 nan 0.000 0.215 117 P C 0.784 178.080 177.300 -0.008 0.000 1.157 117 P CA 0.956 64.052 63.100 -0.007 0.000 0.868 117 P CB 0.065 31.763 31.700 -0.003 0.000 0.788 118 G N -1.986 106.809 108.800 -0.008 0.000 3.176 118 G HA2 0.534 4.499 3.960 0.010 0.000 0.272 118 G HA3 0.534 4.499 3.960 0.010 0.000 0.272 118 G C -2.870 172.023 174.900 -0.013 0.000 1.349 118 G CA -1.197 43.898 45.100 -0.008 0.000 0.953 118 G HN -0.162 nan 8.290 nan 0.000 0.559 119 P HA 0.239 nan 4.420 nan 0.000 0.266 119 P C -2.221 175.074 177.300 -0.007 0.000 1.193 119 P CA -0.432 62.659 63.100 -0.014 0.000 0.770 119 P CB 0.020 31.718 31.700 -0.004 0.000 0.836 120 P HA 0.126 nan 4.420 nan 0.000 0.270 120 P C -2.348 174.959 177.300 0.012 0.000 1.227 120 P CA -0.882 62.219 63.100 0.001 0.000 0.788 120 P CB -0.945 30.757 31.700 0.004 0.000 0.926 121 P HA -0.078 nan 4.420 nan 0.000 0.260 121 P C 0.659 177.973 177.300 0.023 0.000 1.185 121 P CA 0.668 63.778 63.100 0.016 0.000 0.763 121 P CB 0.075 31.784 31.700 0.015 0.000 0.776 122 A N 4.365 127.198 122.820 0.023 0.000 1.944 122 A HA -0.337 3.989 4.320 0.010 0.000 0.222 122 A C 2.174 179.775 177.584 0.029 0.000 1.237 122 A CA 2.474 54.528 52.037 0.028 0.000 0.668 122 A CB -1.152 17.862 19.000 0.023 0.000 0.830 122 A HN 0.529 nan 8.150 nan 0.000 0.471 123 E N -0.684 119.530 120.200 0.023 0.000 2.028 123 E HA -0.201 4.155 4.350 0.010 0.000 0.191 123 E C 2.254 178.871 176.600 0.028 0.000 0.988 123 E CA 1.678 58.091 56.400 0.022 0.000 0.799 123 E CB -0.470 29.240 29.700 0.017 0.000 0.755 123 E HN 0.720 nan 8.360 nan 0.000 0.447 124 Q N -0.204 119.613 119.800 0.028 0.000 2.045 124 Q HA -0.217 4.129 4.340 0.010 0.000 0.206 124 Q C 2.180 178.208 176.000 0.047 0.000 0.991 124 Q CA 1.970 57.792 55.803 0.033 0.000 0.851 124 Q CB -0.395 28.359 28.738 0.027 0.000 0.911 124 Q HN 0.379 nan 8.270 nan 0.000 0.418 125 L N 0.459 121.713 121.223 0.053 0.000 2.261 125 L HA -0.152 4.194 4.340 0.010 0.000 0.216 125 L C 1.972 178.904 176.870 0.103 0.000 1.114 125 L CA 1.308 56.197 54.840 0.083 0.000 0.777 125 L CB -0.459 41.651 42.059 0.085 0.000 0.910 125 L HN 0.356 nan 8.230 nan 0.000 0.440 126 L N -1.023 120.239 121.223 0.065 0.000 2.044 126 L HA -0.123 4.223 4.340 0.010 0.000 0.205 126 L C 2.631 179.527 176.870 0.043 0.000 1.075 126 L CA 1.826 56.690 54.840 0.040 0.000 0.747 126 L CB -1.052 41.019 42.059 0.020 0.000 0.903 126 L HN 0.520 nan 8.230 nan 0.000 0.435 127 S N -0.695 115.034 115.700 0.047 0.000 2.353 127 S HA -0.282 4.194 4.470 0.010 0.000 0.222 127 S C 1.803 176.452 174.600 0.081 0.000 1.035 127 S CA 1.191 59.422 58.200 0.052 0.000 1.025 127 S CB -0.564 62.662 63.200 0.045 0.000 0.902 127 S HN 0.429 nan 8.310 nan 0.000 0.440 128 Q N 1.346 121.203 119.800 0.095 0.000 2.030 128 Q HA -0.089 4.257 4.340 0.010 0.000 0.204 128 Q C 2.644 178.759 176.000 0.191 0.000 0.986 128 Q CA 1.598 57.477 55.803 0.128 0.000 0.843 128 Q CB -0.601 28.203 28.738 0.110 0.000 0.904 128 Q HN 0.714 nan 8.270 nan 0.000 0.420 129 A N 0.977 123.913 122.820 0.195 0.000 1.908 129 A HA -0.213 4.113 4.320 0.010 0.000 0.218 129 A C 1.969 179.643 177.584 0.150 0.000 1.181 129 A CA 1.487 53.654 52.037 0.217 0.000 0.627 129 A CB -0.444 18.575 19.000 0.031 0.000 0.818 129 A HN 0.225 nan 8.150 nan 0.000 0.445 130 R N -0.841 119.708 120.500 0.082 0.000 2.148 130 R HA -0.129 4.217 4.340 0.010 0.000 0.227 130 R C 1.880 178.255 176.300 0.124 0.000 1.103 130 R CA 1.467 57.608 56.100 0.070 0.000 0.983 130 R CB -0.286 30.031 30.300 0.029 0.000 0.874 130 R HN 0.786 nan 8.270 nan 0.000 0.451 131 D N -0.101 120.389 120.400 0.151 0.000 2.103 131 D HA -0.181 4.465 4.640 0.010 0.000 0.199 131 D C 1.654 178.077 176.300 0.206 0.000 0.978 131 D CA 0.702 54.796 54.000 0.158 0.000 0.829 131 D CB -0.042 40.848 40.800 0.149 0.000 0.981 131 D HN 0.108 nan 8.370 nan 0.000 0.464 132 F N 1.123 121.165 119.950 0.154 0.000 2.102 132 F HA -0.113 4.419 4.527 0.009 0.000 0.298 132 F C 1.892 177.831 175.800 0.233 0.000 1.105 132 F CA 1.141 59.265 58.000 0.206 0.000 1.239 132 F CB -0.284 38.849 39.000 0.221 0.000 0.991 132 F HN -0.002 nan 8.300 nan 0.000 0.474 133 I N 1.009 121.611 120.570 0.053 0.000 2.208 133 I HA -0.333 3.843 4.170 0.010 0.000 0.245 133 I C 2.055 178.206 176.117 0.056 0.000 1.097 133 I CA 1.331 62.657 61.300 0.043 0.000 1.363 133 I CB -1.719 36.405 38.000 0.207 0.000 1.051 133 I HN 0.241 nan 8.210 nan 0.000 0.413 134 N N 0.939 119.707 118.700 0.113 0.000 2.104 134 N HA -0.205 4.541 4.740 0.010 0.000 0.190 134 N C 1.855 177.300 175.510 -0.108 0.000 1.024 134 N CA 1.155 54.247 53.050 0.070 0.000 0.853 134 N CB -0.377 38.192 38.487 0.136 0.000 1.008 134 N HN 0.508 nan 8.380 nan 0.000 0.424 135 Q N -0.703 119.038 119.800 -0.099 0.000 2.084 135 Q HA -0.183 4.163 4.340 0.010 0.000 0.202 135 Q C 1.785 177.523 176.000 -0.437 0.000 0.978 135 Q CA 1.303 57.035 55.803 -0.117 0.000 0.844 135 Q CB -0.234 28.562 28.738 0.096 0.000 0.898 135 Q HN 0.467 nan 8.270 nan 0.000 0.426 136 Y N -0.088 119.724 120.300 -0.813 0.000 2.114 136 Y HA -0.286 4.269 4.550 0.008 0.000 0.284 136 Y C 1.730 177.090 175.900 -0.899 0.000 1.143 136 Y CA 1.597 58.976 58.100 -1.203 0.000 1.135 136 Y CB -0.465 37.392 38.460 -1.005 0.000 0.980 136 Y HN 0.084 nan 8.280 nan 0.000 0.499 137 Y N -0.426 119.464 120.300 -0.684 0.000 2.274 137 Y HA -0.204 4.353 4.550 0.011 0.000 0.290 137 Y C 2.773 178.329 175.900 -0.573 0.000 1.145 137 Y CA 1.763 59.444 58.100 -0.697 0.000 1.203 137 Y CB -0.534 37.415 38.460 -0.851 0.000 0.984 137 Y HN 0.090 nan 8.280 nan 0.000 0.533 138 S N -0.894 114.579 115.700 -0.378 0.000 2.406 138 S HA -0.164 4.311 4.470 0.010 0.000 0.228 138 S C 2.233 176.658 174.600 -0.291 0.000 1.020 138 S CA 1.106 59.154 58.200 -0.254 0.000 0.965 138 S CB -0.475 62.631 63.200 -0.157 0.000 0.798 138 S HN 0.624 nan 8.310 nan 0.000 0.488 139 S N 2.391 117.822 115.700 -0.448 0.000 2.423 139 S HA -0.042 4.434 4.470 0.010 0.000 0.231 139 S C 1.572 175.935 174.600 -0.395 0.000 1.014 139 S CA 0.965 58.938 58.200 -0.378 0.000 0.965 139 S CB -0.745 62.096 63.200 -0.598 0.000 0.785 139 S HN 0.724 nan 8.310 nan 0.000 0.495 140 I N -3.365 116.865 120.570 -0.567 0.000 3.928 140 I HA 0.416 4.592 4.170 0.010 0.000 0.335 140 I C -0.236 175.713 176.117 -0.281 0.000 1.325 140 I CA -0.526 60.498 61.300 -0.460 0.000 1.107 140 I CB -0.038 37.556 38.000 -0.677 0.000 1.014 140 I HN -0.124 nan 8.210 nan 0.000 0.400 141 K N 2.125 122.387 120.400 -0.229 0.000 3.071 141 K HA -0.149 4.177 4.320 0.010 0.000 0.265 141 K C 0.062 176.607 176.600 -0.090 0.000 1.060 141 K CA 0.479 56.686 56.287 -0.133 0.000 0.767 141 K CB -1.551 30.890 32.500 -0.098 0.000 1.241 141 K HN 0.562 nan 8.250 nan 0.000 0.486 142 R N -0.672 119.779 120.500 -0.081 0.000 2.629 142 R HA 0.090 4.436 4.340 0.010 0.000 0.408 142 R C 0.195 176.535 176.300 0.067 0.000 1.057 142 R CA -0.248 55.866 56.100 0.024 0.000 1.119 142 R CB 0.852 31.215 30.300 0.104 0.000 1.403 142 R HN 0.171 nan 8.270 nan 0.000 0.576 143 S N 0.005 115.705 115.700 0.001 0.000 2.546 143 S HA 0.223 4.699 4.470 0.010 0.000 0.290 143 S C 1.344 176.040 174.600 0.160 0.000 1.290 143 S CA 1.545 59.776 58.200 0.051 0.000 1.069 143 S CB 0.287 63.489 63.200 0.002 0.000 0.846 143 S HN 0.731 nan 8.310 nan 0.000 0.495 144 G N 2.994 112.003 108.800 0.349 0.000 2.179 144 G HA2 -0.281 3.685 3.960 0.010 0.000 0.260 144 G HA3 -0.281 3.685 3.960 0.010 0.000 0.260 144 G C 0.244 175.155 174.900 0.019 0.000 0.977 144 G CA 0.548 45.700 45.100 0.086 0.000 0.641 144 G HN 1.614 nan 8.290 nan 0.000 0.533 145 S N -0.911 114.821 115.700 0.053 0.000 2.645 145 S HA 0.517 4.993 4.470 0.010 0.000 0.266 145 S C 1.298 175.873 174.600 -0.043 0.000 1.258 145 S CA 0.646 58.852 58.200 0.010 0.000 0.990 145 S CB 1.626 64.855 63.200 0.048 0.000 0.967 145 S HN 0.423 nan 8.310 nan 0.000 0.556 146 Q N 0.603 120.385 119.800 -0.030 0.000 2.061 146 Q HA -0.162 4.184 4.340 0.010 0.000 0.204 146 Q C 2.275 178.241 176.000 -0.057 0.000 0.984 146 Q CA 1.786 57.563 55.803 -0.044 0.000 0.846 146 Q CB -0.807 27.919 28.738 -0.018 0.000 0.902 146 Q HN 0.938 nan 8.270 nan 0.000 0.421 147 A N 0.304 123.114 122.820 -0.017 0.000 1.883 147 A HA -0.261 4.065 4.320 0.010 0.000 0.217 147 A C 1.931 179.386 177.584 -0.214 0.000 1.186 147 A CA 1.810 53.852 52.037 0.007 0.000 0.624 147 A CB -1.191 17.916 19.000 0.178 0.000 0.822 147 A HN 0.719 nan 8.150 nan 0.000 0.444 148 H N -0.732 117.934 119.070 -0.674 0.000 2.290 148 H HA -0.145 4.417 4.556 0.010 0.000 0.298 148 H C 1.955 176.929 175.328 -0.590 0.000 1.087 148 H CA 1.421 56.696 56.048 -1.289 0.000 1.291 148 H CB 0.070 29.297 29.762 -0.892 0.000 1.369 148 H HN 0.426 nan 8.280 nan 0.000 0.492 149 E N 0.552 120.516 120.200 -0.393 0.000 2.153 149 E HA -0.155 4.201 4.350 0.010 0.000 0.194 149 E C 2.093 178.573 176.600 -0.201 0.000 0.988 149 E CA 1.021 57.219 56.400 -0.337 0.000 0.811 149 E CB -0.087 29.470 29.700 -0.238 0.000 0.746 149 E HN 0.714 nan 8.360 nan 0.000 0.466 150 E N 0.345 120.458 120.200 -0.144 0.000 2.107 150 E HA -0.149 4.206 4.350 0.010 0.000 0.191 150 E C 2.149 178.719 176.600 -0.050 0.000 0.982 150 E CA 0.574 56.929 56.400 -0.075 0.000 0.809 150 E CB -0.057 29.621 29.700 -0.036 0.000 0.756 150 E HN -0.073 nan 8.360 nan 0.000 0.459 151 R N 1.368 121.839 120.500 -0.048 0.000 2.120 151 R HA -0.077 4.269 4.340 0.010 0.000 0.234 151 R C 1.965 178.260 176.300 -0.008 0.000 1.123 151 R CA 1.030 57.149 56.100 0.031 0.000 0.975 151 R CB -0.438 29.955 30.300 0.155 0.000 0.866 151 R HN 0.164 nan 8.270 nan 0.000 0.446 152 L N -0.133 121.047 121.223 -0.071 0.000 2.005 152 L HA -0.162 4.184 4.340 0.010 0.000 0.207 152 L C 2.506 179.328 176.870 -0.081 0.000 1.072 152 L CA 1.653 56.440 54.840 -0.087 0.000 0.744 152 L CB -0.486 41.478 42.059 -0.159 0.000 0.895 152 L HN 0.286 nan 8.230 nan 0.000 0.433 153 Q N -0.329 119.424 119.800 -0.078 0.000 2.096 153 Q HA -0.290 4.056 4.340 0.010 0.000 0.204 153 Q C 2.106 178.083 176.000 -0.038 0.000 0.982 153 Q CA 1.884 57.653 55.803 -0.056 0.000 0.850 153 Q CB -0.157 28.551 28.738 -0.051 0.000 0.901 153 Q HN 0.461 nan 8.270 nan 0.000 0.422 154 E N 0.138 120.322 120.200 -0.027 0.000 2.023 154 E HA -0.201 4.155 4.350 0.010 0.000 0.196 154 E C 2.045 178.636 176.600 -0.015 0.000 1.003 154 E CA 1.396 57.794 56.400 -0.004 0.000 0.809 154 E CB 0.074 29.787 29.700 0.021 0.000 0.755 154 E HN 0.142 nan 8.360 nan 0.000 0.449 155 V N 1.440 121.315 119.914 -0.066 0.000 2.282 155 V HA -0.297 3.829 4.120 0.010 0.000 0.249 155 V C 2.160 178.176 176.094 -0.130 0.000 1.057 155 V CA 2.281 64.473 62.300 -0.180 0.000 1.032 155 V CB -0.538 31.057 31.823 -0.379 0.000 0.645 155 V HN 0.333 nan 8.190 nan 0.000 0.447 156 E N 0.091 120.235 120.200 -0.092 0.000 2.023 156 E HA -0.242 4.114 4.350 0.010 0.000 0.196 156 E C 2.365 178.957 176.600 -0.013 0.000 1.003 156 E CA 1.383 57.753 56.400 -0.050 0.000 0.809 156 E CB -0.438 29.235 29.700 -0.044 0.000 0.755 156 E HN 0.591 nan 8.360 nan 0.000 0.449 157 A N 1.484 124.299 122.820 -0.007 0.000 1.903 157 A HA -0.319 4.007 4.320 0.010 0.000 0.219 157 A C 2.066 179.669 177.584 0.032 0.000 1.191 157 A CA 1.998 54.041 52.037 0.011 0.000 0.638 157 A CB -0.630 18.376 19.000 0.010 0.000 0.823 157 A HN 0.292 nan 8.150 nan 0.000 0.451 158 E N -0.606 119.622 120.200 0.048 0.000 2.153 158 E HA -0.107 4.249 4.350 0.010 0.000 0.194 158 E C 1.769 178.432 176.600 0.104 0.000 0.988 158 E CA 1.207 57.663 56.400 0.092 0.000 0.811 158 E CB -0.050 29.739 29.700 0.147 0.000 0.746 158 E HN 0.393 nan 8.360 nan 0.000 0.466 159 V N 0.569 120.536 119.914 0.087 0.000 2.591 159 V HA -0.114 4.012 4.120 0.010 0.000 0.249 159 V C 2.227 178.356 176.094 0.059 0.000 1.053 159 V CA 1.390 63.746 62.300 0.093 0.000 1.068 159 V CB -0.168 31.706 31.823 0.084 0.000 0.689 159 V HN 0.345 nan 8.190 nan 0.000 0.462 160 A N 0.372 123.217 122.820 0.041 0.000 2.015 160 A HA -0.142 4.184 4.320 0.010 0.000 0.219 160 A C 2.478 180.081 177.584 0.033 0.000 1.163 160 A CA 2.076 54.131 52.037 0.030 0.000 0.646 160 A CB -0.329 18.683 19.000 0.019 0.000 0.806 160 A HN 0.641 nan 8.150 nan 0.000 0.448 161 S N -1.258 114.466 115.700 0.041 0.000 2.517 161 S HA -0.085 4.390 4.470 0.010 0.000 0.228 161 S C 2.057 176.685 174.600 0.046 0.000 1.060 161 S CA 1.451 59.674 58.200 0.039 0.000 0.937 161 S CB -0.928 62.295 63.200 0.038 0.000 0.840 161 S HN 0.662 nan 8.310 nan 0.000 0.546 162 T N -2.425 112.166 114.554 0.063 0.000 2.939 162 T HA 0.469 4.825 4.350 0.010 0.000 0.254 162 T C 1.790 176.526 174.700 0.061 0.000 1.041 162 T CA 1.363 63.505 62.100 0.069 0.000 1.142 162 T CB -0.468 68.459 68.868 0.099 0.000 0.874 162 T HN 1.416 nan 8.240 nan 0.000 0.452 163 G N -0.083 