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 3ami_1_B DATA FIRST_RESID 29 DATA SEQUENCE PAASTFETTL PNGLKVVVRE DHRAPTLVHM VWYRVGSMDE TTGTTGVAHA DATA SEQUENCE LEHMMFKGTK DVGPGEFSKR VAAMGGRDNA FTTRDYTAYY QQVPSSRLSD DATA SEQUENCE VMGLEADRMA NLVVDDELFK KEIQVIAEER RWRTDDKPRS KAYEALMAAS DATA SEQUENCE YVAHPYRVPV IGWMNDIQNM TAQDVRDWYK RWYGPNNATV VVVGDVEHEA DATA SEQUENCE VFRLAEQTYG KLARVEAPAR KQQGEPQQAG VRRVTVKAPA ELPYLALAWH DATA SEQUENCE VPAIVDLDKS RDAYALEILA AVLDGYDGAR MTRQLVRGNK HAVSAGAGYD DATA SEQUENCE SLSRGQQGLF ILEGVPSKGV TIAQLETDLR AQVRDIAAKG VTEAELSRVK DATA SEQUENCE SQMVAGKVYE QDSLMGQATQ IGGLEVLGLS WRDDDRFYQQ LRSVTAAEVK DATA SEQUENCE AAAARLLTDD TLTVANLVPL PP 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 29 P HA 0.000 nan 4.420 nan 0.000 0.216 29 P C 0.000 177.261 177.300 -0.064 0.000 1.155 29 P CA 0.000 63.074 63.100 -0.043 0.000 0.800 29 P CB 0.000 31.695 31.700 -0.007 0.000 0.726 30 A N 0.784 123.613 122.820 0.015 0.000 1.930 30 A HA 0.296 4.615 4.320 -0.002 0.000 0.217 30 A C 2.217 179.767 177.584 -0.056 0.000 1.175 30 A CA 2.605 54.700 52.037 0.095 0.000 0.627 30 A CB -1.227 17.880 19.000 0.178 0.000 0.815 30 A HN 0.479 nan 8.150 nan 0.000 0.443 31 A N 0.067 122.842 122.820 -0.074 0.000 2.172 31 A HA 0.077 4.396 4.320 -0.002 0.000 0.216 31 A C 1.778 179.224 177.584 -0.229 0.000 1.154 31 A CA 1.629 53.594 52.037 -0.120 0.000 0.701 31 A CB -0.549 18.429 19.000 -0.037 0.000 0.789 31 A HN 0.928 nan 8.150 nan 0.000 0.465 32 S N -1.250 114.300 115.700 -0.249 0.000 2.651 32 S HA 0.287 4.756 4.470 -0.002 0.000 0.246 32 S C -0.004 174.368 174.600 -0.380 0.000 1.039 32 S CA -0.268 57.810 58.200 -0.203 0.000 1.013 32 S CB -0.040 63.143 63.200 -0.029 0.000 0.861 32 S HN 0.178 nan 8.310 nan 0.000 0.485 33 T N 2.439 116.541 114.554 -0.752 0.000 2.807 33 T HA 0.720 5.069 4.350 -0.002 0.000 0.279 33 T C -1.026 173.097 174.700 -0.961 0.000 0.993 33 T CA -0.307 61.312 62.100 -0.801 0.000 0.970 33 T CB 0.709 68.820 68.868 -1.262 0.000 0.950 33 T HN 0.255 nan 8.240 nan 0.000 0.441 34 F N 1.172 121.001 119.950 -0.203 0.000 2.588 34 F HA 0.639 5.165 4.527 -0.002 0.000 0.314 34 F C 0.224 176.160 175.800 0.226 0.000 1.069 34 F CA -1.099 56.918 58.000 0.027 0.000 0.931 34 F CB 1.986 40.951 39.000 -0.058 0.000 1.260 34 F HN 0.623 nan 8.300 nan 0.000 0.465 35 E N -0.498 119.978 120.200 0.459 0.000 2.413 35 E HA 0.741 5.090 4.350 -0.002 0.000 0.277 35 E C -1.745 174.791 176.600 -0.106 0.000 0.958 35 E CA -0.929 55.612 56.400 0.236 0.000 0.779 35 E CB 2.696 32.530 29.700 0.224 0.000 1.278 35 E HN 0.536 nan 8.360 nan 0.000 0.456 36 T N 0.333 114.667 114.554 -0.365 0.000 2.889 36 T HA 0.438 4.787 4.350 -0.002 0.000 0.315 36 T C -1.498 173.053 174.700 -0.247 0.000 1.291 36 T CA -0.417 61.418 62.100 -0.441 0.000 1.028 36 T CB 2.048 70.366 68.868 -0.917 0.000 1.235 36 T HN 0.496 nan 8.240 nan 0.000 0.491 37 T N 3.953 118.410 114.554 -0.161 0.000 2.786 37 T HA 0.558 4.907 4.350 -0.002 0.000 0.283 37 T C 0.092 174.742 174.700 -0.084 0.000 0.992 37 T CA -0.579 61.462 62.100 -0.098 0.000 0.954 37 T CB 0.613 69.445 68.868 -0.060 0.000 0.934 37 T HN 0.427 nan 8.240 nan 0.000 0.440 38 L N 4.242 125.429 121.223 -0.061 0.000 2.464 38 L HA 0.226 4.565 4.340 -0.002 0.000 0.264 38 L C -1.135 175.726 176.870 -0.015 0.000 1.199 38 L CA -1.971 52.851 54.840 -0.029 0.000 0.818 38 L CB 0.388 42.450 42.059 0.005 0.000 1.102 38 L HN 0.396 nan 8.230 nan 0.000 0.473 39 P HA -0.145 nan 4.420 nan 0.000 0.223 39 P C 0.537 177.839 177.300 0.004 0.000 1.144 39 P CA 1.279 64.379 63.100 -0.000 0.000 0.783 39 P CB -0.100 31.604 31.700 0.007 0.000 0.771 40 N N -2.219 116.487 118.700 0.010 0.000 2.270 40 N HA 0.124 4.863 4.740 -0.002 0.000 0.198 40 N C 1.072 176.586 175.510 0.006 0.000 1.117 40 N CA 0.447 53.505 53.050 0.013 0.000 0.845 40 N CB -0.156 38.348 38.487 0.028 0.000 0.980 40 N HN 0.036 nan 8.380 nan 0.000 0.486 41 G N 0.531 109.328 108.800 -0.005 0.000 2.175 41 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.244 41 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.244 41 G C -0.180 174.704 174.900 -0.027 0.000 0.982 41 G CA -0.153 44.939 45.100 -0.013 0.000 0.641 41 G HN 0.344 nan 8.290 nan 0.000 0.527 42 L N 1.293 122.497 121.223 -0.032 0.000 2.410 42 L HA 0.549 4.888 4.340 -0.002 0.000 0.273 42 L C 0.556 177.378 176.870 -0.080 0.000 1.144 42 L CA 0.327 55.125 54.840 -0.070 0.000 0.863 42 L CB 0.781 42.796 42.059 -0.073 0.000 1.140 42 L HN 0.303 nan 8.230 nan 0.000 0.463 43 K N 3.688 124.032 120.400 -0.092 0.000 2.172 43 K HA 0.514 4.833 4.320 -0.002 0.000 0.276 43 K C -1.211 175.341 176.600 -0.079 0.000 1.013 43 K CA -0.571 55.669 56.287 -0.078 0.000 0.913 43 K CB 1.301 33.766 32.500 -0.057 0.000 1.055 43 K HN 0.502 nan 8.250 nan 0.000 0.461 44 V N 4.572 124.460 119.914 -0.043 0.000 2.487 44 V HA 0.383 4.502 4.120 -0.002 0.000 0.298 44 V C -0.873 175.299 176.094 0.129 0.000 1.028 44 V CA -0.952 61.380 62.300 0.054 0.000 0.860 44 V CB 1.748 33.669 31.823 0.164 0.000 0.991 44 V HN 0.505 nan 8.190 nan 0.000 0.427 45 V N 5.364 125.343 119.914 0.108 0.000 2.487 45 V HA 0.554 4.673 4.120 -0.002 0.000 0.298 45 V C -0.371 175.762 176.094 0.065 0.000 1.028 45 V CA -0.595 61.744 62.300 0.065 0.000 0.860 45 V CB 2.014 33.783 31.823 -0.089 0.000 0.991 45 V HN 0.607 nan 8.190 nan 0.000 0.427 46 V N 4.999 124.978 119.914 0.109 0.000 2.495 46 V HA 0.604 4.723 4.120 -0.002 0.000 0.298 46 V C -0.167 175.915 176.094 -0.020 0.000 1.031 46 V CA -0.809 61.527 62.300 0.059 0.000 0.871 46 V CB 1.953 33.801 31.823 0.043 0.000 0.988 46 V HN 0.868 nan 8.190 nan 0.000 0.432 47 R N 3.036 123.490 120.500 -0.077 0.000 2.337 47 R HA 0.412 4.751 4.340 -0.002 0.000 0.319 47 R C -0.315 175.933 176.300 -0.087 0.000 0.954 47 R CA -0.275 55.748 56.100 -0.128 0.000 0.840 47 R CB 0.977 31.161 30.300 -0.193 0.000 1.164 47 R HN 0.784 nan 8.270 nan 0.000 0.472 48 E N 2.777 122.946 120.200 -0.052 0.000 2.217 48 E HA 0.057 4.406 4.350 -0.002 0.000 0.279 48 E C -0.878 175.526 176.600 -0.326 0.000 1.068 48 E CA 0.069 56.358 56.400 -0.186 0.000 0.882 48 E CB 0.922 30.593 29.700 -0.047 0.000 1.039 48 E HN 0.381 nan 8.360 nan 0.000 0.418 49 D N 2.262 122.406 120.400 -0.427 0.000 2.476 49 D HA 0.097 4.736 4.640 -0.002 0.000 0.251 49 D C -0.364 175.745 176.300 -0.318 0.000 1.291 49 D CA -0.521 53.295 54.000 -0.307 0.000 0.939 49 D CB 0.551 41.264 40.800 -0.145 0.000 1.221 49 D HN 0.495 nan 8.370 nan 0.000 0.567 50 H N 2.858 121.931 119.070 0.005 0.000 2.519 50 H HA 0.207 4.762 4.556 -0.002 0.000 0.289 50 H C 1.381 176.709 175.328 -0.000 0.000 1.040 50 H CA -0.003 56.046 56.048 0.002 0.000 1.165 50 H CB 0.672 30.436 29.762 0.003 0.000 1.462 50 H HN 0.324 nan 8.280 nan 0.000 0.555 51 R N 0.822 121.358 120.500 0.060 0.000 2.070 51 R HA 0.048 4.387 4.340 -0.002 0.000 0.233 51 R C 0.844 177.164 176.300 0.035 0.000 1.137 51 R CA 1.336 57.459 56.100 0.038 0.000 0.945 51 R CB 0.294 30.599 30.300 0.008 0.000 0.845 51 R HN 0.129 nan 8.270 nan 0.000 0.430 52 A N 0.431 123.269 122.820 0.029 0.000 2.384 52 A HA 0.461 4.780 4.320 -0.002 0.000 0.312 52 A C -2.341 175.266 177.584 0.038 0.000 1.113 52 A CA -1.651 50.403 52.037 0.027 0.000 0.779 52 A CB 1.207 20.216 19.000 0.015 0.000 1.307 52 A HN -0.010 nan 8.150 nan 0.000 0.436 53 P HA 0.160 nan 4.420 nan 0.000 0.226 53 P C -0.158 177.161 177.300 0.031 0.000 1.758 53 P CA 0.326 63.448 63.100 0.037 0.000 0.896 53 P CB -0.508 31.207 31.700 0.025 0.000 1.784 54 T N -1.172 113.401 114.554 0.032 0.000 2.864 54 T HA 0.775 5.124 4.350 -0.002 0.000 0.289 54 T C -0.493 174.229 174.700 0.037 0.000 1.082 54 T CA -0.830 61.290 62.100 0.033 0.000 1.009 54 T CB 1.803 70.690 68.868 0.032 0.000 1.234 54 T HN 0.063 nan 8.240 nan 0.000 0.526 55 L N -1.624 119.630 121.223 0.052 0.000 2.479 55 L HA 0.936 5.275 4.340 -0.002 0.000 0.255 55 L C -1.475 175.456 176.870 0.102 0.000 1.026 55 L CA -1.237 53.641 54.840 0.064 0.000 0.842 55 L CB 1.452 43.551 42.059 0.067 0.000 1.444 55 L HN 0.546 nan 8.230 nan 0.000 0.409 56 V N 1.223 121.206 119.914 0.116 0.000 2.483 56 V HA 0.495 4.614 4.120 -0.002 0.000 0.295 56 V C -0.788 175.447 176.094 0.235 0.000 1.035 56 V CA -0.251 62.151 62.300 0.171 0.000 0.896 56 V CB 1.253 33.153 31.823 0.128 0.000 0.986 56 V HN 0.975 nan 8.190 nan 0.000 0.447 57 H N 6.343 125.525 119.070 0.187 0.000 2.646 57 H HA 0.609 5.164 4.556 -0.002 0.000 0.328 57 H C -1.430 174.063 175.328 0.275 0.000 0.998 57 H CA -0.787 55.384 56.048 0.205 0.000 1.225 57 H CB 1.423 31.302 29.762 0.194 0.000 1.457 57 H HN 0.603 nan 8.280 nan 0.000 0.505 58 M N 5.339 124.861 119.600 -0.130 0.000 2.393 58 M HA 0.251 4.730 4.480 -0.002 0.000 0.316 58 M C -0.871 175.340 176.300 -0.148 0.000 1.087 58 M CA -1.213 54.075 55.300 -0.020 0.000 0.937 58 M CB 2.886 35.639 32.600 0.255 0.000 1.668 58 M HN 0.278 nan 8.290 nan 0.000 0.438 59 V N 3.152 122.999 119.914 -0.112 0.000 2.384 59 V HA 0.524 4.643 4.120 -0.002 0.000 0.287 59 V C -1.994 174.008 176.094 -0.154 0.000 1.020 59 V CA -0.181 62.027 62.300 -0.154 0.000 0.850 59 V CB 0.950 32.654 31.823 -0.197 0.000 0.987 59 V HN 0.855 nan 8.190 nan 0.000 0.436 60 W N 6.404 127.511 121.300 -0.322 0.000 2.329 60 W HA 0.576 5.234 4.660 -0.002 0.000 0.312 60 W C -0.797 175.528 176.519 -0.324 0.000 1.054 60 W CA -0.513 56.681 57.345 -0.252 0.000 1.245 60 W CB 1.026 30.332 29.460 -0.256 0.000 1.255 60 W HN 0.507 nan 8.180 nan 0.000 0.436 61 Y N 2.197 122.537 120.300 0.066 0.000 2.326 61 Y HA 0.272 4.821 4.550 -0.002 0.000 0.337 61 Y C 1.104 177.044 175.900 0.067 0.000 1.023 61 Y CA -1.098 56.983 58.100 -0.032 0.000 1.143 61 Y CB 1.116 39.409 38.460 -0.279 0.000 1.183 61 Y HN 0.279 nan 8.280 nan 0.000 0.485 62 R N 3.161 123.771 120.500 0.182 0.000 4.154 62 R HA 0.415 4.754 4.340 -0.002 0.000 0.186 62 R C -1.571 174.735 176.300 0.010 0.000 1.750 62 R CA 0.037 56.212 56.100 0.126 0.000 1.431 62 R CB -0.464 29.884 30.300 0.081 0.000 1.383 62 R HN 0.531 nan 8.270 nan 0.000 0.788 63 V N 1.521 121.454 119.914 0.031 0.000 2.882 63 V HA 0.728 4.847 4.120 -0.002 0.000 0.295 63 V C -0.733 175.399 176.094 0.064 0.000 1.273 63 V CA -0.102 62.106 62.300 -0.153 0.000 0.949 63 V CB 1.937 33.528 31.823 -0.388 0.000 1.071 63 V HN 0.649 nan 8.190 nan 0.000 0.432 64 G N 2.618 111.449 108.800 0.052 0.000 2.911 64 G HA2 0.475 4.434 3.960 -0.002 0.000 0.299 64 G HA3 0.475 4.434 3.960 -0.002 0.000 0.299 64 G C 0.802 175.768 174.900 0.110 0.000 1.283 64 G CA 0.354 45.500 45.100 0.076 0.000 0.805 64 G HN 1.436 nan 8.290 nan 0.000 0.548 65 S N -0.529 115.184 115.700 0.022 0.000 2.469 65 S HA -0.189 4.280 4.470 -0.002 0.000 0.238 65 S C 2.289 176.923 174.600 0.056 0.000 0.998 65 S CA 1.845 60.043 58.200 -0.003 0.000 0.957 65 S CB -0.542 62.610 63.200 -0.080 0.000 0.764 65 S HN 0.726 nan 8.310 nan 0.000 0.514 66 M N 0.945 120.603 119.600 0.098 0.000 2.476 66 M HA 0.090 4.569 4.480 -0.002 0.000 0.262 66 M C 0.469 176.806 176.300 0.062 0.000 1.079 66 M CA 1.490 56.859 55.300 0.115 0.000 1.104 66 M CB -0.240 32.483 32.600 0.205 0.000 1.409 66 M HN -0.016 nan 8.290 nan 0.000 0.467 67 D N 1.413 121.870 120.400 0.094 0.000 2.339 67 D HA 0.081 4.720 4.640 -0.002 0.000 0.217 67 D C -0.053 176.481 176.300 0.391 0.000 1.050 67 D CA 0.256 54.322 54.000 0.110 0.000 0.856 67 D CB 0.121 40.789 40.800 -0.220 0.000 0.922 67 D HN 0.634 nan 8.370 nan 0.000 0.518 68 E N 0.892 121.295 120.200 0.337 0.000 2.374 68 E HA 0.180 4.529 4.350 -0.002 0.000 0.260 68 E C -0.032 176.693 176.600 0.208 0.000 1.101 68 E CA 0.188 56.744 56.400 0.260 0.000 0.907 68 E CB 0.910 30.598 29.700 -0.021 0.000 1.014 68 E HN -0.141 nan 8.360 nan 0.000 0.427 69 T N 1.431 116.100 114.554 0.193 0.000 2.907 69 T HA 0.182 4.531 4.350 -0.002 0.000 0.284 69 T C -0.171 174.602 174.700 0.121 0.000 1.004 69 T CA -0.778 61.417 62.100 0.157 0.000 1.063 69 T CB 1.184 70.153 68.868 0.167 0.000 0.992 69 T HN 0.349 nan 8.240 nan 0.000 0.483 70 T N 2.182 116.807 114.554 0.117 0.000 2.946 70 T HA 0.356 4.705 4.350 -0.002 0.000 0.311 70 T C 1.611 176.373 174.700 0.102 0.000 1.063 70 T CA 0.789 62.962 62.100 0.122 0.000 1.139 70 T CB 0.138 69.062 68.868 0.093 0.000 0.994 70 T HN 1.042 nan 8.240 nan 0.000 0.547 71 G N 2.417 111.285 108.800 0.113 0.000 2.267 71 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.257 71 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.257 71 G C 0.515 175.465 174.900 0.082 0.000 0.998 71 G CA 0.310 45.461 45.100 0.085 0.000 0.620 71 G HN 0.871 nan 8.290 nan 0.000 0.529 72 T N 1.581 116.182 114.554 0.079 0.000 3.633 72 T HA 0.465 4.813 4.350 -0.002 0.000 0.278 72 T C 0.513 175.204 174.700 -0.016 0.000 0.991 72 T CA 0.513 62.635 62.100 0.037 0.000 1.036 72 T CB 0.533 69.423 68.868 0.038 0.000 1.148 72 T HN 1.021 nan 8.240 nan 0.000 0.501 73 T N -0.934 113.632 114.554 0.020 0.000 2.868 73 T HA 0.517 4.866 4.350 -0.002 0.000 0.292 73 T C 1.571 176.199 174.700 -0.120 0.000 1.028 73 T CA 0.566 62.630 62.100 -0.059 0.000 1.059 73 T CB 1.110 69.955 68.868 -0.038 0.000 0.991 73 T HN 0.615 nan 8.240 nan 0.000 0.531 74 G N 0.085 108.772 108.800 -0.189 0.000 2.199 74 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.254 74 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.254 74 G C 0.876 175.662 174.900 -0.191 0.000 0.982 74 G CA 0.468 45.471 45.100 -0.162 0.000 0.632 74 G HN 1.253 nan 8.290 nan 0.000 0.529 75 V N 0.951 120.655 119.914 -0.349 0.000 2.515 75 V HA 0.214 4.333 4.120 -0.002 0.000 0.250 75 V C 2.976 178.684 176.094 -0.643 0.000 1.058 75 V CA 2.808 64.825 62.300 -0.471 0.000 1.064 75 V CB -0.523 30.959 31.823 -0.569 0.000 0.675 75 V HN 1.233 nan 8.190 nan 0.000 0.461 76 A N -0.675 121.680 122.820 -0.776 0.000 1.908 76 A HA -0.306 4.013 4.320 -0.002 0.000 0.218 76 A C 2.287 179.855 177.584 -0.025 0.000 1.181 76 A CA 2.026 53.862 52.037 -0.334 0.000 0.627 76 A CB -1.009 17.990 19.000 -0.002 0.000 0.818 76 A HN 0.822 nan 8.150 nan 0.000 0.445 77 H N -0.431 118.559 119.070 -0.134 0.000 2.470 77 H HA 0.159 4.714 4.556 -0.002 0.000 0.289 77 H C 2.084 177.370 175.328 -0.070 0.000 1.033 77 H CA 1.176 57.185 56.048 -0.064 0.000 1.331 77 H CB -0.020 29.675 29.762 -0.112 0.000 1.414 77 H HN 0.411 nan 8.280 nan 0.000 0.545 78 A N 1.618 124.327 122.820 -0.185 0.000 1.929 78 A HA -0.038 4.280 4.320 -0.002 0.000 0.216 78 A C 2.659 180.225 177.584 -0.031 0.000 1.176 78 A CA 0.614 52.551 52.037 -0.166 0.000 0.628 78 A CB -0.824 18.163 19.000 -0.022 0.000 0.816 78 A HN 0.459 nan 8.150 nan 0.000 0.444 79 L N -0.392 120.820 121.223 -0.018 0.000 2.042 79 L HA -0.218 4.121 4.340 -0.002 0.000 0.210 79 L C 2.663 179.609 176.870 0.126 0.000 1.076 79 L CA 2.128 56.984 54.840 0.027 0.000 0.749 79 L CB -0.336 41.742 42.059 0.032 0.000 0.893 79 L HN 0.609 nan 8.230 nan 0.000 0.432 80 E N -0.608 119.706 120.200 0.190 0.000 2.085 80 E HA -0.282 4.067 4.350 -0.002 0.000 0.194 