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 1dd8_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 K N 1.878 122.282 120.400 0.006 0.000 2.380 2 K HA 0.350 4.670 4.320 -0.000 0.000 0.267 2 K C -0.120 176.480 176.600 0.001 0.000 0.990 2 K CA 0.399 56.687 56.287 0.002 0.000 0.946 2 K CB 0.432 32.929 32.500 -0.005 0.000 0.937 2 K HN 0.286 nan 8.250 nan 0.000 0.491 3 R N 0.644 121.143 120.500 -0.002 0.000 2.486 3 R HA 0.468 4.808 4.340 -0.000 0.000 0.286 3 R C -0.837 175.455 176.300 -0.013 0.000 0.999 3 R CA -0.830 55.268 56.100 -0.003 0.000 0.993 3 R CB 1.215 31.514 30.300 -0.003 0.000 1.084 3 R HN 0.210 nan 8.270 nan 0.000 0.487 4 V N 3.647 123.550 119.914 -0.018 0.000 2.540 4 V HA 0.446 4.566 4.120 -0.000 0.000 0.302 4 V C -0.151 175.922 176.094 -0.035 0.000 1.035 4 V CA -0.736 61.544 62.300 -0.034 0.000 0.873 4 V CB 1.648 33.446 31.823 -0.042 0.000 0.992 4 V HN 0.606 nan 8.190 nan 0.000 0.428 5 V N 2.523 122.411 119.914 -0.043 0.000 3.074 5 V HA 0.691 4.811 4.120 -0.000 0.000 0.314 5 V C -0.611 175.458 176.094 -0.042 0.000 1.117 5 V CA -0.964 61.314 62.300 -0.037 0.000 1.014 5 V CB 2.357 34.159 31.823 -0.034 0.000 1.057 5 V HN 0.649 nan 8.190 nan 0.000 0.438 6 I N 2.404 122.964 120.570 -0.017 0.000 2.339 6 I HA 0.439 4.609 4.170 -0.000 0.000 0.290 6 I C 0.971 177.144 176.117 0.093 0.000 0.994 6 I CA -0.035 61.263 61.300 -0.004 0.000 1.191 6 I CB 2.129 40.112 38.000 -0.028 0.000 1.343 6 I HN 0.992 nan 8.210 nan 0.000 0.458 7 T N 0.718 115.317 114.554 0.075 0.000 3.084 7 T HA 0.465 4.814 4.350 -0.000 0.000 0.270 7 T C 0.347 175.192 174.700 0.241 0.000 1.008 7 T CA -0.393 61.788 62.100 0.134 0.000 0.900 7 T CB 0.430 69.320 68.868 0.038 0.000 1.084 7 T HN 0.757 nan 8.240 nan 0.000 0.538 8 G N 1.344 110.272 108.800 0.213 0.000 2.616 8 G HA2 0.536 4.496 3.960 -0.000 0.000 0.294 8 G HA3 0.536 4.496 3.960 -0.000 0.000 0.294 8 G C -2.122 172.772 174.900 -0.009 0.000 1.489 8 G CA -0.899 44.316 45.100 0.191 0.000 0.836 8 G HN 0.690 nan 8.290 nan 0.000 0.527 9 L N -1.246 119.950 121.223 -0.045 0.000 2.465 9 L HA 1.051 5.391 4.340 -0.000 0.000 0.257 9 L C -0.049 176.780 176.870 -0.067 0.000 0.988 9 L CA -0.860 53.904 54.840 -0.127 0.000 0.827 9 L CB 1.915 43.804 42.059 -0.284 0.000 1.397 9 L HN 1.239 nan 8.230 nan 0.000 0.410 10 G N 1.091 109.845 108.800 -0.077 0.000 2.682 10 G HA2 0.795 4.755 3.960 -0.000 0.000 0.300 10 G HA3 0.795 4.755 3.960 -0.000 0.000 0.300 10 G C -1.959 172.907 174.900 -0.057 0.000 1.391 10 G CA -0.691 44.377 45.100 -0.053 0.000 0.990 10 G HN 0.981 nan 8.290 nan 0.000 0.501 11 I N 0.878 121.428 120.570 -0.033 0.000 2.787 11 I HA 0.553 4.723 4.170 -0.000 0.000 0.294 11 I C -1.555 174.549 176.117 -0.022 0.000 1.365 11 I CA -0.870 60.408 61.300 -0.037 0.000 1.029 11 I CB 2.322 40.297 38.000 -0.040 0.000 1.313 11 I HN 0.344 nan 8.210 nan 0.000 0.431 12 V N 6.679 126.565 119.914 -0.047 0.000 2.445 12 V HA 0.554 4.674 4.120 -0.000 0.000 0.283 12 V C -0.301 175.701 176.094 -0.155 0.000 1.014 12 V CA -0.125 62.124 62.300 -0.084 0.000 0.852 12 V CB 1.425 33.199 31.823 -0.082 0.000 1.021 12 V HN 0.844 nan 8.190 nan 0.000 0.435 13 S N 2.425 118.064 115.700 -0.102 0.000 2.806 13 S HA 0.463 4.933 4.470 -0.000 0.000 0.306 13 S C 1.207 175.752 174.600 -0.093 0.000 1.167 13 S CA 0.098 58.240 58.200 -0.096 0.000 0.847 13 S CB 1.670 64.890 63.200 0.033 0.000 1.216 13 S HN 0.810 nan 8.310 nan 0.000 0.532 14 S N 0.388 116.043 115.700 -0.074 0.000 2.442 14 S HA -0.075 4.395 4.470 -0.000 0.000 0.236 14 S C 1.474 176.052 174.600 -0.036 0.000 1.007 14 S CA 1.065 59.225 58.200 -0.067 0.000 0.965 14 S CB -1.137 62.035 63.200 -0.048 0.000 0.773 14 S HN 0.979 nan 8.310 nan 0.000 0.504 15 I N -2.330 118.226 120.570 -0.024 0.000 3.941 15 I HA 0.663 4.833 4.170 -0.000 0.000 0.335 15 I C 0.580 176.684 176.117 -0.021 0.000 1.402 15 I CA -0.390 60.890 61.300 -0.032 0.000 1.112 15 I CB 0.152 38.108 38.000 -0.073 0.000 1.043 15 I HN 0.303 nan 8.210 nan 0.000 0.395 16 G N 1.075 109.868 108.800 -0.012 0.000 2.386 16 G HA2 0.057 4.017 3.960 -0.000 0.000 0.302 16 G HA3 0.057 4.017 3.960 -0.000 0.000 0.302 16 G C -0.869 174.026 174.900 -0.008 0.000 1.629 16 G CA -0.640 44.456 45.100 -0.005 0.000 0.917 16 G HN 0.005 nan 8.290 nan 0.000 0.676 17 N N 0.528 119.224 118.700 -0.006 0.000 2.270 17 N HA 0.104 4.844 4.740 -0.000 0.000 0.198 17 N C 0.467 175.982 175.510 0.008 0.000 1.117 17 N CA 0.477 53.524 53.050 -0.005 0.000 0.845 17 N CB 0.154 38.642 38.487 0.001 0.000 0.980 17 N HN 0.839 nan 8.380 nan 0.000 0.486 18 N N -1.265 117.443 118.700 0.013 0.000 3.116 18 N HA -0.015 4.725 4.740 -0.000 0.000 0.244 18 N C 0.268 175.795 175.510 0.029 0.000 1.485 18 N CA -0.489 52.572 53.050 0.020 0.000 0.884 18 N CB 0.931 39.431 38.487 0.021 0.000 1.415 18 N HN -0.180 nan 8.380 nan 0.000 0.524 19 Q N -0.229 119.593 119.800 0.037 0.000 2.226 19 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 19 Q C 1.006 177.032 176.000 0.044 0.000 0.975 19 Q CA 1.664 57.500 55.803 0.055 0.000 0.866 19 Q CB -0.212 28.569 28.738 0.072 0.000 0.915 19 Q HN 0.554 nan 8.270 nan 0.000 0.440 20 Q N 1.294 121.109 119.800 0.024 0.000 2.046 20 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 20 Q C 1.796 177.784 176.000 -0.021 0.000 0.975 20 Q CA 1.938 57.738 55.803 -0.005 0.000 0.836 20 Q CB 0.049 28.785 28.738 -0.003 0.000 0.896 20 Q HN 0.557 nan 8.270 nan 0.000 0.428 21 E N -0.345 119.850 120.200 -0.008 0.000 2.072 21 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 21 E C 1.997 178.586 176.600 -0.018 0.000 0.985 21 E CA 1.223 57.614 56.400 -0.016 0.000 0.801 21 E CB -0.025 29.671 29.700 -0.008 0.000 0.750 21 E HN 0.105 nan 8.360 nan 0.000 0.452 22 V N 1.524 121.443 119.914 0.009 0.000 2.343 22 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 22 V C 2.322 178.417 176.094 0.002 0.000 1.051 22 V CA 1.495 63.808 62.300 0.022 0.000 1.036 22 V CB -0.378 31.515 31.823 0.116 0.000 0.654 22 V HN 0.236 nan 8.190 nan 0.000 0.451 23 L N 0.846 122.071 121.223 0.004 0.000 2.046 23 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 23 L C 2.428 179.231 176.870 -0.111 0.000 1.077 23 L CA 2.457 57.282 54.840 -0.025 0.000 0.747 23 L CB -0.865 41.126 42.059 -0.113 0.000 0.896 23 L HN 0.214 nan 8.230 nan 0.000 0.432 24 A N -1.301 121.452 122.820 -0.112 0.000 1.877 24 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 24 A C 2.367 179.885 177.584 -0.110 0.000 1.186 24 A CA 1.997 53.957 52.037 -0.128 0.000 0.620 24 A CB -1.022 17.923 19.000 -0.093 0.000 0.822 24 A HN 0.548 nan 8.150 nan 0.000 0.443 25 S N 0.065 115.717 115.700 -0.081 0.000 2.359 25 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 25 S C 1.841 176.392 174.600 -0.081 0.000 1.035 25 S CA 1.545 59.699 58.200 -0.077 0.000 1.018 25 S CB -0.521 62.633 63.200 -0.076 0.000 0.876 25 S HN 0.502 nan 8.310 nan 0.000 0.448 26 L N 0.822 122.004 121.223 -0.069 0.000 2.046 26 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 26 L C 2.783 179.672 176.870 0.032 0.000 1.077 26 L CA 1.297 56.138 54.840 0.002 0.000 0.747 26 L CB -0.441 41.701 42.059 0.138 0.000 0.896 26 L HN 0.220 nan 8.230 nan 0.000 0.432 27 R N 0.048 120.455 120.500 -0.155 0.000 2.096 27 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 27 R C 1.953 178.161 176.300 -0.152 0.000 1.127 27 R CA 1.370 57.277 56.100 -0.322 0.000 0.968 27 R CB -0.089 29.906 30.300 -0.507 0.000 0.861 27 R HN 0.462 nan 8.270 nan 0.000 0.440 28 E N -1.069 119.063 120.200 -0.112 0.000 2.442 28 E HA 0.065 4.415 4.350 -0.000 0.000 0.195 28 E C 0.640 177.213 176.600 -0.046 0.000 1.030 28 E CA 0.346 56.701 56.400 -0.074 0.000 0.869 28 E CB 0.598 30.256 29.700 -0.070 0.000 0.857 28 E HN 0.475 nan 8.360 nan 0.000 0.505 29 G N 2.565 111.342 108.800 -0.038 0.000 2.221 29 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.265 29 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.265 29 G C 0.027 174.908 174.900 -0.033 0.000 1.041 29 G CA 0.214 45.297 45.100 -0.028 0.000 0.807 29 G HN 0.176 nan 8.290 nan 0.000 0.502 30 R N 0.464 120.938 120.500 -0.043 0.000 2.347 30 R HA 0.430 4.770 4.340 -0.000 0.000 0.304 30 R C 0.808 177.087 176.300 -0.035 0.000 1.072 30 R CA 0.415 56.494 56.100 -0.035 0.000 0.980 30 R CB 0.476 30.753 30.300 -0.040 0.000 0.986 30 R HN 0.284 nan 8.270 nan 0.000 0.448 31 S N 1.856 117.546 115.700 -0.018 0.000 2.565 31 S HA 0.254 4.724 4.470 -0.000 0.000 0.274 31 S C 0.927 175.529 174.600 0.002 0.000 1.309 31 S CA -0.302 57.893 58.200 -0.009 0.000 1.043 31 S CB 1.372 64.576 63.200 0.005 0.000 0.939 31 S HN 0.769 nan 8.310 nan 0.000 0.504 32 G N 3.816 112.619 108.800 0.005 0.000 3.277 32 G HA2 0.228 4.188 3.960 -0.000 0.000 0.243 32 G HA3 0.228 4.188 3.960 -0.000 0.000 0.243 32 G C 0.157 175.090 174.900 0.055 0.000 1.107 32 G CA -0.263 44.847 45.100 0.016 0.000 0.771 32 G HN 0.621 nan 8.290 nan 0.000 0.544 33 I N 2.634 123.249 120.570 0.076 0.000 2.474 33 I HA 0.366 4.536 4.170 -0.000 0.000 0.287 33 I C 0.664 176.880 176.117 0.163 0.000 1.048 33 I CA -0.217 61.162 61.300 0.131 0.000 1.383 33 I CB 0.419 38.488 38.000 0.114 0.000 1.412 33 I HN 0.080 nan 8.210 nan 0.000 0.531 34 T N 2.694 117.396 114.554 0.248 0.000 2.865 34 T HA 0.544 4.893 4.350 -0.000 0.000 0.294 34 T C -0.589 174.260 174.700 0.248 0.000 1.119 34 T CA -0.745 61.509 62.100 0.256 0.000 1.007 34 T CB 1.807 70.843 68.868 0.279 0.000 1.225 34 T HN 0.227 nan 8.240 nan 0.000 0.515 35 F N 1.629 121.622 119.950 0.072 0.000 2.443 35 F HA 0.579 5.106 4.527 -0.000 0.000 0.353 35 F C 0.419 176.124 175.800 -0.159 0.000 1.101 35 F CA -0.146 57.840 58.000 -0.023 0.000 1.226 35 F CB 1.004 40.002 39.000 -0.004 0.000 1.140 35 F HN 0.681 nan 8.300 nan 0.000 0.557 36 S N 4.808 119.713 115.700 -1.324 0.000 2.566 36 S HA 0.190 4.660 4.470 -0.000 0.000 0.324 36 S C 0.513 174.329 174.600 -1.306 0.000 1.081 36 S CA -0.670 56.696 58.200 -1.390 0.000 1.105 36 S CB 1.333 63.215 63.200 -2.197 0.000 0.981 36 S HN 0.879 nan 8.310 nan 0.000 0.464 37 Q N 3.410 122.789 119.800 -0.702 0.000 2.167 37 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 37 Q C 1.771 177.555 176.000 -0.359 0.000 0.970 37 Q CA 2.034 57.625 55.803 -0.354 0.000 0.855 37 Q CB -0.148 28.573 28.738 -0.029 0.000 0.911 37 Q HN 0.911 nan 8.270 nan 0.000 0.438 38 E N -0.545 119.432 120.200 -0.371 0.000 2.077 38 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 38 E C 1.777 178.218 176.600 -0.265 0.000 0.989 38 E CA 1.131 57.399 56.400 -0.219 0.000 0.800 38 E CB -0.133 29.552 29.700 -0.024 0.000 0.746 38 E HN 0.436 nan 8.360 nan 0.000 0.452 39 L N 0.656 121.614 121.223 -0.442 0.000 2.027 39 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 39 L C 2.860 179.578 176.870 -0.254 0.000 1.074 39 L CA 1.472 56.153 54.840 -0.265 0.000 0.745 39 L CB -0.560 41.310 42.059 -0.315 0.000 0.898 39 L HN 0.163 nan 8.230 nan 0.000 0.433 40 K N 0.441 120.556 120.400 -0.475 0.000 1.991 40 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 40 K C 1.717 178.109 176.600 -0.346 0.000 1.049 40 K CA 2.021 57.929 56.287 -0.630 0.000 0.932 40 K CB -0.050 32.010 32.500 -0.733 0.000 0.717 40 K HN 0.169 nan 8.250 nan 0.000 0.441 41 D N 0.260 120.486 120.400 -0.290 0.000 2.190 41 D HA -0.146 4.494 4.640 -0.000 0.000 0.200 41 D C 1.926 178.056 176.300 -0.284 0.000 0.992 41 D CA 1.618 55.477 54.000 -0.235 0.000 0.854 41 D CB -0.210 40.469 40.800 -0.201 0.000 0.936 41 D HN 0.394 nan 8.370 nan 0.000 0.462 42 S N -1.111 114.381 115.700 -0.346 0.000 2.481 42 S HA 0.118 4.588 4.470 -0.000 0.000 0.231 42 S C 1.774 176.202 174.600 -0.287 0.000 0.996 42 S CA 1.002 58.908 58.200 -0.490 0.000 0.942 42 S CB 0.253 63.106 63.200 -0.578 0.000 0.768 42 S HN 0.343 nan 8.310 nan 0.000 0.520 43 G N 0.451 109.153 108.800 -0.163 0.000 2.168 43 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.197 43 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.197 43 G C -0.024 174.881 174.900 0.009 0.000 0.997 43 G CA 0.002 45.058 45.100 -0.074 0.000 0.658 43 G HN 0.463 nan 8.290 nan 0.000 0.513 44 M N -0.407 119.219 119.600 0.043 0.000 2.202 44 M HA 0.443 4.923 4.480 -0.000 0.000 0.316 44 M C 1.828 178.224 176.300 0.160 0.000 1.138 44 M CA -0.090 55.269 55.300 0.098 0.000 1.151 44 M CB 0.602 33.270 32.600 0.113 0.000 1.422 44 M HN 0.140 nan 8.290 nan 0.000 0.471 45 R N -0.444 120.079 120.500 0.038 0.000 2.173 45 R HA 0.120 4.460 4.340 -0.000 0.000 0.208 45 R C 0.353 176.432 176.300 -0.368 0.000 1.035 45 R CA 0.209 56.245 56.100 -0.105 0.000 1.004 45 R CB 0.251 30.506 30.300 -0.075 0.000 0.917 45 R HN 0.520 nan 8.270 nan 0.000 0.462 46 S N 0.302 115.899 115.700 -0.172 0.000 2.452 46 S HA 0.149 4.619 4.470 -0.000 0.000 0.284 46 S C -0.140 174.416 174.600 -0.072 0.000 1.171 46 S CA -0.564 57.534 58.200 -0.170 0.000 1.064 46 S CB 0.351 63.511 63.200 -0.067 0.000 0.967 46 S HN 0.334 nan 8.310 nan 0.000 0.484 47 H N 2.466 121.472 119.070 -0.108 0.000 2.512 47 H HA 0.309 4.865 4.556 -0.000 0.000 0.276 47 H C -0.060 175.036 175.328 -0.386 0.000 1.126 47 H CA -0.582 55.285 56.048 -0.301 0.000 1.060 47 H CB 0.561 30.192 29.762 -0.218 0.000 1.646 47 H HN 0.429 nan 8.280 nan 0.000 0.571 48 V N -1.309 118.556 119.914 -0.082 0.000 2.715 48 V HA 0.605 4.725 4.120 -0.000 0.000 0.310 48 V C -1.100 175.067 176.094 0.123 0.000 1.054 48 V CA -0.921 61.373 62.300 -0.010 0.000 0.928 48 V CB 1.839 33.723 31.823 0.102 0.000 1.007 48 V HN 0.397 nan 8.190 nan 0.000 0.437 49 W N 1.466 122.775 121.300 0.015 0.000 3.146 49 W HA 0.811 5.471 4.660 -0.000 0.000 0.319 49 W C -0.299 176.237 176.519 0.028 0.000 1.258 49 W CA -1.766 55.592 57.345 0.021 0.000 1.189 49 W CB 0.957 30.424 29.460 0.012 0.000 1.412 49 W HN 0.994 nan 8.180 nan 0.000 0.567 50 G N 2.228 111.131 108.800 0.171 0.000 2.857 50 G HA2 0.384 4.344 3.960 -0.000 0.000 0.326 50 G HA3 0.384 4.344 3.960 -0.000 0.000 0.326 50 G C -0.420 174.361 174.900 -0.199 0.000 0.950 50 G CA -0.777 44.333 45.100 0.018 0.000 1.400 50 G HN 0.626 nan 8.290 nan 0.000 0.473 51 N N 0.042 118.553 118.700 -0.315 0.000 2.495 51 N HA 0.451 5.191 4.740 -0.000 0.000 0.280 51 N C -0.514 174.833 175.510 -0.272 0.000 1.168 51 N CA -0.893 51.856 53.050 -0.501 0.000 0.978 51 N CB 2.058 40.137 38.487 -0.680 0.000 1.191 51 N HN -0.006 nan 8.380 nan 0.000 0.497 52 V N 1.378 121.114 119.914 -0.297 0.000 2.432 52 V HA 0.088 4.208 4.120 -0.000 0.000 0.271 52 V C 0.151 176.173 176.094 -0.120 0.000 1.046 52 V CA -0.541 61.616 62.300 -0.239 