108.758 108.800 0.068 0.000 2.231 163 G HA2 -0.132 3.834 3.960 0.010 0.000 0.206 163 G HA3 -0.132 3.834 3.960 0.010 0.000 0.206 163 G C 0.293 175.231 174.900 0.064 0.000 0.996 163 G CA 0.567 45.701 45.100 0.056 0.000 0.645 163 G HN 0.912 nan 8.290 nan 0.000 0.498 164 T N -1.174 113.428 114.554 0.081 0.000 2.538 164 T HA 0.792 5.148 4.350 0.010 0.000 0.237 164 T C -1.058 173.760 174.700 0.195 0.000 0.818 164 T CA 0.743 62.875 62.100 0.053 0.000 1.193 164 T CB 1.239 70.058 68.868 -0.082 0.000 1.497 164 T HN 1.692 nan 8.240 nan 0.000 0.503 165 Y N -0.963 119.292 120.300 -0.075 0.000 2.889 165 Y HA 0.669 5.224 4.550 0.009 0.000 0.379 165 Y C -1.976 173.821 175.900 -0.172 0.000 1.179 165 Y CA -1.267 56.844 58.100 0.017 0.000 1.178 165 Y CB 0.257 38.745 38.460 0.046 0.000 1.460 165 Y HN 0.779 nan 8.280 nan 0.000 0.472 166 H N 1.067 120.253 119.070 0.194 0.000 2.731 166 H HA 0.760 5.321 4.556 0.009 0.000 0.368 166 H C -1.023 174.432 175.328 0.211 0.000 1.168 166 H CA -0.937 55.154 56.048 0.073 0.000 1.181 166 H CB 1.979 31.779 29.762 0.064 0.000 1.743 166 H HN 0.757 nan 8.280 nan 0.000 0.547 167 L N 1.955 123.314 121.223 0.228 0.000 2.307 167 L HA 0.490 4.835 4.340 0.010 0.000 0.282 167 L C 0.505 177.464 176.870 0.148 0.000 1.051 167 L CA -0.750 54.220 54.840 0.217 0.000 0.804 167 L CB 1.101 43.255 42.059 0.157 0.000 1.197 167 L HN 0.407 nan 8.230 nan 0.000 0.431 168 R N 1.300 121.857 120.500 0.097 0.000 2.738 168 R HA -0.009 4.337 4.340 0.010 0.000 0.268 168 R C 1.204 177.508 176.300 0.007 0.000 1.062 168 R CA -0.259 55.864 56.100 0.038 0.000 1.158 168 R CB 0.744 31.039 30.300 -0.008 0.000 1.046 168 R HN 0.677 nan 8.270 nan 0.000 0.493 169 E N 1.210 121.413 120.200 0.006 0.000 2.048 169 E HA -0.281 4.075 4.350 0.010 0.000 0.202 169 E C 1.551 178.146 176.600 -0.009 0.000 1.021 169 E CA 2.445 58.843 56.400 -0.003 0.000 0.825 169 E CB -0.020 29.680 29.700 0.000 0.000 0.756 169 E HN 0.701 nan 8.360 nan 0.000 0.454 170 S N 0.311 116.005 115.700 -0.010 0.000 2.419 170 S HA -0.199 4.276 4.470 0.010 0.000 0.235 170 S C 1.685 176.291 174.600 0.010 0.000 1.019 170 S CA 1.497 59.720 58.200 0.037 0.000 0.982 170 S CB -0.411 62.847 63.200 0.096 0.000 0.789 170 S HN 0.367 nan 8.310 nan 0.000 0.490 171 E N 0.687 120.766 120.200 -0.201 0.000 2.152 171 E HA 0.004 4.359 4.350 0.010 0.000 0.192 171 E C 1.985 178.730 176.600 0.242 0.000 0.983 171 E CA 0.872 57.179 56.400 -0.156 0.000 0.818 171 E CB -0.276 29.340 29.700 -0.139 0.000 0.758 171 E HN 0.446 nan 8.360 nan 0.000 0.467 172 L N 0.841 122.111 121.223 0.079 0.000 2.027 172 L HA -0.129 4.216 4.340 0.010 0.000 0.206 172 L C 2.232 179.099 176.870 -0.006 0.000 1.074 172 L CA 1.322 56.149 54.840 -0.023 0.000 0.745 172 L CB -0.350 41.644 42.059 -0.108 0.000 0.898 172 L HN -0.086 nan 8.230 nan 0.000 0.433 173 V N -0.201 119.734 119.914 0.035 0.000 2.287 173 V HA -0.331 3.794 4.120 0.010 0.000 0.248 173 V C 2.343 178.519 176.094 0.137 0.000 1.053 173 V CA 2.229 64.556 62.300 0.045 0.000 1.027 173 V CB -1.007 30.848 31.823 0.053 0.000 0.646 173 V HN 0.566 nan 8.190 nan 0.000 0.447 174 F N 2.073 122.110 119.950 0.145 0.000 2.046 174 F HA -0.083 4.449 4.527 0.008 0.000 0.297 174 F C 2.260 178.206 175.800 0.244 0.000 1.123 174 F CA 1.919 60.059 58.000 0.232 0.000 1.199 174 F CB -1.143 38.077 39.000 0.366 0.000 0.972 174 F HN 0.131 nan 8.300 nan 0.000 0.474 175 G N -0.184 108.687 108.800 0.117 0.000 2.469 175 G HA2 -0.284 3.682 3.960 0.010 0.000 0.219 175 G HA3 -0.284 3.682 3.960 0.010 0.000 0.219 175 G C 1.822 176.585 174.900 -0.229 0.000 1.150 175 G CA 1.226 46.292 45.100 -0.056 0.000 0.763 175 G HN 0.717 nan 8.290 nan 0.000 0.561 176 A N 0.936 123.651 122.820 -0.175 0.000 1.865 176 A HA -0.087 4.239 4.320 0.010 0.000 0.217 176 A C 2.313 179.881 177.584 -0.027 0.000 1.191 176 A CA 2.154 54.099 52.037 -0.152 0.000 0.623 176 A CB -0.484 18.457 19.000 -0.097 0.000 0.826 176 A HN 0.387 nan 8.150 nan 0.000 0.444 177 K N -0.945 119.475 120.400 0.033 0.000 2.103 177 K HA -0.173 4.153 4.320 0.010 0.000 0.207 177 K C 2.401 179.058 176.600 0.096 0.000 1.048 177 K CA 1.417 57.826 56.287 0.204 0.000 0.930 177 K CB -0.157 32.498 32.500 0.258 0.000 0.716 177 K HN 0.408 nan 8.250 nan 0.000 0.444 178 Q N 0.282 119.951 119.800 -0.218 0.000 2.020 178 Q HA -0.132 4.214 4.340 0.010 0.000 0.202 178 Q C 2.278 178.161 176.000 -0.194 0.000 0.982 178 Q CA 1.782 57.385 55.803 -0.333 0.000 0.838 178 Q CB -0.530 27.927 28.738 -0.469 0.000 0.899 178 Q HN 0.337 nan 8.270 nan 0.000 0.423 179 A N 0.504 123.203 122.820 -0.202 0.000 1.903 179 A HA -0.227 4.099 4.320 0.010 0.000 0.219 179 A C 1.850 179.483 177.584 0.081 0.000 1.191 179 A CA 1.834 53.716 52.037 -0.258 0.000 0.638 179 A CB -1.151 17.382 19.000 -0.777 0.000 0.823 179 A HN 0.588 nan 8.150 nan 0.000 0.451 180 W N 0.681 122.009 121.300 0.045 0.000 2.379 180 W HA -0.118 4.547 4.660 0.007 0.000 0.307 180 W C 2.377 178.865 176.519 -0.052 0.000 1.200 180 W CA 1.538 58.928 57.345 0.076 0.000 1.297 180 W CB -0.823 28.660 29.460 0.039 0.000 1.140 180 W HN 0.382 nan 8.180 nan 0.000 0.507 181 R N 0.347 120.816 120.500 -0.052 0.000 2.117 181 R HA -0.206 4.140 4.340 0.010 0.000 0.243 181 R C 1.627 177.778 176.300 -0.249 0.000 1.143 181 R CA 1.916 57.761 56.100 -0.424 0.000 0.968 181 R CB -0.530 29.259 30.300 -0.851 0.000 0.863 181 R HN 0.117 nan 8.270 nan 0.000 0.444 182 N N 0.226 118.841 118.700 -0.143 0.000 2.422 182 N HA 0.022 4.768 4.740 0.010 0.000 0.181 182 N C -0.284 175.188 175.510 -0.063 0.000 1.080 182 N CA 0.668 53.652 53.050 -0.110 0.000 0.893 182 N CB 0.314 38.739 38.487 -0.103 0.000 0.973 182 N HN 0.171 nan 8.380 nan 0.000 0.456 183 A N 2.271 125.101 122.820 0.017 0.000 2.513 183 A HA 0.150 4.476 4.320 0.010 0.000 0.274 183 A C -1.262 176.298 177.584 -0.038 0.000 1.115 183 A CA -0.743 51.299 52.037 0.009 0.000 0.792 183 A CB 0.167 19.210 19.000 0.071 0.000 1.053 183 A HN 0.036 nan 8.150 nan 0.000 0.515 184 P HA -0.079 nan 4.420 nan 0.000 0.225 184 P C 1.035 178.273 177.300 -0.103 0.000 1.148 184 P CA 1.066 64.100 63.100 -0.109 0.000 0.779 184 P CB 0.193 31.796 31.700 -0.162 0.000 0.780 185 R N -2.352 118.052 120.500 -0.159 0.000 2.362 185 R HA 0.178 4.524 4.340 0.010 0.000 0.227 185 R C 0.114 176.405 176.300 -0.014 0.000 0.905 185 R CA -0.166 55.849 56.100 -0.142 0.000 1.067 185 R CB -0.168 29.834 30.300 -0.497 0.000 1.078 185 R HN 0.156 nan 8.270 nan 0.000 0.516 186 C N 0.786 120.068 119.300 -0.031 0.000 2.303 186 C HA 0.223 4.689 4.460 0.010 0.000 0.341 186 C C 1.851 176.798 174.990 -0.072 0.000 1.244 186 C CA -0.588 58.435 59.018 0.009 0.000 1.765 186 C CB 0.533 28.335 27.740 0.104 0.000 2.379 186 C HN 0.272 nan 8.230 nan 0.000 0.530 187 V N 5.986 125.819 119.914 -0.136 0.000 3.541 187 V HA 0.236 4.362 4.120 0.010 0.000 0.267 187 V C 1.704 177.810 176.094 0.021 0.000 1.213 187 V CA 1.887 64.006 62.300 -0.302 0.000 1.149 187 V CB -0.071 31.582 31.823 -0.283 0.000 0.822 187 V HN 1.068 nan 8.190 nan 0.000 0.462 188 G N -0.588 108.257 108.800 0.075 0.000 3.523 188 G HA2 0.088 4.053 3.960 0.010 0.000 0.270 188 G HA3 0.088 4.053 3.960 0.010 0.000 0.270 188 G C 1.140 176.066 174.900 0.043 0.000 1.134 188 G CA -0.376 44.782 45.100 0.097 0.000 0.825 188 G HN 0.414 nan 8.290 nan 0.000 0.534 189 R N -0.161 120.293 120.500 -0.076 0.000 2.341 189 R HA 0.085 4.431 4.340 0.010 0.000 0.213 189 R C 1.997 177.877 176.300 -0.700 0.000 1.082 189 R CA 0.204 55.972 56.100 -0.553 0.000 1.017 189 R CB -0.148 29.780 30.300 -0.619 0.000 0.860 189 R HN 0.471 nan 8.270 nan 0.000 0.473 190 I N 1.039 121.384 120.570 -0.374 0.000 2.700 190 I HA -0.242 3.934 4.170 0.010 0.000 0.261 190 I C 1.020 177.053 176.117 -0.140 0.000 1.219 190 I CA 1.314 62.553 61.300 -0.101 0.000 1.463 190 I CB 0.158 38.196 38.000 0.064 0.000 1.092 190 I HN 0.212 nan 8.210 nan 0.000 0.452 191 Q N 0.406 120.043 119.800 -0.270 0.000 2.220 191 Q HA -0.046 4.300 4.340 0.010 0.000 0.205 191 Q C 1.424 176.964 176.000 -0.765 0.000 0.865 191 Q CA 0.001 55.620 55.803 -0.307 0.000 0.960 191 Q CB -0.104 28.607 28.738 -0.044 0.000 1.097 191 Q HN 0.777 nan 8.270 nan 0.000 0.493 192 W N 0.019 120.614 121.300 -1.174 0.000 2.364 192 W HA -0.066 4.602 4.660 0.013 0.000 0.281 192 W C 0.977 177.182 176.519 -0.523 0.000 1.219 192 W CA 1.143 57.645 57.345 -1.406 0.000 1.220 192 W CB -0.966 27.865 29.460 -1.049 0.000 1.127 192 W HN 0.060 nan 8.180 nan 0.000 0.556 193 G N 1.061 109.040 108.800 -1.367 0.000 2.712 193 G HA2 -0.125 3.841 3.960 0.010 0.000 0.212 193 G HA3 -0.125 3.841 3.960 0.010 0.000 0.212 193 G C 0.698 175.324 174.900 -0.455 0.000 1.142 193 G CA -0.164 44.251 45.100 -1.141 0.000 0.789 193 G HN 0.212 nan 8.290 nan 0.000 0.535 194 K N 0.343 120.575 120.400 -0.280 0.000 2.419 194 K HA 0.527 4.853 4.320 0.010 0.000 0.244 194 K C -1.698 174.975 176.600 0.123 0.000 1.045 194 K CA -0.668 55.583 56.287 -0.060 0.000 1.004 194 K CB 0.436 32.926 32.500 -0.016 0.000 1.376 194 K HN 0.075 nan 8.250 nan 0.000 0.460 195 L N 3.057 124.342 121.223 0.104 0.000 2.476 195 L HA 0.319 4.665 4.340 0.010 0.000 0.269 195 L C -1.368 175.484 176.870 -0.029 0.000 0.965 195 L CA -0.404 54.520 54.840 0.140 0.000 0.845 195 L CB 1.942 44.171 42.059 0.283 0.000 1.259 195 L HN 0.433 nan 8.230 nan 0.000 0.403 196 Q N 3.449 123.179 119.800 -0.116 0.000 2.323 196 Q HA 0.449 4.795 4.340 0.010 0.000 0.257 196 Q C -1.504 174.148 176.000 -0.580 0.000 1.022 196 Q CA 0.013 55.579 55.803 -0.394 0.000 0.919 196 Q CB 1.031 29.461 28.738 -0.513 0.000 1.220 196 Q HN 0.520 nan 8.270 nan 0.000 0.427 197 V N 6.711 126.324 119.914 -0.502 0.000 2.304 197 V HA 0.313 4.439 4.120 0.010 0.000 0.269 197 V C -0.649 175.171 176.094 -0.456 0.000 1.036 197 V CA -0.517 61.545 62.300 -0.395 0.000 0.840 197 V CB -0.134 31.564 31.823 -0.208 0.000 1.036 197 V HN 0.617 nan 8.190 nan 0.000 0.466 198 F N 3.025 122.827 119.950 -0.247 0.000 2.404 198 F HA 0.316 4.846 4.527 0.005 0.000 0.359 198 F C 0.799 176.404 175.800 -0.325 0.000 1.134 198 F CA -0.731 57.108 58.000 -0.269 0.000 1.160 198 F CB 0.378 39.212 39.000 -0.278 0.000 1.186 198 F HN 0.413 nan 8.300 nan 0.000 0.526 199 D N 2.677 123.009 120.400 -0.113 0.000 2.382 199 D HA 0.409 5.055 4.640 0.010 0.000 0.245 199 D C 0.047 176.130 176.300 -0.361 0.000 1.120 199 D CA 0.240 54.115 54.000 -0.208 0.000 0.890 199 D CB 1.402 42.130 40.800 -0.119 0.000 1.201 199 D HN 0.653 nan 8.370 nan 0.000 0.433 200 A N 4.132 126.620 122.820 -0.554 0.000 2.602 200 A HA 0.138 4.464 4.320 0.010 0.000 0.238 200 A C 1.232 178.505 177.584 -0.519 0.000 0.863 200 A CA -0.384 51.089 52.037 -0.939 0.000 1.148 200 A CB 0.116 17.923 19.000 -1.988 0.000 1.227 200 A HN 0.570 nan 8.150 nan 0.000 0.460 201 R N 0.632 120.981 120.500 -0.251 0.000 2.339 201 R HA -0.058 4.288 4.340 0.010 0.000 0.199 201 R C 1.011 177.286 176.300 -0.042 0.000 1.018 201 R CA 1.219 57.259 56.100 -0.100 0.000 1.036 201 R CB 0.072 30.382 30.300 0.017 0.000 0.899 201 R HN 0.699 nan 8.270 nan 0.000 0.473 202 D N -0.447 119.944 120.400 -0.016 0.000 2.271 202 D HA -0.089 4.557 4.640 0.010 0.000 0.206 202 D C 0.689 177.058 176.300 0.115 0.000 0.967 202 D CA -0.176 53.863 54.000 0.064 0.000 0.867 202 D CB -0.704 40.151 40.800 0.092 0.000 0.960 202 D HN -0.005 nan 8.370 nan 0.000 0.509 203 C N 1.835 121.225 119.300 0.149 0.000 2.348 203 C HA 0.178 4.644 4.460 0.010 0.000 0.391 203 C C 1.545 176.680 174.990 0.241 0.000 1.463 203 C CA 1.042 60.220 59.018 0.267 0.000 1.550 203 C CB -0.791 27.158 27.740 0.349 0.000 2.539 203 C HN 0.516 nan 8.230 nan 0.000 0.588 204 S N 2.335 118.226 115.700 0.319 0.000 2.960 204 S HA 0.360 4.836 4.470 0.010 0.000 0.256 204 S C -0.198 174.595 174.600 0.322 0.000 1.017 204 S CA 0.272 58.692 58.200 0.366 0.000 1.144 204 S CB -0.239 63.099 63.200 0.230 0.000 1.109 204 S HN 1.577 nan 8.310 nan 0.000 0.638 205 S N -0.238 115.662 115.700 0.333 0.000 2.565 205 S HA 0.791 5.267 4.470 0.010 0.000 0.269 205 S C 0.736 175.464 174.600 0.213 0.000 1.153 205 S CA -0.251 58.082 58.200 0.222 0.000 0.835 205 S CB 0.992 64.290 63.200 0.163 0.000 1.122 205 S HN 0.630 nan 8.310 nan 0.000 0.462 206 A N 0.783 123.697 122.820 0.157 0.000 2.015 206 A HA -0.026 4.300 4.320 0.010 0.000 0.219 206 A C 2.057 179.682 177.584 0.068 0.000 1.163 206 A CA 2.036 54.157 52.037 0.140 0.000 0.646 206 A CB -0.970 18.153 19.000 0.205 0.000 0.806 206 A HN 0.900 nan 8.150 nan 0.000 0.448 207 Q N 0.408 120.325 119.800 0.195 0.000 2.083 207 Q HA -0.131 4.215 4.340 0.010 0.000 0.198 207 Q C 1.849 177.868 176.000 0.030 0.000 0.969 207 Q CA 2.189 58.086 55.803 0.157 0.000 0.838 207 Q CB -0.417 28.480 28.738 0.265 0.000 0.900 207 Q HN 0.716 nan 8.270 nan 0.000 0.436 208 E