80 E C 1.942 178.790 176.600 0.413 0.000 0.994 80 E CA 1.620 58.220 56.400 0.333 0.000 0.801 80 E CB -0.156 29.654 29.700 0.183 0.000 0.743 80 E HN 0.670 nan 8.360 nan 0.000 0.453 81 H N -0.934 118.176 119.070 0.067 0.000 2.333 81 H HA -0.057 4.498 4.556 -0.001 0.000 0.302 81 H C 2.166 177.614 175.328 0.200 0.000 1.075 81 H CA 1.080 57.207 56.048 0.132 0.000 1.348 81 H CB 0.098 29.824 29.762 -0.059 0.000 1.393 81 H HN 0.220 nan 8.280 nan 0.000 0.509 82 M N 0.184 119.914 119.600 0.216 0.000 2.446 82 M HA -0.114 4.365 4.480 -0.002 0.000 0.263 82 M C 1.868 178.164 176.300 -0.006 0.000 1.066 82 M CA 0.775 56.137 55.300 0.104 0.000 1.087 82 M CB -0.586 32.054 32.600 0.066 0.000 1.406 82 M HN 0.291 nan 8.290 nan 0.000 0.459 83 M N -1.229 118.346 119.600 -0.041 0.000 2.632 83 M HA -0.094 4.385 4.480 -0.002 0.000 0.256 83 M C 0.799 176.772 176.300 -0.545 0.000 1.080 83 M CA 1.107 56.213 55.300 -0.323 0.000 1.084 83 M CB -0.796 31.578 32.600 -0.377 0.000 1.439 83 M HN 0.145 nan 8.290 nan 0.000 0.509 84 F N -0.694 119.217 119.950 -0.065 0.000 2.653 84 F HA 0.145 4.671 4.527 -0.002 0.000 0.304 84 F C 1.423 177.217 175.800 -0.010 0.000 1.092 84 F CA 0.008 57.974 58.000 -0.056 0.000 1.279 84 F CB 0.251 39.223 39.000 -0.047 0.000 1.044 84 F HN -0.100 nan 8.300 nan 0.000 0.564 85 K N 0.733 121.187 120.400 0.090 0.000 2.399 85 K HA 0.449 4.768 4.320 -0.002 0.000 0.204 85 K C 0.529 177.142 176.600 0.022 0.000 1.023 85 K CA 0.359 56.686 56.287 0.068 0.000 1.127 85 K CB 0.389 32.929 32.500 0.066 0.000 0.856 85 K HN 0.230 nan 8.250 nan 0.000 0.514 86 G N 1.405 110.203 108.800 -0.004 0.000 2.742 86 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.686 86 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.686 86 G C -0.135 174.746 174.900 -0.033 0.000 1.220 86 G CA -0.453 44.648 45.100 0.003 0.000 0.783 86 G HN 0.116 nan 8.290 nan 0.000 0.646 87 T N -0.939 113.612 114.554 -0.005 0.000 2.892 87 T HA 0.642 4.991 4.350 -0.002 0.000 0.280 87 T C 1.528 176.232 174.700 0.006 0.000 1.004 87 T CA 0.321 62.417 62.100 -0.007 0.000 0.950 87 T CB 1.764 70.645 68.868 0.020 0.000 1.309 87 T HN 0.684 nan 8.240 nan 0.000 0.592 88 K N -0.203 120.203 120.400 0.010 0.000 2.076 88 K HA -0.058 4.261 4.320 -0.002 0.000 0.204 88 K C 1.551 178.160 176.600 0.016 0.000 1.051 88 K CA 1.167 57.461 56.287 0.011 0.000 0.949 88 K CB -0.136 32.370 32.500 0.011 0.000 0.726 88 K HN 0.497 nan 8.250 nan 0.000 0.443 89 D N -0.313 120.099 120.400 0.021 0.000 2.194 89 D HA -0.030 4.609 4.640 -0.002 0.000 0.204 89 D C -0.146 176.169 176.300 0.026 0.000 0.964 89 D CA 0.732 54.744 54.000 0.020 0.000 0.846 89 D CB 0.546 41.357 40.800 0.019 0.000 0.962 89 D HN -0.081 nan 8.370 nan 0.000 0.490 90 V N 1.166 121.104 119.914 0.040 0.000 2.340 90 V HA 0.478 4.597 4.120 -0.002 0.000 0.277 90 V C 0.828 176.961 176.094 0.065 0.000 1.017 90 V CA -0.839 61.496 62.300 0.057 0.000 0.820 90 V CB 1.221 33.096 31.823 0.086 0.000 1.028 90 V HN 0.012 nan 8.190 nan 0.000 0.436 91 G N 5.186 114.017 108.800 0.052 0.000 2.570 91 G HA2 0.396 4.355 3.960 -0.002 0.000 0.276 91 G HA3 0.396 4.355 3.960 -0.002 0.000 0.276 91 G C -2.622 172.317 174.900 0.066 0.000 1.346 91 G CA -1.324 43.804 45.100 0.047 0.000 1.034 91 G HN 0.512 nan 8.290 nan 0.000 0.512 92 P HA 0.145 nan 4.420 nan 0.000 0.260 92 P C 0.888 178.243 177.300 0.090 0.000 1.185 92 P CA 1.618 64.760 63.100 0.070 0.000 0.763 92 P CB 0.628 32.359 31.700 0.052 0.000 0.776 93 G N 3.166 112.045 108.800 0.131 0.000 2.212 93 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.266 93 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.266 93 G C 1.160 176.153 174.900 0.154 0.000 0.978 93 G CA -0.041 45.143 45.100 0.141 0.000 0.632 93 G HN 0.499 nan 8.290 nan 0.000 0.537 94 E N -0.716 119.573 120.200 0.147 0.000 2.285 94 E HA 0.078 4.427 4.350 -0.002 0.000 0.194 94 E C 1.926 178.619 176.600 0.154 0.000 0.997 94 E CA 0.655 57.126 56.400 0.119 0.000 0.845 94 E CB -0.101 29.648 29.700 0.083 0.000 0.782 94 E HN 0.622 nan 8.360 nan 0.000 0.491 95 F N 1.382 121.383 119.950 0.085 0.000 2.084 95 F HA -0.168 4.358 4.527 -0.001 0.000 0.296 95 F C 2.481 178.359 175.800 0.130 0.000 1.111 95 F CA 1.401 59.460 58.000 0.098 0.000 1.224 95 F CB -0.263 38.794 39.000 0.094 0.000 0.991 95 F HN -0.129 nan 8.300 nan 0.000 0.471 96 S N 0.118 116.110 115.700 0.487 0.000 2.368 96 S HA -0.169 4.300 4.470 -0.002 0.000 0.224 96 S C 1.902 176.570 174.600 0.113 0.000 1.029 96 S CA 1.300 59.685 58.200 0.308 0.000 0.988 96 S CB -0.250 63.089 63.200 0.233 0.000 0.838 96 S HN 0.343 nan 8.310 nan 0.000 0.462 97 K N 0.584 121.038 120.400 0.090 0.000 2.147 97 K HA -0.053 4.266 4.320 -0.002 0.000 0.205 97 K C 2.322 178.921 176.600 -0.002 0.000 1.049 97 K CA 1.034 57.343 56.287 0.038 0.000 0.936 97 K CB -0.078 32.446 32.500 0.039 0.000 0.722 97 K HN 0.034 nan 8.250 nan 0.000 0.446 98 R N 0.660 121.139 120.500 -0.034 0.000 2.090 98 R HA -0.038 4.301 4.340 -0.002 0.000 0.228 98 R C 1.872 178.104 176.300 -0.114 0.000 1.110 98 R CA 0.861 56.908 56.100 -0.088 0.000 0.973 98 R CB -0.191 30.025 30.300 -0.140 0.000 0.869 98 R HN -0.056 nan 8.270 nan 0.000 0.440 99 V N 0.509 120.340 119.914 -0.138 0.000 2.379 99 V HA -0.123 3.995 4.120 -0.002 0.000 0.245 99 V C 2.245 178.320 176.094 -0.032 0.000 1.044 99 V CA 1.775 64.015 62.300 -0.101 0.000 1.036 99 V CB -0.656 31.121 31.823 -0.077 0.000 0.664 99 V HN 0.507 nan 8.190 nan 0.000 0.453 100 A N 0.053 122.867 122.820 -0.010 0.000 1.978 100 A HA -0.135 4.184 4.320 -0.002 0.000 0.220 100 A C 2.346 179.926 177.584 -0.008 0.000 1.170 100 A CA 2.023 54.061 52.037 0.001 0.000 0.636 100 A CB -0.625 18.380 19.000 0.008 0.000 0.810 100 A HN 0.579 nan 8.150 nan 0.000 0.448 101 A N -0.880 121.929 122.820 -0.018 0.000 2.014 101 A HA 0.042 4.361 4.320 -0.002 0.000 0.218 101 A C 2.089 179.661 177.584 -0.021 0.000 1.163 101 A CA 1.424 53.450 52.037 -0.019 0.000 0.652 101 A CB -0.463 18.523 19.000 -0.023 0.000 0.808 101 A HN 0.531 nan 8.150 nan 0.000 0.449 102 M N -1.523 118.061 119.600 -0.027 0.000 2.492 102 M HA 0.124 4.603 4.480 -0.002 0.000 0.262 102 M C 1.342 177.635 176.300 -0.011 0.000 1.090 102 M CA 1.038 56.323 55.300 -0.025 0.000 1.110 102 M CB 0.185 32.764 32.600 -0.035 0.000 1.407 102 M HN 0.617 nan 8.290 nan 0.000 0.470 103 G N 0.336 109.132 108.800 -0.005 0.000 2.131 103 G HA2 -0.126 3.833 3.960 -0.002 0.000 0.201 103 G HA3 -0.126 3.833 3.960 -0.002 0.000 0.201 103 G C 0.081 174.989 174.900 0.012 0.000 1.000 103 G CA -0.314 44.788 45.100 0.003 0.000 0.680 103 G HN 0.628 nan 8.290 nan 0.000 0.514 104 G N -1.096 107.712 108.800 0.014 0.000 2.705 104 G HA2 0.793 4.752 3.960 -0.002 0.000 0.299 104 G HA3 0.793 4.752 3.960 -0.002 0.000 0.299 104 G C -0.358 174.566 174.900 0.041 0.000 1.315 104 G CA -0.920 44.199 45.100 0.031 0.000 1.045 104 G HN 0.395 nan 8.290 nan 0.000 0.517 105 R N -0.257 120.282 120.500 0.065 0.000 2.725 105 R HA 0.424 4.763 4.340 -0.002 0.000 0.277 105 R C -1.563 174.793 176.300 0.094 0.000 0.987 105 R CA -0.710 55.430 56.100 0.068 0.000 0.901 105 R CB 2.535 32.878 30.300 0.071 0.000 1.207 105 R HN 0.823 nan 8.270 nan 0.000 0.463 106 D N 1.289 121.730 120.400 0.069 0.000 2.661 106 D HA 0.365 5.004 4.640 -0.002 0.000 0.228 106 D C -1.177 175.059 176.300 -0.107 0.000 1.183 106 D CA -0.478 53.559 54.000 0.062 0.000 0.844 106 D CB 2.379 43.347 40.800 0.280 0.000 1.555 106 D HN 0.372 nan 8.370 nan 0.000 0.453 107 N N -0.829 117.640 118.700 -0.386 0.000 3.243 107 N HA 0.793 5.532 4.740 -0.002 0.000 0.280 107 N C -2.025 173.251 175.510 -0.391 0.000 1.545 107 N CA -0.215 52.556 53.050 -0.464 0.000 0.854 107 N CB 2.086 40.255 38.487 -0.530 0.000 1.612 107 N HN 0.781 nan 8.380 nan 0.000 0.577 108 A N -0.050 122.686 122.820 -0.140 0.000 2.605 108 A HA 0.719 5.038 4.320 -0.002 0.000 0.294 108 A C -1.941 175.778 177.584 0.225 0.000 1.062 108 A CA -0.624 51.408 52.037 -0.009 0.000 0.682 108 A CB 0.518 19.498 19.000 -0.034 0.000 1.278 108 A HN 0.720 nan 8.150 nan 0.000 0.410 109 F N -1.221 118.661 119.950 -0.113 0.000 2.641 109 F HA 0.823 5.349 4.527 -0.002 0.000 0.308 109 F C -0.643 175.136 175.800 -0.035 0.000 1.105 109 F CA -0.680 57.311 58.000 -0.014 0.000 0.964 109 F CB 1.700 40.733 39.000 0.055 0.000 1.294 109 F HN 0.407 nan 8.300 nan 0.000 0.442 110 T N 1.489 116.069 114.554 0.043 0.000 2.824 110 T HA 0.650 4.999 4.350 -0.002 0.000 0.282 110 T C -0.214 174.402 174.700 -0.141 0.000 0.993 110 T CA -0.488 61.568 62.100 -0.074 0.000 0.967 110 T CB 1.715 70.637 68.868 0.090 0.000 0.960 110 T HN 0.954 nan 8.240 nan 0.000 0.441 111 T N 0.130 114.462 114.554 -0.370 0.000 2.762 111 T HA 0.482 4.831 4.350 -0.002 0.000 0.272 111 T C 1.187 175.707 174.700 -0.300 0.000 0.982 111 T CA -1.067 60.795 62.100 -0.396 0.000 1.013 111 T CB 1.392 69.838 68.868 -0.704 0.000 1.309 111 T HN 0.418 nan 8.240 nan 0.000 0.572 112 R N 0.081 120.423 120.500 -0.264 0.000 2.148 112 R HA 0.013 4.352 4.340 -0.002 0.000 0.227 112 R C 1.104 177.376 176.300 -0.047 0.000 1.103 112 R CA 1.375 57.390 56.100 -0.142 0.000 0.983 112 R CB -0.235 29.923 30.300 -0.237 0.000 0.874 112 R HN 0.584 nan 8.270 nan 0.000 0.451 113 D N -0.917 119.404 120.400 -0.132 0.000 2.277 113 D HA 0.037 4.676 4.640 -0.002 0.000 0.209 113 D C 0.103 176.466 176.300 0.105 0.000 0.970 113 D CA 0.882 54.909 54.000 0.045 0.000 0.874 113 D CB 0.396 41.303 40.800 0.178 0.000 0.982 113 D HN 0.212 nan 8.370 nan 0.000 0.504 114 Y N -2.519 117.815 120.300 0.056 0.000 2.670 114 Y HA 0.654 5.203 4.550 -0.001 0.000 0.334 114 Y C -1.088 174.789 175.900 -0.038 0.000 1.185 114 Y CA -1.253 56.877 58.100 0.051 0.000 1.053 114 Y CB 0.938 39.484 38.460 0.144 0.000 1.298 114 Y HN -0.405 nan 8.280 nan 0.000 0.459 115 T N 1.597 116.293 114.554 0.237 0.000 2.841 115 T HA 0.825 5.174 4.350 -0.002 0.000 0.285 115 T C -0.882 173.789 174.700 -0.049 0.000 0.991 115 T CA -0.458 61.676 62.100 0.057 0.000 0.966 115 T CB 1.263 70.279 68.868 0.247 0.000 0.962 115 T HN 0.984 nan 8.240 nan 0.000 0.438 116 A N 2.991 125.478 122.820 -0.555 0.000 2.386 116 A HA 0.862 5.181 4.320 -0.002 0.000 0.311 116 A C -1.728 175.524 177.584 -0.552 0.000 1.068 116 A CA -0.811 50.804 52.037 -0.703 0.000 0.743 116 A CB 1.088 19.158 19.000 -1.550 0.000 1.258 116 A HN 0.837 nan 8.150 nan 0.000 0.429 117 Y N 0.748 121.015 120.300 -0.055 0.000 2.391 117 Y HA 0.584 5.133 4.550 -0.002 0.000 0.341 117 Y C -0.533 175.473 175.900 0.176 0.000 0.965 117 Y CA -0.516 57.637 58.100 0.089 0.000 1.067 117 Y CB 1.917 40.414 38.460 0.062 0.000 1.199 117 Y HN 0.761 nan 8.280 nan 0.000 0.450 118 Y N -0.516 119.938 120.300 0.257 0.000 2.562 118 Y HA 0.852 5.401 4.550 -0.002 0.000 0.345 118 Y C -1.697 174.378 175.900 0.292 0.000 1.045 118 Y CA -1.510 56.724 58.100 0.224 0.000 1.028 118 Y CB 1.692 40.245 38.460 0.156 0.000 1.297 118 Y HN 0.491 nan 8.280 nan 0.000 0.463 119 Q N 1.670 121.728 119.800 0.431 0.000 2.331 119 Q HA 0.365 4.703 4.340 -0.002 0.000 0.272 119 Q C -1.572 174.611 176.000 0.305 0.000 1.062 119 Q CA -0.833 55.166 55.803 0.325 0.000 0.806 119 Q CB 2.804 31.728 28.738 0.309 0.000 1.312 119 Q HN 0.716 nan 8.270 nan 0.000 0.431 120 Q N 1.597 121.537 119.800 0.234 0.000 2.290 120 Q HA 0.756 5.095 4.340 -0.002 0.000 0.259 120 Q C -1.394 174.677 176.000 0.117 0.000 0.941 120 Q CA -0.527 55.379 55.803 0.172 0.000 0.912 120 Q CB 1.190 30.017 28.738 0.148 0.000 1.244 120 Q HN 0.549 nan 8.270 nan 0.000 0.441 121 V N 5.333 125.304 119.914 0.096 0.000 3.147 121 V HA 0.474 4.593 4.120 -0.002 0.000 0.306 121 V C -2.484 173.636 176.094 0.043 0.000 1.209 121 V CA -2.177 60.159 62.300 0.060 0.000 1.023 121 V CB 2.734 34.590 31.823 0.053 0.000 1.059 121 V HN 0.820 nan 8.190 nan 0.000 0.435 122 P HA 0.086 nan 4.420 nan 0.000 0.266 122 P C 0.754 178.064 177.300 0.016 0.000 1.195 122 P CA 0.306 63.416 63.100 0.018 0.000 0.768 122 P CB 0.560 32.264 31.700 0.007 0.000 0.838 123 S N 1.374 117.086 115.700 0.020 0.000 2.400 123 S HA -0.203 4.266 4.470 -0.002 0.000 0.232 123 S C 1.741 176.344 174.600 0.005 0.000 1.025 123 S CA 1.638 59.850 58.200 0.020 0.000 0.993 123 S CB -1.400 61.819 63.200 0.031 0.000 0.808 123 S HN 0.563 nan 8.310 nan 0.000 0.478 124 S N 1.479 117.178 115.700 -0.001 0.000 2.474 124 S HA 0.085 4.554 4.470 -0.002 0.000 0.235 124 S C 1.537 176.125 174.600 -0.021 0.000 0.997 124 S CA 0.137 58.330 58.200 -0.012 0.000 0.949 124 S CB -0.286 62.907 63.200 -0.012 0.000 0.766 124 S HN 0.334 nan 8.310 nan 0.000 0.517 125 R N 0.494 120.981 120.500 -0.021 0.000 2.359 125 R HA 0.387 4.726 4.340 -0.002 0.000 0.231 125 R C 1.561 177.829 176.300 -0.053 0.000 0.913 125 R CA -0.171 55.908 56.100 -0.036 0.000 1.075 125 R CB -1.107 29.173 30.300 -0.033 0.000 1.087 125 R HN 0.410 nan 8.270 nan 0.000 0.515 126 L N 1.418 122.614 121.223 -0.046 0.000 2.043 126 L HA -0.239 4.100 4.340 -0.002 0.000 0.212 126 L C 2.082 178.886 176.870 -0.110 0.000 1.075 126 L CA 2.317 57.113 54.840 -0.073 0.000 0.752 126 L CB -0.721 41.316 42.059 -0.036 0.000 0.891 126 L HN 0.237 nan 8.230 nan 0.000 0.432 127 S N -1.541 114.113 115.700 -0.078 0.000 2.382 127 S HA -0.226 4.243 4.470 -0.002 0.000 0.228 127 S C 1.664 176.203 174.600 -0.102 0.000 1.027 127 S CA 1.311 59.463 58.200 -0.080 0.000 0.991 127 S CB -1.070 62.096 63.200 -0.056 0.000 0.823 127 S HN 0.587 nan 8.310 nan 0.000 0.469 128 D N 1.743 122.086 120.400 -0.096 0.000 2.103 128 D HA -0.128 4.510 4.640 -0.002 0.000 0.190 128 D C 2.206 178.426 176.300 -0.135 0.000 0.997 128 D CA 2.056 55.993 54.000 -0.105 0.000 0.833 128 D CB -0.425 40.317 40.800 -0.097 0.000 0.961 128 D HN 0.513 nan 8.370 nan 0.000 0.447 129 V N -1.723 118.098 119.914 -0.155 0.000 2.667 129 V HA -0.127 3.992 4.120 -0.002 0.000 0.252 129 V C 1.999 177.995 176.094 -0.162 0.000 1.065 129 V CA 1.030 63.239 62.300 -0.152 0.000 1.083 129 V CB -0.551 31.210 31.823 -0.104 0.000 0.692 129 V HN 0.179 nan 8.190 nan 0.000 0.468 130 M N 1.278 120.717 119.600 -0.269 0.000 2.099 130 M HA 0.037 4.516 4.480 -0.002 0.000 0.262 130 M C 2.423 178.557 176.300 -0.276 0.000 1.067 130 M CA 2.053 57.205 55.300 -0.246 0.000 1.124 130 M CB -1.004 31.490 32.600 -0.177 0.000 1.353 130 M HN 0.542 nan 8.290 nan 0.000 0.410 131 G N 0.922 109.611 108.800 -0.185 0.000 2.491 131 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.218 131 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.218 131 G C 1.488 176.343 174.900 -0.075 0.000 1.180 131 G CA 0.828 45.845 45.100 -0.137 0.000 0.774 131 G HN 0.351 nan 8.290 nan 0.000 0.562 132 L N -0.053 121.151 121.223 -0.030 0.000 2.046 132 L HA -0.040 4.299 4.340 -0.002 0.000 0.208 132 L C 2.968 180.001 176.870 0.272 0.000 1.077 132 L CA 1.106 56.001 54.840 0.092 0.000 0.747 132 L CB -0.369 41.648 42.059 -0.070 0.000 0.896 132 L HN 0.155 nan 8.230 nan 0.000 0.432 133 E N 0.251 120.616 120.200 0.274 0.000 2.107 133 E HA -0.132 4.217 