0.000 0.945 52 V CB 0.686 32.258 31.823 -0.419 0.000 0.992 52 V HN 0.720 nan 8.190 nan 0.000 0.471 53 K N 6.345 126.703 120.400 -0.069 0.000 2.265 53 K HA 0.504 4.824 4.320 -0.000 0.000 0.242 53 K C -0.934 175.666 176.600 -0.001 0.000 1.137 53 K CA -0.353 55.925 56.287 -0.016 0.000 1.082 53 K CB 0.662 33.162 32.500 0.001 0.000 1.731 53 K HN 0.427 nan 8.250 nan 0.000 0.392 54 L N 0.507 121.738 121.223 0.013 0.000 2.549 54 L HA 0.320 4.660 4.340 -0.000 0.000 0.259 54 L C -1.878 175.024 176.870 0.054 0.000 0.934 54 L CA -0.448 54.411 54.840 0.032 0.000 0.865 54 L CB 2.284 44.362 42.059 0.033 0.000 1.352 54 L HN 0.181 nan 8.230 nan 0.000 0.410 55 D N 1.776 122.204 120.400 0.047 0.000 2.347 55 D HA 0.295 4.935 4.640 -0.000 0.000 0.235 55 D C 0.790 177.116 176.300 0.045 0.000 1.149 55 D CA 0.316 54.343 54.000 0.045 0.000 0.850 55 D CB 1.494 42.314 40.800 0.034 0.000 1.061 55 D HN 0.684 nan 8.370 nan 0.000 0.487 56 T N -0.049 114.535 114.554 0.050 0.000 3.169 56 T HA 0.049 4.399 4.350 -0.000 0.000 0.250 56 T C 0.764 175.465 174.700 0.000 0.000 1.111 56 T CA -0.297 61.826 62.100 0.038 0.000 1.010 56 T CB -0.418 68.476 68.868 0.043 0.000 0.984 56 T HN 0.214 nan 8.240 nan 0.000 0.537 57 T N 2.446 117.000 114.554 -0.000 0.000 2.853 57 T HA 0.433 4.783 4.350 -0.000 0.000 0.298 57 T C 1.543 176.231 174.700 -0.019 0.000 0.978 57 T CA 0.693 62.782 62.100 -0.017 0.000 1.152 57 T CB 0.259 69.122 68.868 -0.008 0.000 0.914 57 T HN 0.672 nan 8.240 nan 0.000 0.539 58 G N 2.722 111.499 108.800 -0.038 0.000 2.212 58 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.266 58 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.266 58 G C 0.900 175.783 174.900 -0.029 0.000 0.978 58 G CA 0.317 45.395 45.100 -0.036 0.000 0.632 58 G HN 0.683 nan 8.290 nan 0.000 0.537 59 L N -0.178 121.032 121.223 -0.022 0.000 2.376 59 L HA 0.327 4.667 4.340 -0.000 0.000 0.219 59 L C 1.199 178.061 176.870 -0.013 0.000 1.133 59 L CA 0.755 55.597 54.840 0.004 0.000 0.816 59 L CB -0.094 41.986 42.059 0.034 0.000 0.933 59 L HN 0.302 nan 8.230 nan 0.000 0.449 60 I N -0.825 119.687 120.570 -0.096 0.000 2.545 60 I HA 0.168 4.338 4.170 -0.000 0.000 0.292 60 I C -0.371 175.635 176.117 -0.186 0.000 1.040 60 I CA -0.969 60.208 61.300 -0.206 0.000 1.068 60 I CB 2.167 39.906 38.000 -0.435 0.000 1.251 60 I HN -0.187 nan 8.210 nan 0.000 0.424 61 D N 4.510 124.810 120.400 -0.167 0.000 2.583 61 D HA -0.040 4.600 4.640 -0.000 0.000 0.232 61 D C 1.321 177.525 176.300 -0.161 0.000 1.128 61 D CA 0.689 54.612 54.000 -0.129 0.000 0.859 61 D CB 0.945 41.684 40.800 -0.101 0.000 1.169 61 D HN 0.421 nan 8.370 nan 0.000 0.481 62 R N 2.776 123.195 120.500 -0.134 0.000 2.113 62 R HA -0.211 4.129 4.340 -0.000 0.000 0.244 62 R C 1.833 178.018 176.300 -0.193 0.000 1.142 62 R CA 1.824 57.830 56.100 -0.157 0.000 0.953 62 R CB -0.037 30.189 30.300 -0.123 0.000 0.860 62 R HN 0.495 nan 8.270 nan 0.000 0.438 63 K N -0.222 120.092 120.400 -0.143 0.000 2.288 63 K HA -0.041 4.279 4.320 -0.000 0.000 0.201 63 K C 1.849 178.401 176.600 -0.080 0.000 1.048 63 K CA 0.796 57.010 56.287 -0.121 0.000 0.956 63 K CB 0.273 32.744 32.500 -0.048 0.000 0.746 63 K HN 0.037 nan 8.250 nan 0.000 0.461 64 V N -0.042 119.804 119.914 -0.113 0.000 2.500 64 V HA -0.099 4.021 4.120 -0.000 0.000 0.243 64 V C 1.875 177.875 176.094 -0.156 0.000 1.039 64 V CA 0.917 63.160 62.300 -0.095 0.000 1.053 64 V CB 0.387 32.081 31.823 -0.215 0.000 0.695 64 V HN 0.085 nan 8.190 nan 0.000 0.463 65 V N 1.931 121.684 119.914 -0.269 0.000 2.970 65 V HA -0.176 3.944 4.120 -0.000 0.000 0.260 65 V C 2.669 178.557 176.094 -0.342 0.000 1.100 65 V CA 1.876 63.994 62.300 -0.304 0.000 1.122 65 V CB -0.555 31.090 31.823 -0.296 0.000 0.721 65 V HN 0.726 nan 8.190 nan 0.000 0.483 66 R N -0.787 119.430 120.500 -0.471 0.000 2.193 66 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 66 R C 1.757 177.516 176.300 -0.901 0.000 1.110 66 R CA 2.062 57.680 56.100 -0.804 0.000 0.988 66 R CB -0.731 28.860 30.300 -1.182 0.000 0.871 66 R HN 0.501 nan 8.270 nan 0.000 0.458 67 F N 0.606 120.304 119.950 -0.421 0.000 2.776 67 F HA 0.326 4.853 4.527 -0.000 0.000 0.300 67 F C 0.836 176.488 175.800 -0.247 0.000 1.116 67 F CA -0.376 57.477 58.000 -0.247 0.000 1.375 67 F CB 0.219 39.138 39.000 -0.135 0.000 1.109 67 F HN -0.108 nan 8.300 nan 0.000 0.585 68 M N -0.123 119.389 119.600 -0.146 0.000 2.409 68 M HA 0.336 4.816 4.480 -0.000 0.000 0.329 68 M C 0.367 176.489 176.300 -0.297 0.000 1.180 68 M CA -0.641 54.550 55.300 -0.183 0.000 1.053 68 M CB 1.559 34.054 32.600 -0.175 0.000 1.586 68 M HN -0.055 nan 8.290 nan 0.000 0.461 69 S N -0.505 115.063 115.700 -0.220 0.000 2.758 69 S HA 0.360 4.830 4.470 -0.000 0.000 0.292 69 S C 0.243 174.757 174.600 -0.143 0.000 1.131 69 S CA -0.816 57.292 58.200 -0.153 0.000 0.997 69 S CB 1.125 64.319 63.200 -0.010 0.000 1.111 69 S HN 0.662 nan 8.310 nan 0.000 0.552 70 D N 1.083 121.400 120.400 -0.139 0.000 2.149 70 D HA -0.030 4.610 4.640 -0.000 0.000 0.198 70 D C 2.184 178.160 176.300 -0.538 0.000 0.990 70 D CA 1.769 55.504 54.000 -0.442 0.000 0.839 70 D CB -0.894 39.632 40.800 -0.456 0.000 0.948 70 D HN 0.675 nan 8.370 nan 0.000 0.460 71 A N 0.513 123.218 122.820 -0.191 0.000 1.908 71 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 71 A C 2.440 180.019 177.584 -0.010 0.000 1.181 71 A CA 2.020 54.042 52.037 -0.025 0.000 0.627 71 A CB -0.567 18.456 19.000 0.039 0.000 0.818 71 A HN 0.186 nan 8.150 nan 0.000 0.445 72 S N -0.378 115.298 115.700 -0.041 0.000 2.368 72 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 72 S C 1.800 176.421 174.600 0.034 0.000 1.029 72 S CA 1.273 59.483 58.200 0.016 0.000 0.988 72 S CB -0.446 62.750 63.200 -0.008 0.000 0.838 72 S HN 0.542 nan 8.310 nan 0.000 0.462 73 I N 0.486 120.993 120.570 -0.106 0.000 2.179 73 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 73 I C 2.096 178.271 176.117 0.095 0.000 1.088 73 I CA 1.338 62.584 61.300 -0.091 0.000 1.357 73 I CB -0.430 37.422 38.000 -0.247 0.000 1.051 73 I HN 0.249 nan 8.210 nan 0.000 0.409 74 Y N 0.809 121.146 120.300 0.061 0.000 2.181 74 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 74 Y C 2.660 178.601 175.900 0.070 0.000 1.146 74 Y CA 0.821 58.952 58.100 0.051 0.000 1.164 74 Y CB -1.377 37.092 38.460 0.016 0.000 0.982 74 Y HN 0.137 nan 8.280 nan 0.000 0.515 75 A N -0.678 122.286 122.820 0.240 0.000 1.930 75 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 75 A C 2.221 179.902 177.584 0.162 0.000 1.175 75 A CA 1.214 53.341 52.037 0.151 0.000 0.627 75 A CB -1.316 17.753 19.000 0.114 0.000 0.815 75 A HN 0.456 nan 8.150 nan 0.000 0.443 76 F N 0.544 120.545 119.950 0.084 0.000 2.113 76 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 76 F C 1.891 177.769 175.800 0.130 0.000 1.103 76 F CA 1.645 59.729 58.000 0.140 0.000 1.248 76 F CB -0.118 38.946 39.000 0.108 0.000 0.999 76 F HN 0.131 nan 8.300 nan 0.000 0.475 77 L N -0.627 120.834 121.223 0.397 0.000 2.083 77 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 77 L C 2.448 179.372 176.870 0.090 0.000 1.083 77 L CA 1.319 56.313 54.840 0.258 0.000 0.752 77 L CB -0.841 41.358 42.059 0.233 0.000 0.899 77 L HN 0.092 nan 8.230 nan 0.000 0.433 78 S N -0.458 115.277 115.700 0.059 0.000 2.402 78 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 78 S C 1.902 176.440 174.600 -0.103 0.000 1.021 78 S CA 1.300 59.491 58.200 -0.014 0.000 0.974 78 S CB -0.153 63.042 63.200 -0.009 0.000 0.800 78 S HN 0.357 nan 8.310 nan 0.000 0.484 79 M N 1.510 120.992 119.600 -0.196 0.000 2.132 79 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 79 M C 1.970 177.986 176.300 -0.473 0.000 1.065 79 M CA 1.415 56.455 55.300 -0.434 0.000 1.122 79 M CB -0.132 32.029 32.600 -0.731 0.000 1.365 79 M HN 0.206 nan 8.290 nan 0.000 0.411 80 E N -0.147 119.858 120.200 -0.324 0.000 2.118 80 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 80 E C 2.036 178.572 176.600 -0.108 0.000 0.992 80 E CA 1.606 57.903 56.400 -0.171 0.000 0.804 80 E CB -0.144 29.546 29.700 -0.015 0.000 0.741 80 E HN 0.689 nan 8.360 nan 0.000 0.458 81 Q N -0.082 119.673 119.800 -0.075 0.000 2.079 81 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 81 Q C 2.199 178.174 176.000 -0.042 0.000 0.974 81 Q CA 1.174 56.956 55.803 -0.034 0.000 0.840 81 Q CB -0.092 28.637 28.738 -0.014 0.000 0.898 81 Q HN 0.209 nan 8.270 nan 0.000 0.430 82 A N 0.847 123.619 122.820 -0.080 0.000 1.933 82 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 82 A C 2.016 179.582 177.584 -0.031 0.000 1.175 82 A CA 1.060 53.069 52.037 -0.046 0.000 0.628 82 A CB -0.578 18.395 19.000 -0.045 0.000 0.814 82 A HN 0.292 nan 8.150 nan 0.000 0.444 83 I N -0.308 120.187 120.570 -0.126 0.000 2.179 83 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 83 I C 2.971 179.068 176.117 -0.032 0.000 1.088 83 I CA 1.125 62.344 61.300 -0.135 0.000 1.357 83 I CB -0.315 37.471 38.000 -0.357 0.000 1.051 83 I HN 0.356 nan 8.210 nan 0.000 0.409 84 A N 0.154 122.962 122.820 -0.019 0.000 1.898 84 A HA -0.281 4.039 4.320 -0.000 0.000 0.216 84 A C 1.991 179.597 177.584 0.036 0.000 1.181 84 A CA 2.230 54.279 52.037 0.020 0.000 0.620 84 A CB -0.683 18.330 19.000 0.021 0.000 0.819 84 A HN 0.435 nan 8.150 nan 0.000 0.442 85 D N -0.405 120.021 120.400 0.044 0.000 2.219 85 D HA 0.048 4.688 4.640 -0.000 0.000 0.205 85 D C 1.828 178.193 176.300 0.108 0.000 0.970 85 D CA 1.241 55.291 54.000 0.085 0.000 0.851 85 D CB -0.110 40.758 40.800 0.115 0.000 0.943 85 D HN 0.338 nan 8.370 nan 0.000 0.488 86 A N -0.674 122.198 122.820 0.085 0.000 2.123 86 A HA 0.385 4.705 4.320 -0.000 0.000 0.214 86 A C 1.861 179.487 177.584 0.071 0.000 1.152 86 A CA 1.053 53.141 52.037 0.086 0.000 0.728 86 A CB -0.467 18.565 19.000 0.054 0.000 0.814 86 A HN 0.442 nan 8.150 nan 0.000 0.464 87 G N -1.164 107.673 108.800 0.063 0.000 2.149 87 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.235 87 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.235 87 G C -0.068 174.878 174.900 0.076 0.000 1.018 87 G CA 0.261 45.396 45.100 0.059 0.000 0.728 87 G HN 0.432 nan 8.290 nan 0.000 0.508 88 L N 1.494 122.775 121.223 0.097 0.000 2.312 88 L HA 0.622 4.962 4.340 -0.000 0.000 0.281 88 L C 1.029 178.032 176.870 0.222 0.000 1.070 88 L CA -0.181 54.758 54.840 0.166 0.000 0.805 88 L CB 1.625 43.797 42.059 0.189 0.000 1.174 88 L HN 0.411 nan 8.230 nan 0.000 0.434 89 S N 1.592 117.424 115.700 0.220 0.000 2.638 89 S HA 0.511 4.981 4.470 -0.000 0.000 0.298 89 S C -2.124 172.574 174.600 0.163 0.000 1.111 89 S CA -1.494 56.813 58.200 0.178 0.000 1.027 89 S CB 1.850 65.103 63.200 0.087 0.000 1.064 89 S HN 0.326 nan 8.310 nan 0.000 0.525 90 P HA -0.239 nan 4.420 nan 0.000 0.217 90 P C 1.448 178.542 177.300 -0.344 0.000 1.158 90 P CA 1.655 64.567 63.100 -0.314 0.000 0.887 90 P CB -0.070 31.545 31.700 -0.142 0.000 0.792 91 E N -0.468 119.648 120.200 -0.140 0.000 2.333 91 E HA -0.125 4.225 4.350 -0.000 0.000 0.198 91 E C 1.703 178.263 176.600 -0.068 0.000 1.007 91 E CA 1.517 57.856 56.400 -0.102 0.000 0.845 91 E CB -0.954 28.717 29.700 -0.048 0.000 0.766 91 E HN 0.251 nan 8.360 nan 0.000 0.507 92 A N 0.729 123.537 122.820 -0.019 0.000 1.997 92 A HA 0.016 4.336 4.320 -0.000 0.000 0.212 92 A C 1.695 179.358 177.584 0.131 0.000 1.178 92 A CA 0.786 52.869 52.037 0.078 0.000 0.698 92 A CB -0.385 18.704 19.000 0.148 0.000 0.842 92 A HN 0.434 nan 8.150 nan 0.000 0.458 93 Y N -1.658 118.686 120.300 0.073 0.000 2.426 93 Y HA 0.457 5.007 4.550 -0.000 0.000 0.249 93 Y C 0.575 176.508 175.900 0.055 0.000 1.103 93 Y CA -0.668 57.491 58.100 0.099 0.000 1.256 93 Y CB -0.122 38.467 38.460 0.215 0.000 1.208 93 Y HN 0.150 nan 8.280 nan 0.000 0.519 94 Q N 1.986 121.454 119.800 -0.552 0.000 2.259 94 Q HA 0.202 4.542 4.340 -0.000 0.000 0.246 94 Q C -0.220 175.596 176.000 -0.306 0.000 0.920 94 Q CA -0.543 55.022 55.803 -0.398 0.000 0.895 94 Q CB 0.560 29.025 28.738 -0.454 0.000 1.220 94 Q HN 0.360 nan 8.270 nan 0.000 0.439 95 N N 1.989 120.409 118.700 -0.468 0.000 2.716 95 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 95 N C -1.107 174.167 175.510 -0.394 0.000 1.033 95 N CA 0.756 53.309 53.050 -0.827 0.000 0.727 95 N CB -1.009 37.213 38.487 -0.441 0.000 0.950 95 N HN 0.564 nan 8.380 nan 0.000 0.541 96 N N 0.491 119.068 118.700 -0.205 0.000 2.491 96 N HA 0.262 5.002 4.740 -0.000 0.000 0.274 96 N C -1.779 173.779 175.510 0.079 0.000 1.023 96 N CA -1.872 51.170 53.050 -0.013 0.000 0.902 96 N CB 1.450 39.943 38.487 0.010 0.000 1.267 96 N HN -0.121 nan 8.380 nan 0.000 0.503 97 P HA -0.054 nan 4.420 nan 0.000 0.231 97 P C 0.444 177.782 177.300 0.063 0.000 1.158 97 P CA 0.701 63.873 63.100 0.121 0.000 0.763 97 P CB 0.476 32.238 31.700 0.102 0.000 0.805 98 R N -0.470 120.053 120.500 0.038 0.000 2.334 98 R HA 0.228 4.568 4.340 -0.000 0.000 0.216 98 R C 0.199 176.478 176.300 -0.036 0.000 0.905 98 R CA -0.039 56.057 56.100 -0.006 0.000 1.064 98 R CB 0.303 30.591 30.300 -0.020 0.000 1.046 98 R HN 0.136 nan 8.270 nan 0.000 0.508 99 V N 0.474 120.395 119.914 0.012 0.000 2.409 99 V HA 0.628 4.748 4.120 -0.000 0.000 0.291 99 V C 0.476 176.607 176.094 0.061 0.000 1.020 99 V CA -0.730 61.580 62.300 0.017 0.000 0.848 99 V CB 1.669 33.559 31.823 0.112 0.000 0.990 99 V HN 0.286 nan 8.190 nan 0.000 0.430 100 G N 3.256 112.063 108.800 0.011 0.000 3.140 100 G HA2 0.831 4.791 3.960 -0.000 0.000 0.271 100 G HA3 0.831 4.791 3.960 -0.000 0.000 0.271 100 G C -1.726 173.213 174.900 0.064 0.000 1.370 100 G CA -0.769 44.345 45.100 0.024 0.000 1.014 100 G HN 0.699 nan 8.290 nan 0.000 0.541 101 L N -0.234 120.985 121.223 -0.007 0.000 2.516 101 L HA 0.689 5.029 4.340 -0.000 0.000 0.267 101 L C -1.571 175.217 176.870 -0.136 0.000 0.957 101 L CA -0.654 54.184 54.840 -0.002 0.000 0.860 101 L CB 1.679 43.764 42.059 0.043 0.000 1.265 101 L HN 0.428 nan 8.230 nan 0.000 0.403 102 I N 5.358 125.849 120.570 -0.133 0.000 2.476 102 I HA 0.761 4.931 4.170 -0.000 0.000 0.281 102 I C -0.455 175.633 176.117 -0.048 0.000 1.040 102 I CA -0.290 60.910 61.300 -0.167 0.000 1.094 102 I CB 1.742 39.610 38.000 -0.220 0.000 1.219 102 I HN 0.670 nan 8.210 nan 0.000 0.450 103 A N 4.295 127.112 122.820 -0.005 0.000 2.520 103 A HA 0.975 5.295 4.320 -0.000 0.000 0.298 103 A C -0.615 177.000 177.584 0.052 0.000 1.051 103 A CA -0.466 51.584 52.037 0.021 0.000 0.690 103 A CB 1.897 20.906 19.000 0.015 0.000 1.281 103 A HN 0.751 nan 8.150 nan 0.000 0.402 104 G