N -0.574 119.682 120.200 0.094 0.000 2.110 208 E HA -0.171 4.185 4.350 0.010 0.000 0.193 208 E C 1.916 178.612 176.600 0.160 0.000 0.988 208 E CA 1.194 57.650 56.400 0.093 0.000 0.804 208 E CB -0.123 29.673 29.700 0.160 0.000 0.745 208 E HN 0.456 nan 8.360 nan 0.000 0.458 209 M N -0.271 119.438 119.600 0.183 0.000 2.149 209 M HA -0.146 4.340 4.480 0.010 0.000 0.261 209 M C 2.008 178.366 176.300 0.098 0.000 1.064 209 M CA 1.371 56.785 55.300 0.189 0.000 1.102 209 M CB -0.219 32.306 32.600 -0.124 0.000 1.369 209 M HN 0.236 nan 8.290 nan 0.000 0.408 210 F N 0.477 120.228 119.950 -0.332 0.000 2.234 210 F HA -0.191 4.343 4.527 0.012 0.000 0.299 210 F C 2.109 177.792 175.800 -0.196 0.000 1.087 210 F CA 1.472 59.204 58.000 -0.447 0.000 1.340 210 F CB -0.024 38.343 39.000 -1.056 0.000 1.031 210 F HN 0.057 nan 8.300 nan 0.000 0.500 211 T N -0.720 113.689 114.554 -0.241 0.000 2.770 211 T HA -0.198 4.158 4.350 0.010 0.000 0.263 211 T C 1.577 176.111 174.700 -0.276 0.000 1.039 211 T CA 1.626 63.533 62.100 -0.321 0.000 1.142 211 T CB -0.829 67.877 68.868 -0.269 0.000 0.868 211 T HN 0.349 nan 8.240 nan 0.000 0.435 212 Y N 1.177 121.418 120.300 -0.099 0.000 2.128 212 Y HA -0.076 4.478 4.550 0.008 0.000 0.284 212 Y C 2.395 178.235 175.900 -0.099 0.000 1.154 212 Y CA 0.828 58.869 58.100 -0.099 0.000 1.149 212 Y CB -0.419 38.035 38.460 -0.009 0.000 0.976 212 Y HN 0.117 nan 8.280 nan 0.000 0.505 213 I N -1.273 119.379 120.570 0.137 0.000 2.264 213 I HA -0.385 3.791 4.170 0.010 0.000 0.248 213 I C 2.270 178.317 176.117 -0.116 0.000 1.111 213 I CA 1.034 62.347 61.300 0.021 0.000 1.382 213 I CB -0.537 37.457 38.000 -0.011 0.000 1.060 213 I HN 0.365 nan 8.210 nan 0.000 0.418 214 C N 0.565 119.687 119.300 -0.296 0.000 2.440 214 C HA -0.098 4.368 4.460 0.010 0.000 0.278 214 C C 2.610 177.502 174.990 -0.164 0.000 1.295 214 C CA 0.651 59.481 59.018 -0.314 0.000 1.738 214 C CB -1.351 26.071 27.740 -0.530 0.000 1.987 214 C HN 0.544 nan 8.230 nan 0.000 0.492 215 N N 0.036 118.634 118.700 -0.170 0.000 2.188 215 N HA -0.133 4.613 4.740 0.010 0.000 0.184 215 N C 1.438 176.872 175.510 -0.126 0.000 1.018 215 N CA 1.334 54.280 53.050 -0.173 0.000 0.858 215 N CB -0.776 37.548 38.487 -0.271 0.000 0.989 215 N HN 0.751 nan 8.380 nan 0.000 0.426 216 H N 0.736 119.679 119.070 -0.212 0.000 2.290 216 H HA 0.023 4.586 4.556 0.012 0.000 0.298 216 H C 2.082 177.450 175.328 0.067 0.000 1.087 216 H CA 1.676 57.678 56.048 -0.076 0.000 1.291 216 H CB -0.064 29.696 29.762 -0.003 0.000 1.369 216 H HN 0.083 nan 8.280 nan 0.000 0.492 217 I N 0.690 121.412 120.570 0.253 0.000 2.335 217 I HA -0.259 3.917 4.170 0.010 0.000 0.251 217 I C 2.430 178.624 176.117 0.128 0.000 1.129 217 I CA 1.158 62.556 61.300 0.164 0.000 1.402 217 I CB -0.278 37.735 38.000 0.023 0.000 1.069 217 I HN 0.333 nan 8.210 nan 0.000 0.424 218 K N 0.218 120.668 120.400 0.083 0.000 2.002 218 K HA -0.227 4.099 4.320 0.010 0.000 0.209 218 K C 2.269 178.934 176.600 0.107 0.000 1.048 218 K CA 1.807 58.130 56.287 0.061 0.000 0.930 218 K CB -0.431 32.080 32.500 0.019 0.000 0.714 218 K HN 0.269 nan 8.250 nan 0.000 0.438 219 Y N 1.199 121.520 120.300 0.036 0.000 2.220 219 Y HA -0.146 4.407 4.550 0.004 0.000 0.291 219 Y C 2.129 178.107 175.900 0.129 0.000 1.129 219 Y CA 1.310 59.467 58.100 0.095 0.000 1.161 219 Y CB -0.201 38.363 38.460 0.173 0.000 0.997 219 Y HN 0.054 nan 8.280 nan 0.000 0.522 220 A N -0.712 122.283 122.820 0.291 0.000 1.898 220 A HA -0.123 4.203 4.320 0.010 0.000 0.216 220 A C 2.186 179.844 177.584 0.124 0.000 1.181 220 A CA 2.094 54.268 52.037 0.227 0.000 0.620 220 A CB -1.232 17.990 19.000 0.369 0.000 0.819 220 A HN 0.484 nan 8.150 nan 0.000 0.442 221 T N -0.273 114.351 114.554 0.116 0.000 2.737 221 T HA -0.114 4.242 4.350 0.010 0.000 0.265 221 T C 1.111 175.825 174.700 0.023 0.000 1.038 221 T CA 1.308 63.458 62.100 0.084 0.000 1.144 221 T CB -0.444 68.467 68.868 0.073 0.000 0.866 221 T HN 0.642 nan 8.240 nan 0.000 0.434 222 N N 0.958 119.645 118.700 -0.021 0.000 2.716 222 N HA -0.248 4.498 4.740 0.010 0.000 0.250 222 N C -0.420 175.066 175.510 -0.040 0.000 1.033 222 N CA 0.490 53.500 53.050 -0.068 0.000 0.727 222 N CB -1.315 37.089 38.487 -0.139 0.000 0.950 222 N HN 0.455 nan 8.380 nan 0.000 0.541 223 R N -2.347 118.142 120.500 -0.018 0.000 3.416 223 R HA -0.219 4.127 4.340 0.010 0.000 0.263 223 R C 1.335 177.620 176.300 -0.025 0.000 1.053 223 R CA 1.076 57.165 56.100 -0.019 0.000 0.705 223 R CB -1.897 28.389 30.300 -0.023 0.000 1.124 223 R HN 0.941 nan 8.270 nan 0.000 0.444 224 G N -0.167 108.624 108.800 -0.015 0.000 2.397 224 G HA2 -0.342 3.624 3.960 0.010 0.000 0.211 224 G HA3 -0.342 3.624 3.960 0.010 0.000 0.211 224 G C 0.014 174.901 174.900 -0.022 0.000 1.077 224 G CA 0.065 45.153 45.100 -0.020 0.000 0.649 224 G HN 0.426 nan 8.290 nan 0.000 0.511 225 N N 1.820 120.494 118.700 -0.042 0.000 2.807 225 N HA 0.491 5.237 4.740 0.010 0.000 0.259 225 N C 0.280 175.763 175.510 -0.044 0.000 1.149 225 N CA -0.390 52.619 53.050 -0.069 0.000 1.042 225 N CB -0.186 38.255 38.487 -0.077 0.000 1.367 225 N HN 0.278 nan 8.380 nan 0.000 0.516 226 L N 2.212 123.437 121.223 0.003 0.000 2.514 226 L HA 0.161 4.506 4.340 0.010 0.000 0.280 226 L C 0.819 177.799 176.870 0.184 0.000 1.223 226 L CA 0.869 55.781 54.840 0.121 0.000 0.864 226 L CB 0.229 42.447 42.059 0.264 0.000 1.118 226 L HN 0.403 nan 8.230 nan 0.000 0.494 227 R N 1.381 121.992 120.500 0.184 0.000 2.513 227 R HA 0.442 4.788 4.340 0.010 0.000 0.301 227 R C -0.612 175.842 176.300 0.256 0.000 0.968 227 R CA -0.668 55.557 56.100 0.208 0.000 0.872 227 R CB 1.625 31.910 30.300 -0.025 0.000 1.177 227 R HN 0.585 nan 8.270 nan 0.000 0.444 228 S N 1.513 117.370 115.700 0.261 0.000 2.549 228 S HA 0.427 4.903 4.470 0.010 0.000 0.286 228 S C -0.111 174.528 174.600 0.065 0.000 1.314 228 S CA -0.117 58.134 58.200 0.086 0.000 1.062 228 S CB 1.119 64.323 63.200 0.007 0.000 0.865 228 S HN 0.728 nan 8.310 nan 0.000 0.498 229 A N 2.373 125.187 122.820 -0.011 0.000 2.601 229 A HA 0.822 5.148 4.320 0.010 0.000 0.291 229 A C -1.371 176.190 177.584 -0.038 0.000 1.075 229 A CA -0.683 51.292 52.037 -0.105 0.000 0.671 229 A CB 1.128 20.033 19.000 -0.159 0.000 1.277 229 A HN 0.800 nan 8.150 nan 0.000 0.417 230 I N 0.133 120.671 120.570 -0.054 0.000 2.752 230 I HA 0.636 4.812 4.170 0.010 0.000 0.295 230 I C -1.333 174.845 176.117 0.103 0.000 1.219 230 I CA -0.163 61.220 61.300 0.139 0.000 1.030 230 I CB 2.441 40.504 38.000 0.105 0.000 1.259 230 I HN 0.608 nan 8.210 nan 0.000 0.423 231 T N 6.225 120.889 114.554 0.184 0.000 2.791 231 T HA 0.439 4.795 4.350 0.010 0.000 0.288 231 T C -0.697 173.857 174.700 -0.243 0.000 0.999 231 T CA -0.352 61.723 62.100 -0.042 0.000 0.952 231 T CB 1.386 70.255 68.868 0.002 0.000 0.938 231 T HN 0.264 nan 8.240 nan 0.000 0.444 232 V N 5.026 124.710 119.914 -0.383 0.000 2.383 232 V HA 0.509 4.634 4.120 0.010 0.000 0.275 232 V C -0.376 175.441 176.094 -0.461 0.000 1.036 232 V CA -0.719 61.378 62.300 -0.338 0.000 0.889 232 V CB 0.099 31.675 31.823 -0.413 0.000 0.985 232 V HN 0.715 nan 8.190 nan 0.000 0.459 233 F N 4.605 124.498 119.950 -0.096 0.000 2.410 233 F HA 0.544 5.078 4.527 0.012 0.000 0.324 233 F C -1.915 173.807 175.800 -0.130 0.000 1.093 233 F CA -2.618 55.245 58.000 -0.229 0.000 1.028 233 F CB 0.551 39.386 39.000 -0.275 0.000 1.309 233 F HN 0.291 nan 8.300 nan 0.000 0.499 234 P HA -0.055 nan 4.420 nan 0.000 0.261 234 P C -1.047 176.238 177.300 -0.024 0.000 1.173 234 P CA 0.108 63.129 63.100 -0.133 0.000 0.760 234 P CB 0.158 31.680 31.700 -0.296 0.000 0.783 235 Q N 3.584 123.235 119.800 -0.248 0.000 2.454 235 Q HA 0.167 4.512 4.340 0.010 0.000 0.247 235 Q C -0.296 175.562 176.000 -0.238 0.000 1.028 235 Q CA -0.473 54.980 55.803 -0.583 0.000 0.910 235 Q CB 0.563 28.664 28.738 -1.063 0.000 1.276 235 Q HN 0.326 nan 8.270 nan 0.000 0.489 236 R N 0.418 120.780 120.500 -0.229 0.000 2.484 236 R HA 0.264 4.610 4.340 0.010 0.000 0.293 236 R C -0.554 175.682 176.300 -0.107 0.000 1.023 236 R CA 0.356 56.395 56.100 -0.103 0.000 1.037 236 R CB 0.296 30.537 30.300 -0.099 0.000 0.951 236 R HN 0.651 nan 8.270 nan 0.000 0.418 237 A N 5.398 128.197 122.820 -0.035 0.000 2.340 237 A HA 0.548 4.874 4.320 0.010 0.000 0.331 237 A C -2.325 175.251 177.584 -0.014 0.000 1.140 237 A CA -2.098 49.925 52.037 -0.024 0.000 0.801 237 A CB 0.953 19.968 19.000 0.025 0.000 1.234 237 A HN 0.419 nan 8.150 nan 0.000 0.469 238 P HA 0.269 nan 4.420 nan 0.000 0.264 238 P C 1.028 178.331 177.300 0.005 0.000 1.193 238 P CA 1.802 64.900 63.100 -0.004 0.000 0.763 238 P CB 0.667 32.368 31.700 0.002 0.000 0.810 239 G N 2.043 110.845 108.800 0.003 0.000 2.186 239 G HA2 -0.284 3.681 3.960 0.010 0.000 0.266 239 G HA3 -0.284 3.681 3.960 0.010 0.000 0.266 239 G C 0.355 175.259 174.900 0.007 0.000 0.982 239 G CA -0.034 45.070 45.100 0.006 0.000 0.670 239 G HN 0.710 nan 8.290 nan 0.000 0.533 240 R N 0.750 121.254 120.500 0.006 0.000 2.534 240 R HA 0.565 4.911 4.340 0.010 0.000 0.301 240 R C 0.867 177.164 176.300 -0.006 0.000 0.961 240 R CA 0.122 56.225 56.100 0.005 0.000 0.871 240 R CB 0.886 31.199 30.300 0.021 0.000 1.170 240 R HN 0.427 nan 8.270 nan 0.000 0.446 241 G N 2.528 111.314 108.800 -0.024 0.000 2.720 241 G HA2 -0.055 3.911 3.960 0.010 0.000 0.237 241 G HA3 -0.055 3.911 3.960 0.010 0.000 0.237 241 G C -0.409 174.462 174.900 -0.047 0.000 1.239 241 G CA -0.225 44.853 45.100 -0.036 0.000 0.847 241 G HN 0.623 nan 8.290 nan 0.000 0.593 242 D N -0.838 119.547 120.400 -0.025 0.000 2.388 242 D HA 0.389 5.035 4.640 0.010 0.000 0.254 242 D C -0.411 175.877 176.300 -0.021 0.000 1.111 242 D CA -0.066 53.951 54.000 0.028 0.000 0.993 242 D CB 0.868 41.697 40.800 0.049 0.000 1.118 242 D HN 0.127 nan 8.370 nan 0.000 0.502 243 F N 1.032 121.003 119.950 0.035 0.000 2.391 243 F HA 0.334 4.868 4.527 0.011 0.000 0.359 243 F C 0.796 176.607 175.800 0.020 0.000 1.122 243 F CA -0.345 57.664 58.000 0.015 0.000 1.120 243 F CB 0.712 39.717 39.000 0.009 0.000 1.142 243 F HN -0.239 nan 8.300 nan 0.000 0.483 244 R N 4.132 124.733 120.500 0.169 0.000 2.750 244 R HA 0.572 4.918 4.340 0.010 0.000 0.281 244 R C -1.031 175.405 176.300 0.227 0.000 0.972 244 R CA -0.879 55.334 56.100 0.189 0.000 0.912 244 R CB 2.267 32.698 30.300 0.219 0.000 1.187 244 R HN 0.625 nan 8.270 nan 0.000 0.464 245 I N 2.388 123.071 120.570 0.188 0.000 2.371 245 I HA 0.146 4.322 4.170 0.010 0.000 0.282 245 I C 0.454 176.749 176.117 0.297 0.000 1.031 245 I CA -0.528 60.883 61.300 0.184 0.000 1.180 245 I CB 1.075 39.112 38.000 0.062 0.000 1.336 245 I HN 0.504 nan 8.210 nan 0.000 0.467 246 W N 3.405 124.732 121.300 0.044 0.000 2.338 246 W HA -0.162 4.504 4.660 0.009 0.000 0.304 246 W C 1.115 177.731 176.519 0.161 0.000 1.212 246 W CA 0.369 57.806 57.345 0.154 0.000 1.264 246 W CB -1.013 28.575 29.460 0.213 0.000 1.142 246 W HN 0.416 nan 8.180 nan 0.000 0.512 247 N N 0.264 119.137 118.700 0.288 0.000 2.374 247 N HA -0.022 4.724 4.740 0.010 0.000 0.241 247 N C 1.359 176.928 175.510 0.099 0.000 1.262 247 N CA 1.015 54.157 53.050 0.153 0.000 0.880 247 N CB 0.389 38.901 38.487 0.042 0.000 1.105 247 N HN -0.034 nan 8.380 nan 0.000 0.438 248 S N 0.490 116.239 115.700 0.081 0.000 2.395 248 S HA -0.044 4.432 4.470 0.010 0.000 0.225 248 S C 0.362 174.954 174.600 -0.013 0.000 1.027 248 S CA 0.673 58.904 58.200 0.051 0.000 0.965 248 S CB 0.056 63.307 63.200 0.086 0.000 0.812 248 S HN 0.654 nan 8.310 nan 0.000 0.482 249 Q N -0.719 119.059 119.800 -0.037 0.000 2.484 249 Q HA 0.525 4.871 4.340 0.010 0.000 0.285 249 Q C 0.372 176.285 176.000 -0.145 0.000 1.097 249 Q CA -0.584 55.155 55.803 -0.107 0.000 0.802 249 Q CB 1.953 30.650 28.738 -0.067 0.000 1.444 249 Q HN 0.129 nan 8.270 nan 0.000 0.429 250 L N 0.079 121.187 121.223 -0.192 0.000 2.093 250 L HA 0.009 4.354 4.340 0.010 0.000 0.208 250 L C 0.398 177.120 176.870 -0.247 0.000 1.085 250 L CA 0.910 55.635 54.840 -0.191 0.000 0.755 250 L CB 0.205 42.134 42.059 -0.216 0.000 0.904 250 L HN 0.279 nan 8.230 nan 0.000 0.435 251 V N 1.313 120.998 119.914 -0.382 0.000 2.350 251 V HA 0.421 4.547 4.120 0.010 0.000 0.285 251 V C -0.216 175.333 176.094 -0.907 0.000 1.014 251 V CA -0.613 61.288 62.300 -0.665 0.000 0.831 251 V CB 1.428 32.736 31.823 -0.859 0.000 1.000 251 V HN 0.193 nan 8.190 nan 0.000 0.433 252 R N 2.917 123.037 120.500 -0.634 0.000 2.725 252 R HA 0.523 4.869 4.340 0.010 0.000 0.277 252 R C -1.727 174.387 176.300 -0.309 0.000 0.987 252 R CA -0.834 55.017 56.100 -0.416 0.000 0.901 252 R CB 2.576 32.786 30.300 -0.149 0.000 1.207 252 R HN 0.514 nan 8.270 nan 0.000 0.463 253 Y N 0.311 120.600 120.300 -0.019 0.000 2.310 253 Y HA 0.408 4.964 4.550 0.010 0.000 