4.350 -0.002 0.000 0.191 133 E C 2.309 179.033 176.600 0.207 0.000 0.982 133 E CA 1.244 57.847 56.400 0.338 0.000 0.809 133 E CB -0.094 29.938 29.700 0.554 0.000 0.756 133 E HN 0.440 nan 8.360 nan 0.000 0.459 134 A N 1.602 124.376 122.820 -0.078 0.000 1.902 134 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 134 A C 1.994 179.598 177.584 0.033 0.000 1.181 134 A CA 1.936 53.896 52.037 -0.128 0.000 0.623 134 A CB -0.554 18.164 19.000 -0.471 0.000 0.818 134 A HN 0.220 nan 8.150 nan 0.000 0.443 135 D N -0.570 119.847 120.400 0.029 0.000 2.092 135 D HA -0.217 4.422 4.640 -0.002 0.000 0.193 135 D C 2.116 178.479 176.300 0.106 0.000 0.994 135 D CA 1.706 55.744 54.000 0.063 0.000 0.828 135 D CB -0.202 40.633 40.800 0.059 0.000 0.963 135 D HN 0.409 nan 8.370 nan 0.000 0.450 136 R N -0.692 119.880 120.500 0.120 0.000 2.152 136 R HA -0.038 4.301 4.340 -0.002 0.000 0.232 136 R C 2.386 178.809 176.300 0.204 0.000 1.117 136 R CA 1.043 57.194 56.100 0.085 0.000 0.981 136 R CB -0.273 30.004 30.300 -0.037 0.000 0.870 136 R HN 0.312 nan 8.270 nan 0.000 0.451 137 M N -1.061 118.687 119.600 0.246 0.000 2.296 137 M HA -0.067 4.412 4.480 -0.002 0.000 0.265 137 M C 1.354 177.804 176.300 0.249 0.000 1.064 137 M CA 1.971 57.461 55.300 0.316 0.000 1.109 137 M CB 0.234 33.039 32.600 0.341 0.000 1.396 137 M HN 0.274 nan 8.290 nan 0.000 0.430 138 A N -0.923 122.043 122.820 0.242 0.000 2.141 138 A HA 0.209 4.528 4.320 -0.002 0.000 0.201 138 A C 0.962 178.700 177.584 0.257 0.000 1.344 138 A CA 0.013 52.164 52.037 0.191 0.000 0.971 138 A CB -0.013 19.055 19.000 0.113 0.000 1.035 138 A HN 0.586 nan 8.150 nan 0.000 0.480 139 N N -0.420 118.412 118.700 0.221 0.000 2.204 139 N HA 0.281 5.020 4.740 -0.002 0.000 0.219 139 N C -0.277 175.260 175.510 0.045 0.000 1.151 139 N CA -0.298 52.826 53.050 0.124 0.000 0.867 139 N CB 0.805 39.336 38.487 0.073 0.000 1.043 139 N HN 0.355 nan 8.380 nan 0.000 0.516 140 L N 1.684 122.896 121.223 -0.020 0.000 2.514 140 L HA 0.101 4.440 4.340 -0.002 0.000 0.280 140 L C -0.483 176.228 176.870 -0.265 0.000 1.223 140 L CA 0.364 55.028 54.840 -0.293 0.000 0.864 140 L CB 0.592 42.181 42.059 -0.783 0.000 1.118 140 L HN -0.137 nan 8.230 nan 0.000 0.494 141 V N 5.990 125.793 119.914 -0.185 0.000 2.409 141 V HA 0.337 4.456 4.120 -0.002 0.000 0.291 141 V C -0.369 175.643 176.094 -0.137 0.000 1.020 141 V CA -0.731 61.491 62.300 -0.129 0.000 0.848 141 V CB 1.587 33.373 31.823 -0.062 0.000 0.990 141 V HN 0.588 nan 8.190 nan 0.000 0.430 142 V N 4.365 124.195 119.914 -0.140 0.000 2.364 142 V HA 0.468 4.587 4.120 -0.002 0.000 0.272 142 V C -0.264 175.799 176.094 -0.051 0.000 1.036 142 V CA -0.105 62.133 62.300 -0.103 0.000 0.880 142 V CB 1.365 33.102 31.823 -0.143 0.000 0.991 142 V HN 1.010 nan 8.190 nan 0.000 0.460 143 D N 4.679 125.078 120.400 -0.001 0.000 2.264 143 D HA 0.237 4.876 4.640 -0.002 0.000 0.250 143 D C 0.974 177.312 176.300 0.065 0.000 1.113 143 D CA -0.167 53.845 54.000 0.021 0.000 0.871 143 D CB 1.410 42.227 40.800 0.029 0.000 1.167 143 D HN 0.658 nan 8.370 nan 0.000 0.447 144 D N 2.756 123.183 120.400 0.044 0.000 2.104 144 D HA -0.163 4.476 4.640 -0.002 0.000 0.194 144 D C 1.283 177.661 176.300 0.130 0.000 0.994 144 D CA 1.048 55.093 54.000 0.075 0.000 0.830 144 D CB 0.372 41.193 40.800 0.035 0.000 0.959 144 D HN 0.561 nan 8.370 nan 0.000 0.452 145 E N 0.693 120.942 120.200 0.082 0.000 2.046 145 E HA -0.051 4.298 4.350 -0.002 0.000 0.190 145 E C 2.606 179.246 176.600 0.068 0.000 0.982 145 E CA 0.146 56.586 56.400 0.066 0.000 0.800 145 E CB -0.344 29.379 29.700 0.039 0.000 0.756 145 E HN 0.353 nan 8.360 nan 0.000 0.449 146 L N 0.125 121.393 121.223 0.074 0.000 2.083 146 L HA -0.174 4.165 4.340 -0.002 0.000 0.209 146 L C 2.498 179.417 176.870 0.081 0.000 1.083 146 L CA 1.092 55.971 54.840 0.066 0.000 0.752 146 L CB -0.481 41.617 42.059 0.065 0.000 0.899 146 L HN 0.073 nan 8.230 nan 0.000 0.433 147 F N 1.117 121.061 119.950 -0.010 0.000 2.102 147 F HA -0.228 4.298 4.527 -0.002 0.000 0.298 147 F C 2.474 178.265 175.800 -0.015 0.000 1.105 147 F CA 1.639 59.630 58.000 -0.016 0.000 1.239 147 F CB -0.149 38.836 39.000 -0.025 0.000 0.991 147 F HN -0.145 nan 8.300 nan 0.000 0.474 148 K N 0.109 120.496 120.400 -0.021 0.000 2.097 148 K HA -0.162 4.157 4.320 -0.002 0.000 0.206 148 K C 2.112 178.609 176.600 -0.172 0.000 1.049 148 K CA 1.285 57.499 56.287 -0.122 0.000 0.933 148 K CB -0.109 32.407 32.500 0.025 0.000 0.717 148 K HN 0.188 nan 8.250 nan 0.000 0.442 149 K N 0.946 121.282 120.400 -0.106 0.000 2.001 149 K HA -0.173 4.146 4.320 -0.002 0.000 0.208 149 K C 2.108 178.630 176.600 -0.130 0.000 1.048 149 K CA 1.357 57.591 56.287 -0.088 0.000 0.932 149 K CB -0.188 32.291 32.500 -0.036 0.000 0.715 149 K HN 0.069 nan 8.250 nan 0.000 0.437 150 E N 1.241 121.349 120.200 -0.153 0.000 2.110 150 E HA -0.111 4.238 4.350 -0.002 0.000 0.193 150 E C 1.855 178.303 176.600 -0.254 0.000 0.988 150 E CA 0.589 56.904 56.400 -0.141 0.000 0.804 150 E CB -0.153 29.502 29.700 -0.075 0.000 0.745 150 E HN 0.074 nan 8.360 nan 0.000 0.458 151 I N 0.943 121.226 120.570 -0.478 0.000 2.264 151 I HA -0.248 3.921 4.170 -0.002 0.000 0.248 151 I C 1.923 177.879 176.117 -0.268 0.000 1.111 151 I CA 1.384 62.390 61.300 -0.489 0.000 1.382 151 I CB -0.800 36.724 38.000 -0.793 0.000 1.060 151 I HN 0.276 nan 8.210 nan 0.000 0.418 152 Q N -0.184 119.487 119.800 -0.215 0.000 2.123 152 Q HA -0.071 4.268 4.340 -0.002 0.000 0.199 152 Q C 2.449 178.367 176.000 -0.137 0.000 0.966 152 Q CA 0.985 56.696 55.803 -0.154 0.000 0.845 152 Q CB -0.541 28.123 28.738 -0.124 0.000 0.907 152 Q HN 0.344 nan 8.270 nan 0.000 0.439 153 V N 1.335 121.184 119.914 -0.108 0.000 2.407 153 V HA -0.238 3.881 4.120 -0.002 0.000 0.248 153 V C 2.284 178.348 176.094 -0.050 0.000 1.055 153 V CA 1.381 63.649 62.300 -0.053 0.000 1.049 153 V CB -0.496 31.335 31.823 0.013 0.000 0.662 153 V HN 0.266 nan 8.190 nan 0.000 0.455 154 I N 0.226 120.739 120.570 -0.096 0.000 2.315 154 I HA -0.197 3.971 4.170 -0.002 0.000 0.248 154 I C 2.606 178.670 176.117 -0.090 0.000 1.117 154 I CA 1.321 62.563 61.300 -0.096 0.000 1.404 154 I CB -0.512 37.387 38.000 -0.168 0.000 1.071 154 I HN 0.285 nan 8.210 nan 0.000 0.419 155 A N 0.420 123.167 122.820 -0.121 0.000 1.898 155 A HA -0.246 4.073 4.320 -0.002 0.000 0.216 155 A C 2.223 179.703 177.584 -0.172 0.000 1.181 155 A CA 1.919 53.880 52.037 -0.126 0.000 0.620 155 A CB -0.499 18.426 19.000 -0.125 0.000 0.819 155 A HN 0.396 nan 8.150 nan 0.000 0.442 156 E N 0.058 120.116 120.200 -0.236 0.000 2.106 156 E HA -0.184 4.165 4.350 -0.002 0.000 0.192 156 E C 1.919 178.315 176.600 -0.340 0.000 0.984 156 E CA 1.430 57.565 56.400 -0.441 0.000 0.806 156 E CB -0.219 29.129 29.700 -0.586 0.000 0.750 156 E HN 0.693 nan 8.360 nan 0.000 0.458 157 E N 0.014 120.160 120.200 -0.091 0.000 2.153 157 E HA -0.236 4.113 4.350 -0.002 0.000 0.194 157 E C 2.117 178.742 176.600 0.042 0.000 0.988 157 E CA 0.835 57.288 56.400 0.088 0.000 0.811 157 E CB -0.015 29.757 29.700 0.119 0.000 0.746 157 E HN 0.143 nan 8.360 nan 0.000 0.466 158 R N 0.248 120.723 120.500 -0.042 0.000 2.093 158 R HA -0.048 4.291 4.340 -0.002 0.000 0.224 158 R C 2.348 178.626 176.300 -0.036 0.000 1.101 158 R CA 0.977 57.048 56.100 -0.049 0.000 0.979 158 R CB 0.070 30.328 30.300 -0.069 0.000 0.877 158 R HN 0.053 nan 8.270 nan 0.000 0.441 159 R N -0.610 119.831 120.500 -0.097 0.000 2.081 159 R HA -0.148 4.191 4.340 -0.002 0.000 0.235 159 R C 2.013 178.321 176.300 0.013 0.000 1.131 159 R CA 1.548 57.584 56.100 -0.106 0.000 0.960 159 R CB -0.306 29.843 30.300 -0.251 0.000 0.856 159 R HN 0.317 nan 8.270 nan 0.000 0.436 160 W N 1.264 122.552 121.300 -0.020 0.000 2.408 160 W HA 0.036 4.696 4.660 -0.001 0.000 0.311 160 W C 2.245 178.748 176.519 -0.028 0.000 1.190 160 W CA 0.605 57.938 57.345 -0.020 0.000 1.321 160 W CB -0.628 28.822 29.460 -0.017 0.000 1.143 160 W HN 0.065 nan 8.180 nan 0.000 0.501 161 R N -0.473 120.150 120.500 0.204 0.000 2.060 161 R HA -0.050 4.289 4.340 -0.002 0.000 0.218 161 R C 2.222 178.540 176.300 0.030 0.000 1.200 161 R CA 2.189 58.340 56.100 0.086 0.000 0.935 161 R CB -1.141 29.190 30.300 0.052 0.000 0.814 161 R HN -0.100 nan 8.270 nan 0.000 0.460 162 T N 1.132 115.685 114.554 -0.001 0.000 2.867 162 T HA -0.112 4.237 4.350 -0.002 0.000 0.268 162 T C 1.293 175.992 174.700 -0.002 0.000 1.057 162 T CA 1.256 63.342 62.100 -0.024 0.000 1.136 162 T CB -0.233 68.604 68.868 -0.052 0.000 0.874 162 T HN 0.236 nan 8.240 nan 0.000 0.466 163 D N 1.066 121.475 120.400 0.014 0.000 2.149 163 D HA -0.057 4.582 4.640 -0.002 0.000 0.201 163 D C 0.495 176.814 176.300 0.032 0.000 0.972 163 D CA 0.982 54.995 54.000 0.022 0.000 0.835 163 D CB 0.052 40.861 40.800 0.014 0.000 0.966 163 D HN 0.257 nan 8.370 nan 0.000 0.476 164 D N 0.490 120.920 120.400 0.049 0.000 2.891 164 D HA 0.185 4.824 4.640 -0.002 0.000 0.312 164 D C -0.745 175.575 176.300 0.034 0.000 1.354 164 D CA -0.074 53.959 54.000 0.055 0.000 0.838 164 D CB 0.519 41.379 40.800 0.100 0.000 1.117 164 D HN -0.084 nan 8.370 nan 0.000 0.473 165 K N 0.339 120.743 120.400 0.006 0.000 2.731 165 K HA 0.258 4.577 4.320 -0.002 0.000 0.257 165 K C -1.955 174.610 176.600 -0.059 0.000 1.032 165 K CA -1.459 54.815 56.287 -0.023 0.000 0.983 165 K CB 2.519 35.000 32.500 -0.031 0.000 1.248 165 K HN -0.258 nan 8.250 nan 0.000 0.484 166 P HA -0.407 nan 4.420 nan 0.000 0.218 166 P C 1.057 178.219 177.300 -0.229 0.000 1.018 166 P CA 1.563 64.610 63.100 -0.089 0.000 1.016 166 P CB 0.207 31.876 31.700 -0.053 0.000 0.748 167 R N -0.633 119.621 120.500 -0.409 0.000 2.170 167 R HA -0.137 4.202 4.340 -0.002 0.000 0.242 167 R C 2.204 178.337 176.300 -0.277 0.000 1.145 167 R CA 2.027 57.725 56.100 -0.669 0.000 0.984 167 R CB -0.499 29.452 30.300 -0.582 0.000 0.869 167 R HN 0.194 nan 8.270 nan 0.000 0.455 168 S N 0.199 115.793 115.700 -0.177 0.000 2.362 168 S HA -0.072 4.397 4.470 -0.002 0.000 0.221 168 S C 1.677 176.274 174.600 -0.003 0.000 1.032 168 S CA 1.041 59.186 58.200 -0.091 0.000 0.973 168 S CB -0.034 63.111 63.200 -0.092 0.000 0.849 168 S HN 0.340 nan 8.310 nan 0.000 0.465 169 K N 1.249 121.642 120.400 -0.011 0.000 2.097 169 K HA 0.028 4.347 4.320 -0.002 0.000 0.205 169 K C 2.113 178.745 176.600 0.053 0.000 1.050 169 K CA 1.021 57.323 56.287 0.025 0.000 0.938 169 K CB -0.253 32.260 32.500 0.021 0.000 0.718 169 K HN 0.290 nan 8.250 nan 0.000 0.442 170 A N -0.071 122.779 122.820 0.050 0.000 1.898 170 A HA -0.141 4.178 4.320 -0.002 0.000 0.216 170 A C 1.900 179.527 177.584 0.072 0.000 1.181 170 A CA 1.103 53.184 52.037 0.075 0.000 0.620 170 A CB -0.771 18.305 19.000 0.127 0.000 0.819 170 A HN 0.404 nan 8.150 nan 0.000 0.442 171 Y N -0.141 120.143 120.300 -0.026 0.000 2.181 171 Y HA -0.222 4.327 4.550 -0.002 0.000 0.288 171 Y C 2.542 178.445 175.900 0.005 0.000 1.146 171 Y CA 2.010 60.104 58.100 -0.010 0.000 1.164 171 Y CB -0.094 38.339 38.460 -0.046 0.000 0.982 171 Y HN 0.536 nan 8.280 nan 0.000 0.515 172 E N -0.053 120.235 120.200 0.147 0.000 2.058 172 E HA -0.275 4.074 4.350 -0.002 0.000 0.194 172 E C 2.296 178.969 176.600 0.121 0.000 0.997 172 E CA 1.234 57.691 56.400 0.095 0.000 0.801 172 E CB -0.254 29.483 29.700 0.062 0.000 0.746 172 E HN 0.437 nan 8.360 nan 0.000 0.450 173 A N 0.879 123.760 122.820 0.102 0.000 1.902 173 A HA -0.162 4.157 4.320 -0.002 0.000 0.217 173 A C 2.156 179.773 177.584 0.055 0.000 1.181 173 A CA 1.383 53.474 52.037 0.090 0.000 0.623 173 A CB -0.683 18.354 19.000 0.061 0.000 0.818 173 A HN 0.405 nan 8.150 nan 0.000 0.443 174 L N -0.963 120.261 121.223 0.001 0.000 2.017 174 L HA -0.146 4.193 4.340 -0.002 0.000 0.208 174 L C 2.354 179.211 176.870 -0.021 0.000 1.073 174 L CA 2.022 56.820 54.840 -0.070 0.000 0.745 174 L CB -0.398 41.535 42.059 -0.210 0.000 0.894 174 L HN 0.288 nan 8.230 nan 0.000 0.432 175 M N -0.553 119.080 119.600 0.056 0.000 2.175 175 M HA -0.053 4.426 4.480 -0.002 0.000 0.264 175 M C 2.398 178.850 176.300 0.253 0.000 1.063 175 M CA 1.629 57.038 55.300 0.182 0.000 1.119 175 M CB -1.703 31.024 32.600 0.211 0.000 1.377 175 M HN 0.449 nan 8.290 nan 0.000 0.415 176 A N -0.255 122.698 122.820 0.223 0.000 2.067 176 A HA 0.167 4.486 4.320 -0.002 0.000 0.219 176 A C 2.326 180.029 177.584 0.198 0.000 1.158 176 A CA 1.691 53.896 52.037 0.280 0.000 0.661 176 A CB -0.529 18.688 19.000 0.361 0.000 0.801 176 A HN 0.466 nan 8.150 nan 0.000 0.452 177 A N -1.413 121.479 122.820 0.121 0.000 1.956 177 A HA 0.146 4.465 4.320 -0.002 0.000 0.212 177 A C 2.334 179.946 177.584 0.046 0.000 1.188 177 A CA 1.435 53.512 52.037 0.067 0.000 0.675 177 A CB -0.648 18.363 19.000 0.019 0.000 0.845 177 A HN 0.490 nan 8.150 nan 0.000 0.455 178 S N -1.398 114.297 115.700 -0.009 0.000 2.387 178 S HA 0.001 4.470 4.470 -0.002 0.000 0.226 178 S C 0.163 174.740 174.600 -0.039 0.000 1.026 178 S CA 0.467 58.587 58.200 -0.132 0.000 0.972 178 S CB -0.308 62.655 63.200 -0.394 0.000 0.814 178 S HN 0.469 nan 8.310 nan 0.000 0.477 179 Y N 1.362 121.798 120.300 0.226 0.000 2.369 179 Y HA 0.343 4.892 4.550 -0.002 0.000 0.337 179 Y C 1.043 177.048 175.900 0.175 0.000 0.961 179 Y CA -0.718 57.526 58.100 0.239 0.000 1.186 179 Y CB 1.479 40.098 38.460 0.264 0.000 1.139 179 Y HN 0.050 nan 8.280 nan 0.000 0.494 180 V N 0.019 120.095 119.914 0.270 0.000 2.871 180 V HA 0.020 4.139 4.120 -0.002 0.000 0.256 180 V C 1.229 177.428 176.094 0.176 0.000 1.082 180 V CA 1.940 64.349 62.300 0.181 0.000 1.105 180 V CB -0.065 31.826 31.823 0.114 0.000 0.713 180 V HN 0.781 nan 8.190 nan 0.000 0.473 181 A N -1.767 121.177 122.820 0.206 0.000 1.895 181 A HA 0.256 4.575 4.320 -0.002 0.000 0.198 181 A C 1.100 178.759 177.584 0.125 0.000 1.709 181 A CA -0.044 52.078 52.037 0.142 0.000 1.194 181 A CB -0.443 18.614 19.000 0.096 0.000 1.260 181 A HN 0.566 nan 8.150 nan 0.000 0.441 182 H N 2.275 121.384 119.070 0.064 0.000 2.964 182 H HA 0.111 4.666 4.556 -0.002 0.000 0.328 182 H C -1.689 173.590 175.328 -0.081 0.000 1.030 182 H CA -0.947 55.047 56.048 -0.089 0.000 1.445 182 H CB 1.294 30.895 29.762 -0.268 0.000 1.449 182 H HN 0.078 nan 8.280 nan 0.000 0.581 183 P HA -0.191 nan 4.420 nan 0.000 0.222 183 P C 1.104 178.525 177.300 0.200 0.000 1.142 183 P CA 1.298 64.402 63.100 0.006 0.000 0.788 183 P CB -0.239 31.404 31.700 -0.094 0.000 0.767 184 Y N 0.877 121.250 120.300 0.122 0.000 2.483 184 Y HA -0.166 4.383 4.550 -0.002 0.000 0.291 184 Y C 2.668 178.559 175.900 -0.015 0.000 1.143 184 Y CA 0.225 58.291 58.100 -0.057 0.000 1.289 184 Y CB -0.271 37.954 38.460 -0.392 0.000 0.983 184 Y HN 0.071 nan 8.280 nan 0.000 0.556 185 R N 0.194 120.833 120.500 0.233 0.000 2.189 185 R HA -0.029 4.310 4.340 -0.002 0.000 0.223 185 R C 0.279 176.696 176.300 0.195 0.000 1.092 185 R CA 0.499 56.784 56.100 0.308 0.000 0.989 185 R CB -0.731 29.788 30.300 0.365 0.000 0.876 185 R HN -0.026 nan 8.270 nan 0.000 