N -0.260 108.574 108.800 0.056 0.000 2.788 104 G HA2 0.812 4.771 3.960 -0.000 0.000 0.293 104 G HA3 0.812 4.771 3.960 -0.000 0.000 0.293 104 G C -0.603 174.334 174.900 0.061 0.000 1.392 104 G CA 0.165 45.305 45.100 0.068 0.000 0.810 104 G HN 1.854 nan 8.290 nan 0.000 0.508 105 S N -1.915 113.823 115.700 0.064 0.000 2.627 105 S HA 0.673 5.143 4.470 -0.000 0.000 0.283 105 S C 0.941 175.578 174.600 0.062 0.000 1.127 105 S CA 0.207 58.443 58.200 0.059 0.000 0.863 105 S CB 1.619 64.855 63.200 0.061 0.000 1.121 105 S HN 1.492 nan 8.310 nan 0.000 0.479 106 G N -0.219 108.614 108.800 0.054 0.000 2.494 106 G HA2 0.338 4.298 3.960 -0.000 0.000 0.216 106 G HA3 0.338 4.298 3.960 -0.000 0.000 0.216 106 G C 0.850 175.796 174.900 0.077 0.000 1.140 106 G CA 0.353 45.490 45.100 0.061 0.000 0.801 106 G HN 1.184 nan 8.290 nan 0.000 0.536 107 G N -1.301 107.546 108.800 0.077 0.000 3.274 107 G HA2 0.457 4.417 3.960 -0.000 0.000 0.250 107 G HA3 0.457 4.417 3.960 -0.000 0.000 0.250 107 G C 1.053 175.994 174.900 0.070 0.000 1.024 107 G CA 0.809 45.958 45.100 0.083 0.000 0.840 107 G HN 1.071 nan 8.290 nan 0.000 0.522 108 G N 0.401 109.241 108.800 0.067 0.000 2.595 108 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.297 108 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.297 108 G C 0.394 175.338 174.900 0.074 0.000 1.181 108 G CA 0.787 45.927 45.100 0.067 0.000 0.963 108 G HN 1.465 nan 8.290 nan 0.000 0.541 109 S N 1.388 117.139 115.700 0.086 0.000 2.356 109 S HA 0.636 5.106 4.470 -0.000 0.000 0.171 109 S C -1.427 173.221 174.600 0.081 0.000 1.399 109 S CA 0.172 58.439 58.200 0.111 0.000 1.225 109 S CB 1.673 64.997 63.200 0.207 0.000 1.271 109 S HN 0.266 nan 8.310 nan 0.000 0.427 110 P HA -0.100 nan 4.420 nan 0.000 0.216 110 P C 1.541 178.782 177.300 -0.099 0.000 1.150 110 P CA 0.693 63.770 63.100 -0.037 0.000 0.837 110 P CB 0.126 31.784 31.700 -0.070 0.000 0.786 111 R N -0.818 119.592 120.500 -0.150 0.000 2.083 111 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 111 R C 1.761 177.863 176.300 -0.329 0.000 1.137 111 R CA 1.758 57.678 56.100 -0.300 0.000 0.951 111 R CB -0.921 29.152 30.300 -0.378 0.000 0.851 111 R HN 0.123 nan 8.270 nan 0.000 0.434 112 F N 0.599 120.565 119.950 0.026 0.000 2.615 112 F HA 0.047 4.574 4.527 -0.000 0.000 0.297 112 F C 2.458 178.349 175.800 0.152 0.000 1.124 112 F CA 0.351 58.415 58.000 0.108 0.000 1.451 112 F CB 0.140 39.164 39.000 0.041 0.000 1.103 112 F HN 0.049 nan 8.300 nan 0.000 0.569 113 Q N 0.065 119.976 119.800 0.184 0.000 2.016 113 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 113 Q C 2.604 178.657 176.000 0.089 0.000 0.978 113 Q CA 1.501 57.380 55.803 0.127 0.000 0.833 113 Q CB -0.861 27.916 28.738 0.066 0.000 0.895 113 Q HN 0.294 nan 8.270 nan 0.000 0.427 114 V N 1.264 121.199 119.914 0.034 0.000 2.343 114 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 114 V C 2.138 178.250 176.094 0.030 0.000 1.051 114 V CA 1.886 64.189 62.300 0.006 0.000 1.036 114 V CB -0.836 30.950 31.823 -0.061 0.000 0.654 114 V HN 0.261 nan 8.190 nan 0.000 0.451 115 F N 2.211 122.118 119.950 -0.072 0.000 2.126 115 F HA -0.094 4.433 4.527 -0.000 0.000 0.299 115 F C 2.137 177.957 175.800 0.035 0.000 1.096 115 F CA 1.872 59.847 58.000 -0.041 0.000 1.255 115 F CB -0.788 38.140 39.000 -0.121 0.000 0.997 115 F HN 0.125 nan 8.300 nan 0.000 0.479 116 G N -0.244 108.573 108.800 0.028 0.000 2.402 116 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 116 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 116 G C 1.800 176.622 174.900 -0.129 0.000 1.162 116 G CA 0.748 45.807 45.100 -0.068 0.000 0.777 116 G HN 0.637 nan 8.290 nan 0.000 0.539 117 A N 1.175 123.957 122.820 -0.063 0.000 1.877 117 A HA -0.042 4.277 4.320 -0.000 0.000 0.216 117 A C 2.102 179.633 177.584 -0.088 0.000 1.186 117 A CA 2.093 54.099 52.037 -0.052 0.000 0.620 117 A CB -0.427 18.564 19.000 -0.016 0.000 0.822 117 A HN 0.267 nan 8.150 nan 0.000 0.443 118 D N 0.153 120.483 120.400 -0.118 0.000 2.117 118 D HA -0.053 4.587 4.640 -0.000 0.000 0.197 118 D C 2.236 178.430 176.300 -0.177 0.000 0.987 118 D CA 1.556 55.485 54.000 -0.119 0.000 0.829 118 D CB -0.494 40.247 40.800 -0.098 0.000 0.961 118 D HN 0.416 nan 8.370 nan 0.000 0.460 119 A N 0.723 123.344 122.820 -0.332 0.000 1.902 119 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 119 A C 2.157 179.638 177.584 -0.172 0.000 1.181 119 A CA 1.776 53.618 52.037 -0.325 0.000 0.623 119 A CB -0.559 18.100 19.000 -0.569 0.000 0.818 119 A HN 0.166 nan 8.150 nan 0.000 0.443 120 M N -0.265 119.249 119.600 -0.144 0.000 2.213 120 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 120 M C 1.755 178.020 176.300 -0.057 0.000 1.062 120 M CA 1.582 56.835 55.300 -0.080 0.000 1.105 120 M CB -0.378 32.187 32.600 -0.059 0.000 1.385 120 M HN 0.349 nan 8.290 nan 0.000 0.417 121 R N -0.127 120.338 120.500 -0.059 0.000 2.299 121 R HA 0.259 4.599 4.340 -0.000 0.000 0.197 121 R C 1.146 177.425 176.300 -0.036 0.000 0.971 121 R CA 0.391 56.468 56.100 -0.039 0.000 1.030 121 R CB -0.423 29.859 30.300 -0.031 0.000 0.932 121 R HN 0.456 nan 8.270 nan 0.000 0.477 122 G N 0.961 109.732 108.800 -0.048 0.000 2.588 122 G HA2 0.121 4.081 3.960 -0.000 0.000 0.281 122 G HA3 0.121 4.081 3.960 -0.000 0.000 0.281 122 G C -1.460 173.424 174.900 -0.027 0.000 1.236 122 G CA -1.066 44.012 45.100 -0.037 0.000 0.969 122 G HN -0.043 nan 8.290 nan 0.000 0.504 123 P HA -0.035 nan 4.420 nan 0.000 0.226 123 P C 1.119 178.411 177.300 -0.013 0.000 1.153 123 P CA 0.653 63.745 63.100 -0.013 0.000 0.777 123 P CB 0.367 32.062 31.700 -0.008 0.000 0.794 124 R N -0.742 119.748 120.500 -0.017 0.000 2.280 124 R HA 0.184 4.524 4.340 -0.000 0.000 0.195 124 R C 1.676 177.965 176.300 -0.019 0.000 0.935 124 R CA 0.709 56.801 56.100 -0.013 0.000 1.033 124 R CB -0.386 29.909 30.300 -0.008 0.000 0.964 124 R HN 0.195 nan 8.270 nan 0.000 0.489 125 G N 2.041 110.824 108.800 -0.028 0.000 2.634 125 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.309 125 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.309 125 G C 0.886 175.767 174.900 -0.032 0.000 1.265 125 G CA 0.440 45.522 45.100 -0.030 0.000 0.998 125 G HN 0.241 nan 8.290 nan 0.000 0.551 126 L N 0.405 121.615 121.223 -0.022 0.000 2.127 126 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 126 L C 2.997 179.859 176.870 -0.013 0.000 1.089 126 L CA 2.238 57.067 54.840 -0.018 0.000 0.757 126 L CB -0.473 41.577 42.059 -0.015 0.000 0.899 126 L HN 0.550 nan 8.230 nan 0.000 0.434 127 K N -0.110 120.283 120.400 -0.010 0.000 2.148 127 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 127 K C 2.172 178.780 176.600 0.013 0.000 1.050 127 K CA 1.259 57.546 56.287 -0.001 0.000 0.942 127 K CB -0.194 32.306 32.500 -0.000 0.000 0.724 127 K HN 0.293 nan 8.250 nan 0.000 0.446 128 A N 0.686 123.507 122.820 0.002 0.000 1.970 128 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 128 A C 2.264 179.864 177.584 0.026 0.000 1.170 128 A CA 0.809 52.852 52.037 0.009 0.000 0.645 128 A CB -0.299 18.677 19.000 -0.041 0.000 0.816 128 A HN 0.040 nan 8.150 nan 0.000 0.447 129 V N -0.420 119.491 119.914 -0.005 0.000 2.270 129 V HA 0.203 4.323 4.120 -0.000 0.000 0.245 129 V C 1.632 177.825 176.094 0.166 0.000 1.043 129 V CA 1.210 63.536 62.300 0.044 0.000 1.014 129 V CB -1.918 29.910 31.823 0.010 0.000 0.645 129 V HN 1.234 nan 8.190 nan 0.000 0.447 130 G N 0.441 109.280 108.800 0.065 0.000 2.781 130 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.683 130 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.683 130 G C -1.636 173.199 174.900 -0.108 0.000 1.390 130 G CA -0.099 45.001 45.100 -0.000 0.000 0.850 130 G HN 0.317 nan 8.290 nan 0.000 0.557 131 P HA 0.188 nan 4.420 nan 0.000 0.257 131 P C 0.280 177.263 177.300 -0.528 0.000 1.281 131 P CA 0.810 63.639 63.100 -0.453 0.000 0.826 131 P CB 0.013 31.382 31.700 -0.551 0.000 1.237 132 Y N -1.601 118.686 120.300 -0.022 0.000 2.481 132 Y HA 0.112 4.662 4.550 -0.000 0.000 0.247 132 Y C 2.254 178.132 175.900 -0.037 0.000 1.151 132 Y CA -0.240 57.824 58.100 -0.060 0.000 1.238 132 Y CB -0.510 37.804 38.460 -0.244 0.000 1.179 132 Y HN -0.285 nan 8.280 nan 0.000 0.524 133 V N -1.118 118.871 119.914 0.125 0.000 2.515 133 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 133 V C 2.151 178.311 176.094 0.110 0.000 1.058 133 V CA 1.499 63.882 62.300 0.139 0.000 1.064 133 V CB -0.733 31.244 31.823 0.256 0.000 0.675 133 V HN 0.234 nan 8.190 nan 0.000 0.461 134 V N 1.262 121.238 119.914 0.103 0.000 2.252 134 V HA -0.311 3.809 4.120 -0.000 0.000 0.249 134 V C 2.827 178.972 176.094 0.084 0.000 1.056 134 V CA 2.811 65.164 62.300 0.089 0.000 1.022 134 V CB -1.246 30.621 31.823 0.074 0.000 0.641 134 V HN 0.832 nan 8.190 nan 0.000 0.445 135 T N -2.268 112.354 114.554 0.114 0.000 2.962 135 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 135 T C 1.720 176.444 174.700 0.040 0.000 1.088 135 T CA 1.267 63.422 62.100 0.091 0.000 1.127 135 T CB -0.236 68.726 68.868 0.157 0.000 0.883 135 T HN 0.480 nan 8.240 nan 0.000 0.493 136 K N 1.061 121.457 120.400 -0.006 0.000 2.098 136 K HA 0.330 4.650 4.320 -0.000 0.000 0.203 136 K C 2.654 179.267 176.600 0.021 0.000 1.051 136 K CA 0.990 57.210 56.287 -0.110 0.000 0.957 136 K CB -0.161 32.076 32.500 -0.439 0.000 0.738 136 K HN 0.410 nan 8.250 nan 0.000 0.447 137 A N 1.799 124.667 122.820 0.079 0.000 2.030 137 A HA 0.085 4.405 4.320 -0.000 0.000 0.215 137 A C 1.205 178.839 177.584 0.083 0.000 1.164 137 A CA -0.108 51.998 52.037 0.117 0.000 0.697 137 A CB -0.406 18.684 19.000 0.149 0.000 0.827 137 A HN 0.339 nan 8.150 nan 0.000 0.457 138 M N -1.302 118.338 119.600 0.066 0.000 2.249 138 M HA 0.439 4.919 4.480 -0.000 0.000 0.340 138 M C 0.928 177.260 176.300 0.054 0.000 1.166 138 M CA 0.454 55.787 55.300 0.056 0.000 1.115 138 M CB 0.471 33.100 32.600 0.047 0.000 1.606 138 M HN 0.084 nan 8.290 nan 0.000 0.448 139 A N 2.541 125.393 122.820 0.052 0.000 2.032 139 A HA -0.127 4.193 4.320 -0.000 0.000 0.221 139 A C 1.986 179.604 177.584 0.058 0.000 1.165 139 A CA 2.037 54.107 52.037 0.054 0.000 0.645 139 A CB -0.927 18.103 19.000 0.050 0.000 0.807 139 A HN 1.023 nan 8.150 nan 0.000 0.453 140 S N -1.235 114.498 115.700 0.056 0.000 2.614 140 S HA 0.341 4.811 4.470 -0.000 0.000 0.230 140 S C 1.573 176.206 174.600 0.054 0.000 0.952 140 S CA 0.535 58.772 58.200 0.063 0.000 0.949 140 S CB -0.169 63.071 63.200 0.067 0.000 0.786 140 S HN 0.565 nan 8.310 nan 0.000 0.478 141 G N 2.156 110.985 108.800 0.047 0.000 2.469 141 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 141 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 141 G C 1.280 176.205 174.900 0.041 0.000 1.150 141 G CA 1.232 46.354 45.100 0.037 0.000 0.763 141 G HN 0.479 nan 8.290 nan 0.000 0.561 142 V N 1.731 121.675 119.914 0.051 0.000 2.332 142 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 142 V C 3.243 179.377 176.094 0.066 0.000 1.055 142 V CA 2.484 64.821 62.300 0.060 0.000 1.038 142 V CB -0.463 31.397 31.823 0.061 0.000 0.651 142 V HN 0.637 nan 8.190 nan 0.000 0.450 143 S N 0.598 116.335 115.700 0.060 0.000 2.388 143 S HA 0.023 4.493 4.470 -0.000 0.000 0.223 143 S C 2.123 176.756 174.600 0.055 0.000 1.034 143 S CA 0.932 59.165 58.200 0.055 0.000 0.963 143 S CB -0.371 62.861 63.200 0.054 0.000 0.827 143 S HN 0.522 nan 8.310 nan 0.000 0.481 144 A N 0.918 123.765 122.820 0.044 0.000 1.902 144 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 144 A C 2.354 179.942 177.584 0.005 0.000 1.181 144 A CA 1.548 53.596 52.037 0.018 0.000 0.623 144 A CB -1.455 17.545 19.000 -0.000 0.000 0.818 144 A HN 0.695 nan 8.150 nan 0.000 0.443 145 C N -1.342 117.973 119.300 0.025 0.000 2.481 145 C HA 0.158 4.618 4.460 -0.000 0.000 0.275 145 C C 2.301 177.366 174.990 0.125 0.000 1.419 145 C CA 0.600 59.638 59.018 0.032 0.000 1.773 145 C CB -1.151 26.609 27.740 0.034 0.000 1.862 145 C HN 0.529 nan 8.230 nan 0.000 0.530 146 L N 0.608 121.931 121.223 0.167 0.000 2.316 146 L HA 0.241 4.581 4.340 -0.000 0.000 0.207 146 L C 2.636 179.668 176.870 0.270 0.000 1.070 146 L CA 1.541 56.556 54.840 0.292 0.000 0.820 146 L CB -1.092 41.102 42.059 0.225 0.000 0.992 146 L HN 0.182 nan 8.230 nan 0.000 0.466 147 A N -0.998 121.911 122.820 0.148 0.000 1.972 147 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 147 A C 2.297 179.957 177.584 0.126 0.000 1.169 147 A CA 2.293 54.408 52.037 0.131 0.000 0.635 147 A CB -0.869 18.181 19.000 0.084 0.000 0.810 147 A HN 0.405 nan 8.150 nan 0.000 0.446 148 T N 0.378 114.976 114.554 0.073 0.000 2.732 148 T HA -0.041 4.309 4.350 -0.000 0.000 0.261 148 T C -0.048 174.665 174.700 0.021 0.000 1.040 148 T CA 1.674 63.790 62.100 0.027 0.000 1.145 148 T CB -1.130 67.707 68.868 -0.053 0.000 0.866 148 T HN 0.403 nan 8.240 nan 0.000 0.427 149 P HA 0.041 nan 4.420 nan 0.000 0.217 149 P C 0.792 177.997 177.300 -0.159 0.000 1.150 149 P CA 0.897 63.934 63.100 -0.105 0.000 0.832 149 P CB -0.184 31.435 31.700 -0.135 0.000 0.787 150 F N -0.355 119.623 119.950 0.046 0.000 2.811 150 F HA 0.103 4.630 4.527 -0.000 0.000 0.301 150 F C 0.720 176.550 175.800 0.051 0.000 1.151 150 F CA 0.079 58.103 58.000 0.041 0.000 1.412 150 F CB -0.346 38.618 39.000 -0.060 0.000 1.113 150 F HN -0.248 nan 8.300 nan 0.000 0.579 151 K N 0.465 120.956 120.400 0.152 0.000 3.096 151 K HA -0.199 4.121 4.320 -0.000 0.000 0.266 151 K C -0.440 176.208 176.600 0.081 0.000 1.043 151 K CA 0.341 56.673 56.287 0.075 0.000 0.758 151 K CB -2.351 30.123 32.500 -0.043 0.000 1.260 151 K HN 0.209 nan 8.250 nan 0.000 0.481 152 I N 1.302 121.980 120.570 0.180 0.000 2.471 152 I HA 0.035 4.205 4.170 -0.000 0.000 0.286 152 I C 1.944 178.238 176.117 0.294 0.000 1.079 152 I CA 0.292 61.711 61.300 0.197 0.000 1.398 152 I CB 0.329 38.435 38.000 0.177 0.000 1.403 152 I HN 0.248 nan 8.210 nan 0.000 0.530 153 H N 3.370 122.481 119.070 0.068 0.000 2.740 153 H HA 0.167 4.723 4.556 -0.000 0.000 0.265 153 H C 1.390 176.738 175.328 0.033 0.000 0.978 153 H CA -0.006 56.068 56.048 0.042 0.000 1.198 153 H CB 1.324 31.106 29.762 0.034 0.000 1.467 153 H HN 0.769 nan 8.280 nan 0.000 0.511 154 G N 1.135 110.024 108.800 0.148 0.000 2.624 154 G HA2 0.208 4.168 3.960 -0.000 0.000 0.217 154 G HA3 0.208 4.168 3.960 -0.000 0.000 0.217 154 G C 0.224 175.145 174.900 0.036 0.000 1.506 154 G CA 0.077 45.219 45.100 0.071 0.000 1.072 154 G HN 0.124 nan 8.290 nan 0.000 0.568 155 V N -0.917 118.989 119.914 -0.013 0.000 2.963 155 V HA 0.477 4.597 4.120 -0.000 0.000 0.306 155 V C -0.199 175.824 176.094 -0.118 0.000 1.077 155 V CA -0.332 61.929 62.300 -0.064 0.000 1.124 155 V CB 1.228 32.949 31.823 -0.171 0.000 0.987 155 V HN 0.767 nan 8.190 nan 0.000 0.487 156 N N 2.921 121.552 118.700 -0.114 0.000 2.699 156 N HA 0.478 5.218 4.740 -0.000 0.000 0.271 156 N C -1.229 174.298 175.510 0.028 0.000 1.216 156 N CA -0.578 52.426 53.050 -0.077 0.000 0.844 156 N CB 1.156 39.656 38.487 0.021 0.000 1.462 156 N HN 1.032 nan 8.380 nan 0.000 0.555 157 Y N -1.051 119.268 120.300 0.031 0.000 2.741 157 Y HA 0.675 5.225 4.550 -0.000 0.000 0.339 157 Y C -1.287 174.630 175.900 0.028 0.000 1.226 157 Y CA -1.150 56.965 58.100 0.026 0.000 1.072 157 Y CB 0.556 39.028 38.460 0.020 0.000 1.331 157 Y HN 0.116 nan 8.280 nan 0.000 0.453 158 S N 1.752 117.639 115.700 0.312 0.000 2.501 158 S HA 0.692 5.162 4.470 -0.000 0.000 0.301 158 S C -0.812 173.921 174.600 0.221 0.000 1.096 158 S CA -0.724 57.599 58.200 0.205 0.000 1.063 158 S CB 1.073 64.347 63.200 0.124 0.000 1.042 158 S HN 0.520 nan 8.310 nan 0.000 0.494 159 I N 1.877 122.557 120.570 0.183 0.000 2.441 159 I HA 0.466 4.636 4.170 -0.000 0.000 0.295 159 I C -0.089 176.094 176.117 0.111 0.000 0.994 159 I CA -0.315 61.071 61.300 0.143 0.000 1.144 159 I CB 1.989 40.088 38.000 0.164 0.000 1.314 159 I HN 0.470 nan 8.210 nan 0.000 0.445 160 S N 3.020 118.771 115.700 0.086 0.000 2.557 160 S HA 0.602 5.072 4.470 -0.000 0.000 0.291 160 S C -0.371 174.284 174.600 0.093 0.000 1.116 160 S CA -0.419 57.834 58.200 0.089 0.000 0.992 160 S CB 1.122 64.365 63.200 0.073 0.000 1.028 160 S HN 0.683 nan 8.310 nan 0.000 0.484 161 S N 2.679 118.457 115.700 0.129 0.000 2.589 161 S HA 0.607 5.077 4.470 -0.000 0.000 0.210 161 S C 0.555 175.250 174.600 0.158 0.000 0.803 161 S CA 0.078 58.372 58.200 0.156 0.000 1.061 161 S CB -0.250 63.096 63.200 0.244 0.000 1.637 161 S HN 1.913 nan 8.310 nan 0.000 0.462 162 A N 0.839 123.728 122.820 0.115 0.000 5.391 162 A HA -0.346 3.974 4.320 -0.000 0.000 0.315 162 A C 1.760 179.372 177.584 0.046 0.000 1.874 162 A CA 1.329 53.410 52.037 0.073 0.000 0.714 162 A CB -2.284 16.772 19.000 0.093 0.000 1.335 162 A HN 1.496 nan 8.150 nan 0.000 0.382 163 C N 0.150 119.471 119.300 0.037 0.000 2.422 163 C HA 0.299 4.759 4.460 -0.000 0.000 0.286 163 C C 2.891 177.925 174.990 0.073 0.000 1.412 163 C CA 1.382 60.461 59.018 0.102 0.000 1.786 163 C CB -1.883 26.000 27.740 0.238 0.000 1.835 163 C HN 1.400 nan 8.230 nan 0.000 0.533 164 A N 0.192 123.050 122.820 0.063 0.000 2.238 164 A HA 0.105 4.425 4.320 -0.000 0.000 0.210 164 A C 1.914 179.520 177.584 0.037 0.000 1.179 164 A CA 1.070 53.103 52.037 -0.006 0.000 0.827 164 A CB -0.673 18.325 19.000 -0.005 0.000 0.856 164 A HN 0.473 nan 8.150 nan 0.000 0.488 165 T N 1.518 116.139 114.554 0.111 0.000 2.527 165 T HA -0.296 4.054 4.350 -0.000 0.000 0.258 165 T C 2.181 176.932 174.700 0.086 0.000 1.175 165 T CA 2.804 64.979 62.100 0.126 0.000 1.168 165 T CB -0.636 68.282 68.868 0.084 0.000 0.860 165 T HN 0.824 nan 8.240 nan 0.000 0.429 166 S N 1.343 117.057 115.700 0.023 0.000 2.515 166 S HA 0.272 4.742 4.470 -0.000 0.000 0.231 166 S C 2.185 176.754 174.600 -0.052 0.000 0.987 166 S CA 0.680 58.873 58.200 -0.011 0.000 0.936 166 S CB -0.333 62.848 63.200 -0.032 0.000 0.766 166 S HN 0.585 nan 8.310 nan 0.000 0.528 167 A N 1.681 124.452 122.820 -0.083 0.000 1.898 167 A HA 0.067 4.387 4.320 -0.000 0.000 0.214 167 A C 1.888 179.393 177.584 -0.133 0.000 1.183 167 A CA 1.114 53.066 52.037 -0.141 0.000 0.622 167 A CB -0.910 17.972 19.000 -0.197 0.000 0.824 167 A HN 0.647 nan 8.150 nan 0.000 0.444 168 H N -1.470 117.618 119.070 0.031 0.000 2.389 168 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 168 H C 2.189 177.495 175.328 -0.036 0.000 1.081 168 H CA 1.434 57.518 56.048 0.060 0.000 1.345 168 H CB -0.167 29.667 29.762 0.119 0.000 1.393 168 H HN 0.528 nan 8.280 nan 0.000 0.520 169 C N 0.255 119.606 119.300 0.085 0.000 2.413 169 C HA -0.139 4.321 4.460 -0.000 0.000 0.276 169 C C 2.687 177.632 174.990 -0.076 0.000 1.248 169 C CA 0.827 59.859 59.018 0.023 0.000 1.742 169 C CB -0.819 26.931 27.740 0.016 0.000 2.017 169 C HN 0.524 nan 8.230 nan 0.000 0.481 170 I N 0.936 121.427 120.570 -0.131 0.000 2.252 170 I HA -0.079 4.091 4.170 -0.000 0.000 0.245 170 I C 2.733 178.654 176.117 -0.327 0.000 1.102 170 I CA 1.739 62.922 61.300 -0.194 0.000 1.385 170 I CB -0.913 36.977 38.000 -0.183 0.000 1.064 170 I HN 0.434 nan 8.210 nan 0.000 0.414 171 G N 0.457 108.917 108.800 -0.567 0.000 2.418 171 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 171 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 171 G C 1.446 175.961 174.900 -0.641 0.000 1.158 171 G CA 0.781 45.109 45.100 -1.287 0.000 0.771 171 G HN 0.401 nan 8.290 nan 0.000 0.545 172 N N 0.840 119.390 118.700 -0.250 0.000 2.244 172 N HA -0.052 4.688 4.740 -0.000 0.000 0.183 172 N C 2.535 178.014 175.510 -0.051 0.000 1.016 172 N CA 0.918 53.955 53.050 -0.023 0.000 0.866 172 N CB -0.085 38.464 38.487 0.104 0.000 0.980 172 N HN 0.254 nan 8.380 nan 0.000 0.430 173 A N 0.775 123.527 122.820 -0.113 0.000 1.902 173 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 173 A C 2.397 179.912 177.584 -0.114 0.000 1.181 173 A CA 1.099 53.064 52.037 -0.120 0.000 0.623 173 A CB -0.735 18.177 19.000 -0.145 0.000 0.818 173 A HN 0.178 nan 8.150 nan 0.000 0.443 174 V N 0.243 120.075 119.914 -0.138 0.000 2.332 174 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 174 V C 2.387 178.457 176.094 -0.040 0.000 1.055 174 V CA 2.367 64.607 62.300 -0.099 0.000 1.038 174 V CB -0.889 30.861 31.823 -0.122 0.000 0.651 174 V HN 0.660 nan 8.190 nan 0.000 0.450 175 E N -0.589 119.603 120.200 -0.012 0.000 2.153 175 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 175 E C 2.361 178.973 176.600 0.020 0.000 0.988 175 E CA 0.959 57.381 56.400 0.037 0.000 0.811 175 E CB -0.151 29.601 29.700 0.086 0.000 0.746 175 E HN 0.543 nan 8.360 nan 0.000 0.466 176 Q N 0.265 120.065 119.800 -0.000 0.000 2.124 176 Q HA -0.105 4.234 4.340 -0.000 0.000 0.202 176 Q C 2.224 178.209 176.000 -0.024 0.000 0.977 176 Q CA 1.049 56.848 55.803 -0.007 0.000 0.850 176 Q CB -0.069 28.651 28.738 -0.030 0.000 0.901 176 Q HN 0.419 nan 8.270 nan 0.000 0.429 177 I N 0.476 121.021 120.570 -0.042 0.000 2.333 177 I HA -0.249 3.921 4.170 -0.000 0.000 0.246 177 I C 2.301 178.403 176.117 -0.025 0.000 1.106 177 I CA 0.830 62.100 61.300 -0.050 0.000 1.411 177 I CB -0.173 37.783 38.000 -0.073 0.000 1.082 177 I HN 0.197 nan 8.210 nan 0.000 0.420 178 Q N 0.061 119.854 119.800 -0.010 0.000 2.226 178 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 178 Q C 1.881 177.886 176.000 0.009 0.000 0.975 178 Q CA 1.109 56.915 55.803 0.005 0.000 0.866 178 Q CB -0.032 28.718 28.738 0.021 0.000 0.915 178 Q HN 0.331 nan 8.270 nan 0.000 0.440 179 L N -0.744 120.484 121.223 0.009 0.000 2.554 179 L HA 0.104 4.444 4.340 -0.000 0.000 0.226 179 L C 1.267 178.141 176.870 0.006 0.000 1.137 179 L CA 1.549 56.397 54.840 0.012 0.000 0.863 179 L CB -0.488 41.582 42.059 0.019 0.000 0.985 179 L HN 0.388 nan 8.230 nan 0.000 0.451 180 G N -0.854 107.944 108.800 -0.002 0.000 2.148 180 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.254 180 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.254 180 G C 1.405 176.301 174.900 -0.007 0.000 0.981 180 G CA 0.729 45.826 45.100 -0.005 0.000 0.670 180 G HN 0.399 nan 8.290 nan 0.000 0.528 181 K N -0.800 119.596 120.400 -0.008 0.000 2.243 181 K HA 0.106 4.426 4.320 -0.000 0.000 0.201 181 K C 1.002 177.590 176.600 -0.021 0.000 1.051 181 K CA 0.853 57.136 56.287 -0.006 0.000 0.970 181 K CB 0.049 32.553 32.500 0.006 0.000 0.755 181 K HN 0.440 nan 8.250 nan 0.000 0.465 182 Q N -0.347 119.426 119.800 -0.045 0.000 2.421 182 Q HA 0.153 4.493 4.340 -0.000 0.000 0.280 182 Q C -0.478 175.447 176.000 -0.125 0.000 1.085 182 Q CA -0.384 55.372 55.803 -0.077 0.000 0.807 182 Q CB 1.958 30.642 28.738 -0.089 0.000 1.405 182 Q HN -0.054 nan 8.270 nan 0.000 0.419 183 D N 0.148 120.433 120.400 -0.192 0.000 2.324 183 D HA 0.275 4.915 4.640 -0.000 0.000 0.212 183 D C 0.271 176.334 176.300 -0.394 0.000 0.984 183 D CA 0.804 54.605 54.000 -0.332 0.000 0.885 183 D CB 1.284 41.756 40.800 -0.547 0.000 0.996 183 D HN 0.360 nan 8.370 nan 0.000 0.505 184 I N 0.697 121.059 120.570 -0.346 0.000 2.619 184 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 184 I C -1.155 174.743 176.117 -0.366 0.000 1.100 184 I CA -0.815 60.252 61.300 -0.387 0.000 1.043 184 I CB 3.321 41.051 38.000 -0.450 0.000 1.239 184 I HN -0.411 nan 8.210 nan 0.000 0.420 185 V N 5.638 125.306 119.914 -0.411 0.000 2.569 185 V HA 0.378 4.498 4.120 -0.000 0.000 0.301 185 V C -0.724 175.126 176.094 -0.406 0.000 1.044 185 V CA -0.591 61.515 62.300 -0.325 0.000 0.874 185 V CB 1.656 33.357 31.823 -0.203 0.000 1.002 185 V HN 0.388 nan 8.190 nan 0.000 0.424 186 F N 3.488 123.336 119.950 -0.171 0.000 2.445 186 F HA 0.663 5.190 4.527 -0.000 0.000 0.359 186 F C 0.774 176.473 175.800 -0.168 0.000 1.101 186 F CA 0.060 57.943 58.000 -0.196 0.000 1.177 186 F CB 1.071 39.918 39.000 -0.256 0.000 1.110 186 F HN 0.583 nan 8.300 nan 0.000 0.522 187 A N 2.676 125.482 122.820 -0.024 0.000 2.386 187 A HA 0.951 5.271 4.320 -0.000 0.000 0.311 187 A C 0.007 177.562 177.584 -0.049 0.000 1.068 187 A CA 0.073 52.078 52.037 -0.053 0.000 0.743 187 A CB 1.467 20.409 19.000 -0.097 0.000 1.258 187 A HN 1.011 nan 8.150 nan 0.000 0.429 188 G N -0.433 108.343 108.800 -0.039 0.000 2.452 188 G HA2 0.710 4.670 3.960 -0.000 0.000 0.224 188 G HA3 0.710 4.670 3.960 -0.000 0.000 0.224 188 G C -0.187 174.704 174.900 -0.015 0.000 1.208 188 G CA 0.403 45.479 45.100 -0.041 0.000 0.946 188 G HN 2.318 nan 8.290 nan 0.000 0.481 189 G N -2.159 106.637 108.800 -0.006 0.000 2.342 189 G HA2 0.826 4.786 3.960 -0.000 0.000 0.297 189 G HA3 0.826 4.786 3.960 -0.000 0.000 0.297 189 G C -0.524 174.400 174.900 0.040 0.000 1.313 189 G CA 0.686 45.799 45.100 0.021 0.000 0.830 189 G HN 2.106 nan 8.290 nan 0.000 0.506 190 G N -1.295 107.543 108.800 0.065 0.000 2.677 190 G HA2 0.677 4.637 3.960 -0.000 0.000 0.291 190 G HA3 0.677 4.637 3.960 -0.000 0.000 0.291 190 G C -1.978 172.988 174.900 0.109 0.000 1.435 190 G CA -0.312 44.856 45.100 0.113 0.000 0.826 190 G HN 0.704 nan 8.290 nan 0.000 0.491 191 E N -0.278 120.020 120.200 0.163 0.000 2.321 191 E HA 0.359 4.709 4.350 -0.000 0.000 0.281 191 E C -0.248 176.466 176.600 0.190 0.000 0.910 191 E CA -0.683 55.789 56.400 0.120 0.000 0.770 191 E CB 1.554 31.284 29.700 0.049 0.000 1.225 191 E HN 0.713 nan 8.360 nan 0.000 0.417 192 E N 3.151 123.423 120.200 0.120 0.000 2.371 192 E HA 0.367 4.717 4.350 -0.000 0.000 0.257 192 E C -0.778 175.868 176.600 0.077 0.000 1.134 192 E CA -0.777 55.689 56.400 0.109 0.000 0.919 192 E CB 1.077 30.795 29.700 0.029 0.000 1.025 192 E HN 0.256 nan 8.360 nan 0.000 0.438 193 L N 2.878 124.125 121.223 0.040 0.000 2.342 193 L HA 0.421 4.761 4.340 -0.000 0.000 0.276 193 L C -1.284 175.607 176.870 0.035 0.000 0.997 193 L CA -0.375 54.445 54.840 -0.032 0.000 0.838 193 L CB 0.662 42.557 42.059 -0.274 0.000 1.224 193 L HN 0.916 nan 8.230 nan 0.000 0.416 194 C N 1.960 121.336 119.300 0.128 0.000 3.239 194 C HA 0.486 4.946 4.460 -0.000 0.000 0.317 194 C C 1.107 176.194 174.990 0.161 0.000 1.310 194 C CA -0.915 58.187 59.018 0.139 0.000 1.371 194 C CB 0.847 28.543 27.740 -0.074 0.000 1.714 194 C HN 1.021 nan 8.230 nan 0.000 0.473 195 W N 0.762 122.170 121.300 0.179 0.000 2.402 195 W HA 0.055 4.715 4.660 -0.000 0.000 0.286 195 W C 1.030 177.610 176.519 0.103 0.000 1.221 195 W CA 1.692 59.110 57.345 0.122 0.000 1.257 195 W CB -0.977 28.519 29.460 0.061 0.000 1.120 195 W HN 0.856 nan 8.180 nan 0.000 0.551 196 E N 0.908 120.499 120.200 -1.015 0.000 2.130 196 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 196 E C 2.296 178.735 176.600 -0.269 0.000 0.998 196 E CA 2.597 58.430 56.400 -0.945 0.000 0.806 196 E CB -0.568 28.602 29.700 -0.884 0.000 0.738 196 E HN 0.398 nan 8.360 nan 0.000 0.459 197 M N -0.807 118.735 119.600 -0.096 0.000 2.552 197 M HA 0.174 4.654 4.480 -0.000 0.000 0.264 197 M C 2.020 178.472 176.300 0.253 0.000 1.159 197 M CA 0.991 56.340 55.300 0.082 0.000 1.176 197 M CB 0.218 32.890 32.600 0.120 0.000 1.327 197 M HN 0.132 nan 8.290 nan 0.000 0.481 198 A N 0.495 123.470 122.820 0.259 0.000 1.933 198 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 198 A C 2.312 180.083 177.584 0.312 0.000 1.175 198 A CA 1.730 53.968 52.037 0.334 0.000 0.628 198 A CB -1.694 17.472 19.000 0.277 0.000 0.814 198 A HN 0.872 nan 8.150 nan 0.000 0.444 199 C N -0.577 118.884 119.300 0.268 0.000 2.419 199 C HA -0.062 4.398 4.460 -0.000 0.000 0.281 199 C C 2.157 177.239 174.990 0.154 0.000 1.336 199 C CA 0.999 60.155 59.018 0.231 0.000 1.770 199 C CB -1.546 26.381 27.740 0.313 0.000 1.929 199 C HN 0.656 nan 8.230 nan 0.000 0.509 200 E N 0.512 120.776 120.200 0.106 0.000 2.077 200 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 200 E C 1.764 178.296 176.600 -0.113 0.000 0.989 200 E CA 1.504 57.875 56.400 -0.047 0.000 0.800 200 E CB -0.319 29.276 29.700 -0.175 0.000 0.746 200 E HN 0.788 nan 8.360 nan 0.000 0.452 201 F N 0.954 120.966 119.950 0.104 0.000 2.293 201 F HA -0.101 4.426 4.527 -0.000 0.000 0.297 201 F C 2.191 178.015 175.800 0.040 0.000 1.089 201 F CA 0.881 58.944 58.000 0.105 0.000 1.377 201 F CB -0.068 38.981 39.000 0.081 0.000 1.051 201 F HN -0.044 nan 8.300 nan 0.000 0.511 202 D N 0.275 120.788 120.400 0.187 0.000 2.117 202 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 202 D C 2.293 178.639 176.300 0.077 0.000 0.982 202 D CA 1.236 55.293 54.000 0.096 0.000 0.828 202 D CB -0.241 40.611 40.800 0.088 0.000 0.967 202 D HN 0.142 nan 8.370 nan 0.000 0.464 203 A N 0.516 123.381 122.820 0.074 0.000 2.024 203 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 203 A C 2.250 179.862 177.584 0.047 0.000 1.164 203 A CA 1.579 53.647 52.037 0.051 0.000 0.643 203 A CB -0.700 18.325 19.000 0.042 0.000 0.806 203 A HN 0.416 nan 8.150 nan 0.000 0.451 204 M N -1.225 118.411 119.600 0.061 0.000 2.556 204 M HA 0.241 4.721 4.480 -0.000 0.000 0.245 204 M C 1.136 177.490 176.300 0.091 0.000 1.128 204 M CA 1.094 56.438 55.300 0.073 0.000 1.069 204 M CB 0.106 32.765 32.600 0.098 0.000 1.469 204 M HN 0.634 nan 8.290 nan 0.000 0.494 205 G N 0.337 109.187 108.800 0.083 