0.326 253 Y C 0.858 176.751 175.900 -0.010 0.000 1.151 253 Y CA -0.706 57.413 58.100 0.031 0.000 1.195 253 Y CB 1.265 39.834 38.460 0.181 0.000 1.210 253 Y HN 0.670 nan 8.280 nan 0.000 0.483 254 A N 1.650 124.529 122.820 0.098 0.000 2.445 254 A HA 0.547 4.873 4.320 0.010 0.000 0.242 254 A C 0.580 177.955 177.584 -0.348 0.000 1.075 254 A CA 0.216 52.149 52.037 -0.174 0.000 0.777 254 A CB -0.214 18.619 19.000 -0.278 0.000 1.013 254 A HN 0.934 nan 8.150 nan 0.000 0.493 255 G N 0.997 109.607 108.800 -0.317 0.000 2.588 255 G HA2 0.526 4.492 3.960 0.010 0.000 0.312 255 G HA3 0.526 4.492 3.960 0.010 0.000 0.312 255 G C -0.854 173.923 174.900 -0.205 0.000 1.257 255 G CA -0.288 44.669 45.100 -0.240 0.000 0.994 255 G HN 0.589 nan 8.290 nan 0.000 0.498 256 Y N 1.749 122.080 120.300 0.052 0.000 2.383 256 Y HA 0.358 4.914 4.550 0.010 0.000 0.344 256 Y C 1.017 176.926 175.900 0.016 0.000 0.986 256 Y CA -1.078 57.046 58.100 0.041 0.000 1.175 256 Y CB 1.228 39.705 38.460 0.027 0.000 1.152 256 Y HN 0.418 nan 8.280 nan 0.000 0.511 257 R N 3.499 124.099 120.500 0.167 0.000 2.421 257 R HA 0.066 4.411 4.340 0.010 0.000 0.305 257 R C -0.320 176.025 176.300 0.076 0.000 1.039 257 R CA 0.006 56.160 56.100 0.091 0.000 1.003 257 R CB 0.150 30.492 30.300 0.070 0.000 0.959 257 R HN 0.567 nan 8.270 nan 0.000 0.427 258 Q N 2.172 122.004 119.800 0.053 0.000 2.185 258 Q HA 0.114 4.460 4.340 0.010 0.000 0.225 258 Q C 0.473 176.483 176.000 0.017 0.000 0.983 258 Q CA -0.556 55.266 55.803 0.032 0.000 0.950 258 Q CB 0.746 29.499 28.738 0.025 0.000 1.176 258 Q HN 0.580 nan 8.270 nan 0.000 0.510 259 Q N 0.861 120.664 119.800 0.006 0.000 2.033 259 Q HA -0.115 4.231 4.340 0.010 0.000 0.196 259 Q C 1.083 177.085 176.000 0.002 0.000 0.970 259 Q CA 1.775 57.579 55.803 0.001 0.000 0.828 259 Q CB -0.354 28.380 28.738 -0.006 0.000 0.895 259 Q HN 0.772 nan 8.270 nan 0.000 0.440 260 D N -1.294 119.107 120.400 0.002 0.000 2.407 260 D HA 0.015 4.661 4.640 0.010 0.000 0.234 260 D C 1.066 177.369 176.300 0.006 0.000 1.029 260 D CA 1.012 55.013 54.000 0.002 0.000 0.937 260 D CB -0.267 40.533 40.800 0.000 0.000 0.882 260 D HN 0.386 nan 8.370 nan 0.000 0.531 261 G N -0.353 108.452 108.800 0.009 0.000 2.299 261 G HA2 -0.360 3.606 3.960 0.010 0.000 0.237 261 G HA3 -0.360 3.606 3.960 0.010 0.000 0.237 261 G C 0.777 175.686 174.900 0.014 0.000 1.027 261 G CA 0.460 45.568 45.100 0.012 0.000 0.619 261 G HN 0.839 nan 8.290 nan 0.000 0.513 262 S N -0.735 114.973 115.700 0.013 0.000 2.618 262 S HA 0.642 5.118 4.470 0.010 0.000 0.254 262 S C 0.127 174.736 174.600 0.015 0.000 1.284 262 S CA 0.346 58.553 58.200 0.011 0.000 0.975 262 S CB 1.710 64.914 63.200 0.007 0.000 1.022 262 S HN 1.269 nan 8.310 nan 0.000 0.571 263 V N 0.733 120.649 119.914 0.004 0.000 2.668 263 V HA 0.492 4.618 4.120 0.010 0.000 0.304 263 V C -0.246 175.837 176.094 -0.018 0.000 1.071 263 V CA -0.710 61.592 62.300 0.003 0.000 0.894 263 V CB 1.639 33.451 31.823 -0.018 0.000 1.008 263 V HN 0.890 nan 8.190 nan 0.000 0.425 264 R N 2.860 123.378 120.500 0.031 0.000 2.229 264 R HA 0.676 5.022 4.340 0.010 0.000 0.328 264 R C 0.690 176.963 176.300 -0.046 0.000 1.009 264 R CA 0.976 57.092 56.100 0.027 0.000 0.864 264 R CB 0.987 31.368 30.300 0.134 0.000 1.085 264 R HN 1.194 nan 8.270 nan 0.000 0.453 265 G N 3.084 111.792 108.800 -0.153 0.000 2.594 265 G HA2 -0.236 3.730 3.960 0.010 0.000 0.217 265 G HA3 -0.236 3.730 3.960 0.010 0.000 0.217 265 G C -1.335 173.284 174.900 -0.468 0.000 1.163 265 G CA -0.095 44.884 45.100 -0.201 0.000 1.074 265 G HN 0.606 nan 8.290 nan 0.000 0.589 266 D N 1.808 122.066 120.400 -0.236 0.000 2.427 266 D HA 0.585 5.231 4.640 0.010 0.000 0.226 266 D C -1.198 175.034 176.300 -0.114 0.000 1.076 266 D CA -1.930 51.926 54.000 -0.240 0.000 0.849 266 D CB 1.640 42.599 40.800 0.267 0.000 1.052 266 D HN -0.030 nan 8.370 nan 0.000 0.515 267 P HA -0.148 nan 4.420 nan 0.000 0.218 267 P C 0.994 178.310 177.300 0.026 0.000 1.146 267 P CA 1.207 64.280 63.100 -0.045 0.000 0.813 267 P CB 0.327 32.006 31.700 -0.035 0.000 0.778 268 A N -0.003 122.851 122.820 0.057 0.000 1.902 268 A HA -0.179 4.147 4.320 0.010 0.000 0.217 268 A C 1.773 179.418 177.584 0.101 0.000 1.181 268 A CA 1.596 53.696 52.037 0.104 0.000 0.623 268 A CB -1.249 17.834 19.000 0.139 0.000 0.818 268 A HN 0.167 nan 8.150 nan 0.000 0.443 269 N N 0.279 119.034 118.700 0.091 0.000 2.413 269 N HA 0.084 4.829 4.740 0.010 0.000 0.207 269 N C 1.182 176.715 175.510 0.038 0.000 1.206 269 N CA 0.278 53.372 53.050 0.074 0.000 0.832 269 N CB 0.303 38.834 38.487 0.073 0.000 1.037 269 N HN 0.263 nan 8.380 nan 0.000 0.467 270 V N 1.018 120.954 119.914 0.037 0.000 2.261 270 V HA -0.249 3.877 4.120 0.010 0.000 0.246 270 V C 2.478 178.591 176.094 0.032 0.000 1.047 270 V CA 1.792 64.109 62.300 0.029 0.000 1.015 270 V CB -0.319 31.524 31.823 0.033 0.000 0.642 270 V HN 0.373 nan 8.190 nan 0.000 0.446 271 E N -0.281 119.940 120.200 0.035 0.000 2.058 271 E HA -0.287 4.069 4.350 0.010 0.000 0.194 271 E C 2.081 178.631 176.600 -0.083 0.000 0.997 271 E CA 1.996 58.389 56.400 -0.011 0.000 0.801 271 E CB -0.240 29.487 29.700 0.045 0.000 0.746 271 E HN 0.480 nan 8.360 nan 0.000 0.450 272 I N 0.664 121.221 120.570 -0.022 0.000 2.614 272 I HA -0.174 4.001 4.170 0.010 0.000 0.258 272 I C 1.953 178.060 176.117 -0.017 0.000 1.189 272 I CA 1.336 62.616 61.300 -0.034 0.000 1.462 272 I CB -0.181 37.862 38.000 0.073 0.000 1.092 272 I HN 0.120 nan 8.210 nan 0.000 0.442 273 T N -0.265 114.301 114.554 0.020 0.000 2.812 273 T HA -0.124 4.232 4.350 0.010 0.000 0.264 273 T C 1.735 176.537 174.700 0.170 0.000 1.042 273 T CA 1.426 63.584 62.100 0.096 0.000 1.140 273 T CB -0.155 68.774 68.868 0.102 0.000 0.870 273 T HN 0.375 nan 8.240 nan 0.000 0.445 274 E N 0.450 120.708 120.200 0.095 0.000 2.268 274 E HA 0.082 4.437 4.350 0.010 0.000 0.195 274 E C 1.906 178.543 176.600 0.062 0.000 0.995 274 E CA 0.427 56.878 56.400 0.085 0.000 0.836 274 E CB -0.093 29.628 29.700 0.035 0.000 0.763 274 E HN 0.373 nan 8.360 nan 0.000 0.491 275 L N -0.329 120.898 121.223 0.006 0.000 2.341 275 L HA -0.089 4.257 4.340 0.010 0.000 0.214 275 L C 1.832 178.809 176.870 0.177 0.000 1.115 275 L CA 0.208 55.069 54.840 0.035 0.000 0.820 275 L CB 0.105 42.061 42.059 -0.172 0.000 0.944 275 L HN 0.342 nan 8.230 nan 0.000 0.452 276 C N -0.565 118.816 119.300 0.134 0.000 2.492 276 C HA -0.009 4.457 4.460 0.010 0.000 0.279 276 C C 2.591 177.773 174.990 0.320 0.000 1.335 276 C CA -0.044 59.067 59.018 0.155 0.000 1.734 276 C CB -0.274 27.473 27.740 0.011 0.000 2.027 276 C HN 0.407 nan 8.230 nan 0.000 0.496 277 I N 0.943 121.718 120.570 0.341 0.000 2.226 277 I HA -0.267 3.908 4.170 0.010 0.000 0.245 277 I C 2.630 178.819 176.117 0.121 0.000 1.100 277 I CA 1.552 63.000 61.300 0.248 0.000 1.374 277 I CB -0.535 37.574 38.000 0.181 0.000 1.057 277 I HN 0.471 nan 8.210 nan 0.000 0.413 278 Q N -0.241 119.616 119.800 0.095 0.000 2.170 278 Q HA -0.211 4.134 4.340 0.010 0.000 0.203 278 Q C 0.717 176.633 176.000 -0.141 0.000 0.976 278 Q CA 1.230 57.012 55.803 -0.034 0.000 0.858 278 Q CB -0.159 28.541 28.738 -0.063 0.000 0.907 278 Q HN 0.616 nan 8.270 nan 0.000 0.433 279 H N -1.035 118.032 119.070 -0.005 0.000 2.655 279 H HA 0.256 4.818 4.556 0.010 0.000 0.309 279 H C 0.677 175.995 175.328 -0.017 0.000 1.180 279 H CA 0.401 56.422 56.048 -0.045 0.000 1.087 279 H CB 0.120 29.815 29.762 -0.112 0.000 1.494 279 H HN 0.387 nan 8.280 nan 0.000 0.515 280 G N 0.069 108.905 108.800 0.060 0.000 2.168 280 G HA2 -0.309 3.656 3.960 0.010 0.000 0.257 280 G HA3 -0.309 3.656 3.960 0.010 0.000 0.257 280 G C 0.060 175.028 174.900 0.113 0.000 0.997 280 G CA 0.209 45.335 45.100 0.043 0.000 0.708 280 G HN 0.510 nan 8.290 nan 0.000 0.520 281 W N 1.604 122.890 121.300 -0.022 0.000 2.272 281 W HA 0.635 5.301 4.660 0.010 0.000 0.318 281 W C 0.235 176.749 176.519 -0.009 0.000 1.255 281 W CA -0.181 57.153 57.345 -0.018 0.000 1.200 281 W CB 0.853 30.316 29.460 0.004 0.000 1.170 281 W HN 0.031 nan 8.180 nan 0.000 0.549 282 T N 9.579 123.775 114.554 -0.596 0.000 2.875 282 T HA 0.176 4.532 4.350 0.010 0.000 0.307 282 T C -2.150 171.806 174.700 -1.240 0.000 1.013 282 T CA -0.942 60.773 62.100 -0.642 0.000 0.970 282 T CB 0.085 68.754 68.868 -0.331 0.000 0.986 282 T HN 0.221 nan 8.240 nan 0.000 0.536 283 P HA 0.214 nan 4.420 nan 0.000 0.268 283 P C 0.505 177.377 177.300 -0.713 0.000 1.205 283 P CA -0.099 62.176 63.100 -1.374 0.000 0.771 283 P CB 0.994 32.277 31.700 -0.694 0.000 0.858 284 G N 1.994 110.532 108.800 -0.437 0.000 2.630 284 G HA2 0.269 4.235 3.960 0.010 0.000 0.223 284 G HA3 0.269 4.235 3.960 0.010 0.000 0.223 284 G C 0.088 174.665 174.900 -0.538 0.000 1.434 284 G CA -0.632 44.324 45.100 -0.240 0.000 1.057 284 G HN 0.777 nan 8.290 nan 0.000 0.570 285 N N -1.552 116.982 118.700 -0.276 0.000 2.498 285 N HA 0.257 5.003 4.740 0.010 0.000 0.272 285 N C 0.225 175.764 175.510 0.047 0.000 1.534 285 N CA -0.421 52.413 53.050 -0.362 0.000 0.873 285 N CB 0.660 38.959 38.487 -0.314 0.000 1.415 285 N HN 0.678 nan 8.380 nan 0.000 0.496 286 G N 0.533 109.491 108.800 0.263 0.000 2.601 286 G HA2 0.325 4.290 3.960 0.010 0.000 0.317 286 G HA3 0.325 4.290 3.960 0.010 0.000 0.317 286 G C 0.522 175.504 174.900 0.137 0.000 1.246 286 G CA -0.713 44.479 45.100 0.154 0.000 1.012 286 G HN 0.129 nan 8.290 nan 0.000 0.494 287 R N -1.073 119.352 120.500 -0.126 0.000 2.127 287 R HA 0.087 4.433 4.340 0.010 0.000 0.217 287 R C 0.209 176.223 176.300 -0.477 0.000 1.074 287 R CA 0.825 56.716 56.100 -0.348 0.000 0.991 287 R CB 0.052 29.952 30.300 -0.667 0.000 0.895 287 R HN 0.431 nan 8.270 nan 0.000 0.450 288 F N 1.528 121.391 119.950 -0.145 0.000 2.701 288 F HA 0.244 4.777 4.527 0.010 0.000 0.315 288 F C -0.531 175.154 175.800 -0.191 0.000 1.277 288 F CA -0.976 56.653 58.000 -0.618 0.000 1.180 288 F CB 0.545 39.045 39.000 -0.834 0.000 1.273 288 F HN -0.266 nan 8.300 nan 0.000 0.532 289 D N 1.505 122.039 120.400 0.222 0.000 2.274 289 D HA 0.182 4.828 4.640 0.010 0.000 0.239 289 D C 0.052 176.584 176.300 0.387 0.000 1.104 289 D CA -0.070 54.138 54.000 0.347 0.000 0.840 289 D CB 2.421 43.489 40.800 0.448 0.000 1.100 289 D HN -0.048 nan 8.370 nan 0.000 0.477 290 V N 3.929 124.039 119.914 0.327 0.000 2.450 290 V HA -0.012 4.114 4.120 0.010 0.000 0.281 290 V C 1.021 177.100 176.094 -0.024 0.000 1.019 290 V CA -0.196 62.176 62.300 0.120 0.000 1.062 290 V CB -0.063 31.790 31.823 0.050 0.000 0.979 290 V HN 0.347 nan 8.190 nan 0.000 0.477 291 L N 8.634 129.754 121.223 -0.172 0.000 2.473 291 L HA 0.287 4.633 4.340 0.010 0.000 0.268 291 L C -1.593 175.015 176.870 -0.438 0.000 1.215 291 L CA -1.131 53.451 54.840 -0.429 0.000 0.823 291 L CB 0.467 42.318 42.059 -0.347 0.000 1.099 291 L HN 0.482 nan 8.230 nan 0.000 0.483 292 P HA 0.242 nan 4.420 nan 0.000 0.281 292 P C -1.164 175.973 177.300 -0.271 0.000 1.264 292 P CA -0.574 62.256 63.100 -0.449 0.000 0.824 292 P CB 1.085 32.383 31.700 -0.671 0.000 1.092 293 L N 1.318 122.472 121.223 -0.116 0.000 2.292 293 L HA 0.355 4.701 4.340 0.010 0.000 0.284 293 L C 0.554 177.405 176.870 -0.032 0.000 1.065 293 L CA -0.653 54.169 54.840 -0.031 0.000 0.806 293 L CB 0.554 42.665 42.059 0.087 0.000 1.175 293 L HN 0.231 nan 8.230 nan 0.000 0.431 294 L N 5.651 126.837 121.223 -0.063 0.000 2.321 294 L HA 0.421 4.767 4.340 0.010 0.000 0.272 294 L C -0.576 176.206 176.870 -0.147 0.000 1.050 294 L CA -0.281 54.446 54.840 -0.189 0.000 0.893 294 L CB 0.658 42.543 42.059 -0.291 0.000 1.272 294 L HN 0.481 nan 8.230 nan 0.000 0.435 295 L N 3.703 124.891 121.223 -0.058 0.000 2.307 295 L HA 0.480 4.826 4.340 0.010 0.000 0.282 295 L C -0.136 176.684 176.870 -0.083 0.000 1.051 295 L CA -0.284 54.539 54.840 -0.029 0.000 0.804 295 L CB 1.596 43.653 42.059 -0.004 0.000 1.197 295 L HN 0.537 nan 8.230 nan 0.000 0.431 296 Q N 2.708 122.480 119.800 -0.047 0.000 2.292 296 Q HA 0.681 5.027 4.340 0.010 0.000 0.270 296 Q C -1.302 174.636 176.000 -0.105 0.000 1.024 296 Q CA -0.586 55.183 55.803 -0.057 0.000 0.768 296 Q CB 2.208 30.979 28.738 0.055 0.000 1.250 296 Q HN 0.781 nan 8.270 nan 0.000 0.447 297 A N 4.629 127.337 122.820 -0.186 0.000 2.264 297 A HA 0.669 4.994 4.320 0.010 0.000 0.304 297 A C -2.422 174.900 177.584 -0.437 0.000 1.100 297 A CA -1.691 50.061 52.037 -0.475 0.000 0.839 297 A CB 0.121 18.955 19.000 -0.278 0.000 1.121 297 A HN 0.656 nan 8.150 nan 0.000 0.496 298 P HA 0.063 nan 4.420 nan 0.000 0.258 298 P C -0.616 176.596 177.300 -0.146 0.000 1.187 298 P CA 0.964 63.872 63.100 -0.320 0.000 0.767 298 P CB 0.102 31.625 31.700 -0.295 0.000 0.770 299 D N 0.155 120.509 120.400 -0.078 0.000 3.046 299 D HA -0.172 4.474 4.640 0.010 0.000 