0.457 186 V N 4.149 124.109 119.914 0.077 0.000 2.465 186 V HA 0.253 4.372 4.120 -0.002 0.000 0.279 186 V C -1.903 173.994 176.094 -0.329 0.000 1.045 186 V CA -2.259 59.918 62.300 -0.205 0.000 0.938 186 V CB 1.370 33.101 31.823 -0.153 0.000 0.986 186 V HN 0.207 nan 8.190 nan 0.000 0.467 187 P HA 0.120 nan 4.420 nan 0.000 0.271 187 P C 1.003 178.082 177.300 -0.368 0.000 1.216 187 P CA 0.014 62.874 63.100 -0.400 0.000 0.776 187 P CB 1.285 32.717 31.700 -0.446 0.000 0.881 188 V N 3.771 123.523 119.914 -0.270 0.000 2.392 188 V HA -0.233 3.886 4.120 -0.002 0.000 0.249 188 V C 2.327 178.244 176.094 -0.296 0.000 1.059 188 V CA 1.696 63.849 62.300 -0.246 0.000 1.051 188 V CB -0.939 30.756 31.823 -0.213 0.000 0.658 188 V HN 0.582 nan 8.190 nan 0.000 0.455 189 I N -0.572 119.780 120.570 -0.364 0.000 2.830 189 I HA 0.198 4.367 4.170 -0.002 0.000 0.263 189 I C 1.056 177.015 176.117 -0.264 0.000 1.230 189 I CA 1.008 62.065 61.300 -0.404 0.000 1.480 189 I CB -0.206 37.559 38.000 -0.392 0.000 1.095 189 I HN 0.513 nan 8.210 nan 0.000 0.455 190 G N -0.295 108.313 108.800 -0.321 0.000 2.663 190 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.686 190 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.686 190 G C -0.898 173.833 174.900 -0.281 0.000 1.246 190 G CA -0.550 44.359 45.100 -0.318 0.000 0.795 190 G HN 0.320 nan 8.290 nan 0.000 0.627 191 W N 1.843 123.122 121.300 -0.035 0.000 2.223 191 W HA 0.426 5.086 4.660 0.000 0.000 0.334 191 W C 1.736 178.235 176.519 -0.034 0.000 1.334 191 W CA -0.104 57.224 57.345 -0.027 0.000 1.246 191 W CB 0.436 29.887 29.460 -0.014 0.000 1.184 191 W HN 0.750 nan 8.180 nan 0.000 0.563 192 M N 2.834 122.558 119.600 0.207 0.000 2.088 192 M HA -0.365 4.114 4.480 -0.002 0.000 0.256 192 M C 2.030 178.380 176.300 0.082 0.000 1.071 192 M CA 2.094 57.449 55.300 0.092 0.000 1.097 192 M CB -0.970 31.669 32.600 0.064 0.000 1.315 192 M HN 0.592 nan 8.290 nan 0.000 0.406 193 N N -0.392 118.370 118.700 0.102 0.000 2.205 193 N HA -0.190 4.549 4.740 -0.002 0.000 0.186 193 N C 0.910 176.463 175.510 0.073 0.000 1.015 193 N CA 1.885 54.973 53.050 0.063 0.000 0.862 193 N CB -0.255 38.252 38.487 0.035 0.000 0.986 193 N HN 0.445 nan 8.380 nan 0.000 0.429 194 D N 0.461 120.933 120.400 0.120 0.000 2.194 194 D HA 0.033 4.672 4.640 -0.002 0.000 0.204 194 D C 2.047 178.384 176.300 0.062 0.000 0.964 194 D CA 0.324 54.385 54.000 0.101 0.000 0.846 194 D CB -0.125 40.764 40.800 0.147 0.000 0.962 194 D HN 0.364 nan 8.370 nan 0.000 0.490 195 I N 0.932 121.528 120.570 0.044 0.000 2.286 195 I HA -0.252 3.917 4.170 -0.002 0.000 0.248 195 I C 2.165 178.286 176.117 0.008 0.000 1.115 195 I CA 0.963 62.269 61.300 0.008 0.000 1.392 195 I CB -0.108 37.877 38.000 -0.024 0.000 1.065 195 I HN -0.051 nan 8.210 nan 0.000 0.418 196 Q N 0.260 120.068 119.800 0.012 0.000 2.297 196 Q HA -0.110 4.229 4.340 -0.002 0.000 0.204 196 Q C 1.301 177.320 176.000 0.032 0.000 0.962 196 Q CA 1.262 57.069 55.803 0.007 0.000 0.879 196 Q CB -0.505 28.235 28.738 0.003 0.000 0.947 196 Q HN 0.661 nan 8.270 nan 0.000 0.462 197 N N -0.496 118.232 118.700 0.048 0.000 2.280 197 N HA 0.123 4.862 4.740 -0.002 0.000 0.192 197 N C 0.288 175.847 175.510 0.082 0.000 1.109 197 N CA -0.303 52.781 53.050 0.056 0.000 0.855 197 N CB 0.406 38.920 38.487 0.045 0.000 0.974 197 N HN 0.146 nan 8.380 nan 0.000 0.482 198 M N 1.932 121.603 119.600 0.117 0.000 2.248 198 M HA 0.040 4.519 4.480 -0.002 0.000 0.337 198 M C 0.053 176.503 176.300 0.250 0.000 1.121 198 M CA 0.343 55.747 55.300 0.174 0.000 1.155 198 M CB 0.596 33.338 32.600 0.238 0.000 1.514 198 M HN 0.008 nan 8.290 nan 0.000 0.452 199 T N 1.712 116.290 114.554 0.039 0.000 2.912 199 T HA 0.676 5.025 4.350 -0.002 0.000 0.288 199 T C 0.781 174.998 174.700 -0.805 0.000 1.030 199 T CA -0.485 61.512 62.100 -0.172 0.000 1.020 199 T CB 1.635 70.438 68.868 -0.108 0.000 1.056 199 T HN 0.753 nan 8.240 nan 0.000 0.480 200 A N 1.048 123.171 122.820 -1.160 0.000 1.948 200 A HA -0.178 4.141 4.320 -0.002 0.000 0.220 200 A C 2.293 179.551 177.584 -0.544 0.000 1.177 200 A CA 2.337 53.672 52.037 -1.169 0.000 0.636 200 A CB -1.216 17.452 19.000 -0.554 0.000 0.815 200 A HN 0.876 nan 8.150 nan 0.000 0.449 201 Q N 0.153 119.757 119.800 -0.326 0.000 2.124 201 Q HA -0.168 4.171 4.340 -0.002 0.000 0.202 201 Q C 1.434 177.362 176.000 -0.119 0.000 0.977 201 Q CA 2.018 57.720 55.803 -0.168 0.000 0.850 201 Q CB -0.369 28.306 28.738 -0.105 0.000 0.901 201 Q HN 0.653 nan 8.270 nan 0.000 0.429 202 D N -0.880 119.437 120.400 -0.138 0.000 2.123 202 D HA -0.149 4.490 4.640 -0.002 0.000 0.196 202 D C 1.839 178.140 176.300 0.002 0.000 0.992 202 D CA 1.632 55.606 54.000 -0.044 0.000 0.833 202 D CB -0.094 40.677 40.800 -0.048 0.000 0.954 202 D HN 0.204 nan 8.370 nan 0.000 0.455 203 V N 1.485 121.335 119.914 -0.107 0.000 2.343 203 V HA -0.232 3.887 4.120 -0.002 0.000 0.247 203 V C 2.481 178.604 176.094 0.048 0.000 1.051 203 V CA 1.524 63.805 62.300 -0.032 0.000 1.036 203 V CB -0.455 31.292 31.823 -0.127 0.000 0.654 203 V HN 0.152 nan 8.190 nan 0.000 0.451 204 R N 0.185 120.669 120.500 -0.026 0.000 2.081 204 R HA -0.170 4.169 4.340 -0.002 0.000 0.235 204 R C 2.068 178.425 176.300 0.094 0.000 1.131 204 R CA 1.792 57.906 56.100 0.024 0.000 0.960 204 R CB -0.595 29.687 30.300 -0.029 0.000 0.856 204 R HN 0.493 nan 8.270 nan 0.000 0.436 205 D N -0.005 120.442 120.400 0.078 0.000 2.117 205 D HA -0.215 4.424 4.640 -0.002 0.000 0.197 205 D C 1.500 177.872 176.300 0.119 0.000 0.987 205 D CA 0.792 54.837 54.000 0.075 0.000 0.829 205 D CB -0.360 40.489 40.800 0.081 0.000 0.961 205 D HN 0.335 nan 8.370 nan 0.000 0.460 206 W N 0.525 121.841 121.300 0.026 0.000 2.355 206 W HA -0.270 4.389 4.660 -0.002 0.000 0.309 206 W C 2.203 178.775 176.519 0.089 0.000 1.206 206 W CA 0.960 58.376 57.345 0.118 0.000 1.284 206 W CB -0.606 28.929 29.460 0.125 0.000 1.145 206 W HN 0.049 nan 8.180 nan 0.000 0.502 207 Y N 1.964 122.278 120.300 0.024 0.000 2.145 207 Y HA -0.286 4.263 4.550 -0.002 0.000 0.286 207 Y C 2.714 178.547 175.900 -0.112 0.000 1.145 207 Y CA 3.117 61.090 58.100 -0.212 0.000 1.148 207 Y CB -0.833 37.485 38.460 -0.237 0.000 0.981 207 Y HN -0.069 nan 8.280 nan 0.000 0.507 208 K N 0.342 120.702 120.400 -0.067 0.000 2.147 208 K HA -0.214 4.105 4.320 -0.002 0.000 0.205 208 K C 2.460 178.906 176.600 -0.258 0.000 1.049 208 K CA 1.539 57.726 56.287 -0.166 0.000 0.936 208 K CB -0.273 32.199 32.500 -0.046 0.000 0.722 208 K HN 0.327 nan 8.250 nan 0.000 0.446 209 R N -0.941 119.354 120.500 -0.341 0.000 2.093 209 R HA -0.074 4.265 4.340 -0.002 0.000 0.224 209 R C 1.099 176.995 176.300 -0.674 0.000 1.101 209 R CA 1.566 57.294 56.100 -0.620 0.000 0.979 209 R CB -0.086 29.660 30.300 -0.922 0.000 0.877 209 R HN 0.355 nan 8.270 nan 0.000 0.441 210 W N -1.617 119.534 121.300 -0.248 0.000 2.901 210 W HA 0.205 4.864 4.660 -0.002 0.000 0.281 210 W C -0.269 176.270 176.519 0.032 0.000 1.167 210 W CA -0.732 56.517 57.345 -0.160 0.000 1.506 210 W CB 0.518 29.779 29.460 -0.331 0.000 0.985 210 W HN -0.097 nan 8.180 nan 0.000 0.590 211 Y N 1.685 121.876 120.300 -0.182 0.000 2.751 211 Y HA 0.566 5.115 4.550 -0.002 0.000 0.333 211 Y C 0.597 176.408 175.900 -0.148 0.000 1.122 211 Y CA -1.019 56.918 58.100 -0.271 0.000 1.367 211 Y CB 0.192 38.264 38.460 -0.646 0.000 1.242 211 Y HN -0.158 nan 8.280 nan 0.000 0.505 212 G N 2.328 111.214 108.800 0.144 0.000 2.695 212 G HA2 0.357 4.316 3.960 -0.002 0.000 0.290 212 G HA3 0.357 4.316 3.960 -0.002 0.000 0.290 212 G C -2.292 172.675 174.900 0.111 0.000 1.410 212 G CA -1.524 43.631 45.100 0.091 0.000 0.844 212 G HN 0.047 nan 8.290 nan 0.000 0.478 213 P HA -0.113 nan 4.420 nan 0.000 0.216 213 P C 1.121 178.423 177.300 0.004 0.000 1.150 213 P CA 1.039 64.162 63.100 0.039 0.000 0.837 213 P CB 0.085 31.821 31.700 0.060 0.000 0.786 214 N N -0.702 118.011 118.700 0.021 0.000 2.521 214 N HA -0.083 4.656 4.740 -0.002 0.000 0.188 214 N C 0.759 176.288 175.510 0.032 0.000 1.146 214 N CA 0.462 53.522 53.050 0.015 0.000 0.893 214 N CB -0.883 37.613 38.487 0.016 0.000 0.975 214 N HN 0.116 nan 8.380 nan 0.000 0.451 215 N N -0.222 118.509 118.700 0.052 0.000 2.241 215 N HA 0.281 5.020 4.740 -0.002 0.000 0.238 215 N C -1.170 174.361 175.510 0.036 0.000 1.244 215 N CA -0.302 52.803 53.050 0.091 0.000 0.880 215 N CB 0.903 39.504 38.487 0.190 0.000 1.179 215 N HN 0.328 nan 8.380 nan 0.000 0.513 216 A N -0.875 121.899 122.820 -0.076 0.000 2.423 216 A HA 0.803 5.122 4.320 -0.002 0.000 0.304 216 A C -0.869 176.594 177.584 -0.201 0.000 1.104 216 A CA -0.450 51.435 52.037 -0.254 0.000 0.757 216 A CB 1.271 19.965 19.000 -0.510 0.000 1.313 216 A HN 0.103 nan 8.150 nan 0.000 0.423 217 T N 1.051 115.487 114.554 -0.197 0.000 2.881 217 T HA 0.493 4.842 4.350 -0.002 0.000 0.291 217 T C -0.901 173.714 174.700 -0.142 0.000 0.990 217 T CA -0.317 61.694 62.100 -0.150 0.000 0.976 217 T CB 1.260 70.052 68.868 -0.128 0.000 0.970 217 T HN 0.491 nan 8.240 nan 0.000 0.438 218 V N 4.097 123.901 119.914 -0.184 0.000 2.407 218 V HA 0.461 4.580 4.120 -0.002 0.000 0.278 218 V C -0.116 175.955 176.094 -0.038 0.000 1.037 218 V CA -0.551 61.650 62.300 -0.165 0.000 0.900 218 V CB 1.505 33.160 31.823 -0.280 0.000 0.983 218 V HN 0.711 nan 8.190 nan 0.000 0.459 219 V N 6.025 125.942 119.914 0.005 0.000 2.448 219 V HA 0.496 4.615 4.120 -0.002 0.000 0.295 219 V C -0.304 175.841 176.094 0.086 0.000 1.025 219 V CA -0.553 61.766 62.300 0.031 0.000 0.859 219 V CB 1.948 33.783 31.823 0.020 0.000 0.988 219 V HN 0.580 nan 8.190 nan 0.000 0.431 220 V N 5.726 125.701 119.914 0.100 0.000 2.407 220 V HA 0.562 4.681 4.120 -0.002 0.000 0.291 220 V C -0.408 175.717 176.094 0.052 0.000 1.018 220 V CA -0.609 61.770 62.300 0.132 0.000 0.842 220 V CB 1.887 33.810 31.823 0.166 0.000 0.996 220 V HN 0.680 nan 8.190 nan 0.000 0.426 221 V N 4.550 124.491 119.914 0.045 0.000 2.483 221 V HA 1.078 5.197 4.120 -0.002 0.000 0.297 221 V C -0.014 176.078 176.094 -0.004 0.000 1.027 221 V CA 0.859 63.154 62.300 -0.008 0.000 0.855 221 V CB 1.053 32.854 31.823 -0.037 0.000 0.995 221 V HN 1.312 nan 8.190 nan 0.000 0.424 222 G N 4.657 113.431 108.800 -0.043 0.000 2.356 222 G HA2 0.130 4.089 3.960 -0.002 0.000 0.266 222 G HA3 0.130 4.089 3.960 -0.002 0.000 0.266 222 G C -1.254 173.595 174.900 -0.084 0.000 1.312 222 G CA -0.147 44.926 45.100 -0.045 0.000 0.922 222 G HN 0.984 nan 8.290 nan 0.000 0.480 223 D N 0.818 121.211 120.400 -0.012 0.000 2.545 223 D HA 0.420 5.059 4.640 -0.002 0.000 0.227 223 D C 0.610 176.985 176.300 0.124 0.000 1.150 223 D CA 0.648 54.704 54.000 0.093 0.000 1.046 223 D CB -0.176 40.717 40.800 0.154 0.000 1.098 223 D HN 1.041 nan 8.370 nan 0.000 0.502 224 V N -0.472 119.496 119.914 0.090 0.000 3.181 224 V HA 0.657 4.775 4.120 -0.002 0.000 0.308 224 V C -0.697 175.451 176.094 0.090 0.000 1.214 224 V CA -1.046 61.297 62.300 0.071 0.000 1.053 224 V CB 2.306 34.129 31.823 0.000 0.000 1.069 224 V HN 0.023 nan 8.190 nan 0.000 0.441 225 E N 1.128 121.313 120.200 -0.024 0.000 2.151 225 E HA 0.310 4.659 4.350 -0.002 0.000 0.275 225 E C 0.486 176.894 176.600 -0.320 0.000 0.936 225 E CA -0.075 56.248 56.400 -0.127 0.000 0.777 225 E CB 1.574 31.179 29.700 -0.158 0.000 1.108 225 E HN 1.095 nan 8.360 nan 0.000 0.401 226 H N 1.710 120.487 119.070 -0.488 0.000 2.387 226 H HA -0.076 4.479 4.556 -0.002 0.000 0.299 226 H C 1.036 175.781 175.328 -0.973 0.000 1.099 226 H CA 1.542 57.097 56.048 -0.822 0.000 1.315 226 H CB 0.338 29.434 29.762 -1.110 0.000 1.380 226 H HN 0.298 nan 8.280 nan 0.000 0.513 227 E N 0.950 120.537 120.200 -1.020 0.000 2.152 227 E HA -0.039 4.310 4.350 -0.002 0.000 0.192 227 E C 2.578 179.016 176.600 -0.270 0.000 0.983 227 E CA 0.855 56.951 56.400 -0.507 0.000 0.818 227 E CB -0.398 29.053 29.700 -0.415 0.000 0.758 227 E HN 0.653 nan 8.360 nan 0.000 0.467 228 A N 1.246 123.895 122.820 -0.285 0.000 1.883 228 A HA -0.169 4.150 4.320 -0.002 0.000 0.217 228 A C 2.626 180.146 177.584 -0.107 0.000 1.186 228 A CA 1.717 53.661 52.037 -0.154 0.000 0.624 228 A CB -0.831 18.085 19.000 -0.140 0.000 0.822 228 A HN 0.134 nan 8.150 nan 0.000 0.444 229 V N -0.705 119.103 119.914 -0.177 0.000 2.287 229 V HA -0.261 3.858 4.120 -0.002 0.000 0.248 229 V C 2.395 178.544 176.094 0.090 0.000 1.053 229 V CA 2.143 64.396 62.300 -0.079 0.000 1.027 229 V CB -1.099 30.639 31.823 -0.142 0.000 0.646 229 V HN 0.529 nan 8.190 nan 0.000 0.447 230 F N 0.531 120.501 119.950 0.034 0.000 2.095 230 F HA -0.136 4.390 4.527 -0.002 0.000 0.298 230 F C 2.572 178.397 175.800 0.041 0.000 1.104 230 F CA 1.527 59.557 58.000 0.051 0.000 1.232 230 F CB -1.179 37.850 39.000 0.049 0.000 0.987 230 F HN 0.033 nan 8.300 nan 0.000 0.475 231 R N 0.151 120.766 120.500 0.192 0.000 2.083 231 R HA -0.171 4.168 4.340 -0.002 0.000 0.237 231 R C 2.171 178.525 176.300 0.090 0.000 1.137 231 R CA 0.978 57.141 56.100 0.105 0.000 0.951 231 R CB -1.141 29.185 30.300 0.043 0.000 0.851 231 R HN 0.242 nan 8.270 nan 0.000 0.434 232 L N -0.100 121.172 121.223 0.081 0.000 2.083 232 L HA -0.015 4.323 4.340 -0.002 0.000 0.209 232 L C 1.956 178.893 176.870 0.112 0.000 1.083 232 L CA 2.074 56.953 54.840 0.065 0.000 0.752 232 L CB -0.744 41.340 42.059 0.041 0.000 0.899 232 L HN 0.217 nan 8.230 nan 0.000 0.433 233 A N -0.840 122.100 122.820 0.200 0.000 1.898 233 A HA -0.207 4.112 4.320 -0.002 0.000 0.216 233 A C 2.152 179.870 177.584 0.223 0.000 1.181 233 A CA 1.642 53.859 52.037 0.299 0.000 0.620 233 A CB -0.582 18.623 19.000 0.343 0.000 0.819 233 A HN 0.570 nan 8.150 nan 0.000 0.442 234 E N -0.394 119.901 120.200 0.157 0.000 2.153 234 E HA -0.206 4.143 4.350 -0.002 0.000 0.194 234 E C 1.842 178.490 176.600 0.080 0.000 0.988 234 E CA 1.377 57.842 56.400 0.108 0.000 0.811 234 E CB -0.113 29.637 29.700 0.085 0.000 0.746 234 E HN 0.745 nan 8.360 nan 0.000 0.466 235 Q N -0.638 119.200 119.800 0.063 0.000 2.319 235 Q HA 0.027 4.366 4.340 -0.002 0.000 0.202 235 Q C 1.314 177.315 176.000 0.003 0.000 0.896 235 Q CA 0.925 56.745 55.803 0.030 0.000 0.942 235 Q CB 0.829 29.578 28.738 0.019 0.000 1.083 235 Q HN 0.311 nan 8.270 nan 0.000 0.510 236 T N -3.630 110.920 114.554 -0.007 0.000 3.463 236 T HA 0.017 4.366 4.350 -0.002 0.000 0.203 236 T C 1.352 176.009 174.700 -0.070 0.000 0.955 236 T CA -0.091 61.948 62.100 -0.103 0.000 1.230 236 T CB -0.779 67.934 68.868 -0.258 0.000 1.392 236 T HN 0.025 nan 8.240 nan 0.000 0.361 237 Y N 2.400 122.738 120.300 0.064 0.000 2.207 237 Y HA 0.145 4.694 4.550 -0.002 0.000 0.287 237 Y C 2.893 178.820 175.900 0.045 0.000 1.156 237 Y CA 1.156 59.294 58.100 0.062 0.000 1.182 237 Y CB -1.026 37.475 38.460 0.069 0.000 0.979 237 Y HN 0.518 nan 8.280 nan 0.000 0.521 238 G N -0.321 108.595 108.800 0.193 0.000 2.559 238 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.216 238 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.216 238 G C 1.492 