0.000 2.143 205 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.248 205 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.248 205 G C 0.667 175.622 174.900 0.090 0.000 0.991 205 G CA 0.467 45.608 45.100 0.070 0.000 0.689 205 G HN 0.680 nan 8.290 nan 0.000 0.522 206 A N -0.853 122.045 122.820 0.130 0.000 2.072 206 A HA 0.628 4.948 4.320 -0.000 0.000 0.216 206 A C 1.363 178.860 177.584 -0.145 0.000 1.156 206 A CA 0.809 52.938 52.037 0.153 0.000 0.701 206 A CB 0.089 19.361 19.000 0.454 0.000 0.816 206 A HN 0.649 nan 8.150 nan 0.000 0.458 207 L N 0.004 121.090 121.223 -0.228 0.000 2.399 207 L HA 0.315 4.655 4.340 -0.000 0.000 0.266 207 L C 0.783 177.580 176.870 -0.121 0.000 1.114 207 L CA -0.508 54.130 54.840 -0.337 0.000 0.804 207 L CB 1.343 43.239 42.059 -0.272 0.000 1.146 207 L HN 0.184 nan 8.230 nan 0.000 0.451 208 S N -0.091 115.562 115.700 -0.077 0.000 2.549 208 S HA 0.194 4.664 4.470 -0.000 0.000 0.279 208 S C 0.695 175.298 174.600 0.005 0.000 1.321 208 S CA 0.092 58.314 58.200 0.037 0.000 1.054 208 S CB 0.560 63.831 63.200 0.118 0.000 0.899 208 S HN 0.816 nan 8.310 nan 0.000 0.497 209 T N 1.405 115.954 114.554 -0.008 0.000 3.009 209 T HA 0.327 4.677 4.350 -0.000 0.000 0.267 209 T C 0.889 175.507 174.700 -0.138 0.000 0.942 209 T CA -0.415 61.630 62.100 -0.091 0.000 0.883 209 T CB -0.131 68.674 68.868 -0.106 0.000 1.192 209 T HN 0.590 nan 8.240 nan 0.000 0.524 210 K N 0.351 120.631 120.400 -0.199 0.000 2.444 210 K HA 0.202 4.522 4.320 -0.000 0.000 0.193 210 K C -0.289 175.925 176.600 -0.643 0.000 1.024 210 K CA 0.471 56.481 56.287 -0.462 0.000 1.077 210 K CB 0.067 32.155 32.500 -0.685 0.000 0.833 210 K HN 0.511 nan 8.250 nan 0.000 0.517 211 Y N -0.419 119.879 120.300 -0.003 0.000 2.715 211 Y HA 0.204 4.754 4.550 -0.000 0.000 0.255 211 Y C 0.774 176.697 175.900 0.038 0.000 1.139 211 Y CA -0.671 57.440 58.100 0.018 0.000 1.151 211 Y CB 0.127 38.605 38.460 0.029 0.000 1.201 211 Y HN -0.013 nan 8.280 nan 0.000 0.556 212 N N 0.950 119.714 118.700 0.108 0.000 2.364 212 N HA -0.152 4.588 4.740 -0.000 0.000 0.183 212 N C 1.106 176.738 175.510 0.204 0.000 1.022 212 N CA 1.632 54.782 53.050 0.166 0.000 0.883 212 N CB -0.052 38.504 38.487 0.115 0.000 0.965 212 N HN 0.616 nan 8.380 nan 0.000 0.438 213 D N -0.471 119.999 120.400 0.117 0.000 2.348 213 D HA -0.036 4.604 4.640 -0.000 0.000 0.211 213 D C 0.245 176.591 176.300 0.076 0.000 0.998 213 D CA 0.484 54.521 54.000 0.063 0.000 0.873 213 D CB -0.267 40.546 40.800 0.021 0.000 0.925 213 D HN 0.153 nan 8.370 nan 0.000 0.524 214 T N -1.798 112.834 114.554 0.130 0.000 3.542 214 T HA 0.273 4.623 4.350 -0.000 0.000 0.276 214 T C -2.045 172.739 174.700 0.141 0.000 1.412 214 T CA -1.307 60.865 62.100 0.121 0.000 1.664 214 T CB 1.783 70.730 68.868 0.131 0.000 0.863 214 T HN -0.256 nan 8.240 nan 0.000 0.661 215 P HA -0.202 nan 4.420 nan 0.000 0.217 215 P C 1.168 178.527 177.300 0.099 0.000 1.151 215 P CA 1.402 64.593 63.100 0.151 0.000 0.849 215 P CB 0.247 32.059 31.700 0.187 0.000 0.787 216 E N -0.200 120.044 120.200 0.074 0.000 2.472 216 E HA -0.116 4.234 4.350 -0.000 0.000 0.200 216 E C 1.298 177.896 176.600 -0.002 0.000 1.046 216 E CA 0.723 57.146 56.400 0.039 0.000 0.871 216 E CB -0.204 29.516 29.700 0.034 0.000 0.806 216 E HN 0.473 nan 8.360 nan 0.000 0.533 217 K N -0.595 119.791 120.400 -0.023 0.000 2.402 217 K HA 0.248 4.568 4.320 -0.000 0.000 0.204 217 K C 1.533 177.942 176.600 -0.318 0.000 1.056 217 K CA 0.166 56.374 56.287 -0.132 0.000 1.069 217 K CB 0.977 33.411 32.500 -0.110 0.000 0.888 217 K HN -0.044 nan 8.250 nan 0.000 0.546 218 A N 1.232 123.957 122.820 -0.159 0.000 1.898 218 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 218 A C 1.353 178.852 177.584 -0.142 0.000 1.181 218 A CA 1.119 53.072 52.037 -0.140 0.000 0.620 218 A CB -0.046 19.014 19.000 0.100 0.000 0.819 218 A HN 0.151 nan 8.150 nan 0.000 0.442 219 S N 0.364 116.021 115.700 -0.071 0.000 2.439 219 S HA 0.453 4.923 4.470 -0.000 0.000 0.282 219 S C 0.152 174.694 174.600 -0.097 0.000 1.170 219 S CA -0.610 57.564 58.200 -0.044 0.000 1.054 219 S CB -0.112 63.088 63.200 -0.001 0.000 0.956 219 S HN 0.500 nan 8.310 nan 0.000 0.490 220 R N 2.422 122.858 120.500 -0.107 0.000 2.627 220 R HA 0.217 4.557 4.340 -0.000 0.000 0.251 220 R C -0.730 175.505 176.300 -0.109 0.000 1.524 220 R CA -0.652 55.382 56.100 -0.110 0.000 1.606 220 R CB -0.843 29.369 30.300 -0.147 0.000 1.396 220 R HN 0.392 nan 8.270 nan 0.000 0.724 221 T N 2.085 116.532 114.554 -0.180 0.000 2.891 221 T HA -0.079 4.271 4.350 -0.000 0.000 0.296 221 T C 0.015 174.505 174.700 -0.349 0.000 1.025 221 T CA 0.934 62.799 62.100 -0.391 0.000 1.149 221 T CB -0.086 68.421 68.868 -0.600 0.000 1.007 221 T HN 0.569 nan 8.240 nan 0.000 0.528 222 Y N -1.346 118.959 120.300 0.008 0.000 4.779 222 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 222 Y C 0.764 176.658 175.900 -0.009 0.000 0.973 222 Y CA 0.527 58.630 58.100 0.004 0.000 1.792 222 Y CB -2.251 36.212 38.460 0.005 0.000 1.120 222 Y HN 0.793 nan 8.280 nan 0.000 0.450 223 D N 0.472 120.922 120.400 0.084 0.000 2.372 223 D HA 0.534 5.174 4.640 -0.000 0.000 0.243 223 D C 1.277 177.566 176.300 -0.019 0.000 1.121 223 D CA 0.805 54.827 54.000 0.037 0.000 0.898 223 D CB 1.201 42.014 40.800 0.023 0.000 1.202 223 D HN 0.272 nan 8.370 nan 0.000 0.428 224 A N 2.591 125.332 122.820 -0.130 0.000 2.168 224 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 224 A C 0.943 178.260 177.584 -0.444 0.000 1.152 224 A CA 1.065 52.925 52.037 -0.295 0.000 0.716 224 A CB -0.474 18.286 19.000 -0.400 0.000 0.794 224 A HN 0.758 nan 8.150 nan 0.000 0.465 225 H N -0.410 118.718 119.070 0.096 0.000 2.486 225 H HA 0.168 4.724 4.556 -0.000 0.000 0.284 225 H C 0.446 175.887 175.328 0.188 0.000 1.103 225 H CA -0.514 55.619 56.048 0.142 0.000 1.089 225 H CB 0.177 30.047 29.762 0.180 0.000 1.603 225 H HN 0.547 nan 8.280 nan 0.000 0.557 226 R N 1.502 122.095 120.500 0.155 0.000 2.643 226 R HA 0.029 4.369 4.340 -0.000 0.000 0.270 226 R C -0.472 175.937 176.300 0.183 0.000 1.061 226 R CA 0.287 56.470 56.100 0.137 0.000 1.107 226 R CB 0.503 30.835 30.300 0.054 0.000 0.999 226 R HN 0.239 nan 8.270 nan 0.000 0.460 227 D N 0.257 120.781 120.400 0.207 0.000 2.692 227 D HA 0.231 4.871 4.640 -0.000 0.000 0.290 227 D C 0.109 176.485 176.300 0.126 0.000 1.455 227 D CA -0.016 54.084 54.000 0.166 0.000 0.796 227 D CB 0.553 41.456 40.800 0.172 0.000 1.131 227 D HN 0.889 nan 8.370 nan 0.000 0.467 228 G N 0.431 109.309 108.800 0.131 0.000 2.357 228 G HA2 0.247 4.207 3.960 -0.000 0.000 0.643 228 G HA3 0.247 4.207 3.960 -0.000 0.000 0.643 228 G C -0.667 174.319 174.900 0.142 0.000 1.358 228 G CA -0.724 44.450 45.100 0.123 0.000 0.986 228 G HN 0.270 nan 8.290 nan 0.000 0.620 229 F N -0.517 119.492 119.950 0.098 0.000 2.368 229 F HA 0.817 5.344 4.527 -0.000 0.000 0.315 229 F C 0.228 176.067 175.800 0.066 0.000 1.145 229 F CA -1.381 56.662 58.000 0.071 0.000 1.095 229 F CB 1.240 40.305 39.000 0.107 0.000 1.286 229 F HN 0.379 nan 8.300 nan 0.000 0.530 230 V N 4.016 124.104 119.914 0.290 0.000 2.370 230 V HA 0.264 4.384 4.120 -0.000 0.000 0.283 230 V C 0.178 176.456 176.094 0.306 0.000 1.023 230 V CA -0.874 61.531 62.300 0.175 0.000 0.857 230 V CB 1.181 33.093 31.823 0.148 0.000 0.985 230 V HN 0.840 nan 8.190 nan 0.000 0.443 231 I N 4.725 125.417 120.570 0.204 0.000 2.692 231 I HA 0.525 4.695 4.170 -0.000 0.000 0.284 231 I C 0.499 176.711 176.117 0.158 0.000 1.159 231 I CA 0.504 61.930 61.300 0.210 0.000 1.423 231 I CB 0.894 38.958 38.000 0.107 0.000 1.380 231 I HN 0.804 nan 8.210 nan 0.000 0.580 232 A N 4.823 127.683 122.820 0.067 0.000 2.552 232 A HA 0.930 5.250 4.320 -0.000 0.000 0.288 232 A C -0.613 176.932 177.584 -0.066 0.000 1.193 232 A CA -0.121 51.911 52.037 -0.009 0.000 0.713 232 A CB 1.373 20.380 19.000 0.011 0.000 1.305 232 A HN 0.828 nan 8.150 nan 0.000 0.424 233 G N -2.249 106.474 108.800 -0.129 0.000 2.725 233 G HA2 0.899 4.858 3.960 -0.000 0.000 0.288 233 G HA3 0.899 4.858 3.960 -0.000 0.000 0.288 233 G C -0.095 174.662 174.900 -0.239 0.000 1.399 233 G CA -0.100 44.929 45.100 -0.118 0.000 0.859 233 G HN 2.339 nan 8.290 nan 0.000 0.479 234 G N -1.950 106.680 108.800 -0.283 0.000 2.278 234 G HA2 0.635 4.595 3.960 -0.000 0.000 0.265 234 G HA3 0.635 4.595 3.960 -0.000 0.000 0.265 234 G C -0.202 174.626 174.900 -0.120 0.000 1.329 234 G CA 0.357 45.144 45.100 -0.522 0.000 1.017 234 G HN 2.157 nan 8.290 nan 0.000 0.472 235 G N -1.896 106.845 108.800 -0.099 0.000 2.608 235 G HA2 0.974 4.934 3.960 -0.000 0.000 0.291 235 G HA3 0.974 4.934 3.960 -0.000 0.000 0.291 235 G C -0.405 174.472 174.900 -0.040 0.000 1.425 235 G CA 0.559 45.666 45.100 0.012 0.000 0.787 235 G HN 2.176 nan 8.290 nan 0.000 0.484 236 G N -1.388 107.390 108.800 -0.036 0.000 2.703 236 G HA2 0.685 4.645 3.960 -0.000 0.000 0.294 236 G HA3 0.685 4.645 3.960 -0.000 0.000 0.294 236 G C -1.724 173.136 174.900 -0.066 0.000 1.451 236 G CA -0.573 44.481 45.100 -0.076 0.000 0.869 236 G HN 1.013 nan 8.290 nan 0.000 0.516 237 M N 0.961 120.513 119.600 -0.080 0.000 2.325 237 M HA 0.603 5.083 4.480 -0.000 0.000 0.285 237 M C -1.027 175.225 176.300 -0.079 0.000 1.119 237 M CA -0.632 54.626 55.300 -0.070 0.000 0.959 237 M CB 2.239 34.795 32.600 -0.073 0.000 1.737 237 M HN 1.179 nan 8.290 nan 0.000 0.486 238 V N 1.815 121.683 119.914 -0.078 0.000 2.864 238 V HA 0.905 5.025 4.120 -0.000 0.000 0.314 238 V C -1.094 174.944 176.094 -0.092 0.000 1.073 238 V CA -0.898 61.343 62.300 -0.099 0.000 0.956 238 V CB 1.882 33.624 31.823 -0.134 0.000 1.023 238 V HN 0.598 nan 8.190 nan 0.000 0.435 239 V N 3.942 123.788 119.914 -0.114 0.000 2.334 239 V HA 0.331 4.451 4.120 -0.000 0.000 0.267 239 V C 0.137 176.102 176.094 -0.216 0.000 1.040 239 V CA -0.309 61.851 62.300 -0.235 0.000 0.866 239 V CB 1.088 32.791 31.823 -0.201 0.000 1.019 239 V HN 0.738 nan 8.190 nan 0.000 0.468 240 V N 5.278 125.035 119.914 -0.261 0.000 2.406 240 V HA 0.460 4.580 4.120 -0.000 0.000 0.272 240 V C 0.088 176.044 176.094 -0.229 0.000 1.043 240 V CA -0.260 61.919 62.300 -0.201 0.000 0.915 240 V CB 1.299 33.013 31.823 -0.183 0.000 0.988 240 V HN 0.963 nan 8.190 nan 0.000 0.466 241 E N 2.858 122.960 120.200 -0.165 0.000 2.340 241 E HA 0.352 4.702 4.350 -0.000 0.000 0.273 241 E C -0.807 175.733 176.600 -0.100 0.000 0.891 241 E CA -0.744 55.561 56.400 -0.159 0.000 0.757 241 E CB 1.867 31.497 29.700 -0.116 0.000 1.231 241 E HN 0.685 nan 8.360 nan 0.000 0.439 242 E N 3.399 123.537 120.200 -0.104 0.000 2.392 242 E HA -0.020 4.330 4.350 -0.000 0.000 0.264 242 E C 0.768 177.372 176.600 0.008 0.000 1.024 242 E CA -0.094 56.279 56.400 -0.046 0.000 0.903 242 E CB 1.179 30.851 29.700 -0.046 0.000 0.963 242 E HN 0.628 nan 8.360 nan 0.000 0.432 243 L N 5.222 126.446 121.223 0.003 0.000 1.990 243 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 243 L C 1.943 178.827 176.870 0.023 0.000 1.072 243 L CA 1.939 56.783 54.840 0.007 0.000 0.755 243 L CB -0.358 41.699 42.059 -0.003 0.000 0.889 243 L HN 0.546 nan 8.230 nan 0.000 0.432 244 E N -1.108 119.111 120.200 0.032 0.000 2.077 244 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 244 E C 2.227 178.852 176.600 0.042 0.000 0.989 244 E CA 1.354 57.770 56.400 0.027 0.000 0.800 244 E CB -0.739 28.976 29.700 0.026 0.000 0.746 244 E HN 0.660 nan 8.360 nan 0.000 0.452 245 H N 0.643 119.698 119.070 -0.025 0.000 2.352 245 H HA -0.056 4.500 4.556 -0.000 0.000 0.299 245 H C 1.794 177.105 175.328 -0.027 0.000 1.097 245 H CA 1.765 57.798 56.048 -0.025 0.000 1.311 245 H CB 0.207 29.950 29.762 -0.031 0.000 1.377 245 H HN 0.128 nan 8.280 nan 0.000 0.504 246 A N 0.970 123.863 122.820 0.122 0.000 1.873 246 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 246 A C 2.880 180.459 177.584 -0.009 0.000 1.186 246 A CA 1.054 53.126 52.037 0.057 0.000 0.616 246 A CB -0.791 18.229 19.000 0.033 0.000 0.823 246 A HN 0.394 nan 8.150 nan 0.000 0.442 247 L N -0.628 120.586 121.223 -0.015 0.000 2.046 247 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 247 L C 3.042 179.887 176.870 -0.043 0.000 1.077 247 L CA 0.998 55.821 54.840 -0.028 0.000 0.747 247 L CB -0.542 41.504 42.059 -0.022 0.000 0.896 247 L HN 0.421 nan 8.230 nan 0.000 0.432 248 A N 1.033 123.815 122.820 -0.063 0.000 2.024 248 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 248 A C 2.231 179.758 177.584 -0.096 0.000 1.164 248 A CA 1.800 53.786 52.037 -0.085 0.000 0.643 248 A CB -0.531 18.400 19.000 -0.116 0.000 0.806 248 A HN 0.602 nan 8.150 nan 0.000 0.451 249 R N -1.645 118.790 120.500 -0.107 0.000 2.362 249 R HA 0.377 4.717 4.340 -0.000 0.000 0.227 249 R C 0.948 177.225 176.300 -0.039 0.000 0.905 249 R CA 0.588 56.639 56.100 -0.083 0.000 1.067 249 R CB -0.539 29.699 30.300 -0.103 0.000 1.078 249 R HN 0.713 nan 8.270 nan 0.000 0.516 250 G N 0.845 109.625 108.800 -0.032 0.000 2.246 250 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.273 250 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.273 250 G C 0.275 175.173 174.900 -0.002 0.000 1.055 250 G CA 0.126 45.216 45.100 -0.016 0.000 0.851 250 G HN 0.700 nan 8.290 nan 0.000 0.500 251 A N -0.412 122.406 122.820 -0.003 0.000 2.366 251 A HA 0.605 4.925 4.320 -0.000 0.000 0.249 251 A C 0.371 177.962 177.584 0.011 0.000 1.084 251 A CA 0.395 52.442 52.037 0.016 0.000 0.794 251 A CB 0.337 19.346 19.000 0.015 0.000 1.034 251 A HN 1.487 nan 8.150 nan 0.000 0.491 252 H N 0.481 119.506 119.070 -0.075 0.000 2.604 252 H HA 0.550 5.106 4.556 -0.000 0.000 0.306 252 H C -0.810 174.417 175.328 -0.168 0.000 1.075 252 H CA -0.401 55.558 56.048 -0.148 0.000 1.357 252 H CB 0.209 29.842 29.762 -0.214 0.000 1.426 252 H HN 0.420 nan 8.280 nan 0.000 0.470 253 I N 7.035 127.211 120.570 -0.657 0.000 2.312 253 I HA 0.032 4.202 4.170 -0.000 0.000 0.290 253 I C 0.054 175.805 176.117 -0.610 0.000 1.008 253 I CA -0.379 60.646 61.300 -0.457 0.000 1.226 253 I CB 0.879 38.747 38.000 -0.219 0.000 1.371 253 I HN 0.767 nan 8.210 nan 0.000 0.468 254 Y N 5.145 125.238 120.300 -0.346 0.000 2.206 254 Y HA 0.225 4.775 4.550 -0.000 0.000 0.292 254 Y C 1.265 177.086 175.900 -0.133 0.000 1.123 254 Y CA 0.980 58.960 58.100 -0.201 0.000 1.142 254 Y CB 0.131 38.549 38.460 -0.070 0.000 1.006 254 Y HN 0.661 nan 8.280 nan 0.000 0.518 255 A N -0.848 122.009 122.820 0.061 0.000 2.540 255 A HA 0.435 4.755 4.320 -0.000 0.000 0.291 255 A C -1.525 176.058 177.584 -0.003 0.000 1.083 255 