0.210 299 D C -0.017 176.272 176.300 -0.018 0.000 1.124 299 D CA 1.253 55.236 54.000 -0.028 0.000 0.986 299 D CB -0.801 39.986 40.800 -0.023 0.000 1.118 299 D HN 0.528 nan 8.370 nan 0.000 0.416 300 E N -0.286 119.893 120.200 -0.035 0.000 2.232 300 E HA 0.675 5.031 4.350 0.010 0.000 0.264 300 E C 0.012 176.611 176.600 -0.002 0.000 0.973 300 E CA -0.672 55.715 56.400 -0.023 0.000 0.849 300 E CB 1.436 31.109 29.700 -0.045 0.000 1.198 300 E HN 0.162 nan 8.360 nan 0.000 0.407 301 A N 2.222 125.040 122.820 -0.004 0.000 2.302 301 A HA 0.428 4.754 4.320 0.010 0.000 0.285 301 A C -2.154 175.366 177.584 -0.108 0.000 1.105 301 A CA -1.260 50.775 52.037 -0.003 0.000 0.816 301 A CB -0.102 18.912 19.000 0.022 0.000 1.067 301 A HN 0.369 nan 8.150 nan 0.000 0.489 302 P HA 0.173 nan 4.420 nan 0.000 0.270 302 P C -0.579 176.537 177.300 -0.306 0.000 1.223 302 P CA 0.195 63.014 63.100 -0.468 0.000 0.785 302 P CB 0.717 31.704 31.700 -1.188 0.000 0.923 303 E N -0.115 119.945 120.200 -0.233 0.000 2.320 303 E HA 0.528 4.883 4.350 0.010 0.000 0.264 303 E C -0.902 175.520 176.600 -0.296 0.000 0.923 303 E CA -1.049 55.213 56.400 -0.229 0.000 0.796 303 E CB 1.621 31.224 29.700 -0.162 0.000 1.262 303 E HN 0.238 nan 8.360 nan 0.000 0.428 304 L N 1.428 122.373 121.223 -0.464 0.000 2.334 304 L HA 0.592 4.937 4.340 0.010 0.000 0.272 304 L C -1.611 174.781 176.870 -0.797 0.000 1.020 304 L CA -0.157 54.437 54.840 -0.410 0.000 0.812 304 L CB 0.763 42.674 42.059 -0.247 0.000 1.264 304 L HN 0.438 nan 8.230 nan 0.000 0.439 305 F N 2.477 122.214 119.950 -0.355 0.000 2.608 305 F HA 0.540 5.074 4.527 0.011 0.000 0.309 305 F C -0.691 174.851 175.800 -0.430 0.000 1.103 305 F CA -0.824 56.812 58.000 -0.605 0.000 0.954 305 F CB 2.012 40.296 39.000 -1.193 0.000 1.267 305 F HN 0.020 nan 8.300 nan 0.000 0.444 306 V N 3.992 123.808 119.914 -0.163 0.000 2.435 306 V HA 0.395 4.521 4.120 0.010 0.000 0.290 306 V C -0.075 176.121 176.094 0.170 0.000 1.030 306 V CA -0.857 61.445 62.300 0.003 0.000 0.881 306 V CB 1.775 33.633 31.823 0.057 0.000 0.983 306 V HN 0.537 nan 8.190 nan 0.000 0.445 307 L N 6.685 128.024 121.223 0.194 0.000 2.410 307 L HA 0.269 4.615 4.340 0.010 0.000 0.273 307 L C -2.155 174.817 176.870 0.169 0.000 1.144 307 L CA -1.410 53.575 54.840 0.240 0.000 0.863 307 L CB 0.521 42.650 42.059 0.117 0.000 1.140 307 L HN 0.420 nan 8.230 nan 0.000 0.463 308 P HA 0.066 nan 4.420 nan 0.000 0.264 308 P C -1.945 175.401 177.300 0.078 0.000 1.229 308 P CA -0.906 62.263 63.100 0.116 0.000 0.780 308 P CB 0.443 32.201 31.700 0.097 0.000 0.808 309 P HA -0.280 nan 4.420 nan 0.000 0.219 309 P C 1.391 178.720 177.300 0.048 0.000 1.151 309 P CA 1.438 64.577 63.100 0.065 0.000 0.850 309 P CB -0.125 31.617 31.700 0.070 0.000 0.784 310 E N -0.372 119.854 120.200 0.042 0.000 2.208 310 E HA -0.117 4.239 4.350 0.010 0.000 0.193 310 E C 1.834 178.448 176.600 0.023 0.000 0.988 310 E CA 1.017 57.435 56.400 0.030 0.000 0.828 310 E CB -1.080 28.636 29.700 0.026 0.000 0.763 310 E HN 0.308 nan 8.360 nan 0.000 0.478 311 L N 1.093 122.329 121.223 0.023 0.000 2.179 311 L HA 0.039 4.385 4.340 0.010 0.000 0.208 311 L C 1.070 177.949 176.870 0.015 0.000 1.096 311 L CA 0.312 55.159 54.840 0.012 0.000 0.779 311 L CB 0.030 42.086 42.059 -0.004 0.000 0.922 311 L HN -0.090 nan 8.230 nan 0.000 0.443 312 V N 2.800 122.724 119.914 0.017 0.000 2.287 312 V HA 0.045 4.171 4.120 0.010 0.000 0.246 312 V C 0.277 176.390 176.094 0.031 0.000 1.165 312 V CA -0.402 61.906 62.300 0.013 0.000 1.088 312 V CB 0.190 32.011 31.823 -0.003 0.000 1.242 312 V HN 0.091 nan 8.190 nan 0.000 0.497 313 L N 5.012 126.258 121.223 0.039 0.000 2.455 313 L HA 0.334 4.680 4.340 0.010 0.000 0.272 313 L C 0.232 177.125 176.870 0.039 0.000 1.174 313 L CA 0.895 55.753 54.840 0.029 0.000 0.869 313 L CB 0.230 42.303 42.059 0.023 0.000 1.130 313 L HN 0.636 nan 8.230 nan 0.000 0.474 314 E N 3.218 123.421 120.200 0.006 0.000 2.343 314 E HA 0.584 4.940 4.350 0.010 0.000 0.270 314 E C -1.549 174.996 176.600 -0.093 0.000 0.895 314 E CA -0.951 55.446 56.400 -0.006 0.000 0.767 314 E CB 2.458 32.183 29.700 0.041 0.000 1.248 314 E HN 0.393 nan 8.360 nan 0.000 0.440 315 V N 2.901 122.725 119.914 -0.151 0.000 2.444 315 V HA 0.340 4.466 4.120 0.010 0.000 0.294 315 V C -2.467 173.561 176.094 -0.111 0.000 1.022 315 V CA -2.069 60.096 62.300 -0.225 0.000 0.850 315 V CB 1.461 32.936 31.823 -0.580 0.000 0.992 315 V HN 0.539 nan 8.190 nan 0.000 0.426 316 P HA 0.360 nan 4.420 nan 0.000 0.280 316 P C -0.745 176.576 177.300 0.036 0.000 1.244 316 P CA -0.219 62.872 63.100 -0.015 0.000 0.784 316 P CB 0.644 32.346 31.700 0.002 0.000 0.913 317 L N 3.537 124.819 121.223 0.098 0.000 2.292 317 L HA 0.504 4.850 4.340 0.010 0.000 0.284 317 L C 0.964 177.989 176.870 0.260 0.000 1.065 317 L CA -0.202 54.752 54.840 0.190 0.000 0.806 317 L CB 0.662 42.898 42.059 0.295 0.000 1.175 317 L HN 0.498 nan 8.230 nan 0.000 0.431 318 E N 1.525 121.833 120.200 0.179 0.000 2.429 318 E HA 0.430 4.786 4.350 0.010 0.000 0.276 318 E C -1.375 175.169 176.600 -0.093 0.000 0.953 318 E CA -0.953 55.541 56.400 0.156 0.000 0.787 318 E CB 2.179 31.955 29.700 0.127 0.000 1.307 318 E HN 0.466 nan 8.360 nan 0.000 0.458 319 H N 0.944 119.823 119.070 -0.318 0.000 2.499 319 H HA 0.266 4.828 4.556 0.010 0.000 0.340 319 H C -1.774 173.182 175.328 -0.620 0.000 1.148 319 H CA -2.333 53.373 56.048 -0.571 0.000 1.215 319 H CB 2.090 31.470 29.762 -0.637 0.000 1.529 319 H HN 0.439 nan 8.280 nan 0.000 0.510 320 P HA -0.084 nan 4.420 nan 0.000 0.221 320 P C 0.819 177.967 177.300 -0.254 0.000 1.150 320 P CA 1.464 64.051 63.100 -0.854 0.000 0.800 320 P CB 0.480 31.692 31.700 -0.812 0.000 0.787 321 T N -5.121 109.455 114.554 0.037 0.000 3.080 321 T HA 0.239 4.595 4.350 0.010 0.000 0.280 321 T C 0.499 175.164 174.700 -0.058 0.000 0.926 321 T CA -0.235 61.876 62.100 0.019 0.000 0.883 321 T CB -0.449 68.441 68.868 0.037 0.000 1.194 321 T HN -0.065 nan 8.240 nan 0.000 0.541 322 L N 2.499 123.612 121.223 -0.184 0.000 2.287 322 L HA 0.489 4.835 4.340 0.010 0.000 0.280 322 L C 1.113 177.625 176.870 -0.596 0.000 1.055 322 L CA -0.571 53.896 54.840 -0.621 0.000 0.863 322 L CB 1.067 42.359 42.059 -1.278 0.000 1.245 322 L HN 0.178 nan 8.230 nan 0.000 0.432 323 E N 3.326 123.338 120.200 -0.315 0.000 2.118 323 E HA -0.212 4.144 4.350 0.010 0.000 0.195 323 E C 1.635 178.179 176.600 -0.093 0.000 0.992 323 E CA 1.739 58.059 56.400 -0.133 0.000 0.804 323 E CB 0.019 29.719 29.700 0.001 0.000 0.741 323 E HN 0.810 nan 8.360 nan 0.000 0.458 324 W N 0.290 121.634 121.300 0.074 0.000 2.402 324 W HA -0.117 4.550 4.660 0.010 0.000 0.286 324 W C 1.727 178.297 176.519 0.085 0.000 1.221 324 W CA 0.039 57.419 57.345 0.059 0.000 1.257 324 W CB -1.135 28.339 29.460 0.023 0.000 1.120 324 W HN -0.031 nan 8.180 nan 0.000 0.551 325 F N 2.939 122.585 119.950 -0.506 0.000 2.115 325 F HA -0.231 4.302 4.527 0.010 0.000 0.300 325 F C 2.744 178.541 175.800 -0.005 0.000 1.092 325 F CA 3.210 61.053 58.000 -0.262 0.000 1.245 325 F CB -0.588 38.102 39.000 -0.517 0.000 0.995 325 F HN -0.067 nan 8.300 nan 0.000 0.481 326 A N 0.131 123.072 122.820 0.202 0.000 1.948 326 A HA -0.182 4.144 4.320 0.010 0.000 0.220 326 A C 2.329 179.985 177.584 0.120 0.000 1.177 326 A CA 1.825 53.965 52.037 0.171 0.000 0.636 326 A CB -1.531 17.536 19.000 0.111 0.000 0.815 326 A HN 0.499 nan 8.150 nan 0.000 0.449 327 A N -0.961 121.932 122.820 0.121 0.000 2.070 327 A HA 0.047 4.373 4.320 0.010 0.000 0.220 327 A C 1.818 179.451 177.584 0.081 0.000 1.159 327 A CA 1.417 53.519 52.037 0.107 0.000 0.656 327 A CB -0.453 18.628 19.000 0.136 0.000 0.800 327 A HN 0.393 nan 8.150 nan 0.000 0.453 328 L N -0.662 120.588 121.223 0.044 0.000 2.349 328 L HA 0.009 4.355 4.340 0.010 0.000 0.220 328 L C 1.834 178.737 176.870 0.055 0.000 1.130 328 L CA 1.264 56.102 54.840 -0.003 0.000 0.791 328 L CB -1.145 40.804 42.059 -0.182 0.000 0.918 328 L HN 0.659 nan 8.230 nan 0.000 0.444 329 G N -0.370 108.479 108.800 0.081 0.000 2.273 329 G HA2 -0.286 3.680 3.960 0.010 0.000 0.280 329 G HA3 -0.286 3.680 3.960 0.010 0.000 0.280 329 G C 0.212 175.230 174.900 0.197 0.000 1.047 329 G CA 0.215 45.392 45.100 0.128 0.000 0.869 329 G HN 0.292 nan 8.290 nan 0.000 0.502 330 L N -0.195 121.106 121.223 0.129 0.000 2.334 330 L HA 0.802 5.148 4.340 0.010 0.000 0.277 330 L C 1.014 177.816 176.870 -0.112 0.000 1.075 330 L CA -0.824 54.069 54.840 0.088 0.000 0.804 330 L CB 1.190 43.324 42.059 0.125 0.000 1.174 330 L HN 0.582 nan 8.230 nan 0.000 0.438 331 R N 2.053 122.234 120.500 -0.532 0.000 2.734 331 R HA 0.527 4.873 4.340 0.010 0.000 0.271 331 R C -2.145 173.980 176.300 -0.291 0.000 1.021 331 R CA -0.983 54.889 56.100 -0.379 0.000 0.893 331 R CB 2.039 32.101 30.300 -0.396 0.000 1.244 331 R HN 0.640 nan 8.270 nan 0.000 0.464 332 W N 1.986 123.162 121.300 -0.208 0.000 3.213 332 W HA 0.340 5.006 4.660 0.009 0.000 0.318 332 W C -1.310 175.196 176.519 -0.022 0.000 1.248 332 W CA -1.019 56.276 57.345 -0.082 0.000 1.187 332 W CB 2.058 31.416 29.460 -0.171 0.000 1.403 332 W HN 0.700 nan 8.180 nan 0.000 0.556 333 Y N 1.248 121.348 120.300 -0.333 0.000 2.309 333 Y HA 0.552 5.108 4.550 0.009 0.000 0.327 333 Y C 0.771 176.831 175.900 0.266 0.000 1.172 333 Y CA 0.042 58.076 58.100 -0.109 0.000 1.280 333 Y CB 0.463 38.736 38.460 -0.312 0.000 1.234 333 Y HN 0.366 nan 8.280 nan 0.000 0.512 334 A N 3.171 126.184 122.820 0.322 0.000 1.929 334 A HA -0.003 4.323 4.320 0.010 0.000 0.216 334 A C 0.614 178.527 177.584 0.548 0.000 1.176 334 A CA 0.553 52.849 52.037 0.431 0.000 0.628 334 A CB -0.374 18.737 19.000 0.184 0.000 0.816 334 A HN 0.705 nan 8.150 nan 0.000 0.444 335 L N 1.956 123.454 121.223 0.459 0.000 2.257 335 L HA 0.407 4.753 4.340 0.010 0.000 0.290 335 L C -2.507 174.541 176.870 0.296 0.000 1.044 335 L CA -2.223 52.804 54.840 0.312 0.000 0.810 335 L CB 1.464 43.638 42.059 0.192 0.000 1.193 335 L HN 0.015 nan 8.230 nan 0.000 0.425 336 P HA 0.364 nan 4.420 nan 0.000 0.297 336 P C -1.496 175.725 177.300 -0.132 0.000 1.319 336 P CA -0.511 62.499 63.100 -0.150 0.000 0.810 336 P CB 1.671 32.901 31.700 -0.784 0.000 0.947 337 A N 4.133 126.861 122.820 -0.152 0.000 2.984 337 A HA 0.329 4.655 4.320 0.010 0.000 0.320 337 A C -0.227 177.092 177.584 -0.441 0.000 1.142 337 A CA -0.566 51.285 52.037 -0.310 0.000 0.772 337 A CB 0.300 19.136 19.000 -0.272 0.000 1.195 337 A HN 0.281 nan 8.150 nan 0.000 0.459 338 V N 2.369 121.860 119.914 -0.705 0.000 2.539 338 V HA 0.064 4.190 4.120 0.010 0.000 0.300 338 V C 1.263 176.974 176.094 -0.639 0.000 1.019 338 V CA 1.640 63.538 62.300 -0.670 0.000 1.160 338 V CB 0.553 31.842 31.823 -0.890 0.000 0.901 338 V HN 1.020 nan 8.190 nan 0.000 0.481 339 S N 1.823 117.347 115.700 -0.294 0.000 2.819 339 S HA 0.085 4.561 4.470 0.010 0.000 0.249 339 S C 0.776 175.349 174.600 -0.044 0.000 1.030 339 S CA 0.019 58.122 58.200 -0.163 0.000 1.052 339 S CB -0.383 62.746 63.200 -0.118 0.000 1.017 339 S HN 0.940 nan 8.310 nan 0.000 0.576 340 N N 0.258 118.938 118.700 -0.034 0.000 2.171 340 N HA 0.294 5.040 4.740 0.010 0.000 0.212 340 N C 0.089 175.636 175.510 0.061 0.000 1.184 340 N CA -0.507 52.553 53.050 0.016 0.000 0.888 340 N CB 0.126 38.616 38.487 0.004 0.000 1.038 340 N HN 0.236 nan 8.380 nan 0.000 0.517 341 M N 1.525 121.180 119.600 0.092 0.000 2.274 341 M HA 0.257 4.743 4.480 0.010 0.000 0.344 341 M C -0.531 175.899 176.300 0.216 0.000 1.161 341 M CA -0.799 54.604 55.300 0.171 0.000 1.126 341 M CB 2.135 34.870 32.600 0.224 0.000 1.522 341 M HN 0.155 nan 8.290 nan 0.000 0.461 342 L N 3.540 124.872 121.223 0.182 0.000 2.292 342 L HA 0.449 4.795 4.340 0.010 0.000 0.284 342 L C -1.163 175.803 176.870 0.160 0.000 1.065 342 L CA -0.650 54.284 54.840 0.156 0.000 0.806 342 L CB 0.873 42.981 42.059 0.081 0.000 1.175 342 L HN 0.586 nan 8.230 nan 0.000 0.431 343 L N 5.491 126.797 121.223 0.137 0.000 2.265 343 L HA 0.465 4.810 4.340 0.010 0.000 0.289 343 L C -0.570 176.289 176.870 -0.019 0.000 1.033 343 L CA 0.178 54.965 54.840 -0.087 0.000 0.814 343 L CB 1.005 42.988 42.059 -0.127 0.000 1.203 343 L HN 0.671 nan 8.230 nan 0.000 0.423 344 E N 6.458 126.579 120.200 -0.131 0.000 2.133 344 E HA 0.407 4.763 4.350 0.010 0.000 0.274 344 E C -1.546 174.966 176.600 -0.146 0.000 0.930 344 E CA -0.433 55.922 56.400 -0.075 0.000 0.770 344 E CB 1.132 30.788 29.700 -0.072 0.000 1.104 344 E HN 0.730 nan 8.360 nan 0.000 0.403 345 I N 2.363 122.854 120.570 -0.132 0.000 2.499 345 I HA 0.271 4.447 4.170 0.010 0.000 0.288 345 I C 0.942 176.848 176.117 -0.352 0.000 1.048 345 I CA -0.676 60.419 61.300 -0.342 0.000 1.062 345 I CB 2.096 39.805 38.000 -0.485 0.000 1.238 345 I HN 0.795 nan 8.210 nan 0.000 