176.438 174.900 0.077 0.000 1.126 238 G CA 0.427 45.597 45.100 0.118 0.000 0.778 238 G HN 0.349 nan 8.290 nan 0.000 0.543 239 K N -0.711 119.729 120.400 0.068 0.000 2.404 239 K HA 0.203 4.522 4.320 -0.002 0.000 0.194 239 K C -0.226 176.403 176.600 0.048 0.000 1.023 239 K CA -0.445 55.869 56.287 0.045 0.000 1.094 239 K CB 0.325 32.843 32.500 0.029 0.000 0.841 239 K HN 0.136 nan 8.250 nan 0.000 0.523 240 L N 1.307 122.572 121.223 0.069 0.000 2.371 240 L HA 0.175 4.514 4.340 -0.002 0.000 0.272 240 L C 0.317 177.216 176.870 0.050 0.000 1.124 240 L CA -0.150 54.731 54.840 0.067 0.000 0.816 240 L CB 0.814 42.934 42.059 0.102 0.000 1.129 240 L HN 0.029 nan 8.230 nan 0.000 0.448 241 A N 4.454 127.294 122.820 0.034 0.000 2.371 241 A HA 0.437 4.755 4.320 -0.002 0.000 0.257 241 A C 0.483 178.076 177.584 0.015 0.000 1.089 241 A CA -0.453 51.596 52.037 0.020 0.000 0.794 241 A CB 0.137 19.143 19.000 0.010 0.000 1.029 241 A HN 0.711 nan 8.150 nan 0.000 0.488 242 R N 0.182 120.687 120.500 0.007 0.000 2.734 242 R HA 0.305 4.644 4.340 -0.002 0.000 0.266 242 R C -0.690 175.598 176.300 -0.020 0.000 1.044 242 R CA -0.063 56.037 56.100 -0.001 0.000 1.128 242 R CB 0.383 30.680 30.300 -0.005 0.000 1.010 242 R HN 0.464 nan 8.270 nan 0.000 0.461 243 V N 2.445 122.340 119.914 -0.031 0.000 2.472 243 V HA 0.062 4.181 4.120 -0.002 0.000 0.290 243 V C 0.254 176.300 176.094 -0.080 0.000 1.037 243 V CA -0.696 61.562 62.300 -0.070 0.000 0.908 243 V CB 1.528 33.292 31.823 -0.099 0.000 0.985 243 V HN 0.791 nan 8.190 nan 0.000 0.454 244 E N 3.369 123.507 120.200 -0.103 0.000 1.833 244 E HA 0.317 4.666 4.350 -0.002 0.000 0.258 244 E C 0.133 176.626 176.600 -0.178 0.000 1.257 244 E CA -0.241 56.092 56.400 -0.111 0.000 1.003 244 E CB 0.389 30.026 29.700 -0.106 0.000 1.068 244 E HN 0.676 nan 8.360 nan 0.000 0.422 245 A N 5.363 128.104 122.820 -0.131 0.000 2.437 245 A HA 0.275 4.594 4.320 -0.002 0.000 0.303 245 A C -2.065 175.450 177.584 -0.115 0.000 1.324 245 A CA -1.481 50.459 52.037 -0.162 0.000 0.983 245 A CB -0.149 18.884 19.000 0.056 0.000 1.142 245 A HN 0.476 nan 8.150 nan 0.000 0.541 246 P HA 0.254 nan 4.420 nan 0.000 0.267 246 P C 0.185 177.510 177.300 0.042 0.000 1.205 246 P CA 0.123 63.155 63.100 -0.113 0.000 0.765 246 P CB 0.663 32.254 31.700 -0.182 0.000 0.828 247 A N 4.672 127.515 122.820 0.038 0.000 2.566 247 A HA 0.037 4.356 4.320 -0.002 0.000 0.245 247 A C 0.378 178.016 177.584 0.089 0.000 1.056 247 A CA 0.149 52.226 52.037 0.066 0.000 0.757 247 A CB -0.315 18.706 19.000 0.035 0.000 0.979 247 A HN 0.492 nan 8.150 nan 0.000 0.508 248 R N 2.264 122.831 120.500 0.112 0.000 2.349 248 R HA 0.321 4.660 4.340 -0.002 0.000 0.299 248 R C -0.349 175.986 176.300 0.058 0.000 1.027 248 R CA -0.579 55.590 56.100 0.113 0.000 0.958 248 R CB 1.088 31.456 30.300 0.114 0.000 1.047 248 R HN 0.694 nan 8.270 nan 0.000 0.468 249 K N 2.295 122.723 120.400 0.047 0.000 2.485 249 K HA -0.063 4.256 4.320 -0.002 0.000 0.277 249 K C -0.325 176.275 176.600 -0.000 0.000 0.990 249 K CA 0.297 56.597 56.287 0.021 0.000 0.994 249 K CB 0.463 32.972 32.500 0.016 0.000 0.906 249 K HN 0.342 nan 8.250 nan 0.000 0.488 250 Q N 3.105 122.902 119.800 -0.004 0.000 2.472 250 Q HA 0.060 4.399 4.340 -0.002 0.000 0.227 250 Q C -0.521 175.458 176.000 -0.036 0.000 1.156 250 Q CA 0.105 55.899 55.803 -0.014 0.000 0.924 250 Q CB 0.449 29.189 28.738 0.003 0.000 1.354 250 Q HN 0.325 nan 8.270 nan 0.000 0.525 251 Q N 0.570 120.314 119.800 -0.093 0.000 2.443 251 Q HA 0.583 4.922 4.340 -0.002 0.000 0.232 251 Q C 0.218 176.159 176.000 -0.097 0.000 1.026 251 Q CA 0.099 55.811 55.803 -0.152 0.000 0.924 251 Q CB 0.765 29.315 28.738 -0.314 0.000 1.256 251 Q HN 0.702 nan 8.270 nan 0.000 0.519 252 G N 0.012 108.786 108.800 -0.045 0.000 2.975 252 G HA2 0.472 4.431 3.960 -0.002 0.000 0.291 252 G HA3 0.472 4.431 3.960 -0.002 0.000 0.291 252 G C -1.664 173.329 174.900 0.155 0.000 1.334 252 G CA -0.413 44.743 45.100 0.093 0.000 0.843 252 G HN 0.463 nan 8.290 nan 0.000 0.548 253 E N 0.590 120.872 120.200 0.136 0.000 2.287 253 E HA 0.526 4.874 4.350 -0.002 0.000 0.274 253 E C -2.445 174.181 176.600 0.042 0.000 0.896 253 E CA -1.392 55.083 56.400 0.126 0.000 0.788 253 E CB 1.808 31.619 29.700 0.185 0.000 1.244 253 E HN 0.417 nan 8.360 nan 0.000 0.408 254 P HA 0.097 nan 4.420 nan 0.000 0.272 254 P C -0.572 176.710 177.300 -0.030 0.000 1.223 254 P CA -0.443 62.662 63.100 0.009 0.000 0.784 254 P CB 0.639 32.351 31.700 0.020 0.000 0.923 255 Q N 1.196 120.981 119.800 -0.026 0.000 2.330 255 Q HA -0.004 4.335 4.340 -0.002 0.000 0.279 255 Q C 0.172 176.153 176.000 -0.032 0.000 1.024 255 Q CA 0.470 56.247 55.803 -0.043 0.000 0.900 255 Q CB 0.554 29.286 28.738 -0.010 0.000 1.221 255 Q HN 0.475 nan 8.270 nan 0.000 0.396 256 Q N 1.084 120.859 119.800 -0.042 0.000 2.288 256 Q HA 0.377 4.716 4.340 -0.002 0.000 0.258 256 Q C -1.017 175.007 176.000 0.041 0.000 0.957 256 Q CA -0.136 55.680 55.803 0.022 0.000 0.919 256 Q CB 0.629 29.428 28.738 0.102 0.000 1.185 256 Q HN 0.618 nan 8.270 nan 0.000 0.408 257 A N 3.802 126.642 122.820 0.032 0.000 3.105 257 A HA 0.655 4.974 4.320 -0.002 0.000 0.297 257 A C -0.234 177.366 177.584 0.027 0.000 0.977 257 A CA 0.167 52.223 52.037 0.031 0.000 1.020 257 A CB 0.239 19.252 19.000 0.023 0.000 1.098 257 A HN 0.810 nan 8.150 nan 0.000 0.497 258 G N -0.826 107.991 108.800 0.029 0.000 2.378 258 G HA2 0.442 4.401 3.960 -0.002 0.000 0.302 258 G HA3 0.442 4.401 3.960 -0.002 0.000 0.302 258 G C -0.858 174.044 174.900 0.004 0.000 1.669 258 G CA -0.128 44.982 45.100 0.017 0.000 0.920 258 G HN 0.956 nan 8.290 nan 0.000 0.697 259 V N 1.216 121.124 119.914 -0.011 0.000 2.901 259 V HA 0.505 4.624 4.120 -0.002 0.000 0.307 259 V C 0.476 176.543 176.094 -0.045 0.000 1.084 259 V CA 0.335 62.608 62.300 -0.046 0.000 1.184 259 V CB 0.524 32.316 31.823 -0.052 0.000 0.941 259 V HN 0.762 nan 8.190 nan 0.000 0.493 260 R N 5.536 125.993 120.500 -0.072 0.000 2.621 260 R HA 0.650 4.989 4.340 -0.002 0.000 0.292 260 R C -0.992 175.261 176.300 -0.078 0.000 0.969 260 R CA -0.730 55.335 56.100 -0.058 0.000 0.887 260 R CB 2.109 32.381 30.300 -0.046 0.000 1.180 260 R HN 0.667 nan 8.270 nan 0.000 0.450 261 R N 1.412 121.878 120.500 -0.056 0.000 2.621 261 R HA 0.573 4.912 4.340 -0.002 0.000 0.292 261 R C -1.410 174.868 176.300 -0.037 0.000 0.969 261 R CA -0.946 55.120 56.100 -0.057 0.000 0.887 261 R CB 2.644 32.915 30.300 -0.049 0.000 1.180 261 R HN 0.291 nan 8.270 nan 0.000 0.450 262 V N 2.047 121.940 119.914 -0.036 0.000 2.760 262 V HA 0.515 4.634 4.120 -0.002 0.000 0.309 262 V C -1.085 175.004 176.094 -0.009 0.000 1.077 262 V CA -0.237 62.053 62.300 -0.016 0.000 0.910 262 V CB 2.528 34.346 31.823 -0.007 0.000 1.008 262 V HN 0.783 nan 8.190 nan 0.000 0.424 263 T N 6.051 120.605 114.554 0.000 0.000 2.823 263 T HA 0.684 5.033 4.350 -0.002 0.000 0.279 263 T C -0.562 174.149 174.700 0.018 0.000 0.998 263 T CA -0.365 61.740 62.100 0.008 0.000 0.994 263 T CB 1.463 70.334 68.868 0.005 0.000 0.960 263 T HN 1.110 nan 8.240 nan 0.000 0.448 264 V N 0.775 120.705 119.914 0.027 0.000 2.604 264 V HA 0.703 4.822 4.120 -0.002 0.000 0.305 264 V C -0.777 175.336 176.094 0.032 0.000 1.043 264 V CA -1.163 61.156 62.300 0.032 0.000 0.888 264 V CB 1.634 33.482 31.823 0.041 0.000 0.995 264 V HN 0.734 nan 8.190 nan 0.000 0.429 265 K N 3.094 123.510 120.400 0.027 0.000 2.235 265 K HA 0.891 5.210 4.320 -0.002 0.000 0.266 265 K C -0.475 176.141 176.600 0.026 0.000 0.980 265 K CA -0.318 55.984 56.287 0.025 0.000 0.849 265 K CB 2.069 34.580 32.500 0.019 0.000 1.098 265 K HN 1.182 nan 8.250 nan 0.000 0.445 266 A N 3.544 126.381 122.820 0.028 0.000 2.566 266 A HA 0.458 4.777 4.320 -0.002 0.000 0.297 266 A C -2.828 174.772 177.584 0.027 0.000 1.059 266 A CA -1.577 50.476 52.037 0.027 0.000 0.691 266 A CB 1.113 20.130 19.000 0.028 0.000 1.282 266 A HN 0.433 nan 8.150 nan 0.000 0.401 267 P HA 0.369 nan 4.420 nan 0.000 0.260 267 P C -0.248 177.068 177.300 0.026 0.000 1.207 267 P CA 0.861 63.976 63.100 0.026 0.000 0.780 267 P CB 0.601 32.317 31.700 0.027 0.000 0.789 268 A N 3.504 126.340 122.820 0.026 0.000 2.608 268 A HA 0.331 4.650 4.320 -0.002 0.000 0.292 268 A C 0.744 178.345 177.584 0.028 0.000 1.066 268 A CA -0.559 51.494 52.037 0.027 0.000 0.676 268 A CB 0.888 19.907 19.000 0.033 0.000 1.277 268 A HN 0.369 nan 8.150 nan 0.000 0.413 269 E N -0.187 120.030 120.200 0.028 0.000 2.230 269 E HA 0.131 4.480 4.350 -0.002 0.000 0.192 269 E C -0.232 176.389 176.600 0.034 0.000 0.987 269 E CA 0.758 57.174 56.400 0.027 0.000 0.841 269 E CB 0.149 29.862 29.700 0.022 0.000 0.783 269 E HN 0.526 nan 8.360 nan 0.000 0.481 270 L N 1.155 122.407 121.223 0.048 0.000 2.370 270 L HA 0.398 4.737 4.340 -0.002 0.000 0.266 270 L C -2.467 174.453 176.870 0.084 0.000 1.002 270 L CA -2.424 52.453 54.840 0.061 0.000 0.818 270 L CB 1.930 44.032 42.059 0.071 0.000 1.325 270 L HN -0.207 nan 8.230 nan 0.000 0.418 271 P HA 0.166 nan 4.420 nan 0.000 0.273 271 P C -1.763 175.636 177.300 0.166 0.000 1.250 271 P CA -0.113 63.041 63.100 0.092 0.000 0.793 271 P CB 0.446 32.172 31.700 0.043 0.000 1.011 272 Y N 0.342 120.654 120.300 0.019 0.000 2.470 272 Y HA 0.580 5.129 4.550 -0.002 0.000 0.341 272 Y C -1.508 174.400 175.900 0.014 0.000 1.021 272 Y CA -1.086 57.030 58.100 0.027 0.000 1.025 272 Y CB 1.633 40.120 38.460 0.045 0.000 1.266 272 Y HN 0.194 nan 8.280 nan 0.000 0.448 273 L N 4.889 125.907 121.223 -0.342 0.000 2.385 273 L HA 0.963 5.302 4.340 -0.002 0.000 0.273 273 L C -1.486 175.250 176.870 -0.224 0.000 0.990 273 L CA -0.435 54.296 54.840 -0.181 0.000 0.821 273 L CB 1.687 43.653 42.059 -0.154 0.000 1.279 273 L HN 0.673 nan 8.230 nan 0.000 0.412 274 A N 4.937 127.711 122.820 -0.077 0.000 2.393 274 A HA 0.840 5.159 4.320 -0.002 0.000 0.306 274 A C -1.837 175.659 177.584 -0.147 0.000 1.050 274 A CA -0.438 51.545 52.037 -0.090 0.000 0.724 274 A CB 1.292 20.236 19.000 -0.093 0.000 1.248 274 A HN 0.562 nan 8.150 nan 0.000 0.424 275 L N 1.470 122.605 121.223 -0.146 0.000 2.341 275 L HA 0.793 5.132 4.340 -0.002 0.000 0.278 275 L C 0.209 176.935 176.870 -0.240 0.000 1.005 275 L CA 0.067 54.749 54.840 -0.264 0.000 0.818 275 L CB 1.933 43.830 42.059 -0.270 0.000 1.259 275 L HN 0.908 nan 8.230 nan 0.000 0.418 276 A N 3.351 125.937 122.820 -0.390 0.000 2.375 276 A HA 0.684 5.003 4.320 -0.002 0.000 0.295 276 A C -1.688 175.700 177.584 -0.326 0.000 1.066 276 A CA -0.526 51.371 52.037 -0.232 0.000 0.722 276 A CB 0.888 19.736 19.000 -0.253 0.000 1.206 276 A HN 0.593 nan 8.150 nan 0.000 0.435 277 W N 1.705 122.971 121.300 -0.056 0.000 2.573 277 W HA 0.316 4.975 4.660 -0.001 0.000 0.326 277 W C -0.301 176.164 176.519 -0.089 0.000 1.049 277 W CA -0.388 56.916 57.345 -0.068 0.000 1.220 277 W CB 1.193 30.658 29.460 0.008 0.000 1.373 277 W HN 0.799 nan 8.180 nan 0.000 0.507 278 H N 1.137 120.328 119.070 0.202 0.000 2.929 278 H HA 0.236 4.790 4.556 -0.002 0.000 0.317 278 H C 0.452 175.887 175.328 0.178 0.000 1.031 278 H CA 0.494 56.631 56.048 0.149 0.000 1.466 278 H CB 0.725 30.529 29.762 0.070 0.000 1.482 278 H HN 0.161 nan 8.280 nan 0.000 0.561 279 V N 1.436 121.530 119.914 0.301 0.000 3.181 279 V HA 0.585 4.704 4.120 -0.002 0.000 0.308 279 V C -2.757 173.458 176.094 0.201 0.000 1.214 279 V CA -2.869 59.542 62.300 0.185 0.000 1.053 279 V CB 1.956 33.834 31.823 0.093 0.000 1.069 279 V HN 0.473 nan 8.190 nan 0.000 0.441 280 P HA 0.561 nan 4.420 nan 0.000 0.271 280 P C -0.515 176.914 177.300 0.215 0.000 1.218 280 P CA 0.277 63.458 63.100 0.135 0.000 0.780 280 P CB 0.779 32.523 31.700 0.073 0.000 0.901 281 A N 2.542 125.468 122.820 0.177 0.000 2.309 281 A HA 0.583 4.902 4.320 -0.002 0.000 0.317 281 A C -0.127 177.500 177.584 0.073 0.000 1.134 281 A CA -0.980 51.158 52.037 0.169 0.000 0.866 281 A CB 0.423 19.500 19.000 0.127 0.000 1.329 281 A HN 0.491 nan 8.150 nan 0.000 0.477 282 I N 1.364 121.942 120.570 0.012 0.000 2.587 282 I HA 0.050 4.219 4.170 -0.002 0.000 0.284 282 I C 0.654 176.775 176.117 0.007 0.000 1.134 282 I CA 0.132 61.405 61.300 -0.044 0.000 1.410 282 I CB 0.704 38.652 38.000 -0.087 0.000 1.392 282 I HN 0.404 nan 8.210 nan 0.000 0.545 283 V N 4.109 124.033 119.914 0.017 0.000 2.721 283 V HA 0.076 4.195 4.120 -0.002 0.000 0.236 283 V C 0.456 176.570 176.094 0.034 0.000 1.116 283 V CA 0.661 62.978 62.300 0.029 0.000 1.148 283 V CB 0.023 31.866 31.823 0.033 0.000 0.886 283 V HN 0.714 nan 8.190 nan 0.000 0.490 284 D N 0.035 120.461 120.400 0.043 0.000 2.303 284 D HA 0.300 4.939 4.640 -0.002 0.000 0.236 284 D C 0.773 177.131 176.300 0.097 0.000 1.068 284 D CA -0.197 53.837 54.000 0.057 0.000 0.830 284 D CB 1.958 42.789 40.800 0.050 0.000 1.109 284 D HN 0.045 nan 8.370 nan 0.000 0.496 285 L N 2.685 123.978 121.223 0.115 0.000 2.191 285 L HA -0.121 4.218 4.340 -0.002 0.000 0.212 285 L C 1.442 178.464 176.870 0.253 0.000 1.103 285 L CA 0.990 55.958 54.840 0.213 0.000 0.769 285 L CB 0.068 42.236 42.059 0.182 0.000 0.908 285 L HN 0.396 nan 8.230 nan 0.000 0.438 286 D N -0.944 119.539 120.400 0.140 0.000 2.349 286 D HA 0.010 4.649 4.640 -0.002 0.000 0.215 286 D C 1.308 177.666 176.300 0.097 0.000 1.016 286 D CA 0.543 54.596 54.000 0.089 0.000 0.870 286 D CB 0.530 41.354 40.800 0.040 0.000 0.917 286 D HN 0.349 nan 8.370 nan 0.000 0.524 287 K N -0.550 119.932 120.400 0.137 0.000 4.564 287 K HA 0.216 4.535 4.320 -0.002 0.000 0.234 287 K C 0.512 177.233 176.600 0.201 0.000 1.062 287 K CA -0.250 56.110 56.287 0.122 0.000 1.948 287 K CB 0.347 32.891 32.500 0.075 0.000 2.935 287 K HN -0.358 nan 8.250 nan 0.000 0.681 288 S N 1.633 117.408 115.700 0.126 0.000 3.521 288 S HA -0.164 4.305 4.470 -0.002 0.000 0.362 288 S C 0.835 175.526 174.600 0.152 0.000 1.044 288 S CA 0.443 58.692 58.200 0.082 0.000 1.091 288 S CB -1.032 62.147 63.200 -0.036 0.000 0.908 288 S HN 0.318 nan 8.310 nan 0.000 0.473 289 R N 1.540 122.140 120.500 0.166 0.000 2.103 289 R HA -0.123 4.216 4.340 -0.002 0.000 0.242 289 R C 1.743 178.109 176.300 0.109 0.000 1.142 289 R CA 1.722 57.921 56.100 0.164 0.000 0.960 289 R CB -0.751 29.595 30.300 0.076 0.000 0.858 289 R HN 0.639 nan 8.270 nan 0.000 0.439 290 D N 0.461 120.892 120.400 0.050 0.000 2.117 290 D HA -0.114 4.525 4.640 -0.002 0.000 0.197 290 D C 1.755 178.051 176.300 -0.006 0.000 0.987 290 D CA 1.543 55.545 54.000 0.004 0.000 0.829 290 D CB 0.005 40.799 40.800 -0.010 0.000 0.961 290 D HN 0.216 nan 8.370 nan 0.000 0.460 291 A N 0.439 123.266 122.820 0.012 0.000 1.930 291 A HA -0.181 4.138 4.320 -0.002 0.000 0.217 291 A C 1.957 179.579 177.584 0.063 0.000 1.175 291 A CA 1.017 53.087 52.037 0.054 0.000 0.627 291 A CB -0.898 18.119 19.000 0.029 0.000 0.815 291 A HN 0.193 nan 8.150 nan 0.000 0.443 292 Y N -0.063 120.274 120.300 0.062 0.000 2.242 292 Y HA -0.055 4.494 4.550 -0.002 0.000 0.291 292 Y C 2.870 178.765 175.900 -0.008 0.000 1.137 292 Y CA 0.688 