A CA -0.829 51.218 52.037 0.016 0.000 0.650 255 A CB 0.883 19.902 19.000 0.031 0.000 1.292 255 A HN 0.061 nan 8.150 nan 0.000 0.435 256 E N 0.354 120.549 120.200 -0.008 0.000 2.191 256 E HA 0.615 4.965 4.350 -0.000 0.000 0.274 256 E C -1.236 175.361 176.600 -0.005 0.000 0.948 256 E CA -0.613 55.780 56.400 -0.011 0.000 0.802 256 E CB 1.029 30.722 29.700 -0.011 0.000 1.137 256 E HN 0.494 nan 8.360 nan 0.000 0.397 257 I N 5.518 126.082 120.570 -0.010 0.000 2.308 257 I HA 0.037 4.207 4.170 -0.000 0.000 0.293 257 I C 1.119 177.246 176.117 0.018 0.000 1.078 257 I CA -0.267 61.032 61.300 -0.002 0.000 1.292 257 I CB 0.982 38.968 38.000 -0.022 0.000 1.423 257 I HN 0.489 nan 8.210 nan 0.000 0.493 258 V N 2.704 122.636 119.914 0.030 0.000 3.660 258 V HA 0.515 4.635 4.120 -0.000 0.000 0.276 258 V C 0.712 176.843 176.094 0.061 0.000 1.317 258 V CA 0.237 62.560 62.300 0.038 0.000 1.097 258 V CB -0.092 31.749 31.823 0.029 0.000 0.863 258 V HN 0.724 nan 8.190 nan 0.000 0.438 259 G N -0.597 108.251 108.800 0.081 0.000 2.742 259 G HA2 0.548 4.508 3.960 -0.000 0.000 0.296 259 G HA3 0.548 4.508 3.960 -0.000 0.000 0.296 259 G C -2.354 172.652 174.900 0.178 0.000 1.436 259 G CA -0.587 44.580 45.100 0.112 0.000 0.928 259 G HN 0.375 nan 8.290 nan 0.000 0.520 260 Y N 0.862 121.178 120.300 0.028 0.000 2.358 260 Y HA 0.673 5.223 4.550 -0.000 0.000 0.324 260 Y C -0.245 175.676 175.900 0.036 0.000 1.123 260 Y CA -1.056 57.057 58.100 0.023 0.000 1.067 260 Y CB 1.743 40.216 38.460 0.021 0.000 1.230 260 Y HN 0.898 nan 8.280 nan 0.000 0.429 261 G N 3.053 111.703 108.800 -0.250 0.000 2.452 261 G HA2 0.765 4.725 3.960 -0.000 0.000 0.324 261 G HA3 0.765 4.725 3.960 -0.000 0.000 0.324 261 G C -1.730 172.933 174.900 -0.395 0.000 1.214 261 G CA -0.626 44.281 45.100 -0.322 0.000 0.947 261 G HN 1.159 nan 8.290 nan 0.000 0.478 262 A N 1.553 124.171 122.820 -0.337 0.000 2.446 262 A HA 0.857 5.177 4.320 -0.000 0.000 0.282 262 A C 0.022 177.592 177.584 -0.024 0.000 1.102 262 A CA -0.100 51.887 52.037 -0.084 0.000 0.737 262 A CB 1.231 20.194 19.000 -0.062 0.000 1.212 262 A HN 1.512 nan 8.150 nan 0.000 0.434 263 T N -1.418 113.164 114.554 0.047 0.000 2.716 263 T HA 0.870 5.220 4.350 -0.000 0.000 0.286 263 T C -0.232 174.490 174.700 0.038 0.000 1.052 263 T CA -0.528 61.580 62.100 0.014 0.000 1.024 263 T CB 1.748 70.607 68.868 -0.014 0.000 1.349 263 T HN 1.304 nan 8.240 nan 0.000 0.525 264 S N -1.128 114.576 115.700 0.006 0.000 2.541 264 S HA 0.465 4.935 4.470 -0.000 0.000 0.280 264 S C -0.298 174.293 174.600 -0.015 0.000 1.112 264 S CA -0.614 57.591 58.200 0.009 0.000 0.925 264 S CB 1.687 64.890 63.200 0.005 0.000 1.067 264 S HN 0.699 nan 8.310 nan 0.000 0.479 265 D N 2.478 122.868 120.400 -0.017 0.000 2.137 265 D HA 0.160 4.800 4.640 -0.000 0.000 0.202 265 D C 1.446 177.731 176.300 -0.026 0.000 0.970 265 D CA 1.453 55.432 54.000 -0.035 0.000 0.837 265 D CB -0.494 40.282 40.800 -0.041 0.000 0.981 265 D HN 1.045 nan 8.370 nan 0.000 0.475 266 G N 0.292 109.084 108.800 -0.014 0.000 2.305 266 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.287 266 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.287 266 G C 0.650 175.540 174.900 -0.016 0.000 1.036 266 G CA 0.914 46.006 45.100 -0.013 0.000 0.887 266 G HN 0.617 nan 8.290 nan 0.000 0.505 267 A N -1.169 121.641 122.820 -0.017 0.000 1.780 267 A HA 0.624 4.944 4.320 -0.000 0.000 0.178 267 A C 0.545 178.118 177.584 -0.020 0.000 2.054 267 A CA 0.930 52.955 52.037 -0.020 0.000 1.289 267 A CB 0.427 19.412 19.000 -0.026 0.000 0.942 267 A HN 0.421 nan 8.150 nan 0.000 0.659 268 D N -0.806 119.580 120.400 -0.024 0.000 2.198 268 D HA 0.443 5.083 4.640 -0.000 0.000 0.247 268 D C 0.452 176.729 176.300 -0.037 0.000 1.010 268 D CA -0.465 53.516 54.000 -0.032 0.000 0.880 268 D CB 1.975 42.753 40.800 -0.038 0.000 1.209 268 D HN 0.138 nan 8.370 nan 0.000 0.451 269 M N 2.722 122.293 119.600 -0.050 0.000 2.254 269 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 269 M C 1.049 177.261 176.300 -0.147 0.000 1.066 269 M CA 1.514 56.779 55.300 -0.057 0.000 1.123 269 M CB 0.234 32.804 32.600 -0.049 0.000 1.388 269 M HN 0.337 nan 8.290 nan 0.000 0.425 270 V N -1.411 118.366 119.914 -0.228 0.000 3.473 270 V HA 0.441 4.561 4.120 -0.000 0.000 0.253 270 V C 0.486 176.380 176.094 -0.332 0.000 1.340 270 V CA 0.383 62.379 62.300 -0.508 0.000 1.103 270 V CB 0.367 31.896 31.823 -0.490 0.000 0.881 270 V HN 0.322 nan 8.190 nan 0.000 0.451 271 A N 2.227 124.966 122.820 -0.136 0.000 2.312 271 A HA 0.780 5.100 4.320 -0.000 0.000 0.326 271 A C -2.635 174.943 177.584 -0.011 0.000 1.172 271 A CA -1.558 50.457 52.037 -0.037 0.000 0.821 271 A CB 0.541 19.531 19.000 -0.016 0.000 1.166 271 A HN 0.173 nan 8.150 nan 0.000 0.493 272 P HA 0.130 nan 4.420 nan 0.000 0.274 272 P C 0.593 177.866 177.300 -0.046 0.000 1.231 272 P CA -0.042 63.045 63.100 -0.023 0.000 0.790 272 P CB 1.451 33.135 31.700 -0.027 0.000 0.951 273 S N 0.727 116.381 115.700 -0.077 0.000 2.486 273 S HA 0.183 4.653 4.470 -0.000 0.000 0.220 273 S C 1.613 176.165 174.600 -0.081 0.000 1.011 273 S CA 0.855 59.016 58.200 -0.065 0.000 0.921 273 S CB -0.937 62.226 63.200 -0.061 0.000 0.785 273 S HN 0.740 nan 8.310 nan 0.000 0.517 274 G N 1.807 110.525 108.800 -0.136 0.000 2.417 274 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.233 274 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.233 274 G C 0.930 175.745 174.900 -0.142 0.000 1.103 274 G CA 0.576 45.591 45.100 -0.142 0.000 0.647 274 G HN 0.488 nan 8.290 nan 0.000 0.512 275 E N 1.638 121.774 120.200 -0.108 0.000 2.106 275 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 275 E C 2.634 179.169 176.600 -0.109 0.000 0.984 275 E CA 1.993 58.339 56.400 -0.090 0.000 0.806 275 E CB -0.869 28.792 29.700 -0.065 0.000 0.750 275 E HN 0.616 nan 8.360 nan 0.000 0.458 276 G N 0.604 109.324 108.800 -0.133 0.000 2.422 276 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 276 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 276 G C 1.679 176.473 174.900 -0.177 0.000 1.140 276 G CA 0.965 45.987 45.100 -0.130 0.000 0.775 276 G HN 0.399 nan 8.290 nan 0.000 0.545 277 A N 0.167 122.795 122.820 -0.319 0.000 1.929 277 A HA 0.160 4.480 4.320 -0.000 0.000 0.216 277 A C 2.564 180.070 177.584 -0.130 0.000 1.176 277 A CA 1.536 53.323 52.037 -0.416 0.000 0.628 277 A CB -0.463 18.048 19.000 -0.816 0.000 0.816 277 A HN 0.212 nan 8.150 nan 0.000 0.444 278 V N 0.077 119.920 119.914 -0.118 0.000 2.295 278 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 278 V C 2.640 178.695 176.094 -0.065 0.000 1.049 278 V CA 2.253 64.507 62.300 -0.076 0.000 1.024 278 V CB -0.779 30.999 31.823 -0.075 0.000 0.648 278 V HN 0.521 nan 8.190 nan 0.000 0.447 279 R N -1.094 119.367 120.500 -0.066 0.000 2.096 279 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 279 R C 2.405 178.681 176.300 -0.039 0.000 1.127 279 R CA 1.689 57.756 56.100 -0.055 0.000 0.968 279 R CB -0.845 29.421 30.300 -0.056 0.000 0.861 279 R HN 0.568 nan 8.270 nan 0.000 0.440 280 C N 0.695 119.984 119.300 -0.019 0.000 2.432 280 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 280 C C 2.606 177.617 174.990 0.034 0.000 1.249 280 C CA 0.823 59.853 59.018 0.021 0.000 1.725 280 C CB -0.652 27.152 27.740 0.107 0.000 2.028 280 C HN 0.458 nan 8.230 nan 0.000 0.477 281 M N 0.107 119.738 119.600 0.053 0.000 2.132 281 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 281 M C 2.255 178.546 176.300 -0.015 0.000 1.065 281 M CA 1.748 57.074 55.300 0.043 0.000 1.122 281 M CB -0.472 32.156 32.600 0.047 0.000 1.365 281 M HN 0.375 nan 8.290 nan 0.000 0.411 282 K N 0.005 120.378 120.400 -0.046 0.000 2.148 282 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 282 K C 1.983 178.592 176.600 0.015 0.000 1.050 282 K CA 1.203 57.466 56.287 -0.041 0.000 0.942 282 K CB -0.185 32.286 32.500 -0.048 0.000 0.724 282 K HN 0.357 nan 8.250 nan 0.000 0.446 283 M N 0.531 120.128 119.600 -0.005 0.000 2.117 283 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 283 M C 2.094 178.414 176.300 0.033 0.000 1.065 283 M CA 1.653 56.945 55.300 -0.013 0.000 1.114 283 M CB -0.064 32.494 32.600 -0.071 0.000 1.361 283 M HN 0.159 nan 8.290 nan 0.000 0.408 284 A N -0.056 122.780 122.820 0.026 0.000 2.015 284 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 284 A C 1.904 179.533 177.584 0.074 0.000 1.163 284 A CA 1.269 53.339 52.037 0.054 0.000 0.646 284 A CB -0.565 18.471 19.000 0.060 0.000 0.806 284 A HN 0.630 nan 8.150 nan 0.000 0.448 285 M N -0.885 118.753 119.600 0.064 0.000 2.495 285 M HA 0.048 4.528 4.480 -0.000 0.000 0.237 285 M C 0.473 176.795 176.300 0.036 0.000 1.131 285 M CA 0.062 55.391 55.300 0.048 0.000 1.032 285 M CB 0.013 32.623 32.600 0.016 0.000 1.513 285 M HN 0.403 nan 8.290 nan 0.000 0.488 286 H N 0.733 119.798 119.070 -0.008 0.000 3.145 286 H HA 0.034 4.590 4.556 -0.000 0.000 0.288 286 H C 0.989 176.318 175.328 0.001 0.000 0.969 286 H CA 1.773 57.816 56.048 -0.010 0.000 1.444 286 H CB 0.337 30.090 29.762 -0.016 0.000 1.500 286 H HN 0.612 nan 8.280 nan 0.000 0.552 287 G N 4.026 112.602 108.800 -0.373 0.000 2.176 287 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.253 287 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.253 287 G C 0.128 174.982 174.900 -0.077 0.000 0.979 287 G CA 0.222 45.205 45.100 -0.195 0.000 0.641 287 G HN 0.583 nan 8.290 nan 0.000 0.530 288 V N 2.964 122.847 119.914 -0.052 0.000 2.353 288 V HA 0.294 4.414 4.120 -0.000 0.000 0.264 288 V C 1.259 177.342 176.094 -0.018 0.000 1.049 288 V CA 0.173 62.466 62.300 -0.011 0.000 0.896 288 V CB 1.298 33.132 31.823 0.019 0.000 1.025 288 V HN 0.474 nan 8.190 nan 0.000 0.475 289 D N 2.657 123.047 120.400 -0.016 0.000 2.363 289 D HA -0.049 4.591 4.640 -0.000 0.000 0.220 289 D C 0.802 177.103 176.300 0.001 0.000 0.994 289 D CA 0.255 54.247 54.000 -0.014 0.000 0.890 289 D CB 0.077 40.868 40.800 -0.016 0.000 0.906 289 D HN 0.585 nan 8.370 nan 0.000 0.530 290 T N -1.068 113.493 114.554 0.011 0.000 2.925 290 T HA 0.523 4.873 4.350 -0.000 0.000 0.285 290 T C -2.499 172.223 174.700 0.035 0.000 1.021 290 T CA -1.745 60.367 62.100 0.019 0.000 1.042 290 T CB 2.180 71.058 68.868 0.018 0.000 1.037 290 T HN -0.152 nan 8.240 nan 0.000 0.481 291 P HA 0.303 nan 4.420 nan 0.000 0.274 291 P C -0.508 176.823 177.300 0.053 0.000 1.237 291 P CA -0.661 62.474 63.100 0.058 0.000 0.793 291 P CB 0.568 32.293 31.700 0.041 0.000 0.977 292 I N 2.660 123.270 120.570 0.067 0.000 2.352 292 I HA 0.044 4.214 4.170 -0.000 0.000 0.290 292 I C 1.280 177.373 176.117 -0.041 0.000 1.036 292 I CA 0.249 61.562 61.300 0.021 0.000 1.336 292 I CB 0.346 38.363 38.000 0.028 0.000 1.407 292 I HN 0.318 nan 8.210 nan 0.000 0.497 293 D N 4.954 125.352 120.400 -0.003 0.000 2.216 293 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 293 D C 0.043 176.375 176.300 0.053 0.000 0.960 293 D CA 1.377 55.385 54.000 0.014 0.000 0.861 293 D CB 0.428 41.250 40.800 0.037 0.000 0.985 293 D HN 0.512 nan 8.370 nan 0.000 0.493 294 Y N 0.247 120.493 120.300 -0.091 0.000 2.504 294 Y HA 0.490 5.040 4.550 -0.000 0.000 0.344 294 Y C -1.945 173.902 175.900 -0.089 0.000 1.023 294 Y CA -1.157 56.886 58.100 -0.096 0.000 1.020 294 Y CB 1.529 39.937 38.460 -0.087 0.000 1.282 294 Y HN -0.235 nan 8.280 nan 0.000 0.454 295 L N 6.955 127.570 121.223 -1.013 0.000 2.372 295 L HA 0.467 4.807 4.340 -0.000 0.000 0.274 295 L C -1.113 175.168 176.870 -0.982 0.000 0.988 295 L CA -0.517 53.864 54.840 -0.765 0.000 0.833 295 L CB 0.902 42.717 42.059 -0.407 0.000 1.236 295 L HN 0.789 nan 8.230 nan 0.000 0.410 296 N N 3.665 121.944 118.700 -0.702 0.000 2.482 296 N HA 0.096 4.836 4.740 -0.000 0.000 0.242 296 N C -0.267 175.146 175.510 -0.161 0.000 1.100 296 N CA -0.163 52.704 53.050 -0.305 0.000 0.946 296 N CB 0.923 39.400 38.487 -0.017 0.000 1.227 296 N HN 0.719 nan 8.380 nan 0.000 0.508 297 S N 2.637 118.280 115.700 -0.095 0.000 2.600 297 S HA -0.013 4.457 4.470 -0.000 0.000 0.265 297 S C 1.327 175.899 174.600 -0.046 0.000 1.325 297 S CA -0.193 57.995 58.200 -0.021 0.000 1.002 297 S CB 1.142 64.413 63.200 0.119 0.000 0.921 297 S HN 0.728 nan 8.310 nan 0.000 0.554 298 H N 2.027 120.996 119.070 -0.169 0.000 2.326 298 H HA 0.151 4.707 4.556 -0.000 0.000 0.301 298 H C 1.550 176.774 175.328 -0.173 0.000 1.081 298 H CA 1.337 57.242 56.048 -0.238 0.000 1.334 298 H CB -1.105 28.481 29.762 -0.292 0.000 1.385 298 H HN 1.065 nan 8.280 nan 0.000 0.504 299 G N 0.852 109.569 108.800 -0.138 0.000 2.394 299 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 299 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 299 G C 0.984 175.646 174.900 -0.396 0.000 0.282 299 G CA 0.969 45.913 45.100 -0.260 0.000 1.090 299 G HN 0.769 nan 8.290 nan 0.000 0.486 300 T N -1.200 113.121 114.554 -0.388 0.000 3.100 300 T HA 0.356 4.706 4.350 -0.000 0.000 0.253 300 T C 1.366 176.022 174.700 -0.073 0.000 1.118 300 T CA 1.003 62.908 62.100 -0.325 0.000 1.058 300 T CB 0.298 68.972 68.868 -0.324 0.000 0.953 300 T HN 1.860 nan 8.240 nan 0.000 0.515 301 S N 0.808 116.448 115.700 -0.101 0.000 3.807 301 S HA -0.132 4.338 4.470 -0.000 0.000 0.304 301 S C 0.212 174.850 174.600 0.064 0.000 1.152 301 S CA 0.568 58.740 58.200 -0.047 0.000 0.852 301 S CB -2.131 61.055 63.200 -0.023 0.000 0.924 301 S HN 1.239 nan 8.310 nan 0.000 0.545 302 T N -1.284 113.327 114.554 0.096 0.000 2.918 302 T HA 0.710 5.060 4.350 -0.000 0.000 0.286 302 T C -1.515 173.253 174.700 0.114 0.000 1.026 302 T CA -1.596 60.595 62.100 0.151 0.000 1.031 302 T CB 1.706 70.713 68.868 0.232 0.000 1.046 302 T HN -0.064 nan 8.240 nan 0.000 0.479 303 P HA -0.123 nan 4.420 nan 0.000 0.213 303 P C 1.664 179.021 177.300 0.094 0.000 1.170 303 P CA 0.701 63.856 63.100 0.093 0.000 0.902 303 P CB -0.029 31.723 31.700 0.087 0.000 0.789 304 V N -0.578 119.397 119.914 0.101 0.000 2.346 304 V HA -0.085 4.035 4.120 -0.000 0.000 0.244 304 V C 2.547 178.709 176.094 0.113 0.000 1.037 304 V CA 2.374 64.730 62.300 0.094 0.000 1.029 304 V CB -1.824 30.047 31.823 0.080 0.000 0.663 304 V HN 0.179 nan 8.190 nan 0.000 0.454 305 G N 0.012 108.899 108.800 0.145 0.000 2.459 305 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.217 305 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.217 305 G C 1.187 176.196 174.900 0.182 0.000 1.183 305 G CA 1.202 46.411 45.100 0.181 0.000 0.776 305 G HN 0.495 nan 8.290 nan 0.000 0.552 306 D N 0.047 120.535 120.400 0.147 