0.426 346 G N 4.090 112.707 108.800 -0.306 0.000 2.337 346 G HA2 -0.151 3.815 3.960 0.010 0.000 0.290 346 G HA3 -0.151 3.815 3.960 0.010 0.000 0.290 346 G C 1.053 176.025 174.900 0.119 0.000 1.003 346 G CA 0.972 46.107 45.100 0.058 0.000 0.825 346 G HN 1.568 nan 8.290 nan 0.000 0.509 347 G N -1.754 107.053 108.800 0.013 0.000 2.284 347 G HA2 -0.247 3.719 3.960 0.010 0.000 0.230 347 G HA3 -0.247 3.719 3.960 0.010 0.000 0.230 347 G C 0.578 175.417 174.900 -0.102 0.000 1.021 347 G CA 0.269 45.371 45.100 0.003 0.000 0.619 347 G HN 1.239 nan 8.290 nan 0.000 0.510 348 L N 1.402 122.500 121.223 -0.209 0.000 2.453 348 L HA 0.412 4.758 4.340 0.010 0.000 0.272 348 L C 0.353 177.047 176.870 -0.294 0.000 1.182 348 L CA 0.224 54.839 54.840 -0.374 0.000 0.858 348 L CB 0.626 42.356 42.059 -0.549 0.000 1.120 348 L HN 0.277 nan 8.230 nan 0.000 0.474 349 E N 3.434 123.415 120.200 -0.365 0.000 2.129 349 E HA 0.310 4.666 4.350 0.010 0.000 0.268 349 E C -1.323 175.081 176.600 -0.326 0.000 0.900 349 E CA -0.357 55.910 56.400 -0.222 0.000 0.755 349 E CB 1.270 30.891 29.700 -0.131 0.000 1.117 349 E HN 0.287 nan 8.360 nan 0.000 0.410 350 F N 2.253 122.160 119.950 -0.072 0.000 2.309 350 F HA 0.067 4.601 4.527 0.011 0.000 0.366 350 F C 1.689 177.512 175.800 0.039 0.000 1.104 350 F CA -0.425 57.563 58.000 -0.020 0.000 1.179 350 F CB 0.872 39.847 39.000 -0.041 0.000 1.437 350 F HN 0.453 nan 8.300 nan 0.000 0.528 351 S N 1.589 117.380 115.700 0.151 0.000 2.465 351 S HA 0.047 4.523 4.470 0.010 0.000 0.241 351 S C 0.808 175.517 174.600 0.181 0.000 1.000 351 S CA 0.494 58.777 58.200 0.138 0.000 0.964 351 S CB -0.070 63.188 63.200 0.098 0.000 0.763 351 S HN 0.496 nan 8.310 nan 0.000 0.512 352 A N 0.193 123.166 122.820 0.254 0.000 2.375 352 A HA 0.832 5.158 4.320 0.010 0.000 0.291 352 A C -0.219 177.596 177.584 0.386 0.000 1.160 352 A CA -0.184 52.009 52.037 0.261 0.000 0.747 352 A CB 1.206 20.311 19.000 0.175 0.000 1.170 352 A HN 1.127 nan 8.150 nan 0.000 0.458 353 A N 4.108 127.119 122.820 0.319 0.000 3.399 353 A HA 0.607 4.933 4.320 0.010 0.000 0.262 353 A C -2.959 174.786 177.584 0.269 0.000 1.145 353 A CA -0.861 51.352 52.037 0.293 0.000 0.916 353 A CB 0.251 19.390 19.000 0.233 0.000 1.360 353 A HN 0.540 nan 8.150 nan 0.000 0.628 354 P HA 0.322 nan 4.420 nan 0.000 0.264 354 P C -0.672 176.694 177.300 0.109 0.000 1.183 354 P CA 0.632 63.736 63.100 0.007 0.000 0.763 354 P CB 0.136 31.806 31.700 -0.050 0.000 0.807 355 F N 0.023 119.946 119.950 -0.044 0.000 2.603 355 F HA 0.791 5.323 4.527 0.009 0.000 0.317 355 F C -0.652 175.082 175.800 -0.111 0.000 1.066 355 F CA -1.270 56.689 58.000 -0.068 0.000 0.941 355 F CB 1.666 40.477 39.000 -0.314 0.000 1.291 355 F HN 0.428 nan 8.300 nan 0.000 0.472 356 S N 0.142 115.970 115.700 0.212 0.000 2.550 356 S HA 0.910 5.386 4.470 0.010 0.000 0.270 356 S C -0.742 173.852 174.600 -0.011 0.000 1.145 356 S CA -0.147 58.108 58.200 0.092 0.000 0.852 356 S CB 1.443 64.758 63.200 0.192 0.000 1.119 356 S HN 1.510 nan 8.310 nan 0.000 0.465 357 G N 0.129 108.876 108.800 -0.089 0.000 3.193 357 G HA2 0.687 4.653 3.960 0.010 0.000 0.186 357 G HA3 0.687 4.653 3.960 0.010 0.000 0.186 357 G C -1.362 173.584 174.900 0.076 0.000 1.536 357 G CA 0.014 44.991 45.100 -0.204 0.000 0.943 357 G HN 1.343 nan 8.290 nan 0.000 0.781 358 W N -1.299 120.005 121.300 0.007 0.000 3.146 358 W HA 0.783 5.448 4.660 0.008 0.000 0.319 358 W C -1.780 174.744 176.519 0.009 0.000 1.258 358 W CA -2.238 55.127 57.345 0.033 0.000 1.189 358 W CB 0.197 29.717 29.460 0.100 0.000 1.412 358 W HN 0.383 nan 8.180 nan 0.000 0.567 359 Y N 2.861 123.367 120.300 0.343 0.000 2.357 359 Y HA 0.326 4.882 4.550 0.010 0.000 0.340 359 Y C 0.914 176.894 175.900 0.133 0.000 1.260 359 Y CA -0.448 57.737 58.100 0.143 0.000 1.425 359 Y CB 0.961 39.415 38.460 -0.011 0.000 1.326 359 Y HN 0.495 nan 8.280 nan 0.000 0.580 360 M N 1.904 121.661 119.600 0.261 0.000 2.243 360 M HA 0.222 4.707 4.480 0.010 0.000 0.324 360 M C 1.133 177.426 176.300 -0.011 0.000 1.031 360 M CA -0.324 55.052 55.300 0.126 0.000 0.949 360 M CB 1.570 34.230 32.600 0.100 0.000 1.615 360 M HN 0.880 nan 8.290 nan 0.000 0.430 361 S N 2.848 118.499 115.700 -0.081 0.000 2.451 361 S HA -0.288 4.188 4.470 0.010 0.000 0.272 361 S C 1.486 175.963 174.600 -0.205 0.000 1.136 361 S CA 3.227 61.322 58.200 -0.176 0.000 1.209 361 S CB -1.138 62.025 63.200 -0.063 0.000 1.130 361 S HN 0.963 nan 8.310 nan 0.000 0.440 362 T N -1.068 113.400 114.554 -0.144 0.000 2.881 362 T HA -0.038 4.318 4.350 0.010 0.000 0.270 362 T C 1.635 176.197 174.700 -0.230 0.000 1.068 362 T CA 1.510 63.478 62.100 -0.220 0.000 1.131 362 T CB -0.764 67.942 68.868 -0.271 0.000 0.871 362 T HN 0.698 nan 8.240 nan 0.000 0.479 363 E N 0.736 120.828 120.200 -0.182 0.000 2.097 363 E HA -0.081 4.275 4.350 0.010 0.000 0.196 363 E C 2.038 178.417 176.600 -0.368 0.000 1.000 363 E CA 1.581 57.883 56.400 -0.164 0.000 0.804 363 E CB -0.259 29.482 29.700 0.068 0.000 0.740 363 E HN 0.640 nan 8.360 nan 0.000 0.454 364 I N -0.542 119.682 120.570 -0.576 0.000 2.512 364 I HA -0.012 4.164 4.170 0.010 0.000 0.247 364 I C 2.455 178.241 176.117 -0.552 0.000 1.094 364 I CA 0.750 61.539 61.300 -0.852 0.000 1.427 364 I CB -0.330 37.019 38.000 -1.085 0.000 1.149 364 I HN 0.071 nan 8.210 nan 0.000 0.438 365 G N -0.113 108.454 108.800 -0.390 0.000 2.625 365 G HA2 -0.094 3.872 3.960 0.010 0.000 0.214 365 G HA3 -0.094 3.872 3.960 0.010 0.000 0.214 365 G C 1.407 176.198 174.900 -0.182 0.000 1.132 365 G CA 1.210 46.168 45.100 -0.237 0.000 0.782 365 G HN 0.299 nan 8.290 nan 0.000 0.538 366 T N -1.147 113.277 114.554 -0.217 0.000 3.176 366 T HA 0.141 4.497 4.350 0.010 0.000 0.259 366 T C 2.365 176.965 174.700 -0.166 0.000 0.978 366 T CA -0.187 61.807 62.100 -0.176 0.000 1.050 366 T CB 0.371 69.116 68.868 -0.205 0.000 1.136 366 T HN -0.003 nan 8.240 nan 0.000 0.465 367 R N 2.171 122.553 120.500 -0.197 0.000 2.048 367 R HA 0.229 4.574 4.340 0.010 0.000 0.224 367 R C 2.102 178.306 176.300 -0.160 0.000 1.163 367 R CA 0.967 56.963 56.100 -0.175 0.000 0.956 367 R CB -1.185 29.012 30.300 -0.172 0.000 0.849 367 R HN 0.283 nan 8.270 nan 0.000 0.435 368 N N 1.312 119.883 118.700 -0.215 0.000 2.036 368 N HA -0.137 4.609 4.740 0.010 0.000 0.195 368 N C 1.986 177.485 175.510 -0.018 0.000 1.037 368 N CA 1.300 54.249 53.050 -0.169 0.000 0.855 368 N CB -0.415 37.691 38.487 -0.635 0.000 1.033 368 N HN 0.180 nan 8.380 nan 0.000 0.423 369 L N -0.560 120.584 121.223 -0.132 0.000 2.270 369 L HA 0.038 4.384 4.340 0.010 0.000 0.210 369 L C 1.418 178.334 176.870 0.077 0.000 1.104 369 L CA 0.505 55.361 54.840 0.027 0.000 0.804 369 L CB 0.059 42.099 42.059 -0.033 0.000 0.937 369 L HN 0.192 nan 8.230 nan 0.000 0.450 370 C N -1.463 117.839 119.300 0.002 0.000 3.038 370 C HA 0.183 4.649 4.460 0.010 0.000 0.279 370 C C 0.670 175.656 174.990 -0.007 0.000 1.276 370 C CA -0.906 58.120 59.018 0.014 0.000 1.697 370 C CB -0.448 27.285 27.740 -0.012 0.000 2.032 370 C HN 0.283 nan 8.230 nan 0.000 0.636 371 D N 2.912 123.280 120.400 -0.052 0.000 2.414 371 D HA 0.087 4.733 4.640 0.010 0.000 0.242 371 D C -1.054 175.234 176.300 -0.019 0.000 1.129 371 D CA -1.491 52.454 54.000 -0.092 0.000 0.885 371 D CB 0.809 41.415 40.800 -0.323 0.000 1.198 371 D HN 0.156 nan 8.370 nan 0.000 0.437 372 P HA -0.166 nan 4.420 nan 0.000 0.218 372 P C 0.570 177.974 177.300 0.175 0.000 1.148 372 P CA 1.321 64.511 63.100 0.149 0.000 0.822 372 P CB -0.001 31.798 31.700 0.165 0.000 0.784 373 H N -2.202 116.878 119.070 0.018 0.000 2.519 373 H HA 0.377 4.939 4.556 0.010 0.000 0.289 373 H C 0.930 176.264 175.328 0.009 0.000 1.040 373 H CA -0.342 55.713 56.048 0.012 0.000 1.165 373 H CB -0.117 29.654 29.762 0.014 0.000 1.462 373 H HN -0.012 nan 8.280 nan 0.000 0.555 374 R N -0.258 120.171 120.500 -0.119 0.000 2.893 374 R HA 0.188 4.534 4.340 0.010 0.000 0.108 374 R C 1.053 177.292 176.300 -0.103 0.000 0.889 374 R CA -0.716 55.324 56.100 -0.099 0.000 0.627 374 R CB -0.856 29.423 30.300 -0.036 0.000 0.778 374 R HN 0.080 nan 8.270 nan 0.000 0.360 375 Y N 1.675 122.020 120.300 0.076 0.000 2.421 375 Y HA -0.047 4.509 4.550 0.010 0.000 0.292 375 Y C 0.776 176.716 175.900 0.068 0.000 1.136 375 Y CA 1.373 59.531 58.100 0.097 0.000 1.255 375 Y CB -0.408 38.157 38.460 0.175 0.000 0.991 375 Y HN 0.578 nan 8.280 nan 0.000 0.552 376 N N 0.807 119.596 118.700 0.148 0.000 2.707 376 N HA -0.234 4.511 4.740 0.010 0.000 0.253 376 N C 0.603 176.195 175.510 0.138 0.000 0.998 376 N CA 0.306 53.424 53.050 0.113 0.000 0.751 376 N CB -0.978 37.557 38.487 0.081 0.000 0.920 376 N HN 0.630 nan 8.380 nan 0.000 0.539 377 I N -3.049 117.620 120.570 0.164 0.000 3.684 377 I HA 0.019 4.195 4.170 0.010 0.000 0.304 377 I C 1.647 177.859 176.117 0.158 0.000 1.278 377 I CA -0.322 61.070 61.300 0.154 0.000 1.272 377 I CB -0.004 38.093 38.000 0.162 0.000 1.029 377 I HN 0.137 nan 8.210 nan 0.000 0.458 378 L N 1.700 123.024 121.223 0.168 0.000 2.013 378 L HA -0.241 4.105 4.340 0.010 0.000 0.212 378 L C 2.542 179.603 176.870 0.318 0.000 1.073 378 L CA 2.089 57.060 54.840 0.218 0.000 0.753 378 L CB -0.951 41.211 42.059 0.172 0.000 0.890 378 L HN 0.482 nan 8.230 nan 0.000 0.432 379 E N -0.930 119.447 120.200 0.295 0.000 2.031 379 E HA -0.236 4.120 4.350 0.010 0.000 0.193 379 E C 1.788 178.427 176.600 0.064 0.000 0.994 379 E CA 1.410 57.924 56.400 0.189 0.000 0.800 379 E CB 0.009 29.767 29.700 0.097 0.000 0.752 379 E HN 0.518 nan 8.360 nan 0.000 0.447 380 D N 0.070 120.504 120.400 0.057 0.000 2.116 380 D HA -0.176 4.470 4.640 0.010 0.000 0.193 380 D C 2.067 178.362 176.300 -0.008 0.000 0.998 380 D CA 1.220 55.222 54.000 0.005 0.000 0.836 380 D CB -0.334 40.477 40.800 0.017 0.000 0.951 380 D HN 0.145 nan 8.370 nan 0.000 0.449 381 V N 1.425 121.387 119.914 0.080 0.000 2.427 381 V HA -0.170 3.956 4.120 0.010 0.000 0.248 381 V C 2.574 178.732 176.094 0.106 0.000 1.051 381 V CA 1.529 63.918 62.300 0.148 0.000 1.048 381 V CB -0.757 31.247 31.823 0.301 0.000 0.666 381 V HN 0.181 nan 8.190 nan 0.000 0.456 382 A N 0.001 122.906 122.820 0.142 0.000 1.902 382 A HA -0.162 4.164 4.320 0.010 0.000 0.217 382 A C 2.413 179.965 177.584 -0.053 0.000 1.181 382 A CA 2.098 54.217 52.037 0.137 0.000 0.623 382 A CB -0.703 18.467 19.000 0.283 0.000 0.818 382 A HN 0.324 nan 8.150 nan 0.000 0.443 383 V N -0.641 119.194 119.914 -0.132 0.000 2.295 383 V HA -0.337 3.789 4.120 0.010 0.000 0.246 383 V C 2.627 178.553 176.094 -0.281 0.000 1.049 383 V CA 2.114 64.295 62.300 -0.199 0.000 1.024 383 V CB -1.077 30.635 31.823 -0.185 0.000 0.648 383 V HN 0.716 nan 8.190 nan 0.000 0.447 384 C N -0.426 118.629 119.300 -0.409 0.000 2.419 384 C HA -0.132 4.333 4.460 0.010 0.000 0.281 384 C C 2.588 177.053 174.990 -0.874 0.000 1.336 384 C CA 0.944 59.456 59.018 -0.843 0.000 1.770 384 C CB -1.153 25.753 27.740 -1.391 0.000 1.929 384 C HN 0.536 nan 8.230 nan 0.000 0.509 385 M N -0.135 119.228 119.600 -0.396 0.000 2.561 385 M HA 0.063 4.549 4.480 0.010 0.000 0.238 385 M C 0.385 176.642 176.300 -0.073 0.000 1.131 385 M CA 0.754 56.002 55.300 -0.087 0.000 1.046 385 M CB -0.268 32.409 32.600 0.128 0.000 1.532 385 M HN 0.225 nan 8.290 nan 0.000 0.497 386 D N 1.684 122.000 120.400 -0.139 0.000 2.737 386 D HA -0.136 4.510 4.640 0.010 0.000 0.243 386 D C -1.241 175.027 176.300 -0.054 0.000 1.109 386 D CA 0.460 54.399 54.000 -0.103 0.000 0.702 386 D CB -0.947 39.803 40.800 -0.082 0.000 1.068 386 D HN 0.290 nan 8.370 nan 0.000 0.432 387 L N 0.029 121.220 121.223 -0.054 0.000 2.334 387 L HA 0.466 4.812 4.340 0.010 0.000 0.270 387 L C 0.726 177.534 176.870 -0.104 0.000 1.018 387 L CA -1.112 53.722 54.840 -0.010 0.000 0.811 387 L CB 1.239 43.361 42.059 0.105 0.000 1.271 387 L HN -0.001 nan 8.230 nan 0.000 0.443 388 D N 0.888 121.249 120.400 -0.065 0.000 2.383 388 D HA 0.023 4.668 4.640 0.010 0.000 0.245 388 D C 0.995 177.076 176.300 -0.365 0.000 1.263 388 D CA -0.071 53.847 54.000 -0.136 0.000 0.936 388 D CB 0.963 41.746 40.800 -0.027 0.000 1.053 388 D HN 0.631 nan 8.370 nan 0.000 0.507 389 T N 0.968 115.122 114.554 -0.667 0.000 3.129 389 T HA 0.101 4.457 4.350 0.010 0.000 0.251 389 T C 1.278 175.595 174.700 -0.639 0.000 1.117 389 T CA -0.020 61.254 62.100 -1.376 0.000 1.034 389 T CB 0.116 68.188 68.868 -1.328 0.000 0.968 389 T HN 0.128 nan 8.240 nan 0.000 0.526 390 R N 0.970 121.300 120.500 -0.283 0.000 2.466 390 R HA 0.360 4.705 4.340 0.010 0.000 0.279 390 R C 0.095 176.407 176.300 0.020 0.000 0.976 390 R CA 0.018 56.060 56.100 -0.097 0.000 1.081 390 R CB 0.520 30.769 30.300 -0.086 0.000 1.215 390 R HN 0.323 nan 8.270 nan 0.000 0.546 391 T N -1.101 113.518 114.554 0.107 0.000 3.798 391 T HA 0.030 4.386 4.350 