58.780 58.100 -0.014 0.000 1.181 292 Y CB -0.603 37.798 38.460 -0.098 0.000 0.989 292 Y HN 0.323 nan 8.280 nan 0.000 0.527 293 A N -0.254 122.640 122.820 0.123 0.000 1.969 293 A HA -0.113 4.206 4.320 -0.002 0.000 0.218 293 A C 2.181 179.763 177.584 -0.003 0.000 1.169 293 A CA 1.277 53.336 52.037 0.036 0.000 0.635 293 A CB -0.998 17.994 19.000 -0.012 0.000 0.810 293 A HN 0.477 nan 8.150 nan 0.000 0.445 294 L N -0.652 120.536 121.223 -0.058 0.000 2.201 294 L HA -0.127 4.212 4.340 -0.002 0.000 0.212 294 L C 2.554 179.498 176.870 0.122 0.000 1.105 294 L CA 0.880 55.621 54.840 -0.164 0.000 0.775 294 L CB -0.391 41.292 42.059 -0.626 0.000 0.913 294 L HN 0.370 nan 8.230 nan 0.000 0.440 295 E N 0.283 120.645 120.200 0.270 0.000 2.047 295 E HA -0.181 4.168 4.350 -0.002 0.000 0.191 295 E C 2.295 179.038 176.600 0.239 0.000 0.987 295 E CA 1.137 57.757 56.400 0.366 0.000 0.799 295 E CB -0.013 29.873 29.700 0.309 0.000 0.752 295 E HN 0.360 nan 8.360 nan 0.000 0.449 296 I N 1.173 121.840 120.570 0.162 0.000 2.226 296 I HA -0.227 3.942 4.170 -0.002 0.000 0.245 296 I C 2.621 178.814 176.117 0.126 0.000 1.100 296 I CA 0.669 62.042 61.300 0.123 0.000 1.374 296 I CB -1.239 36.806 38.000 0.074 0.000 1.057 296 I HN 0.120 nan 8.210 nan 0.000 0.413 297 L N 1.691 122.979 121.223 0.109 0.000 2.013 297 L HA -0.189 4.150 4.340 -0.002 0.000 0.212 297 L C 2.556 179.568 176.870 0.236 0.000 1.073 297 L CA 2.373 57.274 54.840 0.101 0.000 0.753 297 L CB -0.878 41.156 42.059 -0.042 0.000 0.890 297 L HN 0.206 nan 8.230 nan 0.000 0.432 298 A N -0.838 122.197 122.820 0.358 0.000 1.972 298 A HA -0.032 4.287 4.320 -0.002 0.000 0.219 298 A C 2.402 180.092 177.584 0.176 0.000 1.169 298 A CA 1.628 53.833 52.037 0.280 0.000 0.635 298 A CB -1.042 18.048 19.000 0.150 0.000 0.810 298 A HN 0.594 nan 8.150 nan 0.000 0.446 299 A N -0.651 122.277 122.820 0.180 0.000 1.968 299 A HA 0.101 4.420 4.320 -0.002 0.000 0.217 299 A C 2.106 179.799 177.584 0.182 0.000 1.169 299 A CA 1.456 53.598 52.037 0.176 0.000 0.638 299 A CB -0.646 18.460 19.000 0.177 0.000 0.812 299 A HN 0.350 nan 8.150 nan 0.000 0.446 300 V N -0.030 119.975 119.914 0.152 0.000 2.515 300 V HA -0.200 3.919 4.120 -0.002 0.000 0.250 300 V C 2.404 178.541 176.094 0.072 0.000 1.058 300 V CA 1.730 64.105 62.300 0.125 0.000 1.064 300 V CB -0.613 31.263 31.823 0.088 0.000 0.675 300 V HN 0.558 nan 8.190 nan 0.000 0.461 301 L N -0.488 120.786 121.223 0.084 0.000 2.162 301 L HA 0.070 4.409 4.340 -0.002 0.000 0.205 301 L C 1.730 178.605 176.870 0.009 0.000 1.086 301 L CA 1.568 56.440 54.840 0.054 0.000 0.778 301 L CB -0.020 42.107 42.059 0.114 0.000 0.928 301 L HN 0.382 nan 8.230 nan 0.000 0.446 302 D N -1.722 118.695 120.400 0.028 0.000 2.523 302 D HA 0.066 4.705 4.640 -0.002 0.000 0.269 302 D C 1.653 177.978 176.300 0.042 0.000 1.374 302 D CA 0.507 54.511 54.000 0.006 0.000 0.820 302 D CB 0.385 41.199 40.800 0.022 0.000 1.211 302 D HN 0.023 nan 8.370 nan 0.000 0.502 303 G N 0.094 108.960 108.800 0.110 0.000 2.442 303 G HA2 -0.016 3.943 3.960 -0.002 0.000 0.219 303 G HA3 -0.016 3.943 3.960 -0.002 0.000 0.219 303 G C 0.433 175.499 174.900 0.277 0.000 1.141 303 G CA 1.713 46.942 45.100 0.214 0.000 0.763 303 G HN 0.421 nan 8.290 nan 0.000 0.554 304 Y N -3.446 116.865 120.300 0.019 0.000 2.655 304 Y HA 0.608 5.157 4.550 -0.002 0.000 0.336 304 Y C 0.151 176.055 175.900 0.006 0.000 1.154 304 Y CA -1.889 56.214 58.100 0.005 0.000 1.055 304 Y CB 0.289 38.749 38.460 -0.001 0.000 1.295 304 Y HN -0.047 nan 8.280 nan 0.000 0.465 305 D N 0.702 121.114 120.400 0.021 0.000 2.309 305 D HA 0.043 4.682 4.640 -0.002 0.000 0.212 305 D C 1.761 177.948 176.300 -0.188 0.000 0.968 305 D CA 2.030 55.992 54.000 -0.064 0.000 0.882 305 D CB -0.025 40.784 40.800 0.014 0.000 0.918 305 D HN 0.899 nan 8.370 nan 0.000 0.503 306 G N -0.456 108.106 108.800 -0.396 0.000 3.088 306 G HA2 0.337 4.296 3.960 -0.002 0.000 0.217 306 G HA3 0.337 4.296 3.960 -0.002 0.000 0.217 306 G C 0.524 174.937 174.900 -0.812 0.000 1.159 306 G CA 0.113 44.951 45.100 -0.436 0.000 0.760 306 G HN 0.332 nan 8.290 nan 0.000 0.550 307 A N 0.494 122.672 122.820 -1.068 0.000 2.386 307 A HA 0.430 4.749 4.320 -0.002 0.000 0.246 307 A C 1.741 179.161 177.584 -0.272 0.000 1.089 307 A CA -0.374 51.280 52.037 -0.638 0.000 0.790 307 A CB 0.517 19.258 19.000 -0.432 0.000 1.042 307 A HN 0.252 nan 8.150 nan 0.000 0.497 308 R N 0.770 121.183 120.500 -0.146 0.000 2.096 308 R HA -0.215 4.124 4.340 -0.002 0.000 0.240 308 R C 2.001 178.260 176.300 -0.069 0.000 1.139 308 R CA 2.118 58.170 56.100 -0.079 0.000 0.952 308 R CB -0.740 29.538 30.300 -0.036 0.000 0.854 308 R HN 0.856 nan 8.270 nan 0.000 0.436 309 M N 0.205 119.770 119.600 -0.058 0.000 2.059 309 M HA -0.156 4.323 4.480 -0.002 0.000 0.259 309 M C 2.644 178.918 176.300 -0.045 0.000 1.072 309 M CA 2.338 57.616 55.300 -0.036 0.000 1.117 309 M CB -0.647 31.945 32.600 -0.013 0.000 1.320 309 M HN 0.258 nan 8.290 nan 0.000 0.408 310 T N -0.454 114.064 114.554 -0.061 0.000 2.915 310 T HA -0.152 4.197 4.350 -0.002 0.000 0.269 310 T C 1.815 176.482 174.700 -0.055 0.000 1.071 310 T CA 1.303 63.372 62.100 -0.052 0.000 1.132 310 T CB -0.163 68.672 68.868 -0.056 0.000 0.878 310 T HN 0.337 nan 8.240 nan 0.000 0.479 311 R N -0.275 120.181 120.500 -0.074 0.000 2.115 311 R HA 0.055 4.394 4.340 -0.002 0.000 0.226 311 R C 2.548 178.819 176.300 -0.049 0.000 1.100 311 R CA 1.452 57.514 56.100 -0.062 0.000 0.980 311 R CB 0.006 30.261 30.300 -0.076 0.000 0.875 311 R HN 0.531 nan 8.270 nan 0.000 0.445 312 Q N -0.954 118.815 119.800 -0.052 0.000 2.373 312 Q HA 0.112 4.451 4.340 -0.002 0.000 0.210 312 Q C 1.743 177.705 176.000 -0.064 0.000 0.913 312 Q CA 0.492 56.261 55.803 -0.055 0.000 0.911 312 Q CB 0.636 29.342 28.738 -0.054 0.000 1.040 312 Q HN 0.305 nan 8.270 nan 0.000 0.521 313 L N -1.131 120.064 121.223 -0.047 0.000 2.433 313 L HA 0.072 4.411 4.340 -0.002 0.000 0.200 313 L C 2.044 178.909 176.870 -0.008 0.000 1.059 313 L CA 0.201 55.020 54.840 -0.034 0.000 0.835 313 L CB -0.026 42.023 42.059 -0.016 0.000 1.076 313 L HN -0.021 nan 8.230 nan 0.000 0.481 314 V N 0.191 120.099 119.914 -0.010 0.000 2.283 314 V HA -0.112 4.007 4.120 -0.002 0.000 0.243 314 V C 1.740 177.834 176.094 -0.000 0.000 1.039 314 V CA 1.411 63.711 62.300 0.000 0.000 1.016 314 V CB -0.429 31.391 31.823 -0.005 0.000 0.650 314 V HN 0.304 nan 8.190 nan 0.000 0.449 315 R N -1.381 119.112 120.500 -0.012 0.000 2.523 315 R HA 0.538 4.877 4.340 -0.002 0.000 0.223 315 R C 1.372 177.659 176.300 -0.022 0.000 1.280 315 R CA 0.442 56.535 56.100 -0.012 0.000 1.047 315 R CB -0.347 29.944 30.300 -0.016 0.000 1.650 315 R HN 0.371 nan 8.270 nan 0.000 0.545 316 G N 0.987 109.772 108.800 -0.025 0.000 2.675 316 G HA2 -0.441 3.518 3.960 -0.002 0.000 0.312 316 G HA3 -0.441 3.518 3.960 -0.002 0.000 0.312 316 G C 0.570 175.444 174.900 -0.044 0.000 1.186 316 G CA 0.852 45.929 45.100 -0.039 0.000 0.965 316 G HN 0.738 nan 8.290 nan 0.000 0.548 317 N N 1.390 120.038 118.700 -0.087 0.000 2.463 317 N HA 0.136 4.875 4.740 -0.002 0.000 0.181 317 N C 1.055 176.583 175.510 0.030 0.000 1.078 317 N CA 1.388 54.367 53.050 -0.117 0.000 0.902 317 N CB -0.130 38.108 38.487 -0.415 0.000 0.970 317 N HN 0.896 nan 8.380 nan 0.000 0.451 318 K N -0.749 119.671 120.400 0.034 0.000 3.020 318 K HA -0.245 4.074 4.320 -0.002 0.000 0.266 318 K C 0.264 176.964 176.600 0.168 0.000 1.067 318 K CA 1.031 57.367 56.287 0.082 0.000 0.780 318 K CB -2.141 30.397 32.500 0.063 0.000 1.220 318 K HN 0.600 nan 8.250 nan 0.000 0.483 319 H N -1.614 117.450 119.070 -0.009 0.000 2.491 319 H HA 0.094 4.649 4.556 -0.002 0.000 0.290 319 H C 0.717 176.035 175.328 -0.016 0.000 1.050 319 H CA 0.571 56.612 56.048 -0.011 0.000 1.309 319 H CB 0.323 30.078 29.762 -0.011 0.000 1.392 319 H HN 0.354 nan 8.280 nan 0.000 0.554 320 A N 0.492 123.375 122.820 0.106 0.000 2.343 320 A HA 0.348 4.667 4.320 -0.002 0.000 0.316 320 A C 1.013 178.612 177.584 0.026 0.000 1.104 320 A CA -0.532 51.530 52.037 0.041 0.000 0.768 320 A CB 1.477 20.490 19.000 0.021 0.000 1.213 320 A HN 0.027 nan 8.150 nan 0.000 0.456 321 V N 1.716 121.639 119.914 0.015 0.000 2.295 321 V HA -0.059 4.060 4.120 -0.002 0.000 0.246 321 V C 1.297 177.401 176.094 0.017 0.000 1.049 321 V CA 2.359 64.670 62.300 0.018 0.000 1.024 321 V CB -0.587 31.250 31.823 0.023 0.000 0.648 321 V HN 1.086 nan 8.190 nan 0.000 0.447 322 S N -1.813 113.894 115.700 0.011 0.000 2.607 322 S HA 0.869 5.338 4.470 -0.002 0.000 0.273 322 S C -0.843 173.751 174.600 -0.010 0.000 1.148 322 S CA -0.129 58.078 58.200 0.012 0.000 0.833 322 S CB 2.545 65.767 63.200 0.036 0.000 1.130 322 S HN 0.909 nan 8.310 nan 0.000 0.470 323 A N -0.145 122.673 122.820 -0.003 0.000 2.589 323 A HA 0.979 5.298 4.320 -0.002 0.000 0.296 323 A C -0.211 177.379 177.584 0.011 0.000 1.062 323 A CA -0.313 51.717 52.037 -0.012 0.000 0.686 323 A CB 1.150 20.143 19.000 -0.012 0.000 1.282 323 A HN 1.980 nan 8.150 nan 0.000 0.404 324 G N -0.961 107.852 108.800 0.021 0.000 2.682 324 G HA2 0.899 4.858 3.960 -0.002 0.000 0.290 324 G HA3 0.899 4.858 3.960 -0.002 0.000 0.290 324 G C -0.994 173.928 174.900 0.036 0.000 1.425 324 G CA 0.116 45.239 45.100 0.037 0.000 0.807 324 G HN 2.068 nan 8.290 nan 0.000 0.482 325 A N -0.967 121.863 122.820 0.016 0.000 2.427 325 A HA 0.933 5.252 4.320 -0.002 0.000 0.298 325 A C -0.194 177.326 177.584 -0.105 0.000 1.036 325 A CA -0.015 51.989 52.037 -0.055 0.000 0.701 325 A CB 1.856 20.841 19.000 -0.025 0.000 1.250 325 A HN 1.991 nan 8.150 nan 0.000 0.412 326 G N -0.089 108.588 108.800 -0.205 0.000 2.638 326 G HA2 0.624 4.583 3.960 -0.002 0.000 0.302 326 G HA3 0.624 4.583 3.960 -0.002 0.000 0.302 326 G C -1.859 172.947 174.900 -0.157 0.000 1.365 326 G CA -0.501 44.534 45.100 -0.109 0.000 0.987 326 G HN 1.485 nan 8.290 nan 0.000 0.495 327 Y N 1.627 121.825 120.300 -0.171 0.000 2.299 327 Y HA 0.456 5.005 4.550 -0.002 0.000 0.318 327 Y C -2.024 173.898 175.900 0.036 0.000 1.205 327 Y CA -1.251 56.805 58.100 -0.073 0.000 1.106 327 Y CB 2.179 40.609 38.460 -0.051 0.000 1.246 327 Y HN 0.516 nan 8.280 nan 0.000 0.415 328 D N 3.202 123.326 120.400 -0.459 0.000 2.392 328 D HA 0.259 4.898 4.640 -0.002 0.000 0.228 328 D C 0.699 176.580 176.300 -0.698 0.000 1.074 328 D CA 0.288 54.034 54.000 -0.422 0.000 0.838 328 D CB 1.653 42.350 40.800 -0.171 0.000 1.067 328 D HN 0.576 nan 8.370 nan 0.000 0.511 329 S N 3.179 118.479 115.700 -0.667 0.000 2.428 329 S HA -0.022 4.446 4.470 -0.002 0.000 0.230 329 S C 0.818 175.326 174.600 -0.154 0.000 1.014 329 S CA 0.048 57.991 58.200 -0.427 0.000 0.957 329 S CB 0.206 63.349 63.200 -0.094 0.000 0.784 329 S HN 0.318 nan 8.310 nan 0.000 0.499 330 L N 3.174 124.316 121.223 -0.134 0.000 2.265 330 L HA 0.651 4.990 4.340 -0.002 0.000 0.289 330 L C -0.025 176.824 176.870 -0.034 0.000 1.033 330 L CA -0.123 54.665 54.840 -0.088 0.000 0.814 330 L CB 0.792 42.749 42.059 -0.170 0.000 1.203 330 L HN 0.493 nan 8.230 nan 0.000 0.423 331 S N 2.654 118.370 115.700 0.027 0.000 2.552 331 S HA 0.495 4.964 4.470 -0.002 0.000 0.272 331 S C 0.636 175.319 174.600 0.137 0.000 1.150 331 S CA -0.916 57.348 58.200 0.106 0.000 0.849 331 S CB 1.539 64.835 63.200 0.160 0.000 1.113 331 S HN 0.517 nan 8.310 nan 0.000 0.458 332 R N 0.855 121.468 120.500 0.188 0.000 2.096 332 R HA 0.009 4.348 4.340 -0.002 0.000 0.235 332 R C 2.087 178.454 176.300 0.111 0.000 1.127 332 R CA 1.829 58.015 56.100 0.143 0.000 0.968 332 R CB -0.882 29.512 30.300 0.157 0.000 0.861 332 R HN 0.880 nan 8.270 nan 0.000 0.440 333 G N -0.721 108.159 108.800 0.134 0.000 2.744 333 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.211 333 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.211 333 G C 0.140 175.034 174.900 -0.011 0.000 1.143 333 G CA 0.023 45.095 45.100 -0.047 0.000 0.788 333 G HN 0.419 nan 8.290 nan 0.000 0.534 334 Q N -0.757 119.079 119.800 0.059 0.000 2.453 334 Q HA -0.154 4.185 4.340 -0.002 0.000 0.294 334 Q C -0.472 175.565 176.000 0.061 0.000 1.295 334 Q CA 0.553 56.392 55.803 0.060 0.000 0.853 334 Q CB -0.814 27.953 28.738 0.047 0.000 1.193 334 Q HN 0.439 nan 8.270 nan 0.000 0.461 335 Q N -0.415 119.429 119.800 0.074 0.000 2.293 335 Q HA 0.611 4.950 4.340 -0.002 0.000 0.261 335 Q C 0.265 176.420 176.000 0.259 0.000 0.960 335 Q CA 0.047 55.927 55.803 0.127 0.000 0.882 335 Q CB 2.014 30.726 28.738 -0.042 0.000 1.275 335 Q HN 0.318 nan 8.270 nan 0.000 0.445 336 G N 2.015 111.007 108.800 0.321 0.000 2.372 336 G HA2 0.623 4.582 3.960 -0.002 0.000 0.323 336 G HA3 0.623 4.582 3.960 -0.002 0.000 0.323 336 G C -0.895 174.266 174.900 0.435 0.000 1.152 336 G CA -0.392 44.956 45.100 0.414 0.000 0.906 336 G HN 0.450 nan 8.290 nan 0.000 0.460 337 L N 2.857 124.338 121.223 0.430 0.000 2.415 337 L HA 0.366 4.705 4.340 -0.002 0.000 0.268 337 L C -1.192 175.927 176.870 0.416 0.000 0.984 337 L CA -0.776 54.255 54.840 0.319 0.000 0.853 337 L CB 1.707 43.885 42.059 0.198 0.000 1.215 337 L HN 0.540 nan 8.230 nan 0.000 0.419 338 F N 5.424 125.545 119.950 0.286 0.000 2.424 338 F HA 0.496 5.022 4.527 -0.002 0.000 0.356 338 F C -0.146 175.822 175.800 0.280 0.000 1.110 338 F CA -0.152 58.005 58.000 0.261 0.000 1.161 338 F CB 0.660 39.705 39.000 0.076 0.000 1.115 338 F HN 0.214 nan 8.300 nan 0.000 0.507 339 I N 7.069 127.593 120.570 -0.076 0.000 2.436 339 I HA 0.268 4.437 4.170 -0.002 0.000 0.289 339 I C -1.321 174.811 176.117 0.025 0.000 1.010 339 I CA -1.033 60.293 61.300 0.043 0.000 1.098 339 I CB 1.703 39.713 38.000 0.016 0.000 1.266 339 I HN 0.302 nan 8.210 nan 0.000 0.434 340 L N 6.774 128.100 121.223 0.171 0.000 2.322 340 L HA 0.537 4.876 4.340 -0.002 0.000 0.281 340 L C -0.136 176.765 176.870 0.052 0.000 1.014 340 L CA -0.307 54.623 54.840 0.149 0.000 0.815 340 L CB 1.457 43.683 42.059 0.279 0.000 1.247 340 L HN 0.690 nan 8.230 nan 0.000 0.421 341 E N 1.833 122.044 120.200 0.019 0.000 2.446 341 E HA 0.928 5.277 4.350 -0.002 0.000 0.276 341 E C -0.796 175.707 176.600 -0.163 0.000 0.969 341 E CA -1.272 55.083 56.400 -0.074 0.000 0.800 341 E CB 2.499 32.240 29.700 0.068 0.000 1.341 341 E HN 0.618 nan 8.360 nan 0.000 0.460 342 G N -0.248 108.300 108.800 -0.420 0.000 2.361 342 G HA2 0.349 4.308 3.960 -0.002 0.000 0.299 342 G HA3 0.349 4.308 3.960 -0.002 0.000 0.299 342 G C -1.769 172.847 174.900 -0.473 0.000 1.544 342 G CA -0.312 44.581 45.100 -0.345 0.000 0.860 342 G HN 0.754 nan 8.290 nan 0.000 0.610 343 V N 2.105 121.869 119.914 -0.249 0.000 2.370 343 V HA 0.805 4.924 4.120 -0.002 0.000 0.279 343 V C -2.071 173.987 176.094 -0.059 0.000 1.029 343 V CA -2.139 60.088 62.300 -0.121 0.000 0.870 343 V CB 1.605 33.445 31.823 0.028 0.000 0.984 343 V HN 0.639 nan 8.190 nan 0.000 0.451 344 P HA 0.251 nan 4.420 nan 0.000 0.278 344 P C -0.188 177.102 177.300 -0.015 0.000 1.238 344 P CA -0.015 63.067 63.100 -0.029 0.000 0.794 344 P CB 1.022 32.700 