0.000 2.149 306 D HA -0.116 4.524 4.640 -0.000 0.000 0.194 306 D C 2.679 179.130 176.300 0.252 0.000 1.001 306 D CA 0.891 54.993 54.000 0.171 0.000 0.849 306 D CB -0.473 40.377 40.800 0.083 0.000 0.939 306 D HN 0.229 nan 8.370 nan 0.000 0.449 307 V N 1.000 121.021 119.914 0.178 0.000 2.323 307 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 307 V C 2.307 178.468 176.094 0.112 0.000 1.041 307 V CA 1.343 63.726 62.300 0.139 0.000 1.025 307 V CB -0.261 31.622 31.823 0.099 0.000 0.656 307 V HN 0.192 nan 8.190 nan 0.000 0.451 308 K N 0.109 120.569 120.400 0.100 0.000 2.063 308 K HA -0.257 4.063 4.320 -0.000 0.000 0.208 308 K C 2.113 178.756 176.600 0.071 0.000 1.048 308 K CA 1.813 58.137 56.287 0.062 0.000 0.928 308 K CB -0.243 32.281 32.500 0.039 0.000 0.713 308 K HN 0.617 nan 8.250 nan 0.000 0.442 309 E N 1.328 121.614 120.200 0.144 0.000 2.072 309 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 309 E C 2.166 178.874 176.600 0.180 0.000 0.985 309 E CA 0.567 57.091 56.400 0.207 0.000 0.801 309 E CB 0.014 29.935 29.700 0.367 0.000 0.750 309 E HN 0.192 nan 8.360 nan 0.000 0.452 310 L N 0.492 121.814 121.223 0.165 0.000 2.046 310 L HA -0.167 4.172 4.340 -0.000 0.000 0.208 310 L C 2.703 179.615 176.870 0.070 0.000 1.077 310 L CA 1.079 55.976 54.840 0.095 0.000 0.747 310 L CB -0.490 41.600 42.059 0.052 0.000 0.896 310 L HN 0.246 nan 8.230 nan 0.000 0.432 311 A N 0.001 122.858 122.820 0.063 0.000 1.902 311 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 311 A C 2.522 180.129 177.584 0.037 0.000 1.181 311 A CA 1.771 53.832 52.037 0.040 0.000 0.623 311 A CB -0.692 18.325 19.000 0.028 0.000 0.818 311 A HN 0.413 nan 8.150 nan 0.000 0.443 312 A N -0.147 122.696 122.820 0.039 0.000 1.933 312 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 312 A C 2.108 179.732 177.584 0.066 0.000 1.175 312 A CA 1.487 53.537 52.037 0.023 0.000 0.628 312 A CB -0.602 18.394 19.000 -0.006 0.000 0.814 312 A HN 0.501 nan 8.150 nan 0.000 0.444 313 I N -0.869 119.781 120.570 0.133 0.000 2.226 313 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 313 I C 2.790 179.047 176.117 0.234 0.000 1.100 313 I CA 1.347 62.792 61.300 0.242 0.000 1.374 313 I CB -0.300 37.828 38.000 0.213 0.000 1.057 313 I HN 0.309 nan 8.210 nan 0.000 0.413 314 R N 0.232 120.806 120.500 0.123 0.000 2.075 314 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 314 R C 2.249 178.585 176.300 0.059 0.000 1.126 314 R CA 1.013 57.168 56.100 0.092 0.000 0.963 314 R CB -0.268 30.061 30.300 0.048 0.000 0.858 314 R HN 0.332 nan 8.270 nan 0.000 0.435 315 E N 0.424 120.639 120.200 0.025 0.000 2.085 315 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 315 E C 2.092 178.653 176.600 -0.063 0.000 0.994 315 E CA 1.313 57.703 56.400 -0.016 0.000 0.801 315 E CB 0.002 29.686 29.700 -0.027 0.000 0.743 315 E HN 0.127 nan 8.360 nan 0.000 0.453 316 V N -0.140 119.702 119.914 -0.120 0.000 2.346 316 V HA -0.170 3.950 4.120 -0.000 0.000 0.244 316 V C 1.975 177.809 176.094 -0.433 0.000 1.037 316 V CA 1.538 63.633 62.300 -0.342 0.000 1.029 316 V CB -0.461 31.016 31.823 -0.577 0.000 0.663 316 V HN 0.138 nan 8.190 nan 0.000 0.454 317 F N -0.147 119.803 119.950 0.000 0.000 2.656 317 F HA 0.449 4.976 4.527 -0.000 0.000 0.291 317 F C 1.973 177.771 175.800 -0.005 0.000 1.122 317 F CA 0.735 58.733 58.000 -0.003 0.000 1.427 317 F CB -0.413 38.584 39.000 -0.006 0.000 1.125 317 F HN 0.275 nan 8.300 nan 0.000 0.583 318 G N 1.024 109.908 108.800 0.141 0.000 2.677 318 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.321 318 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.321 318 G C 0.881 175.832 174.900 0.084 0.000 1.181 318 G CA 0.901 46.050 45.100 0.081 0.000 0.965 318 G HN 0.285 nan 8.290 nan 0.000 0.548 319 D N 0.952 121.394 120.400 0.069 0.000 2.367 319 D HA 0.073 4.713 4.640 -0.000 0.000 0.207 319 D C 1.550 177.881 176.300 0.052 0.000 1.034 319 D CA 0.369 54.398 54.000 0.049 0.000 0.861 319 D CB 0.204 41.023 40.800 0.031 0.000 0.943 319 D HN 0.357 nan 8.370 nan 0.000 0.515 320 K N 2.122 122.577 120.400 0.092 0.000 3.192 320 K HA 0.039 4.359 4.320 -0.000 0.000 0.269 320 K C -0.100 176.517 176.600 0.028 0.000 1.270 320 K CA -0.073 56.260 56.287 0.077 0.000 1.249 320 K CB -0.255 32.325 32.500 0.133 0.000 1.528 320 K HN -0.170 nan 8.250 nan 0.000 0.360 321 S N 2.778 118.470 115.700 -0.013 0.000 2.525 321 S HA 0.146 4.616 4.470 -0.000 0.000 0.285 321 S C -1.953 172.507 174.600 -0.234 0.000 1.283 321 S CA -1.021 57.101 58.200 -0.130 0.000 1.072 321 S CB 0.447 63.602 63.200 -0.075 0.000 0.867 321 S HN 0.365 nan 8.310 nan 0.000 0.492 322 P HA 0.325 nan 4.420 nan 0.000 0.279 322 P C -0.780 176.400 177.300 -0.199 0.000 1.282 322 P CA -0.664 62.239 63.100 -0.327 0.000 0.788 322 P CB 0.432 31.832 31.700 -0.500 0.000 1.139 323 A N 0.569 123.339 122.820 -0.084 0.000 2.462 323 A HA 0.429 4.749 4.320 -0.000 0.000 0.243 323 A C 0.264 177.841 177.584 -0.012 0.000 1.076 323 A CA -0.008 52.035 52.037 0.009 0.000 0.773 323 A CB -0.787 18.287 19.000 0.122 0.000 1.010 323 A HN 0.429 nan 8.150 nan 0.000 0.493 324 I N 1.560 122.128 120.570 -0.004 0.000 2.582 324 I HA 0.532 4.702 4.170 -0.000 0.000 0.292 324 I C -0.008 176.173 176.117 0.108 0.000 1.066 324 I CA -0.248 61.026 61.300 -0.042 0.000 1.053 324 I CB 2.484 40.419 38.000 -0.108 0.000 1.241 324 I HN 0.747 nan 8.210 nan 0.000 0.421 325 S N 3.894 119.696 115.700 0.171 0.000 2.533 325 S HA 0.833 5.303 4.470 -0.000 0.000 0.271 325 S C -1.054 173.663 174.600 0.195 0.000 1.143 325 S CA -0.781 57.560 58.200 0.235 0.000 0.891 325 S CB 1.973 65.334 63.200 0.268 0.000 1.105 325 S HN 0.800 nan 8.310 nan 0.000 0.468 326 A N 2.304 125.224 122.820 0.165 0.000 2.280 326 A HA 0.598 4.918 4.320 -0.000 0.000 0.320 326 A C 1.168 178.756 177.584 0.007 0.000 1.366 326 A CA -0.208 51.853 52.037 0.040 0.000 0.938 326 A CB -0.056 18.879 19.000 -0.107 0.000 1.157 326 A HN 1.382 nan 8.150 nan 0.000 0.536 327 T N -0.016 114.551 114.554 0.022 0.000 3.072 327 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 327 T C 1.314 175.986 174.700 -0.047 0.000 1.127 327 T CA 1.059 63.147 62.100 -0.020 0.000 1.107 327 T CB -0.256 68.594 68.868 -0.029 0.000 0.910 327 T HN 0.626 nan 8.240 nan 0.000 0.513 328 K N 1.066 121.428 120.400 -0.062 0.000 2.280 328 K HA 0.150 4.470 4.320 -0.000 0.000 0.202 328 K C 2.555 179.118 176.600 -0.061 0.000 1.047 328 K CA 0.883 57.123 56.287 -0.078 0.000 0.942 328 K CB -0.330 32.067 32.500 -0.172 0.000 0.739 328 K HN 0.496 nan 8.250 nan 0.000 0.457 329 A N 0.743 123.520 122.820 -0.072 0.000 2.070 329 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 329 A C 1.951 179.510 177.584 -0.041 0.000 1.159 329 A CA 1.299 53.300 52.037 -0.060 0.000 0.656 329 A CB -0.225 18.739 19.000 -0.060 0.000 0.800 329 A HN 0.200 nan 8.150 nan 0.000 0.453 330 M N -1.439 118.132 119.600 -0.048 0.000 2.556 330 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 330 M C 2.277 178.555 176.300 -0.037 0.000 1.163 330 M CA 1.609 56.879 55.300 -0.050 0.000 1.186 330 M CB 0.065 32.611 32.600 -0.089 0.000 1.321 330 M HN 0.573 nan 8.290 nan 0.000 0.485 331 T N -2.367 112.165 114.554 -0.036 0.000 3.051 331 T HA 0.441 4.791 4.350 -0.000 0.000 0.255 331 T C 1.039 175.760 174.700 0.035 0.000 1.085 331 T CA 0.465 62.564 62.100 -0.001 0.000 1.109 331 T CB 0.053 68.940 68.868 0.032 0.000 0.921 331 T HN 0.534 nan 8.240 nan 0.000 0.488 332 G N 1.056 109.881 108.800 0.043 0.000 2.757 332 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.638 332 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.638 332 G C -0.965 174.000 174.900 0.109 0.000 1.344 332 G CA -0.381 44.776 45.100 0.095 0.000 0.855 332 G HN 0.811 nan 8.290 nan 0.000 0.537 333 H N 0.712 119.791 119.070 0.014 0.000 2.641 333 H HA 0.607 5.163 4.556 -0.000 0.000 0.295 333 H C 1.575 176.832 175.328 -0.118 0.000 1.070 333 H CA -0.074 55.897 56.048 -0.128 0.000 1.257 333 H CB 0.718 30.274 29.762 -0.344 0.000 1.393 333 H HN 0.833 nan 8.280 nan 0.000 0.464 334 S N 4.809 120.604 115.700 0.158 0.000 2.710 334 S HA 0.121 4.591 4.470 -0.000 0.000 0.224 334 S C 1.350 175.912 174.600 -0.063 0.000 0.948 334 S CA 0.036 58.242 58.200 0.009 0.000 0.949 334 S CB -0.548 62.650 63.200 -0.003 0.000 0.778 334 S HN 0.728 nan 8.310 nan 0.000 0.498 335 L N -0.019 121.094 121.223 -0.184 0.000 4.782 335 L HA -0.354 3.986 4.340 -0.000 0.000 0.053 335 L C 2.266 179.111 176.870 -0.041 0.000 3.426 335 L CA 1.505 56.179 54.840 -0.276 0.000 1.357 335 L CB -2.042 39.806 42.059 -0.352 0.000 3.081 335 L HN 0.430 nan 8.230 nan 0.000 0.912 336 G N -1.145 107.634 108.800 -0.036 0.000 2.470 336 G HA2 0.061 4.021 3.960 -0.000 0.000 0.220 336 G HA3 0.061 4.021 3.960 -0.000 0.000 0.220 336 G C 1.212 176.116 174.900 0.007 0.000 1.121 336 G CA 1.198 46.303 45.100 0.008 0.000 0.766 336 G HN 0.849 nan 8.290 nan 0.000 0.553 337 A N 0.182 123.000 122.820 -0.004 0.000 2.275 337 A HA 0.680 5.000 4.320 -0.000 0.000 0.212 337 A C 2.466 180.020 177.584 -0.050 0.000 1.201 337 A CA 1.202 53.227 52.037 -0.021 0.000 0.843 337 A CB -0.131 18.859 19.000 -0.017 0.000 0.873 337 A HN 0.485 nan 8.150 nan 0.000 0.492 338 A N 0.096 122.903 122.820 -0.022 0.000 1.902 338 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 338 A C 2.317 179.844 177.584 -0.095 0.000 1.181 338 A CA 1.811 53.824 52.037 -0.040 0.000 0.623 338 A CB -1.236 17.775 19.000 0.018 0.000 0.818 338 A HN 0.659 nan 8.150 nan 0.000 0.443 339 G N -0.775 107.977 108.800 -0.079 0.000 2.459 339 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 339 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 339 G C 1.654 176.469 174.900 -0.143 0.000 1.183 339 G CA 1.375 46.410 45.100 -0.109 0.000 0.776 339 G HN 0.602 nan 8.290 nan 0.000 0.552 340 V N 0.019 119.849 119.914 -0.139 0.000 2.453 340 V HA -0.087 4.033 4.120 -0.000 0.000 0.247 340 V C 2.704 178.646 176.094 -0.253 0.000 1.048 340 V CA 2.378 64.578 62.300 -0.166 0.000 1.049 340 V CB -0.196 31.551 31.823 -0.126 0.000 0.672 340 V HN 0.501 nan 8.190 nan 0.000 0.457 341 Q N -0.368 119.250 119.800 -0.303 0.000 2.084 341 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 341 Q C 2.163 177.601 176.000 -0.936 0.000 0.978 341 Q CA 2.155 57.624 55.803 -0.557 0.000 0.844 341 Q CB -0.125 28.355 28.738 -0.430 0.000 0.898 341 Q HN 0.716 nan 8.270 nan 0.000 0.426 342 E N 0.180 120.057 120.200 -0.538 0.000 2.208 342 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 342 E C 1.778 178.254 176.600 -0.206 0.000 0.988 342 E CA 0.672 56.875 56.400 -0.328 0.000 0.828 342 E CB 0.022 29.662 29.700 -0.099 0.000 0.763 342 E HN 0.316 nan 8.360 nan 0.000 0.478 343 A N 0.835 123.525 122.820 -0.217 0.000 1.968 343 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 343 A C 2.077 179.567 177.584 -0.157 0.000 1.169 343 A CA 0.698 52.648 52.037 -0.145 0.000 0.638 343 A CB -0.292 18.622 19.000 -0.143 0.000 0.812 343 A HN 0.126 nan 8.150 nan 0.000 0.446 344 I N -1.476 118.942 120.570 -0.252 0.000 2.286 344 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 344 I C 2.171 178.246 176.117 -0.071 0.000 1.104 344 I CA 1.029 62.199 61.300 -0.216 0.000 1.397 344 I CB -0.375 37.467 38.000 -0.263 0.000 1.072 344 I HN 0.346 nan 8.210 nan 0.000 0.417 345 Y N 0.875 121.153 120.300 -0.037 0.000 2.224 345 Y HA -0.187 4.363 4.550 -0.000 0.000 0.289 345 Y C 2.928 178.805 175.900 -0.038 0.000 1.146 345 Y CA 0.758 58.846 58.100 -0.020 0.000 1.182 345 Y CB -1.306 37.149 38.460 -0.008 0.000 0.983 345 Y HN 0.110 nan 8.280 nan 0.000 0.524 346 S N -0.067 115.709 115.700 0.128 0.000 2.387 346 S HA -0.094 4.376 4.470 -0.000 0.000 0.226 346 S C 2.136 176.752 174.600 0.028 0.000 1.026 346 S CA 0.888 59.144 58.200 0.093 0.000 0.972 346 S CB -0.530 62.741 63.200 0.118 0.000 0.814 346 S HN 0.349 nan 8.310 nan 0.000 0.477 347 L N 0.987 122.214 121.223 0.006 0.000 2.141 347 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 347 L C 2.105 179.020 176.870 0.075 0.000 1.094 347 L CA 0.854 55.698 54.840 0.007 0.000 0.763 347 L CB -0.496 41.501 42.059 -0.103 0.000 0.908 347 L HN 0.287 nan 8.230 nan 0.000 0.437 348 L N -1.160 120.124 121.223 0.102 0.000 2.109 348 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 348 L C 2.578 179.574 176.870 0.209 0.000 1.086 348 L CA 1.151 56.151 54.840 0.266 0.000 0.760 348 L CB -0.302 41.928 42.059 0.284 0.000 0.910 348 L HN 0.300 nan 8.230 nan 0.000 0.437 349 M N -0.869 118.664 119.600 -0.113 0.000 2.132 349 M HA -0.201 4.279 4.480 -0.000 0.000 0.263 349 M C 2.270 178.446 176.300 -0.206 0.000 1.065 349 M CA 1.485 56.487 55.300 -0.497 0.000 1.122 349 M CB -0.242 31.911 32.600 -0.745 0.000 1.365 349 M HN 0.196 nan 8.290 nan 0.000 0.411 350 L N 0.596 121.769 121.223 -0.083 0.000 2.056 350 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 350 L C 2.236 179.106 176.870 -0.001 0.000 1.078 350 L CA 1.981 56.805 54.840 -0.026 0.000 0.749 350 L CB -0.525 41.542 42.059 0.013 0.000 0.901 350 L HN 0.216 nan 8.230 nan 0.000 0.433 351 E N -1.312 118.901 120.200 0.021 0.000 2.072 351 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 351 E C 1.853 178.315 176.600 -0.231 0.000 0.985 351 E CA 1.522 57.877 56.400 -0.076 0.000 0.801 351 E CB -0.099 29.586 29.700 -0.025 0.000 0.750 351 E HN 0.628 nan 8.360 nan 0.000 0.452 352 H N -1.421 117.746 119.070 0.163 0.000 2.551 352 H HA 0.271 4.827 4.556 -0.000 0.000 0.271 352 H C 0.679 176.143 175.328 0.227 0.000 0.984 352 H CA 0.606 56.781 56.048 0.211 0.000 1.164 352 H CB 0.750 30.700 29.762 0.313 0.000 1.437 352 H HN 0.295 nan 8.280 nan 0.000 0.550 353 G N 1.853 110.774 108.800 0.202 0.000 2.324 353 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.292 353 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.292 353 G C -0.187 174.840 174.900 0.212 0.000 1.079 353 G CA 0.641 45.824 45.100 0.137 0.000 1.026 353 G HN 0.515 nan 8.290 nan 0.000 0.506 354 F N -1.970 117.963 119.950 -0.028 0.000 2.686 354 F HA 0.834 5.361 4.527 -0.000 0.000 0.311 354 F C -0.773 174.931 175.800 -0.160 0.000 1.128 354 F CA -2.262 55.697 58.000 -0.068 0.000 0.946 354 F CB 1.249 40.222 39.000 -0.044 0.000 1.336 354 F HN 0.034 nan 8.300 nan 0.000 0.457 355 I N 2.697 123.134 120.570 -0.222 0.000 2.389 355 I HA 0.595 4.765 4.170 -0.000 0.000 0.288 355 I C 0.064 176.090 176.117 -0.151 0.000 0.999 355 I CA -1.061 59.964 61.300 -0.458 0.000 1.129 355 I CB 1.667 39.494 38.000 -0.289 0.000 1.288 355 I HN 0.962 nan 