0.010 0.000 0.339 391 T C 1.049 175.927 174.700 0.296 0.000 0.967 391 T CA -0.282 61.917 62.100 0.164 0.000 1.046 391 T CB 0.822 69.748 68.868 0.096 0.000 1.092 391 T HN 0.277 nan 8.240 nan 0.000 0.465 392 T N 1.542 116.245 114.554 0.248 0.000 2.737 392 T HA -0.163 4.193 4.350 0.010 0.000 0.269 392 T C 2.215 176.973 174.700 0.096 0.000 1.040 392 T CA 2.015 64.213 62.100 0.163 0.000 1.142 392 T CB -0.710 68.197 68.868 0.065 0.000 0.861 392 T HN 0.832 nan 8.240 nan 0.000 0.456 393 S N 1.883 117.638 115.700 0.092 0.000 2.571 393 S HA -0.072 4.404 4.470 0.010 0.000 0.245 393 S C 1.998 176.644 174.600 0.077 0.000 0.976 393 S CA 0.911 59.149 58.200 0.063 0.000 0.954 393 S CB -0.972 62.259 63.200 0.051 0.000 0.756 393 S HN 0.823 nan 8.310 nan 0.000 0.535 394 S N 1.226 117.007 115.700 0.135 0.000 2.524 394 S HA 0.297 4.773 4.470 0.010 0.000 0.216 394 S C 0.907 175.582 174.600 0.125 0.000 0.987 394 S CA 0.099 58.387 58.200 0.146 0.000 0.909 394 S CB -0.874 62.451 63.200 0.209 0.000 0.781 394 S HN 0.666 nan 8.310 nan 0.000 0.521 395 L N 1.075 122.333 121.223 0.059 0.000 3.717 395 L HA -0.166 4.180 4.340 0.010 0.000 0.411 395 L C 1.566 178.425 176.870 -0.018 0.000 1.233 395 L CA 0.662 55.476 54.840 -0.043 0.000 0.917 395 L CB -2.534 39.517 42.059 -0.013 0.000 1.902 395 L HN 0.732 nan 8.230 nan 0.000 0.894 396 W N -0.010 121.300 121.300 0.018 0.000 2.392 396 W HA -0.110 4.556 4.660 0.010 0.000 0.279 396 W C 1.684 178.220 176.519 0.028 0.000 1.225 396 W CA 1.207 58.565 57.345 0.022 0.000 1.233 396 W CB -0.653 28.816 29.460 0.014 0.000 1.122 396 W HN 0.303 nan 8.180 nan 0.000 0.561 397 K N 1.115 121.054 120.400 -0.769 0.000 2.025 397 K HA -0.135 4.190 4.320 0.010 0.000 0.207 397 K C 1.525 177.977 176.600 -0.246 0.000 1.049 397 K CA 2.203 58.085 56.287 -0.675 0.000 0.933 397 K CB -0.357 31.609 32.500 -0.889 0.000 0.714 397 K HN 0.031 nan 8.250 nan 0.000 0.438 398 D N 0.882 121.161 120.400 -0.202 0.000 2.117 398 D HA -0.129 4.517 4.640 0.010 0.000 0.197 398 D C 1.736 178.023 176.300 -0.022 0.000 0.987 398 D CA 1.240 55.181 54.000 -0.097 0.000 0.829 398 D CB 0.034 40.786 40.800 -0.080 0.000 0.961 398 D HN 0.119 nan 8.370 nan 0.000 0.460 399 K N 0.579 120.991 120.400 0.019 0.000 2.002 399 K HA -0.064 4.261 4.320 0.010 0.000 0.209 399 K C 2.274 178.939 176.600 0.108 0.000 1.048 399 K CA 1.241 57.573 56.287 0.075 0.000 0.930 399 K CB -0.261 32.306 32.500 0.112 0.000 0.714 399 K HN 0.090 nan 8.250 nan 0.000 0.438 400 A N 1.604 124.510 122.820 0.144 0.000 1.908 400 A HA -0.153 4.172 4.320 0.010 0.000 0.218 400 A C 2.394 180.068 177.584 0.149 0.000 1.181 400 A CA 1.953 54.106 52.037 0.194 0.000 0.627 400 A CB -0.771 18.380 19.000 0.253 0.000 0.818 400 A HN 0.368 nan 8.150 nan 0.000 0.445 401 A N -0.517 122.346 122.820 0.072 0.000 1.883 401 A HA -0.064 4.262 4.320 0.010 0.000 0.217 401 A C 2.244 179.843 177.584 0.025 0.000 1.186 401 A CA 1.922 53.976 52.037 0.028 0.000 0.624 401 A CB -1.119 17.858 19.000 -0.039 0.000 0.822 401 A HN 0.431 nan 8.150 nan 0.000 0.444 402 V N 0.389 120.320 119.914 0.029 0.000 2.282 402 V HA -0.264 3.861 4.120 0.010 0.000 0.249 402 V C 2.629 178.755 176.094 0.054 0.000 1.057 402 V CA 2.344 64.665 62.300 0.036 0.000 1.032 402 V CB -0.733 31.120 31.823 0.049 0.000 0.645 402 V HN 0.544 nan 8.190 nan 0.000 0.447 403 E N -0.309 119.953 120.200 0.103 0.000 2.106 403 E HA -0.124 4.232 4.350 0.010 0.000 0.192 403 E C 2.125 178.763 176.600 0.063 0.000 0.984 403 E CA 1.183 57.674 56.400 0.151 0.000 0.806 403 E CB -0.296 29.521 29.700 0.195 0.000 0.750 403 E HN 0.588 nan 8.360 nan 0.000 0.458 404 I N 1.542 122.178 120.570 0.109 0.000 2.226 404 I HA -0.250 3.925 4.170 0.010 0.000 0.245 404 I C 2.136 178.222 176.117 -0.051 0.000 1.100 404 I CA 0.777 62.137 61.300 0.099 0.000 1.374 404 I CB -0.261 37.867 38.000 0.213 0.000 1.057 404 I HN 0.080 nan 8.210 nan 0.000 0.413 405 N N 0.730 119.399 118.700 -0.052 0.000 2.142 405 N HA -0.170 4.576 4.740 0.010 0.000 0.186 405 N C 1.901 177.346 175.510 -0.107 0.000 1.023 405 N CA 1.160 54.156 53.050 -0.091 0.000 0.852 405 N CB -0.224 38.221 38.487 -0.070 0.000 0.998 405 N HN 0.194 nan 8.380 nan 0.000 0.424 406 L N 1.523 122.681 121.223 -0.108 0.000 2.191 406 L HA -0.040 4.305 4.340 0.010 0.000 0.212 406 L C 2.100 178.803 176.870 -0.279 0.000 1.103 406 L CA 1.246 55.984 54.840 -0.168 0.000 0.769 406 L CB -0.738 41.207 42.059 -0.190 0.000 0.908 406 L HN 0.052 nan 8.230 nan 0.000 0.438 407 A N -1.433 121.173 122.820 -0.356 0.000 1.897 407 A HA -0.068 4.258 4.320 0.010 0.000 0.215 407 A C 2.233 179.713 177.584 -0.173 0.000 1.181 407 A CA 1.566 53.333 52.037 -0.450 0.000 0.620 407 A CB -0.893 17.538 19.000 -0.949 0.000 0.821 407 A HN 0.252 nan 8.150 nan 0.000 0.443 408 V N 0.261 120.097 119.914 -0.131 0.000 2.295 408 V HA -0.261 3.865 4.120 0.010 0.000 0.246 408 V C 2.575 178.642 176.094 -0.045 0.000 1.049 408 V CA 1.926 64.186 62.300 -0.068 0.000 1.024 408 V CB -0.792 30.892 31.823 -0.232 0.000 0.648 408 V HN 0.555 nan 8.190 nan 0.000 0.447 409 L N -0.641 120.521 121.223 -0.102 0.000 1.970 409 L HA -0.257 4.089 4.340 0.010 0.000 0.212 409 L C 2.619 179.499 176.870 0.017 0.000 1.071 409 L CA 2.380 57.179 54.840 -0.067 0.000 0.751 409 L CB -0.817 41.204 42.059 -0.064 0.000 0.889 409 L HN 0.452 nan 8.230 nan 0.000 0.432 410 H N -0.301 118.708 119.070 -0.102 0.000 2.289 410 H HA -0.181 4.381 4.556 0.010 0.000 0.296 410 H C 2.387 177.699 175.328 -0.027 0.000 1.091 410 H CA 2.157 58.145 56.048 -0.101 0.000 1.274 410 H CB 0.020 29.656 29.762 -0.210 0.000 1.364 410 H HN 0.189 nan 8.280 nan 0.000 0.490 411 S N -0.469 115.282 115.700 0.084 0.000 2.370 411 S HA -0.156 4.320 4.470 0.010 0.000 0.226 411 S C 2.014 176.639 174.600 0.040 0.000 1.033 411 S CA 1.414 59.652 58.200 0.063 0.000 1.011 411 S CB -0.502 62.781 63.200 0.139 0.000 0.852 411 S HN 0.387 nan 8.310 nan 0.000 0.457 412 F N 1.759 121.658 119.950 -0.085 0.000 2.146 412 F HA -0.110 4.422 4.527 0.009 0.000 0.298 412 F C 2.823 178.565 175.800 -0.098 0.000 1.096 412 F CA 0.967 58.928 58.000 -0.065 0.000 1.275 412 F CB -0.309 38.667 39.000 -0.039 0.000 1.008 412 F HN 0.187 nan 8.300 nan 0.000 0.480 413 Q N 0.012 119.846 119.800 0.058 0.000 2.020 413 Q HA -0.223 4.123 4.340 0.010 0.000 0.202 413 Q C 2.328 178.256 176.000 -0.120 0.000 0.982 413 Q CA 1.328 57.100 55.803 -0.051 0.000 0.838 413 Q CB -0.460 28.219 28.738 -0.098 0.000 0.899 413 Q HN 0.348 nan 8.270 nan 0.000 0.423 414 L N 0.492 121.586 121.223 -0.214 0.000 2.043 414 L HA -0.125 4.221 4.340 0.010 0.000 0.212 414 L C 1.496 178.286 176.870 -0.134 0.000 1.075 414 L CA 1.996 56.703 54.840 -0.222 0.000 0.752 414 L CB -0.881 40.989 42.059 -0.316 0.000 0.891 414 L HN 0.167 nan 8.230 nan 0.000 0.432 415 A N -0.335 122.411 122.820 -0.125 0.000 2.476 415 A HA 0.076 4.401 4.320 0.010 0.000 0.263 415 A C 0.724 178.247 177.584 -0.101 0.000 1.342 415 A CA -0.294 51.671 52.037 -0.120 0.000 0.926 415 A CB -0.354 18.544 19.000 -0.171 0.000 1.019 415 A HN 0.423 nan 8.150 nan 0.000 0.515 416 K N -0.862 119.491 120.400 -0.080 0.000 3.078 416 K HA -0.156 4.169 4.320 0.010 0.000 0.261 416 K C -0.458 176.110 176.600 -0.053 0.000 0.947 416 K CA 0.801 57.050 56.287 -0.063 0.000 0.702 416 K CB -2.343 30.121 32.500 -0.059 0.000 1.318 416 K HN 0.337 nan 8.250 nan 0.000 0.473 417 V N 0.842 120.736 119.914 -0.033 0.000 2.555 417 V HA 0.172 4.297 4.120 0.010 0.000 0.302 417 V C 0.754 176.913 176.094 0.108 0.000 1.038 417 V CA -0.772 61.537 62.300 0.015 0.000 0.887 417 V CB 2.087 33.866 31.823 -0.074 0.000 0.991 417 V HN 0.238 nan 8.190 nan 0.000 0.434 418 T N 5.863 120.444 114.554 0.046 0.000 2.902 418 T HA 0.429 4.785 4.350 0.010 0.000 0.301 418 T C -0.320 174.423 174.700 0.071 0.000 1.012 418 T CA 0.726 62.774 62.100 -0.086 0.000 1.151 418 T CB 0.094 68.774 68.868 -0.314 0.000 0.946 418 T HN 0.504 nan 8.240 nan 0.000 0.542 419 I N 3.063 123.609 120.570 -0.040 0.000 2.908 419 I HA 0.628 4.804 4.170 0.010 0.000 0.300 419 I C -1.599 174.513 176.117 -0.009 0.000 1.385 419 I CA -0.791 60.520 61.300 0.018 0.000 1.004 419 I CB 2.135 40.079 38.000 -0.093 0.000 1.309 419 I HN 0.438 nan 8.210 nan 0.000 0.449 420 V N 5.756 125.727 119.914 0.096 0.000 2.638 420 V HA 0.592 4.718 4.120 0.010 0.000 0.306 420 V C -1.262 174.866 176.094 0.056 0.000 1.052 420 V CA -0.314 62.049 62.300 0.106 0.000 0.885 420 V CB 2.019 34.001 31.823 0.265 0.000 0.999 420 V HN 0.923 nan 8.190 nan 0.000 0.424 421 D N 4.154 124.561 120.400 0.011 0.000 2.354 421 D HA 0.175 4.820 4.640 0.010 0.000 0.247 421 D C 1.304 177.576 176.300 -0.048 0.000 1.138 421 D CA 0.233 54.214 54.000 -0.032 0.000 0.958 421 D CB 0.466 41.206 40.800 -0.101 0.000 1.144 421 D HN 0.724 nan 8.370 nan 0.000 0.458 422 H N -0.212 118.771 119.070 -0.145 0.000 2.456 422 H HA -0.141 4.421 4.556 0.010 0.000 0.296 422 H C 0.965 176.202 175.328 -0.151 0.000 1.079 422 H CA 1.286 57.228 56.048 -0.177 0.000 1.322 422 H CB -0.530 29.074 29.762 -0.264 0.000 1.388 422 H HN 0.492 nan 8.280 nan 0.000 0.538 423 H N 1.530 120.390 119.070 -0.351 0.000 2.256 423 H HA 0.099 4.661 4.556 0.010 0.000 0.301 423 H C 2.646 177.949 175.328 -0.041 0.000 1.062 423 H CA 1.515 57.459 56.048 -0.173 0.000 1.283 423 H CB -0.648 28.978 29.762 -0.227 0.000 1.379 423 H HN 0.477 nan 8.280 nan 0.000 0.493 424 A N 1.504 124.380 122.820 0.094 0.000 1.917 424 A HA -0.184 4.142 4.320 0.010 0.000 0.219 424 A C 2.700 180.352 177.584 0.114 0.000 1.182 424 A CA 2.206 54.297 52.037 0.089 0.000 0.633 424 A CB -0.982 18.058 19.000 0.067 0.000 0.819 424 A HN 0.482 nan 8.150 nan 0.000 0.448 425 A N -0.263 122.621 122.820 0.107 0.000 1.851 425 A HA -0.154 4.172 4.320 0.010 0.000 0.216 425 A C 2.487 180.168 177.584 0.162 0.000 1.195 425 A CA 2.882 55.002 52.037 0.137 0.000 0.622 425 A CB -1.561 17.505 19.000 0.110 0.000 0.831 425 A HN 0.832 nan 8.150 nan 0.000 0.444 426 T N -2.673 111.964 114.554 0.138 0.000 2.867 426 T HA -0.070 4.286 4.350 0.010 0.000 0.268 426 T C 1.682 176.518 174.700 0.227 0.000 1.057 426 T CA 1.337 63.547 62.100 0.184 0.000 1.136 426 T CB -0.698 68.251 68.868 0.134 0.000 0.874 426 T HN 0.049 nan 8.240 nan 0.000 0.466 427 V N 2.797 122.817 119.914 0.175 0.000 2.343 427 V HA -0.176 3.949 4.120 0.010 0.000 0.247 427 V C 3.201 179.388 176.094 0.154 0.000 1.051 427 V CA 2.151 64.542 62.300 0.151 0.000 1.036 427 V CB -0.885 31.006 31.823 0.113 0.000 0.654 427 V HN 0.806 nan 8.190 nan 0.000 0.451 428 S N -0.400 115.400 115.700 0.168 0.000 2.402 428 S HA -0.209 4.267 4.470 0.010 0.000 0.229 428 S C 1.951 176.676 174.600 0.209 0.000 1.021 428 S CA 1.462 59.761 58.200 0.165 0.000 0.974 428 S CB -0.712 62.588 63.200 0.168 0.000 0.800 428 S HN 0.516 nan 8.310 nan 0.000 0.484 429 F N 2.336 122.354 119.950 0.113 0.000 2.186 429 F HA 0.103 4.635 4.527 0.009 0.000 0.299 429 F C 2.254 178.145 175.800 0.152 0.000 1.090 429 F CA 1.119 59.203 58.000 0.141 0.000 1.307 429 F CB -0.348 38.716 39.000 0.105 0.000 1.019 429 F HN 0.088 nan 8.300 nan 0.000 0.489 430 M N 0.086 119.755 119.600 0.115 0.000 2.159 430 M HA -0.188 4.297 4.480 0.010 0.000 0.263 430 M C 2.182 178.447 176.300 -0.058 0.000 1.063 430 M CA 1.486 56.793 55.300 0.012 0.000 1.110 430 M CB -1.208 31.452 32.600 0.099 0.000 1.374 430 M HN 0.076 nan 8.290 nan 0.000 0.411 431 K N -0.187 120.214 120.400 0.002 0.000 2.097 431 K HA -0.196 4.130 4.320 0.010 0.000 0.205 431 K C 1.936 178.511 176.600 -0.041 0.000 1.050 431 K CA 1.677 57.963 56.287 -0.002 0.000 0.938 431 K CB -0.614 31.912 32.500 0.044 0.000 0.718 431 K HN 0.391 nan 8.250 nan 0.000 0.442 432 H N -0.053 118.925 119.070 -0.153 0.000 2.389 432 H HA 0.038 4.599 4.556 0.010 0.000 0.299 432 H C 1.663 176.816 175.328 -0.291 0.000 1.081 432 H CA 1.976 57.905 56.048 -0.199 0.000 1.345 432 H CB -0.108 29.513 29.762 -0.235 0.000 1.393 432 H HN 0.167 nan 8.280 nan 0.000 0.520 433 L N -0.304 120.571 121.223 -0.579 0.000 2.046 433 L HA -0.138 4.207 4.340 0.010 0.000 0.208 433 L C 2.252 178.938 176.870 -0.307 0.000 1.077 433 L CA 1.810 56.347 54.840 -0.506 0.000 0.747 433 L CB -0.433 41.401 42.059 -0.374 0.000 0.896 433 L HN 0.363 nan 8.230 nan 0.000 0.432 434 D N -0.108 120.168 120.400 -0.207 0.000 2.117 434 D HA -0.180 4.466 4.640 0.010 0.000 0.197 434 D C 1.919 178.140 176.300 -0.132 0.000 0.987 434 D CA 1.084 55.007 54.000 -0.129 0.000 0.829 434 D CB 0.125 40.880 40.800 -0.076 0.000 0.961 434 D HN 0.147 nan 8.370 nan 0.000 0.460 435 N N 0.467 119.077 118.700 -0.150 0.000 2.120 435 N HA -0.122 4.624 4.740 0.010 0.000 0.188 435 N C 1.566 176.991 175.510 -0.142 0.000 1.024 435 N CA 0.832 53.818 53.050 -0.106 0.000 0.852 435 N CB -0.250 38.209 38.487 -0.047 0.000 1.003 435 N