31.700 -0.037 0.000 0.955 345 S N 1.473 117.165 115.700 -0.013 0.000 2.579 345 S HA 0.062 4.531 4.470 -0.002 0.000 0.275 345 S C 0.469 175.054 174.600 -0.025 0.000 1.345 345 S CA -0.207 57.986 58.200 -0.011 0.000 1.031 345 S CB -0.050 63.148 63.200 -0.004 0.000 0.892 345 S HN 0.348 nan 8.310 nan 0.000 0.529 346 K N 1.151 121.542 120.400 -0.015 0.000 2.491 346 K HA 0.281 4.600 4.320 -0.002 0.000 0.279 346 K C 1.205 177.785 176.600 -0.033 0.000 1.026 346 K CA 1.248 57.524 56.287 -0.017 0.000 1.070 346 K CB -0.591 31.905 32.500 -0.008 0.000 0.887 346 K HN 0.783 nan 8.250 nan 0.000 0.481 347 G N 2.014 110.791 108.800 -0.038 0.000 2.254 347 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.225 347 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.225 347 G C -0.307 174.543 174.900 -0.082 0.000 1.003 347 G CA -0.056 45.012 45.100 -0.052 0.000 0.622 347 G HN 0.566 nan 8.290 nan 0.000 0.507 348 V N 3.537 123.390 119.914 -0.101 0.000 2.432 348 V HA 0.523 4.642 4.120 -0.002 0.000 0.271 348 V C 1.285 177.328 176.094 -0.085 0.000 1.046 348 V CA 0.275 62.489 62.300 -0.143 0.000 0.945 348 V CB 0.959 32.669 31.823 -0.188 0.000 0.992 348 V HN 0.766 nan 8.190 nan 0.000 0.471 349 T N 2.555 117.063 114.554 -0.076 0.000 2.898 349 T HA 0.290 4.639 4.350 -0.002 0.000 0.301 349 T C 1.130 175.808 174.700 -0.037 0.000 1.049 349 T CA -0.422 61.651 62.100 -0.045 0.000 1.095 349 T CB 0.729 69.575 68.868 -0.036 0.000 0.976 349 T HN 0.280 nan 8.240 nan 0.000 0.539 350 I N 1.982 122.536 120.570 -0.027 0.000 2.361 350 I HA -0.053 4.116 4.170 -0.002 0.000 0.251 350 I C 2.808 178.913 176.117 -0.021 0.000 1.133 350 I CA 1.709 62.994 61.300 -0.025 0.000 1.413 350 I CB -0.966 37.022 38.000 -0.022 0.000 1.073 350 I HN 0.910 nan 8.210 nan 0.000 0.424 351 A N -0.217 122.593 122.820 -0.017 0.000 1.933 351 A HA -0.271 4.048 4.320 -0.002 0.000 0.218 351 A C 2.288 179.873 177.584 0.002 0.000 1.175 351 A CA 1.915 53.946 52.037 -0.009 0.000 0.628 351 A CB -0.591 18.404 19.000 -0.008 0.000 0.814 351 A HN 0.431 nan 8.150 nan 0.000 0.444 352 Q N -0.164 119.637 119.800 0.000 0.000 2.046 352 Q HA -0.030 4.309 4.340 -0.002 0.000 0.200 352 Q C 1.923 177.955 176.000 0.053 0.000 0.975 352 Q CA 1.535 57.352 55.803 0.024 0.000 0.836 352 Q CB -0.498 28.235 28.738 -0.007 0.000 0.896 352 Q HN 0.574 nan 8.270 nan 0.000 0.428 353 L N 0.466 121.707 121.223 0.030 0.000 2.042 353 L HA -0.211 4.128 4.340 -0.002 0.000 0.210 353 L C 2.390 179.277 176.870 0.028 0.000 1.076 353 L CA 2.101 56.963 54.840 0.037 0.000 0.749 353 L CB -0.461 41.596 42.059 -0.004 0.000 0.893 353 L HN 0.525 nan 8.230 nan 0.000 0.432 354 E N -0.870 119.336 120.200 0.011 0.000 2.085 354 E HA -0.232 4.117 4.350 -0.002 0.000 0.194 354 E C 1.819 178.444 176.600 0.041 0.000 0.994 354 E CA 1.903 58.310 56.400 0.012 0.000 0.801 354 E CB 0.108 29.802 29.700 -0.010 0.000 0.743 354 E HN 0.444 nan 8.360 nan 0.000 0.453 355 T N 1.046 115.625 114.554 0.042 0.000 2.777 355 T HA -0.123 4.226 4.350 -0.002 0.000 0.266 355 T C 1.182 175.914 174.700 0.054 0.000 1.040 355 T CA 1.287 63.416 62.100 0.049 0.000 1.141 355 T CB -0.276 68.618 68.868 0.044 0.000 0.868 355 T HN 0.198 nan 8.240 nan 0.000 0.444 356 D N 1.255 121.690 120.400 0.059 0.000 2.084 356 D HA -0.020 4.619 4.640 -0.002 0.000 0.194 356 D C 2.171 178.497 176.300 0.044 0.000 0.990 356 D CA 0.829 54.857 54.000 0.046 0.000 0.826 356 D CB -0.478 40.360 40.800 0.064 0.000 0.971 356 D HN 0.289 nan 8.370 nan 0.000 0.453 357 L N 0.223 121.482 121.223 0.060 0.000 2.042 357 L HA -0.128 4.211 4.340 -0.002 0.000 0.210 357 L C 2.400 179.342 176.870 0.119 0.000 1.076 357 L CA 1.182 56.074 54.840 0.086 0.000 0.749 357 L CB -0.255 41.861 42.059 0.096 0.000 0.893 357 L HN -0.045 nan 8.230 nan 0.000 0.432 358 R N -0.414 120.165 120.500 0.132 0.000 2.307 358 R HA 0.011 4.349 4.340 -0.002 0.000 0.199 358 R C 2.223 178.564 176.300 0.067 0.000 1.000 358 R CA 0.655 56.845 56.100 0.150 0.000 1.023 358 R CB -0.173 30.237 30.300 0.183 0.000 0.908 358 R HN 0.327 nan 8.270 nan 0.000 0.473 359 A N 0.880 123.726 122.820 0.045 0.000 1.898 359 A HA -0.123 4.196 4.320 -0.002 0.000 0.214 359 A C 1.903 179.486 177.584 -0.001 0.000 1.183 359 A CA 0.702 52.748 52.037 0.015 0.000 0.622 359 A CB -0.064 18.941 19.000 0.007 0.000 0.824 359 A HN 0.116 nan 8.150 nan 0.000 0.444 360 Q N -0.018 119.786 119.800 0.007 0.000 2.112 360 Q HA -0.156 4.183 4.340 -0.002 0.000 0.206 360 Q C 2.280 178.264 176.000 -0.027 0.000 0.987 360 Q CA 1.807 57.609 55.803 -0.002 0.000 0.858 360 Q CB -0.879 27.872 28.738 0.022 0.000 0.905 360 Q HN 0.481 nan 8.270 nan 0.000 0.420 361 V N 0.646 120.534 119.914 -0.043 0.000 2.379 361 V HA -0.191 3.928 4.120 -0.002 0.000 0.245 361 V C 2.488 178.512 176.094 -0.117 0.000 1.044 361 V CA 1.727 63.952 62.300 -0.126 0.000 1.036 361 V CB -0.507 31.181 31.823 -0.225 0.000 0.664 361 V HN 0.289 nan 8.190 nan 0.000 0.453 362 R N 0.022 120.478 120.500 -0.072 0.000 2.092 362 R HA -0.179 4.160 4.340 -0.002 0.000 0.231 362 R C 2.228 178.497 176.300 -0.052 0.000 1.119 362 R CA 1.669 57.733 56.100 -0.060 0.000 0.970 362 R CB -0.421 29.861 30.300 -0.030 0.000 0.864 362 R HN 0.619 nan 8.270 nan 0.000 0.440 363 D N 0.747 121.122 120.400 -0.042 0.000 2.092 363 D HA -0.193 4.446 4.640 -0.002 0.000 0.193 363 D C 1.857 178.131 176.300 -0.044 0.000 0.994 363 D CA 1.539 55.518 54.000 -0.036 0.000 0.828 363 D CB -0.087 40.695 40.800 -0.029 0.000 0.963 363 D HN 0.323 nan 8.370 nan 0.000 0.450 364 I N 1.009 121.546 120.570 -0.055 0.000 2.286 364 I HA -0.225 3.944 4.170 -0.002 0.000 0.248 364 I C 2.678 178.751 176.117 -0.075 0.000 1.115 364 I CA 0.976 62.239 61.300 -0.061 0.000 1.392 364 I CB -0.286 37.672 38.000 -0.071 0.000 1.065 364 I HN 0.011 nan 8.210 nan 0.000 0.418 365 A N 0.527 123.292 122.820 -0.091 0.000 1.969 365 A HA -0.059 4.260 4.320 -0.002 0.000 0.218 365 A C 2.430 179.974 177.584 -0.066 0.000 1.169 365 A CA 1.846 53.827 52.037 -0.094 0.000 0.635 365 A CB -0.484 18.449 19.000 -0.111 0.000 0.810 365 A HN 0.443 nan 8.150 nan 0.000 0.445 366 A N -1.031 121.757 122.820 -0.053 0.000 1.973 366 A HA 0.171 4.490 4.320 -0.002 0.000 0.210 366 A C 2.005 179.569 177.584 -0.034 0.000 1.200 366 A CA 1.160 53.173 52.037 -0.040 0.000 0.707 366 A CB 0.004 18.984 19.000 -0.033 0.000 0.862 366 A HN 0.411 nan 8.150 nan 0.000 0.461 367 K N -1.400 118.980 120.400 -0.033 0.000 2.348 367 K HA 0.360 4.679 4.320 -0.002 0.000 0.194 367 K C 1.018 177.601 176.600 -0.027 0.000 1.052 367 K CA 0.461 56.732 56.287 -0.027 0.000 1.004 367 K CB 0.411 32.898 32.500 -0.023 0.000 0.873 367 K HN 0.592 nan 8.250 nan 0.000 0.523 368 G N 1.326 110.106 108.800 -0.034 0.000 2.642 368 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.231 368 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.231 368 G C -0.465 174.421 174.900 -0.023 0.000 1.338 368 G CA -0.331 44.750 45.100 -0.032 0.000 0.883 368 G HN 0.296 nan 8.290 nan 0.000 0.570 369 V N -2.810 117.094 119.914 -0.016 0.000 2.914 369 V HA 0.924 5.043 4.120 -0.002 0.000 0.314 369 V C 0.703 176.796 176.094 -0.002 0.000 1.084 369 V CA 0.319 62.616 62.300 -0.005 0.000 0.963 369 V CB 1.409 33.234 31.823 0.003 0.000 1.025 369 V HN 2.231 nan 8.190 nan 0.000 0.432 370 T N -0.338 114.218 114.554 0.004 0.000 2.899 370 T HA 0.310 4.659 4.350 -0.002 0.000 0.295 370 T C 0.831 175.535 174.700 0.005 0.000 1.033 370 T CA -0.119 61.983 62.100 0.003 0.000 1.084 370 T CB 1.091 69.962 68.868 0.006 0.000 0.979 370 T HN 0.787 nan 8.240 nan 0.000 0.532 371 E N 1.466 121.666 120.200 0.001 0.000 2.118 371 E HA -0.155 4.194 4.350 -0.002 0.000 0.195 371 E C 2.418 179.020 176.600 0.004 0.000 0.992 371 E CA 1.539 57.939 56.400 0.000 0.000 0.804 371 E CB -0.901 28.797 29.700 -0.004 0.000 0.741 371 E HN 0.868 nan 8.360 nan 0.000 0.458 372 A N 1.420 124.243 122.820 0.006 0.000 1.877 372 A HA -0.246 4.073 4.320 -0.002 0.000 0.216 372 A C 2.177 179.771 177.584 0.018 0.000 1.186 372 A CA 1.808 53.850 52.037 0.008 0.000 0.620 372 A CB -0.550 18.456 19.000 0.010 0.000 0.822 372 A HN 0.313 nan 8.150 nan 0.000 0.443 373 E N -0.667 119.550 120.200 0.028 0.000 2.038 373 E HA -0.231 4.118 4.350 -0.002 0.000 0.195 373 E C 1.924 178.553 176.600 0.049 0.000 1.000 373 E CA 1.481 57.912 56.400 0.052 0.000 0.803 373 E CB -0.238 29.492 29.700 0.051 0.000 0.750 373 E HN 0.420 nan 8.360 nan 0.000 0.448 374 L N 0.666 121.908 121.223 0.031 0.000 2.042 374 L HA -0.188 4.151 4.340 -0.002 0.000 0.210 374 L C 2.452 179.331 176.870 0.014 0.000 1.076 374 L CA 2.317 57.173 54.840 0.026 0.000 0.749 374 L CB -0.900 41.167 42.059 0.013 0.000 0.893 374 L HN 0.102 nan 8.230 nan 0.000 0.432 375 S N -1.049 114.652 115.700 0.003 0.000 2.383 375 S HA -0.205 4.264 4.470 -0.002 0.000 0.227 375 S C 2.264 176.847 174.600 -0.029 0.000 1.026 375 S CA 1.164 59.358 58.200 -0.011 0.000 0.981 375 S CB -0.307 62.886 63.200 -0.012 0.000 0.818 375 S HN 0.501 nan 8.310 nan 0.000 0.472 376 R N 0.116 120.598 120.500 -0.029 0.000 2.094 376 R HA -0.084 4.255 4.340 -0.002 0.000 0.239 376 R C 2.200 178.410 176.300 -0.150 0.000 1.137 376 R CA 1.952 58.002 56.100 -0.083 0.000 0.943 376 R CB -0.661 29.617 30.300 -0.036 0.000 0.850 376 R HN 0.365 nan 8.270 nan 0.000 0.433 377 V N 1.193 121.075 119.914 -0.054 0.000 2.343 377 V HA -0.262 3.857 4.120 -0.002 0.000 0.247 377 V C 2.180 178.263 176.094 -0.020 0.000 1.051 377 V CA 1.817 64.108 62.300 -0.015 0.000 1.036 377 V CB -0.363 31.533 31.823 0.121 0.000 0.654 377 V HN 0.374 nan 8.190 nan 0.000 0.451 378 K N -0.039 120.357 120.400 -0.005 0.000 2.032 378 K HA -0.195 4.124 4.320 -0.002 0.000 0.209 378 K C 2.476 179.066 176.600 -0.017 0.000 1.048 378 K CA 1.741 58.033 56.287 0.008 0.000 0.927 378 K CB -0.489 32.015 32.500 0.006 0.000 0.712 378 K HN 0.417 nan 8.250 nan 0.000 0.441 379 S N 0.719 116.387 115.700 -0.054 0.000 2.402 379 S HA -0.197 4.271 4.470 -0.002 0.000 0.233 379 S C 1.986 176.528 174.600 -0.098 0.000 1.030 379 S CA 1.283 59.440 58.200 -0.071 0.000 1.003 379 S CB -0.081 63.068 63.200 -0.085 0.000 0.813 379 S HN 0.224 nan 8.310 nan 0.000 0.477 380 Q N 0.352 120.059 119.800 -0.155 0.000 2.083 380 Q HA 0.052 4.391 4.340 -0.002 0.000 0.198 380 Q C 2.334 178.299 176.000 -0.058 0.000 0.969 380 Q CA 1.218 56.920 55.803 -0.169 0.000 0.838 380 Q CB -0.453 28.082 28.738 -0.338 0.000 0.900 380 Q HN 0.638 nan 8.270 nan 0.000 0.436 381 M N -0.121 119.479 119.600 0.000 0.000 2.149 381 M HA -0.159 4.320 4.480 -0.002 0.000 0.261 381 M C 2.255 178.598 176.300 0.071 0.000 1.064 381 M CA 1.155 56.504 55.300 0.082 0.000 1.102 381 M CB -0.372 32.313 32.600 0.140 0.000 1.369 381 M HN -0.015 nan 8.290 nan 0.000 0.408 382 V N 0.249 120.177 119.914 0.023 0.000 2.379 382 V HA -0.193 3.926 4.120 -0.002 0.000 0.245 382 V C 2.634 178.702 176.094 -0.043 0.000 1.044 382 V CA 1.885 64.168 62.300 -0.028 0.000 1.036 382 V CB -0.983 30.823 31.823 -0.028 0.000 0.664 382 V HN 0.496 nan 8.190 nan 0.000 0.453 383 A N 0.509 123.306 122.820 -0.039 0.000 1.898 383 A HA -0.076 4.243 4.320 -0.002 0.000 0.216 383 A C 2.366 179.929 177.584 -0.036 0.000 1.181 383 A CA 1.805 53.820 52.037 -0.037 0.000 0.620 383 A CB -1.176 17.789 19.000 -0.058 0.000 0.819 383 A HN 0.533 nan 8.150 nan 0.000 0.442 384 G N -0.411 108.358 108.800 -0.052 0.000 2.509 384 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.218 384 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.218 384 G C 1.505 176.419 174.900 0.022 0.000 1.124 384 G CA 1.350 46.413 45.100 -0.062 0.000 0.776 384 G HN 0.600 nan 8.290 nan 0.000 0.547 385 K N 0.361 120.769 120.400 0.013 0.000 2.167 385 K HA 0.112 4.431 4.320 -0.002 0.000 0.203 385 K C 2.233 178.837 176.600 0.005 0.000 1.052 385 K CA 0.749 57.027 56.287 -0.016 0.000 0.956 385 K CB -0.293 32.089 32.500 -0.197 0.000 0.735 385 K HN 0.089 nan 8.250 nan 0.000 0.451 386 V N 0.842 120.774 119.914 0.031 0.000 2.490 386 V HA -0.229 3.890 4.120 -0.002 0.000 0.250 386 V C 1.827 178.007 176.094 0.143 0.000 1.061 386 V CA 1.643 63.980 62.300 0.061 0.000 1.064 386 V CB -0.723 31.137 31.823 0.062 0.000 0.670 386 V HN 0.318 nan 8.190 nan 0.000 0.461 387 Y N 0.660 120.949 120.300 -0.017 0.000 2.097 387 Y HA -0.294 4.255 4.550 -0.002 0.000 0.282 387 Y C 2.778 178.673 175.900 -0.008 0.000 1.152 387 Y CA 2.022 60.118 58.100 -0.007 0.000 1.136 387 Y CB 0.016 38.478 38.460 0.003 0.000 0.975 387 Y HN 0.271 nan 8.280 nan 0.000 0.498 388 E N -0.131 120.155 120.200 0.143 0.000 2.058 388 E HA -0.293 4.056 4.350 -0.002 0.000 0.194 388 E C 2.040 178.650 176.600 0.016 0.000 0.997 388 E CA 1.490 57.928 56.400 0.065 0.000 0.801 388 E CB -0.220 29.521 29.700 0.070 0.000 0.746 388 E HN 0.608 nan 8.360 nan 0.000 0.450 389 Q N 0.314 120.120 119.800 0.010 0.000 2.368 389 Q HA -0.201 4.138 4.340 -0.002 0.000 0.210 389 Q C 1.662 177.644 176.000 -0.029 0.000 0.982 389 Q CA 1.323 57.118 55.803 -0.014 0.000 0.884 389 Q CB -0.055 28.672 28.738 -0.019 0.000 0.933 389 Q HN 0.264 nan 8.270 nan 0.000 0.460 390 D N 0.231 120.607 120.400 -0.041 0.000 2.110 390 D HA -0.064 4.575 4.640 -0.002 0.000 0.202 390 D C 0.707 176.961 176.300 -0.075 0.000 0.975 390 D CA 0.646 54.602 54.000 -0.074 0.000 0.839 390 D CB 0.025 40.741 40.800 -0.140 0.000 0.996 390 D HN -0.049 nan 8.370 nan 0.000 0.464 391 S N -1.097 114.555 115.700 -0.079 0.000 2.603 391 S HA 0.203 4.672 4.470 -0.002 0.000 0.268 391 S C 1.488 176.064 174.600 -0.040 0.000 1.317 391 S CA -0.641 57.521 58.200 -0.063 0.000 1.012 391 S CB 0.428 63.589 63.200 -0.064 0.000 0.926 391 S HN 0.267 nan 8.310 nan 0.000 0.539 392 L N 2.486 123.692 121.223 -0.028 0.000 2.044 392 L HA -0.070 4.269 4.340 -0.002 0.000 0.205 392 L C 2.524 179.389 176.870 -0.007 0.000 1.075 392 L CA 1.034 55.864 54.840 -0.016 0.000 0.747 392 L CB -0.454 41.606 42.059 0.000 0.000 0.903 392 L HN 0.680 nan 8.230 nan 0.000 0.435 393 M N 0.547 120.142 119.600 -0.009 0.000 2.108 393 M HA -0.107 4.372 4.480 -0.002 0.000 0.261 393 M C 2.038 178.326 176.300 -0.020 0.000 1.066 393 M CA 2.063 57.349 55.300 -0.023 0.000 1.107 393 M CB -0.982 31.590 32.600 -0.045 0.000 1.356 393 M HN 0.148 nan 8.290 nan 0.000 0.406 394 G N -1.001 107.789 108.800 -0.016 0.000 2.418 394 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.217 394 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.217 394 G C 1.463 176.365 174.900 0.003 0.000 1.158 394 G CA 0.822 45.922 45.100 0.001 0.000 0.771 394 G HN 0.594 nan 8.290 nan 0.000 0.545 395 Q N 0.085 119.877 119.800 -0.014 0.000 2.084 395 Q HA -0.003 4.336 4.340 -0.002 0.000 0.202 395 Q C 3.017 178.997 176.000 -0.034 0.000 0.978 395 Q CA 1.306 57.092 55.803 -0.028 0.000 0.844 395 Q CB -0.253 28.456 28.738 -0.048 0.000 0.898 395 Q HN 0.481 nan 8.270 nan 0.000 0.426 396 A N 0.196 123.009 122.820 -0.012 0.000 1.898 396 A HA -0.164 4.155 4.320 -0.002 0.000 0.216 396 A C 2.216 179.827 177.584 0.046 0.000 1.181 396 A