8.210 nan 0.000 0.444 356 A N 9.303 131.976 122.820 -0.245 0.000 2.425 356 A HA 0.496 4.816 4.320 -0.000 0.000 0.249 356 A C -2.317 175.286 177.584 0.032 0.000 1.084 356 A CA -1.044 51.022 52.037 0.048 0.000 0.781 356 A CB -0.301 18.709 19.000 0.016 0.000 1.019 356 A HN 0.431 nan 8.150 nan 0.000 0.490 357 P HA 0.112 nan 4.420 nan 0.000 0.274 357 P C -0.333 177.000 177.300 0.055 0.000 1.231 357 P CA -0.188 62.943 63.100 0.052 0.000 0.790 357 P CB 1.127 32.850 31.700 0.039 0.000 0.951 358 S N 2.343 118.088 115.700 0.075 0.000 2.464 358 S HA 0.374 4.844 4.470 -0.000 0.000 0.313 358 S C 0.597 175.232 174.600 0.059 0.000 1.078 358 S CA -0.860 57.392 58.200 0.087 0.000 1.096 358 S CB -1.390 61.908 63.200 0.162 0.000 1.032 358 S HN 0.350 nan 8.310 nan 0.000 0.498 359 I N 2.039 122.624 120.570 0.025 0.000 3.156 359 I HA 0.478 4.648 4.170 -0.000 0.000 0.306 359 I C 0.456 176.573 176.117 0.001 0.000 1.048 359 I CA -0.509 60.797 61.300 0.011 0.000 1.207 359 I CB 0.284 38.281 38.000 -0.005 0.000 1.456 359 I HN 0.530 nan 8.210 nan 0.000 0.616 360 N N 0.675 119.372 118.700 -0.006 0.000 2.753 360 N HA -0.181 4.559 4.740 -0.000 0.000 0.251 360 N C -0.506 175.002 175.510 -0.004 0.000 1.097 360 N CA 1.068 54.106 53.050 -0.021 0.000 0.786 360 N CB -1.609 36.841 38.487 -0.063 0.000 1.137 360 N HN 0.612 nan 8.380 nan 0.000 0.566 361 I N 1.274 121.859 120.570 0.026 0.000 2.294 361 I HA 0.036 4.206 4.170 -0.000 0.000 0.295 361 I C 1.433 177.578 176.117 0.046 0.000 1.098 361 I CA 0.061 61.389 61.300 0.047 0.000 1.277 361 I CB 0.528 38.574 38.000 0.077 0.000 1.434 361 I HN 0.033 nan 8.210 nan 0.000 0.498 362 E N 3.906 124.140 120.200 0.056 0.000 2.190 362 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 362 E C 0.474 177.119 176.600 0.075 0.000 0.978 362 E CA 0.542 56.983 56.400 0.069 0.000 0.839 362 E CB 0.490 30.245 29.700 0.092 0.000 0.787 362 E HN 0.542 nan 8.360 nan 0.000 0.473 363 E N 1.064 121.308 120.200 0.075 0.000 2.343 363 E HA 0.146 4.496 4.350 -0.000 0.000 0.260 363 E C -1.391 175.222 176.600 0.022 0.000 0.908 363 E CA -0.594 55.837 56.400 0.053 0.000 0.814 363 E CB 0.961 30.706 29.700 0.075 0.000 1.302 363 E HN -0.060 nan 8.360 nan 0.000 0.408 364 L N 4.093 125.333 121.223 0.028 0.000 2.499 364 L HA 0.078 4.418 4.340 -0.000 0.000 0.273 364 L C 0.336 177.215 176.870 0.014 0.000 1.195 364 L CA 0.668 55.526 54.840 0.030 0.000 0.882 364 L CB 0.580 42.650 42.059 0.019 0.000 1.133 364 L HN 0.597 nan 8.230 nan 0.000 0.483 365 D N 3.241 123.659 120.400 0.030 0.000 2.419 365 D HA -0.064 4.576 4.640 -0.000 0.000 0.236 365 D C 0.754 177.060 176.300 0.010 0.000 1.165 365 D CA 0.201 54.213 54.000 0.020 0.000 0.882 365 D CB 0.886 41.724 40.800 0.064 0.000 1.201 365 D HN 0.701 nan 8.370 nan 0.000 0.443 366 E N 1.447 121.651 120.200 0.006 0.000 2.072 366 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 366 E C 1.700 178.302 176.600 0.003 0.000 0.985 366 E CA 0.819 57.222 56.400 0.004 0.000 0.801 366 E CB 0.053 29.757 29.700 0.007 0.000 0.750 366 E HN 0.537 nan 8.360 nan 0.000 0.452 367 Q N -0.117 119.690 119.800 0.011 0.000 2.500 367 Q HA -0.009 4.331 4.340 -0.000 0.000 0.213 367 Q C 1.640 177.633 176.000 -0.011 0.000 0.974 367 Q CA 0.654 56.462 55.803 0.009 0.000 0.918 367 Q CB 0.152 28.905 28.738 0.026 0.000 0.980 367 Q HN 0.201 nan 8.270 nan 0.000 0.505 368 A N 0.617 123.418 122.820 -0.031 0.000 2.238 368 A HA 0.356 4.676 4.320 -0.000 0.000 0.210 368 A C 1.018 178.554 177.584 -0.080 0.000 1.179 368 A CA 0.131 52.109 52.037 -0.098 0.000 0.827 368 A CB 0.100 19.011 19.000 -0.148 0.000 0.856 368 A HN 0.285 nan 8.150 nan 0.000 0.488 369 A N -0.673 122.122 122.820 -0.041 0.000 2.565 369 A HA 0.416 4.736 4.320 -0.000 0.000 0.237 369 A C 1.643 179.209 177.584 -0.031 0.000 1.053 369 A CA 0.789 52.808 52.037 -0.030 0.000 0.755 369 A CB -0.646 18.345 19.000 -0.014 0.000 0.980 369 A HN 1.968 nan 8.150 nan 0.000 0.506 370 G N 0.936 109.718 108.800 -0.029 0.000 2.195 370 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.246 370 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.246 370 G C 0.072 174.951 174.900 -0.035 0.000 0.984 370 G CA 0.372 45.458 45.100 -0.024 0.000 0.633 370 G HN 0.817 nan 8.290 nan 0.000 0.525 371 L N 0.224 121.412 121.223 -0.058 0.000 2.344 371 L HA 0.509 4.849 4.340 -0.000 0.000 0.272 371 L C 0.436 177.259 176.870 -0.079 0.000 1.035 371 L CA -1.109 53.684 54.840 -0.078 0.000 0.807 371 L CB 1.288 43.276 42.059 -0.118 0.000 1.237 371 L HN 0.065 nan 8.230 nan 0.000 0.442 372 N N 2.631 121.284 118.700 -0.078 0.000 2.968 372 N HA 0.236 4.976 4.740 -0.000 0.000 0.271 372 N C -0.720 174.755 175.510 -0.058 0.000 1.174 372 N CA -0.039 52.977 53.050 -0.057 0.000 1.096 372 N CB -0.273 38.186 38.487 -0.047 0.000 1.403 372 N HN 0.405 nan 8.380 nan 0.000 0.522 373 I N 2.344 122.872 120.570 -0.070 0.000 2.322 373 I HA 0.104 4.274 4.170 -0.000 0.000 0.292 373 I C 0.083 176.204 176.117 0.006 0.000 1.060 373 I CA -0.756 60.511 61.300 -0.055 0.000 1.309 373 I CB 1.005 38.928 38.000 -0.128 0.000 1.415 373 I HN -0.044 nan 8.210 nan 0.000 0.492 374 V N 5.971 125.911 119.914 0.044 0.000 2.479 374 V HA 0.027 4.147 4.120 -0.000 0.000 0.281 374 V C 1.273 177.403 176.094 0.059 0.000 1.031 374 V CA 0.187 62.518 62.300 0.052 0.000 1.038 374 V CB 0.887 32.750 31.823 0.066 0.000 0.981 374 V HN 0.902 nan 8.190 nan 0.000 0.478 375 T N 0.601 115.182 114.554 0.044 0.000 3.085 375 T HA 0.316 4.666 4.350 -0.000 0.000 0.264 375 T C 0.126 174.847 174.700 0.034 0.000 1.019 375 T CA -0.237 61.890 62.100 0.044 0.000 0.910 375 T CB -0.211 68.680 68.868 0.039 0.000 1.059 375 T HN 0.834 nan 8.240 nan 0.000 0.542 376 E N 0.067 120.287 120.200 0.033 0.000 2.352 376 E HA 0.382 4.732 4.350 -0.000 0.000 0.280 376 E C -1.475 175.147 176.600 0.036 0.000 0.930 376 E CA -1.122 55.294 56.400 0.027 0.000 0.765 376 E CB 0.708 30.419 29.700 0.019 0.000 1.219 376 E HN -0.079 nan 8.360 nan 0.000 0.434 377 T N 2.333 116.910 114.554 0.038 0.000 2.866 377 T HA 0.150 4.500 4.350 -0.000 0.000 0.293 377 T C 0.044 174.780 174.700 0.060 0.000 1.005 377 T CA 0.758 62.899 62.100 0.068 0.000 1.162 377 T CB 0.122 69.007 68.868 0.028 0.000 0.968 377 T HN 0.566 nan 8.240 nan 0.000 0.530 378 T N 1.382 115.988 114.554 0.086 0.000 2.879 378 T HA 0.325 4.675 4.350 -0.000 0.000 0.290 378 T C -0.975 173.779 174.700 0.089 0.000 0.993 378 T CA -1.161 60.976 62.100 0.061 0.000 0.975 378 T CB 1.216 70.105 68.868 0.035 0.000 0.981 378 T HN 0.373 nan 8.240 nan 0.000 0.439 379 D N 2.836 123.281 120.400 0.075 0.000 2.350 379 D HA 0.493 5.133 4.640 -0.000 0.000 0.249 379 D C 0.233 176.567 176.300 0.057 0.000 1.119 379 D CA 0.040 54.094 54.000 0.091 0.000 0.886 379 D CB 1.326 42.163 40.800 0.062 0.000 1.195 379 D HN 0.642 nan 8.370 nan 0.000 0.437 380 R N 0.912 121.445 120.500 0.054 0.000 2.644 380 R HA 0.104 4.444 4.340 -0.000 0.000 0.257 380 R C -1.418 174.893 176.300 0.018 0.000 1.082 380 R CA -0.505 55.609 56.100 0.024 0.000 0.927 380 R CB 1.201 31.503 30.300 0.005 0.000 1.258 380 R HN 0.226 nan 8.270 nan 0.000 0.459 381 E N 3.975 124.184 120.200 0.015 0.000 2.257 381 E HA 0.227 4.577 4.350 -0.000 0.000 0.278 381 E C -0.485 176.117 176.600 0.003 0.000 1.049 381 E CA -0.115 56.292 56.400 0.012 0.000 0.876 381 E CB 0.795 30.502 29.700 0.012 0.000 1.035 381 E HN 0.327 nan 8.360 nan 0.000 0.419 382 L N 2.216 123.436 121.223 -0.005 0.000 2.334 382 L HA 0.356 4.696 4.340 -0.000 0.000 0.272 382 L C 0.915 177.788 176.870 0.005 0.000 1.020 382 L CA -0.323 54.515 54.840 -0.003 0.000 0.812 382 L CB 1.806 43.850 42.059 -0.024 0.000 1.264 382 L HN 0.559 nan 8.230 nan 0.000 0.439 383 T N -1.525 113.037 114.554 0.014 0.000 3.115 383 T HA 0.094 4.444 4.350 -0.000 0.000 0.256 383 T C 0.210 174.922 174.700 0.020 0.000 0.970 383 T CA 0.283 62.391 62.100 0.013 0.000 1.010 383 T CB 0.707 69.581 68.868 0.011 0.000 1.151 383 T HN 0.573 nan 8.240 nan 0.000 0.479 384 T N 3.123 117.694 114.554 0.029 0.000 2.840 384 T HA 0.678 5.028 4.350 -0.000 0.000 0.287 384 T C -0.698 174.031 174.700 0.048 0.000 0.991 384 T CA -0.683 61.438 62.100 0.035 0.000 0.964 384 T CB 1.905 70.794 68.868 0.035 0.000 0.954 384 T HN 0.236 nan 8.240 nan 0.000 0.438 385 V N 1.309 121.256 119.914 0.054 0.000 2.769 385 V HA 0.846 4.966 4.120 -0.000 0.000 0.312 385 V C -0.595 175.515 176.094 0.028 0.000 1.061 385 V CA -1.192 61.151 62.300 0.070 0.000 0.931 385 V CB 2.107 34.019 31.823 0.147 0.000 1.010 385 V HN 0.963 nan 8.190 nan 0.000 0.433 386 M N 3.091 122.675 119.600 -0.027 0.000 2.535 386 M HA 0.746 5.226 4.480 -0.000 0.000 0.314 386 M C -0.896 175.351 176.300 -0.089 0.000 1.153 386 M CA -0.298 54.984 55.300 -0.030 0.000 0.924 386 M CB 2.212 34.818 32.600 0.010 0.000 1.710 386 M HN 0.982 nan 8.290 nan 0.000 0.451 387 S N 3.187 118.847 115.700 -0.066 0.000 2.672 387 S HA 0.568 5.038 4.470 -0.000 0.000 0.291 387 S C -1.462 173.053 174.600 -0.141 0.000 1.145 387 S CA -0.794 57.345 58.200 -0.102 0.000 1.013 387 S CB 0.976 64.131 63.200 -0.075 0.000 1.017 387 S HN 0.838 nan 8.310 nan 0.000 0.487 388 N N 2.070 120.637 118.700 -0.221 0.000 2.456 388 N HA 0.569 5.309 4.740 -0.000 0.000 0.296 388 N C -1.287 173.875 175.510 -0.579 0.000 1.102 388 N CA -0.394 52.376 53.050 -0.468 0.000 0.924 388 N CB 1.825 39.937 38.487 -0.624 0.000 1.186 388 N HN 0.482 nan 8.380 nan 0.000 0.492 389 S N 1.499 116.721 115.700 -0.796 0.000 2.776 389 S HA 0.480 4.950 4.470 -0.000 0.000 0.284 389 S C -1.398 172.801 174.600 -0.669 0.000 1.160 389 S CA -0.587 57.258 58.200 -0.592 0.000 1.051 389 S CB 0.208 63.239 63.200 -0.282 0.000 1.037 389 S HN 0.271 nan 8.310 nan 0.000 0.485 390 F N 1.743 121.261 119.950 -0.720 0.000 2.427 390 F HA 0.717 5.244 4.527 -0.000 0.000 0.348 390 F C 0.812 176.404 175.800 -0.346 0.000 1.125 390 F CA -1.003 56.716 58.000 -0.468 0.000 0.989 390 F CB 1.459 40.208 39.000 -0.419 0.000 1.165 390 F HN 0.604 nan 8.300 nan 0.000 0.442 391 G N 1.994 110.873 108.800 0.132 0.000 2.537 391 G HA2 0.543 4.503 3.960 -0.000 0.000 0.323 391 G HA3 0.543 4.503 3.960 -0.000 0.000 0.323 391 G C -0.761 174.371 174.900 0.385 0.000 1.207 391 G CA -0.818 44.414 45.100 0.221 0.000 0.976 391 G HN 0.438 nan 8.290 nan 0.000 0.487 392 F N -0.115 119.928 119.950 0.155 0.000 2.595 392 F HA 0.276 4.803 4.527 -0.000 0.000 0.359 392 F C 1.696 177.560 175.800 0.107 0.000 1.147 392 F CA 1.252 59.338 58.000 0.142 0.000 1.341 392 F CB 0.890 39.991 39.000 0.169 0.000 1.104 392 F HN 0.814 nan 8.300 nan 0.000 0.603 393 G N 1.206 110.137 108.800 0.218 0.000 2.157 393 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.248 393 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.248 393 G C 0.672 175.632 174.900 0.100 0.000 0.979 393 G CA 0.052 45.232 45.100 0.133 0.000 0.650 393 G HN 1.781 nan 8.290 nan 0.000 0.529 394 G N -1.097 107.768 108.800 0.108 0.000 2.246 394 G HA2 0.100 4.060 3.960 -0.000 0.000 0.273 394 G HA3 0.100 4.060 3.960 -0.000 0.000 0.273 394 G C 0.329 175.280 174.900 0.086 0.000 1.055 394 G CA 1.384 46.526 45.100 0.070 0.000 0.851 394 G HN 2.014 nan 8.290 nan 0.000 0.500 395 T N 0.364 115.005 114.554 0.144 0.000 2.758 395 T HA 0.579 4.929 4.350 -0.000 0.000 0.285 395 T C 0.046 174.890 174.700 0.240 0.000 0.981 395 T CA -0.626 61.584 62.100 0.182 0.000 0.965 395 T CB 0.356 69.347 68.868 0.205 0.000 0.927 395 T HN 0.326 nan 8.240 nan 0.000 0.448 396 N N 2.943 121.790 118.700 0.245 0.000 2.319 396 N HA 0.742 5.481 4.740 -0.000 0.000 0.305 396 N C -1.202 174.430 175.510 0.204 0.000 1.103 396 N CA -0.679 52.557 53.050 0.310 0.000 0.815 396 N CB 2.114 40.768 38.487 0.279 0.000 1.288 396 N HN 0.756 nan 8.380 nan 0.000 0.493 397 A N 0.582 123.442 122.820 0.067 0.000 2.488 397 A HA 0.713 5.033 4.320 -0.000 0.000 0.298 397 A C -0.944 176.607 177.584 -0.054 0.000 1.044 397 A CA -0.513 51.477 52.037 -0.078 0.000 0.693 397 A CB 1.359 20.101 19.000 -0.430 0.000 1.272 397 A HN 0.458 nan 8.150 nan 0.000 0.402 398 T N 2.416 116.989 114.554 0.032 0.000 2.921 398 T HA 0.598 4.948 4.350 -0.000 0.000 0.297 398 T C -0.867 173.893 174.700 0.099 0.000 1.013 398 T CA -0.244 61.871 62.100 0.026 0.000 0.990 398 T CB 0.899 69.807 68.868 0.066 0.000 1.023 398 T HN 0.506 nan 8.240 nan 0.000 0.447 399 L N 2.792 124.046 121.223 0.052 0.000 2.346 399 L HA 0.798 5.138 4.340 -0.000 0.000 0.276 399 L C -0.789 176.107 176.870 0.043 0.000 1.006 399 L CA -1.141 53.739 54.840 0.068 0.000 0.817 399 L CB 2.011 44.072 42.059 0.004 0.000 1.272 399 L HN 0.332 nan 8.230 nan 0.000 0.421 400 V N 3.836 123.784 119.914 0.058 0.000 2.487 400 V HA 0.524 4.644 4.120 -0.000 0.000 0.298 400 V C -0.196 175.919 176.094 0.035 0.000 1.028 400 V CA -0.362 61.967 62.300 0.048 0.000 0.860 400 V CB 1.841 33.701 31.823 0.062 0.000 0.991 400 V HN 0.717 nan 8.190 nan 0.000 0.427 401 M N 4.924 124.539 119.600 0.026 0.000 2.393 401 M HA 0.661 5.141 4.480 -0.000 0.000 0.316 401 M C -0.573 175.741 176.300 0.023 0.000 1.087 401 M CA -0.410 54.900 55.300 0.018 0.000 0.937 401 M CB 2.686 35.291 32.600 0.008 0.000 1.668 401 M HN 0.583 nan 8.290 nan 0.000 0.438 402 R N 1.392 121.902 120.500 0.016 0.000 2.744 402 R HA 0.479 4.819 4.340 -0.000 0.000 0.279 402 R C -1.093 175.211 176.300 0.005 0.000 0.977 402 R CA -0.810 55.298 56.100 0.014 0.000 0.906 402 R CB 1.966 32.275 30.300 0.014 0.000 1.197 402 R HN 0.623 nan 8.270 nan 0.000 0.463 403 K N 2.310 122.712 120.400 0.002 0.000 2.436 403 K HA 0.023 4.343 4.320 -0.000 0.000 0.275 403 K C -0.502 176.088 176.600 -0.017 0.000 0.999 403 K CA -0.028 56.253 56.287 -0.010 0.000 0.980 403 K CB 0.493 32.986 32.500 -0.011 0.000 0.919 403 K HN 0.284 nan 8.250 nan 0.000 0.484 404 L N 4.210 125.414 121.223 -0.032 0.000 2.265 404 L HA 0.124 4.464 4.340 -0.000 0.000 0.288 404 L C -0.678 176.172 176.870 -0.033 0.000 1.058 404 L CA -0.306 54.514 54.840 -0.033 0.000 0.809 404 L CB 0.681 42.713 42.059 -0.046 0.000 1.179 404 L HN 0.369 nan 8.230 nan 0.000 0.429 405 K N 5.285 125.672 120.400 -0.023 0.000 1.953 405 K HA -0.115 4.205 4.320 -0.000 0.000 0.236 405 K C 0.235 176.820 176.600 -0.025 0.000 1.294 405 K CA 1.078 57.353 56.287 -0.020 0.000 1.409 405 K CB -1.535 30.956 32.500 -0.015 0.000 0.816 405 K HN 0.829 nan 8.250 nan 0.000 0.419 406 D N 0.000 120.383 120.400 -0.028 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.982 54.000 -0.031 0.000 0.868 406 D CB 0.000 40.788 40.800 -0.021 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683