HN 0.323 nan 8.380 nan 0.000 0.424 436 E N 0.574 120.608 120.200 -0.277 0.000 2.208 436 E HA -0.138 4.218 4.350 0.010 0.000 0.193 436 E C 1.828 178.324 176.600 -0.173 0.000 0.988 436 E CA 0.434 56.675 56.400 -0.264 0.000 0.828 436 E CB -0.058 29.380 29.700 -0.437 0.000 0.763 436 E HN 0.324 nan 8.360 nan 0.000 0.478 437 Q N 1.693 121.398 119.800 -0.159 0.000 2.061 437 Q HA -0.143 4.202 4.340 0.010 0.000 0.204 437 Q C 1.800 177.750 176.000 -0.083 0.000 0.984 437 Q CA 1.788 57.528 55.803 -0.105 0.000 0.846 437 Q CB -0.020 28.665 28.738 -0.088 0.000 0.902 437 Q HN 0.120 nan 8.270 nan 0.000 0.421 438 K N -0.800 119.554 120.400 -0.076 0.000 2.097 438 K HA -0.020 4.305 4.320 0.010 0.000 0.205 438 K C 1.968 178.537 176.600 -0.051 0.000 1.050 438 K CA 1.125 57.379 56.287 -0.055 0.000 0.938 438 K CB -0.158 32.316 32.500 -0.043 0.000 0.718 438 K HN 0.262 nan 8.250 nan 0.000 0.442 439 A N 0.962 123.749 122.820 -0.055 0.000 1.935 439 A HA -0.009 4.316 4.320 0.010 0.000 0.214 439 A C 1.733 179.284 177.584 -0.055 0.000 1.178 439 A CA 0.895 52.908 52.037 -0.040 0.000 0.640 439 A CB 0.089 19.081 19.000 -0.014 0.000 0.825 439 A HN 0.136 nan 8.150 nan 0.000 0.447 440 R N -2.388 118.065 120.500 -0.078 0.000 2.531 440 R HA 0.258 4.604 4.340 0.010 0.000 0.316 440 R C 0.849 177.098 176.300 -0.085 0.000 0.955 440 R CA 0.536 56.590 56.100 -0.077 0.000 1.120 440 R CB 0.729 30.979 30.300 -0.083 0.000 1.361 440 R HN 0.661 nan 8.270 nan 0.000 0.534 441 G N 0.910 109.656 108.800 -0.090 0.000 2.136 441 G HA2 -0.185 3.781 3.960 0.010 0.000 0.242 441 G HA3 -0.185 3.781 3.960 0.010 0.000 0.242 441 G C 0.243 175.095 174.900 -0.080 0.000 0.989 441 G CA 0.067 45.104 45.100 -0.104 0.000 0.682 441 G HN 0.739 nan 8.290 nan 0.000 0.522 442 G N -2.362 106.404 108.800 -0.056 0.000 2.356 442 G HA2 0.540 4.506 3.960 0.010 0.000 0.288 442 G HA3 0.540 4.506 3.960 0.010 0.000 0.288 442 G C -0.813 174.083 174.900 -0.006 0.000 1.302 442 G CA 0.508 45.605 45.100 -0.004 0.000 0.887 442 G HN 2.000 nan 8.290 nan 0.000 0.521 443 C N 1.697 121.027 119.300 0.050 0.000 2.947 443 C HA 0.709 5.174 4.460 0.010 0.000 0.401 443 C C -2.597 172.368 174.990 -0.042 0.000 1.019 443 C CA -1.020 57.986 59.018 -0.021 0.000 1.230 443 C CB 1.447 29.105 27.740 -0.137 0.000 1.644 443 C HN 0.733 nan 8.230 nan 0.000 0.523 444 P HA 0.406 nan 4.420 nan 0.000 0.271 444 P C -0.655 176.535 177.300 -0.183 0.000 1.233 444 P CA 0.562 63.288 63.100 -0.625 0.000 0.764 444 P CB 1.028 32.128 31.700 -1.001 0.000 0.825 445 A N 2.991 125.776 122.820 -0.058 0.000 2.449 445 A HA 0.438 4.764 4.320 0.010 0.000 0.302 445 A C -0.927 176.708 177.584 0.085 0.000 1.048 445 A CA -0.576 51.513 52.037 0.087 0.000 0.708 445 A CB 1.341 20.508 19.000 0.277 0.000 1.274 445 A HN 0.449 nan 8.150 nan 0.000 0.410 446 D N 1.897 122.339 120.400 0.069 0.000 2.443 446 D HA 0.130 4.776 4.640 0.010 0.000 0.221 446 D C 0.722 177.152 176.300 0.217 0.000 1.097 446 D CA -0.466 53.610 54.000 0.127 0.000 0.865 446 D CB 0.437 41.256 40.800 0.032 0.000 1.034 446 D HN 0.609 nan 8.370 nan 0.000 0.511 447 W N 4.258 125.603 121.300 0.074 0.000 2.318 447 W HA -0.297 4.369 4.660 0.010 0.000 0.313 447 W C 2.014 178.574 176.519 0.067 0.000 1.221 447 W CA 2.454 59.831 57.345 0.052 0.000 1.266 447 W CB -0.034 29.433 29.460 0.012 0.000 1.150 447 W HN 0.567 nan 8.180 nan 0.000 0.496 448 A N -1.265 121.820 122.820 0.442 0.000 1.978 448 A HA -0.223 4.103 4.320 0.010 0.000 0.220 448 A C 1.524 179.159 177.584 0.085 0.000 1.170 448 A CA 1.715 53.925 52.037 0.287 0.000 0.636 448 A CB -1.330 17.875 19.000 0.341 0.000 0.810 448 A HN 0.545 nan 8.150 nan 0.000 0.448 449 W N -0.963 120.306 121.300 -0.053 0.000 2.812 449 W HA 0.183 4.849 4.660 0.009 0.000 0.263 449 W C 1.824 178.227 176.519 -0.195 0.000 1.284 449 W CA -0.043 57.247 57.345 -0.092 0.000 1.430 449 W CB 0.036 29.470 29.460 -0.043 0.000 1.088 449 W HN 0.152 nan 8.180 nan 0.000 0.623 450 I N -0.350 120.172 120.570 -0.080 0.000 2.333 450 I HA -0.058 4.117 4.170 0.010 0.000 0.246 450 I C 0.700 176.614 176.117 -0.339 0.000 1.106 450 I CA 0.720 61.851 61.300 -0.283 0.000 1.411 450 I CB -1.434 36.340 38.000 -0.376 0.000 1.082 450 I HN -0.430 nan 8.210 nan 0.000 0.420 451 V N 4.098 123.714 119.914 -0.497 0.000 2.529 451 V HA 0.062 4.188 4.120 0.010 0.000 0.292 451 V C -1.923 173.997 176.094 -0.289 0.000 1.028 451 V CA -1.015 61.003 62.300 -0.470 0.000 1.074 451 V CB 0.020 31.354 31.823 -0.814 0.000 0.958 451 V HN 0.142 nan 8.190 nan 0.000 0.481 452 P HA 0.119 nan 4.420 nan 0.000 0.269 452 P C -1.809 175.358 177.300 -0.223 0.000 1.209 452 P CA -1.180 61.797 63.100 -0.205 0.000 0.776 452 P CB 0.007 31.593 31.700 -0.190 0.000 0.876 453 P HA -0.030 nan 4.420 nan 0.000 0.234 453 P C 0.157 177.334 177.300 -0.205 0.000 1.167 453 P CA 1.179 64.152 63.100 -0.210 0.000 0.763 453 P CB -0.058 31.514 31.700 -0.213 0.000 0.835 454 I N -7.187 113.220 120.570 -0.272 0.000 2.894 454 I HA 0.437 4.613 4.170 0.010 0.000 0.302 454 I C -0.115 175.862 176.117 -0.235 0.000 1.188 454 I CA -1.274 59.879 61.300 -0.246 0.000 1.014 454 I CB 1.982 39.815 38.000 -0.279 0.000 1.242 454 I HN -0.417 nan 8.210 nan 0.000 0.430 455 S N 2.120 117.744 115.700 -0.127 0.000 3.533 455 S HA -0.200 4.276 4.470 0.010 0.000 0.347 455 S C 1.381 175.944 174.600 -0.061 0.000 1.101 455 S CA 0.885 59.056 58.200 -0.048 0.000 1.009 455 S CB -1.691 61.554 63.200 0.075 0.000 0.916 455 S HN 1.277 nan 8.310 nan 0.000 0.496 456 G N 2.353 111.088 108.800 -0.108 0.000 2.631 456 G HA2 -0.344 3.622 3.960 0.010 0.000 0.219 456 G HA3 -0.344 3.622 3.960 0.010 0.000 0.219 456 G C 1.458 176.213 174.900 -0.241 0.000 1.214 456 G CA 1.637 46.684 45.100 -0.088 0.000 0.785 456 G HN 1.313 nan 8.290 nan 0.000 0.596 457 S N 0.298 115.546 115.700 -0.753 0.000 2.547 457 S HA 0.164 4.640 4.470 0.010 0.000 0.235 457 S C 2.068 176.581 174.600 -0.146 0.000 0.980 457 S CA 0.665 58.250 58.200 -1.025 0.000 0.941 457 S CB -0.183 62.272 63.200 -1.241 0.000 0.763 457 S HN 0.326 nan 8.310 nan 0.000 0.532 458 L N 1.916 123.113 121.223 -0.043 0.000 2.554 458 L HA 0.138 4.484 4.340 0.010 0.000 0.226 458 L C 1.213 178.206 176.870 0.205 0.000 1.137 458 L CA 0.461 55.366 54.840 0.109 0.000 0.863 458 L CB -0.846 41.297 42.059 0.141 0.000 0.985 458 L HN 0.479 nan 8.230 nan 0.000 0.451 459 T N -4.186 110.484 114.554 0.192 0.000 2.929 459 T HA 0.301 4.656 4.350 0.010 0.000 0.284 459 T C -1.634 173.242 174.700 0.293 0.000 1.014 459 T CA -1.997 60.241 62.100 0.231 0.000 1.051 459 T CB 1.877 70.843 68.868 0.163 0.000 1.028 459 T HN -0.189 nan 8.240 nan 0.000 0.485 460 P HA -0.091 nan 4.420 nan 0.000 0.220 460 P C 1.828 179.342 177.300 0.358 0.000 1.148 460 P CA 1.069 64.372 63.100 0.338 0.000 0.803 460 P CB -0.345 31.494 31.700 0.232 0.000 0.782 461 V N -3.335 116.739 119.914 0.266 0.000 2.490 461 V HA -0.215 3.911 4.120 0.010 0.000 0.250 461 V C 2.401 178.622 176.094 0.212 0.000 1.061 461 V CA 1.365 63.798 62.300 0.221 0.000 1.064 461 V CB -2.332 29.547 31.823 0.094 0.000 0.670 461 V HN -0.102 nan 8.190 nan 0.000 0.461 462 F N 1.645 121.590 119.950 -0.009 0.000 2.202 462 F HA -0.172 4.361 4.527 0.009 0.000 0.301 462 F C 2.401 178.285 175.800 0.140 0.000 1.082 462 F CA 2.182 60.187 58.000 0.009 0.000 1.313 462 F CB -0.201 38.674 39.000 -0.209 0.000 1.024 462 F HN 0.292 nan 8.300 nan 0.000 0.495 463 H N -1.073 118.342 119.070 0.576 0.000 2.526 463 H HA 0.121 4.683 4.556 0.010 0.000 0.274 463 H C 0.200 175.783 175.328 0.426 0.000 0.999 463 H CA 0.154 56.492 56.048 0.483 0.000 1.157 463 H CB -0.105 29.909 29.762 0.421 0.000 1.407 463 H HN 0.250 nan 8.280 nan 0.000 0.568 464 Q N 2.006 122.085 119.800 0.466 0.000 2.347 464 Q HA 0.172 4.518 4.340 0.010 0.000 0.262 464 Q C -0.557 175.676 176.000 0.388 0.000 0.980 464 Q CA -0.452 55.577 55.803 0.377 0.000 0.867 464 Q CB 0.879 29.807 28.738 0.317 0.000 1.242 464 Q HN 0.232 nan 8.270 nan 0.000 0.453 465 E N 3.228 123.603 120.200 0.293 0.000 2.408 465 E HA 0.298 4.654 4.350 0.010 0.000 0.259 465 E C -0.454 176.280 176.600 0.224 0.000 1.110 465 E CA 0.221 56.743 56.400 0.204 0.000 0.929 465 E CB 0.830 30.632 29.700 0.169 0.000 0.971 465 E HN 0.598 nan 8.360 nan 0.000 0.438 466 M N 1.054 120.779 119.600 0.208 0.000 2.484 466 M HA 0.355 4.841 4.480 0.010 0.000 0.289 466 M C -1.325 175.078 176.300 0.172 0.000 1.206 466 M CA -0.933 54.502 55.300 0.225 0.000 0.892 466 M CB 2.476 35.272 32.600 0.326 0.000 1.712 466 M HN 0.153 nan 8.290 nan 0.000 0.462 467 V N 2.044 122.068 119.914 0.183 0.000 2.417 467 V HA 0.457 4.582 4.120 0.010 0.000 0.291 467 V C -0.574 175.637 176.094 0.194 0.000 1.024 467 V CA -0.739 61.693 62.300 0.220 0.000 0.861 467 V CB 1.652 33.654 31.823 0.298 0.000 0.985 467 V HN 0.757 nan 8.190 nan 0.000 0.436 468 N N 3.912 122.712 118.700 0.167 0.000 2.399 468 N HA 0.655 5.401 4.740 0.010 0.000 0.295 468 N C -1.179 174.420 175.510 0.148 0.000 1.048 468 N CA -0.264 52.807 53.050 0.036 0.000 0.886 468 N CB 1.625 40.138 38.487 0.043 0.000 1.185 468 N HN 0.682 nan 8.380 nan 0.000 0.487 469 Y N -0.208 120.112 120.300 0.033 0.000 2.713 469 Y HA 0.542 5.098 4.550 0.010 0.000 0.335 469 Y C -1.172 174.733 175.900 0.009 0.000 1.222 469 Y CA -1.175 56.939 58.100 0.024 0.000 1.061 469 Y CB 0.732 39.210 38.460 0.030 0.000 1.314 469 Y HN 0.210 nan 8.280 nan 0.000 0.453 470 I N 3.399 124.081 120.570 0.186 0.000 2.321 470 I HA 0.414 4.590 4.170 0.010 0.000 0.291 470 I C -0.763 175.433 176.117 0.131 0.000 0.998 470 I CA -0.485 60.866 61.300 0.084 0.000 1.227 470 I CB 1.054 39.087 38.000 0.053 0.000 1.368 470 I HN 0.419 nan 8.210 nan 0.000 0.466 471 L N 5.110 126.374 121.223 0.069 0.000 2.342 471 L HA 0.562 4.908 4.340 0.010 0.000 0.271 471 L C -0.119 176.761 176.870 0.017 0.000 1.008 471 L CA -0.504 54.382 54.840 0.076 0.000 0.818 471 L CB 2.130 44.235 42.059 0.076 0.000 1.296 471 L HN 0.503 nan 8.230 nan 0.000 0.427 472 S N 1.910 117.630 115.700 0.034 0.000 2.536 472 S HA 0.638 5.114 4.470 0.010 0.000 0.298 472 S C -2.536 172.099 174.600 0.058 0.000 1.083 472 S CA -1.416 56.791 58.200 0.013 0.000 0.995 472 S CB 1.938 65.156 63.200 0.030 0.000 1.058 472 S HN 0.240 nan 8.310 nan 0.000 0.488 473 P HA 0.318 nan 4.420 nan 0.000 0.272 473 P C -1.131 176.062 177.300 -0.178 0.000 1.225 473 P CA 0.222 63.250 63.100 -0.120 0.000 0.800 473 P CB 0.336 31.924 31.700 -0.186 0.000 0.894 474 A N 0.120 122.768 122.820 -0.287 0.000 2.586 474 A HA 0.636 4.961 4.320 0.010 0.000 0.291 474 A C -1.865 175.467 177.584 -0.420 0.000 1.062 474 A CA -0.497 51.371 52.037 -0.281 0.000 0.666 474 A CB 0.556 19.477 19.000 -0.132 0.000 1.281 474 A HN 0.294 nan 8.150 nan 0.000 0.421 475 F N 1.114 120.984 119.950 -0.133 0.000 2.402 475 F HA 0.605 5.137 4.527 0.009 0.000 0.355 475 F C 0.839 176.521 175.800 -0.196 0.000 1.123 475 F CA -0.102 57.819 58.000 -0.133 0.000 1.021 475 F CB 1.855 40.758 39.000 -0.161 0.000 1.160 475 F HN 0.515 nan 8.300 nan 0.000 0.451 476 R N 2.091 122.593 120.500 0.003 0.000 2.732 476 R HA 0.476 4.822 4.340 0.010 0.000 0.278 476 R C -1.306 174.959 176.300 -0.057 0.000 0.976 476 R CA -1.152 54.894 56.100 -0.089 0.000 0.963 476 R CB 1.553 31.836 30.300 -0.029 0.000 1.150 476 R HN 0.405 nan 8.270 nan 0.000 0.478 477 Y N 1.421 121.737 120.300 0.026 0.000 2.326 477 Y HA 0.092 4.648 4.550 0.010 0.000 0.333 477 Y C 0.653 176.545 175.900 -0.013 0.000 1.240 477 Y CA -0.002 58.103 58.100 0.008 0.000 1.365 477 Y CB 0.770 39.224 38.460 -0.010 0.000 1.289 477 Y HN 0.453 nan 8.280 nan 0.000 0.548 478 Q N 1.546 121.429 119.800 0.138 0.000 2.421 478 Q HA 0.631 4.977 4.340 0.010 0.000 0.280 478 Q C -3.113 172.846 176.000 -0.067 0.000 1.085 478 Q CA -2.540 53.276 55.803 0.022 0.000 0.807 478 Q CB 2.042 30.781 28.738 0.002 0.000 1.405 478 Q HN 0.276 nan 8.270 nan 0.000 0.419 479 P HA 0.024 nan 4.420 nan 0.000 0.267 479 P C -0.847 176.236 177.300 -0.361 0.000 1.200 479 P CA 0.059 63.033 63.100 -0.210 0.000 0.772 479 P CB 0.410 32.007 31.700 -0.173 0.000 0.855 480 D N 4.077 124.134 120.400 -0.572 0.000 2.472 480 D HA -0.037 4.609 4.640 0.010 0.000 0.237 480 D C -0.965 174.749 176.300 -0.977 0.000 1.141 480 D CA -0.647 52.727 54.000 -1.044 0.000 0.875 480 D CB 0.354 40.050 40.800 -1.841 0.000 1.192 480 D HN 0.301 nan 8.370 nan 0.000 0.450 481 P HA -0.135 nan 4.420 nan 0.000 0.216 481 P C 0.632 177.570 177.300 -0.603 0.000 1.150 481 P CA 1.106 63.778 63.100 -0.714 0.000 0.837 481 P CB 0.031 31.242 31.700 -0.815 0.000 0.786 482 W N 0.000 120.850 121.300 -0.750 0.000 2.388 482 W HA 0.000 4.666 4.660 0.009 0.000 0.303 482 W CA 0.000 57.088 57.345 -0.429 0.000 1.226 482 W CB 0.000 29.208 29.460 -0.420 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535