CA 1.797 53.843 52.037 0.015 0.000 0.620 396 A CB -0.784 18.254 19.000 0.063 0.000 0.819 396 A HN 0.302 nan 8.150 nan 0.000 0.442 397 T N -0.481 114.122 114.554 0.083 0.000 2.777 397 T HA -0.167 4.182 4.350 -0.002 0.000 0.266 397 T C 2.085 176.777 174.700 -0.013 0.000 1.040 397 T CA 1.429 63.629 62.100 0.167 0.000 1.141 397 T CB -0.242 68.718 68.868 0.153 0.000 0.868 397 T HN 0.598 nan 8.240 nan 0.000 0.444 398 Q N 0.403 120.187 119.800 -0.027 0.000 2.061 398 Q HA -0.133 4.206 4.340 -0.002 0.000 0.204 398 Q C 2.308 178.229 176.000 -0.133 0.000 0.984 398 Q CA 1.551 57.324 55.803 -0.050 0.000 0.846 398 Q CB -0.305 28.437 28.738 0.006 0.000 0.902 398 Q HN 0.529 nan 8.270 nan 0.000 0.421 399 I N 0.029 120.511 120.570 -0.148 0.000 2.163 399 I HA -0.188 3.981 4.170 -0.002 0.000 0.240 399 I C 2.448 178.318 176.117 -0.413 0.000 1.081 399 I CA 1.252 62.450 61.300 -0.170 0.000 1.353 399 I CB -0.648 37.251 38.000 -0.169 0.000 1.054 399 I HN 0.313 nan 8.210 nan 0.000 0.407 400 G N 0.302 108.652 108.800 -0.750 0.000 2.421 400 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.216 400 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.216 400 G C 1.778 175.582 174.900 -1.826 0.000 1.171 400 G CA 0.791 44.855 45.100 -1.727 0.000 0.775 400 G HN 0.501 nan 8.290 nan 0.000 0.543 401 G N 0.860 108.810 108.800 -1.416 0.000 2.503 401 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.221 401 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.221 401 G C 1.789 176.429 174.900 -0.435 0.000 1.131 401 G CA 0.992 45.651 45.100 -0.735 0.000 0.756 401 G HN 0.441 nan 8.290 nan 0.000 0.572 402 L N -0.366 120.637 121.223 -0.367 0.000 2.095 402 L HA 0.068 4.407 4.340 -0.002 0.000 0.204 402 L C 2.895 179.638 176.870 -0.212 0.000 1.080 402 L CA 0.711 55.414 54.840 -0.228 0.000 0.759 402 L CB -0.321 41.649 42.059 -0.149 0.000 0.914 402 L HN 0.089 nan 8.230 nan 0.000 0.439 403 E N -0.143 119.897 120.200 -0.268 0.000 2.150 403 E HA -0.181 4.168 4.350 -0.002 0.000 0.193 403 E C 2.159 178.653 176.600 -0.176 0.000 0.985 403 E CA 1.013 57.295 56.400 -0.196 0.000 0.814 403 E CB -0.221 29.356 29.700 -0.205 0.000 0.752 403 E HN 0.234 nan 8.360 nan 0.000 0.466 404 V N 0.825 120.592 119.914 -0.245 0.000 3.217 404 V HA -0.120 3.999 4.120 -0.002 0.000 0.264 404 V C 1.617 177.705 176.094 -0.010 0.000 1.135 404 V CA 0.605 62.849 62.300 -0.093 0.000 1.142 404 V CB -0.116 31.691 31.823 -0.026 0.000 0.754 404 V HN 0.097 nan 8.190 nan 0.000 0.484 405 L N 0.673 121.870 121.223 -0.044 0.000 2.558 405 L HA 0.411 4.750 4.340 -0.002 0.000 0.225 405 L C 1.912 178.777 176.870 -0.008 0.000 1.128 405 L CA 1.347 56.187 54.840 -0.000 0.000 0.868 405 L CB -0.476 41.572 42.059 -0.019 0.000 1.006 405 L HN 0.469 nan 8.230 nan 0.000 0.454 406 G N -1.491 107.292 108.800 -0.028 0.000 2.176 406 G HA2 -0.220 3.738 3.960 -0.002 0.000 0.232 406 G HA3 -0.220 3.738 3.960 -0.002 0.000 0.232 406 G C 0.484 175.360 174.900 -0.040 0.000 0.986 406 G CA 0.271 45.356 45.100 -0.024 0.000 0.643 406 G HN 0.260 nan 8.290 nan 0.000 0.522 407 L N 0.266 121.455 121.223 -0.057 0.000 2.569 407 L HA 0.777 5.115 4.340 -0.002 0.000 0.247 407 L C 0.951 177.768 176.870 -0.088 0.000 1.135 407 L CA -0.316 54.482 54.840 -0.070 0.000 0.812 407 L CB 1.344 43.358 42.059 -0.075 0.000 1.431 407 L HN 0.218 nan 8.230 nan 0.000 0.499 408 S N -0.704 114.924 115.700 -0.119 0.000 2.537 408 S HA 0.212 4.681 4.470 -0.002 0.000 0.301 408 S C 0.795 175.282 174.600 -0.188 0.000 1.092 408 S CA -0.898 57.198 58.200 -0.174 0.000 1.048 408 S CB 0.999 64.028 63.200 -0.286 0.000 1.053 408 S HN 0.704 nan 8.310 nan 0.000 0.501 409 W N 4.847 126.086 121.300 -0.101 0.000 2.331 409 W HA -0.186 4.473 4.660 -0.002 0.000 0.291 409 W C 1.037 177.522 176.519 -0.056 0.000 1.214 409 W CA 0.954 58.240 57.345 -0.098 0.000 1.228 409 W CB -0.873 28.524 29.460 -0.104 0.000 1.135 409 W HN 0.731 nan 8.180 nan 0.000 0.537 410 R N 0.808 120.690 120.500 -1.031 0.000 2.241 410 R HA -0.113 4.226 4.340 -0.002 0.000 0.224 410 R C 1.485 177.596 176.300 -0.314 0.000 1.101 410 R CA 1.520 57.097 56.100 -0.871 0.000 0.995 410 R CB -0.414 29.276 30.300 -1.017 0.000 0.870 410 R HN 0.094 nan 8.270 nan 0.000 0.463 411 D N 0.555 120.828 120.400 -0.210 0.000 2.312 411 D HA -0.114 4.525 4.640 -0.002 0.000 0.211 411 D C 1.130 177.460 176.300 0.049 0.000 0.964 411 D CA 0.926 54.884 54.000 -0.069 0.000 0.877 411 D CB -0.141 40.619 40.800 -0.065 0.000 0.924 411 D HN 0.115 nan 8.370 nan 0.000 0.515 412 D N 0.680 121.123 120.400 0.071 0.000 2.149 412 D HA -0.141 4.498 4.640 -0.002 0.000 0.198 412 D C 1.349 177.877 176.300 0.380 0.000 0.990 412 D CA 0.949 55.084 54.000 0.225 0.000 0.839 412 D CB 0.137 41.088 40.800 0.251 0.000 0.948 412 D HN 0.034 nan 8.370 nan 0.000 0.460 413 D N -0.538 119.992 120.400 0.216 0.000 2.097 413 D HA -0.061 4.578 4.640 -0.002 0.000 0.197 413 D C 2.227 178.621 176.300 0.158 0.000 0.984 413 D CA 0.709 54.820 54.000 0.185 0.000 0.826 413 D CB -0.134 40.711 40.800 0.074 0.000 0.973 413 D HN 0.184 nan 8.370 nan 0.000 0.460 414 R N -0.290 120.271 120.500 0.101 0.000 2.083 414 R HA -0.132 4.207 4.340 -0.002 0.000 0.237 414 R C 2.287 178.635 176.300 0.080 0.000 1.137 414 R CA 0.978 57.115 56.100 0.063 0.000 0.951 414 R CB -0.583 29.747 30.300 0.050 0.000 0.851 414 R HN 0.183 nan 8.270 nan 0.000 0.434 415 F N 0.417 120.372 119.950 0.010 0.000 2.069 415 F HA -0.269 4.257 4.527 -0.002 0.000 0.298 415 F C 1.736 177.460 175.800 -0.127 0.000 1.113 415 F CA 1.547 59.541 58.000 -0.010 0.000 1.214 415 F CB -0.314 38.645 39.000 -0.069 0.000 0.978 415 F HN -0.051 nan 8.300 nan 0.000 0.474 416 Y N -0.242 120.149 120.300 0.152 0.000 2.352 416 Y HA -0.168 4.381 4.550 -0.002 0.000 0.292 416 Y C 2.495 178.335 175.900 -0.100 0.000 1.136 416 Y CA 1.394 59.504 58.100 0.018 0.000 1.227 416 Y CB -0.734 37.798 38.460 0.121 0.000 0.991 416 Y HN 0.179 nan 8.280 nan 0.000 0.545 417 Q N -0.068 119.743 119.800 0.018 0.000 2.172 417 Q HA -0.136 4.203 4.340 -0.002 0.000 0.200 417 Q C 1.914 177.794 176.000 -0.200 0.000 0.964 417 Q CA 1.261 57.028 55.803 -0.060 0.000 0.855 417 Q CB -0.017 28.698 28.738 -0.039 0.000 0.918 417 Q HN 0.318 nan 8.270 nan 0.000 0.444 418 Q N -0.544 119.020 119.800 -0.393 0.000 2.123 418 Q HA -0.070 4.269 4.340 -0.002 0.000 0.199 418 Q C 1.977 177.580 176.000 -0.662 0.000 0.966 418 Q CA 0.719 56.099 55.803 -0.704 0.000 0.845 418 Q CB -0.210 27.679 28.738 -1.416 0.000 0.907 418 Q HN 0.318 nan 8.270 nan 0.000 0.439 419 L N 1.363 122.243 121.223 -0.572 0.000 2.043 419 L HA -0.203 4.136 4.340 -0.002 0.000 0.212 419 L C 2.323 179.112 176.870 -0.136 0.000 1.075 419 L CA 1.817 56.483 54.840 -0.290 0.000 0.752 419 L CB -0.373 41.552 42.059 -0.224 0.000 0.891 419 L HN 0.275 nan 8.230 nan 0.000 0.432 420 R N -1.600 118.836 120.500 -0.106 0.000 2.317 420 R HA 0.108 4.447 4.340 -0.002 0.000 0.208 420 R C 1.694 177.951 176.300 -0.071 0.000 0.914 420 R CA 0.876 56.943 56.100 -0.054 0.000 1.060 420 R CB -0.559 29.732 30.300 -0.016 0.000 1.015 420 R HN 0.423 nan 8.270 nan 0.000 0.498 421 S N 0.154 115.784 115.700 -0.116 0.000 2.558 421 S HA 0.095 4.564 4.470 -0.002 0.000 0.217 421 S C 0.892 175.442 174.600 -0.084 0.000 0.975 421 S CA -0.460 57.679 58.200 -0.101 0.000 0.912 421 S CB 0.028 63.151 63.200 -0.129 0.000 0.776 421 S HN 0.037 nan 8.310 nan 0.000 0.526 422 V N 4.140 124.003 119.914 -0.084 0.000 2.617 422 V HA 0.193 4.312 4.120 -0.002 0.000 0.304 422 V C 1.129 177.205 176.094 -0.030 0.000 1.040 422 V CA 0.485 62.757 62.300 -0.047 0.000 1.149 422 V CB 0.055 31.865 31.823 -0.022 0.000 0.914 422 V HN 0.707 nan 8.190 nan 0.000 0.487 423 T N 2.486 117.025 114.554 -0.025 0.000 2.912 423 T HA 0.623 4.972 4.350 -0.002 0.000 0.280 423 T C 1.223 175.912 174.700 -0.018 0.000 0.989 423 T CA -0.149 61.938 62.100 -0.022 0.000 0.995 423 T CB 1.762 70.617 68.868 -0.023 0.000 1.077 423 T HN 0.692 nan 8.240 nan 0.000 0.531 424 A N 0.946 123.756 122.820 -0.017 0.000 1.902 424 A HA 0.170 4.489 4.320 -0.002 0.000 0.217 424 A C 2.645 180.214 177.584 -0.025 0.000 1.181 424 A CA 1.950 53.976 52.037 -0.017 0.000 0.623 424 A CB -1.619 17.372 19.000 -0.015 0.000 0.818 424 A HN 1.281 nan 8.150 nan 0.000 0.443 425 A N -0.173 122.632 122.820 -0.025 0.000 1.892 425 A HA -0.239 4.080 4.320 -0.002 0.000 0.218 425 A C 1.926 179.488 177.584 -0.037 0.000 1.188 425 A CA 1.888 53.907 52.037 -0.030 0.000 0.631 425 A CB -0.622 18.363 19.000 -0.026 0.000 0.822 425 A HN 0.657 nan 8.150 nan 0.000 0.447 426 E N -0.555 119.625 120.200 -0.033 0.000 2.110 426 E HA -0.108 4.241 4.350 -0.002 0.000 0.193 426 E C 1.979 178.547 176.600 -0.052 0.000 0.988 426 E CA 1.207 57.585 56.400 -0.036 0.000 0.804 426 E CB -0.244 29.443 29.700 -0.021 0.000 0.745 426 E HN 0.420 nan 8.360 nan 0.000 0.458 427 V N 1.584 121.471 119.914 -0.045 0.000 2.343 427 V HA -0.281 3.838 4.120 -0.002 0.000 0.247 427 V C 2.353 178.396 176.094 -0.086 0.000 1.051 427 V CA 1.904 64.169 62.300 -0.058 0.000 1.036 427 V CB -0.434 31.371 31.823 -0.031 0.000 0.654 427 V HN 0.204 nan 8.190 nan 0.000 0.451 428 K N 0.579 120.936 120.400 -0.071 0.000 2.026 428 K HA -0.178 4.141 4.320 -0.002 0.000 0.208 428 K C 2.154 178.694 176.600 -0.101 0.000 1.048 428 K CA 1.696 57.935 56.287 -0.080 0.000 0.929 428 K CB -0.392 32.074 32.500 -0.058 0.000 0.713 428 K HN 0.409 nan 8.250 nan 0.000 0.439 429 A N 0.663 123.430 122.820 -0.089 0.000 2.015 429 A HA -0.037 4.282 4.320 -0.002 0.000 0.219 429 A C 2.208 179.713 177.584 -0.132 0.000 1.163 429 A CA 1.643 53.624 52.037 -0.094 0.000 0.646 429 A CB -0.595 18.363 19.000 -0.069 0.000 0.806 429 A HN 0.504 nan 8.150 nan 0.000 0.448 430 A N -0.169 122.557 122.820 -0.155 0.000 1.929 430 A HA 0.264 4.583 4.320 -0.002 0.000 0.216 430 A C 2.441 179.833 177.584 -0.322 0.000 1.176 430 A CA 1.634 53.536 52.037 -0.226 0.000 0.628 430 A CB -0.840 18.025 19.000 -0.225 0.000 0.816 430 A HN 0.963 nan 8.150 nan 0.000 0.444 431 A N -0.033 122.616 122.820 -0.286 0.000 1.972 431 A HA 0.193 4.512 4.320 -0.002 0.000 0.219 431 A C 2.396 179.801 177.584 -0.298 0.000 1.169 431 A CA 1.792 53.632 52.037 -0.328 0.000 0.635 431 A CB -0.848 18.012 19.000 -0.233 0.000 0.810 431 A HN 1.035 nan 8.150 nan 0.000 0.446 432 A N 0.540 123.232 122.820 -0.214 0.000 2.070 432 A HA -0.141 4.178 4.320 -0.002 0.000 0.220 432 A C 2.139 179.613 177.584 -0.184 0.000 1.159 432 A CA 1.461 53.397 52.037 -0.168 0.000 0.656 432 A CB -0.496 18.435 19.000 -0.116 0.000 0.800 432 A HN 0.721 nan 8.150 nan 0.000 0.453 433 R N -1.260 119.099 120.500 -0.235 0.000 2.275 433 R HA 0.119 4.458 4.340 -0.002 0.000 0.199 433 R C 0.492 176.592 176.300 -0.334 0.000 0.989 433 R CA 0.696 56.663 56.100 -0.223 0.000 1.016 433 R CB -0.221 29.958 30.300 -0.202 0.000 0.918 433 R HN 0.301 nan 8.270 nan 0.000 0.473 434 L N 0.558 121.468 121.223 -0.521 0.000 2.607 434 L HA 0.141 4.480 4.340 -0.002 0.000 0.228 434 L C 1.496 178.076 176.870 -0.483 0.000 1.123 434 L CA 0.329 54.612 54.840 -0.929 0.000 0.890 434 L CB 0.007 41.268 42.059 -1.330 0.000 1.103 434 L HN 0.133 nan 8.230 nan 0.000 0.468 435 L N -0.716 120.370 121.223 -0.229 0.000 2.017 435 L HA -0.095 4.244 4.340 -0.002 0.000 0.208 435 L C 1.574 178.481 176.870 0.061 0.000 1.073 435 L CA 1.373 56.173 54.840 -0.066 0.000 0.745 435 L CB -0.980 41.041 42.059 -0.062 0.000 0.894 435 L HN 0.232 nan 8.230 nan 0.000 0.432 436 T N -0.690 113.911 114.554 0.077 0.000 2.860 436 T HA 0.045 4.394 4.350 -0.002 0.000 0.299 436 T C 0.635 175.505 174.700 0.283 0.000 1.045 436 T CA 0.028 62.212 62.100 0.140 0.000 1.071 436 T CB 0.641 69.569 68.868 0.100 0.000 0.985 436 T HN 0.443 nan 8.240 nan 0.000 0.537 437 D N 0.647 121.153 120.400 0.177 0.000 2.395 437 D HA 0.140 4.779 4.640 -0.002 0.000 0.213 437 D C 0.873 177.214 176.300 0.069 0.000 1.110 437 D CA -0.154 53.919 54.000 0.120 0.000 0.835 437 D CB 0.081 40.906 40.800 0.042 0.000 0.965 437 D HN 0.392 nan 8.370 nan 0.000 0.505 438 D N 0.531 120.992 120.400 0.102 0.000 2.178 438 D HA -0.115 4.524 4.640 -0.002 0.000 0.201 438 D C 1.566 177.920 176.300 0.089 0.000 0.980 438 D CA 1.891 55.937 54.000 0.077 0.000 0.842 438 D CB -0.110 40.736 40.800 0.076 0.000 0.948 438 D HN 0.480 nan 8.370 nan 0.000 0.472 439 T N -1.951 112.690 114.554 0.146 0.000 3.129 439 T HA 0.263 4.612 4.350 -0.002 0.000 0.267 439 T C 0.329 175.035 174.700 0.010 0.000 1.018 439 T CA -0.599 61.611 62.100 0.182 0.000 0.903 439 T CB -0.022 69.025 68.868 0.298 0.000 1.067 439 T HN -0.101 nan 8.240 nan 0.000 0.549 440 L N 2.299 123.411 121.223 -0.184 0.000 2.289 440 L HA 0.663 5.002 4.340 -0.002 0.000 0.285 440 L C -0.761 175.885 176.870 -0.374 0.000 1.049 440 L CA 0.081 54.578 54.840 -0.571 0.000 0.804 440 L CB 1.560 43.179 42.059 -0.733 0.000 1.195 440 L HN 0.065 nan 8.230 nan 0.000 0.428 441 T N 4.682 118.986 114.554 -0.418 0.000 2.779 441 T HA 0.576 4.925 4.350 -0.002 0.000 0.280 441 T C -0.738 173.781 174.700 -0.302 0.000 0.987 441 T CA -0.392 61.536 62.100 -0.287 0.000 0.966 441 T CB 1.376 70.099 68.868 -0.242 0.000 0.933 441 T HN 0.363 nan 8.240 nan 0.000 0.442 442 V N 2.854 122.636 119.914 -0.220 0.000 2.357 442 V HA 0.752 4.871 4.120 -0.002 0.000 0.284 442 V C 0.088 176.110 176.094 -0.120 0.000 1.018 442 V CA -0.875 61.312 62.300 -0.187 0.000 0.841 442 V CB 1.131 32.857 31.823 -0.161 0.000 0.991 442 V HN 1.064 nan 8.190 nan 0.000 0.437 443 A N 4.912 127.668 122.820 -0.107 0.000 2.318 443 A HA 0.839 5.158 4.320 -0.002 0.000 0.324 443 A C -0.291 177.285 177.584 -0.014 0.000 1.170 443 A CA -0.702 51.303 52.037 -0.054 0.000 0.810 443 A CB 0.795 19.761 19.000 -0.056 0.000 1.198 443 A HN 1.048 nan 8.150 nan 0.000 0.484 444 N N 1.187 119.892 118.700 0.007 0.000 2.238 444 N HA 0.588 5.327 4.740 -0.002 0.000 0.302 444 N C -1.277 174.268 175.510 0.058 0.000 1.072 444 N CA -0.717 52.353 53.050 0.033 0.000 0.792 444 N CB 1.822 40.312 38.487 0.005 0.000 1.425 444 N HN 0.547 nan 8.380 nan 0.000 0.478 445 L N 2.426 123.707 121.223 0.097 0.000 2.287 445 L HA 0.579 4.918 4.340 -0.002 0.000 0.287 445 L C -1.179 175.732 176.870 0.068 0.000 1.022 445 L CA -0.968 53.925 54.840 0.089 0.000 0.814 445 L CB 1.083 43.215 42.059 0.123 0.000 1.217 445 L HN 0.491 nan 8.230 nan 0.000 0.420 446 V N 7.246 127.187 119.914 0.045 0.000 2.385 446 V HA 0.347 4.466 4.120 -0.002 0.000 0.269 446 V C -1.952 174.163 176.094 0.035 0.000 1.043 446 V CA -1.444 60.877 62.300 0.034 0.000 0.906 446 V CB 0.919 32.755 31.823 0.022 0.000 0.995 446 V HN 0.678 nan 8.190 nan 0.000 0.467 447 P HA 0.314 nan 4.420 nan 0.000 0.281 447 P C -0.874 176.441 177.300 0.024 0.000 1.252 447 P CA -0.155 62.965 63.100 0.034 0.000 0.778 447 P CB 0.971 32.693 31.700 0.036 0.000 0.895 448 L N 5.725 126.962 121.223 0.023 0.000 2.322 448 L HA 0.438 4.777 4.340 -0.002 0.000 0.279 448 L C -1.991 174.890 176.870 0.019 0.000 1.036 448 L CA -2.826 52.026 54.840 0.019 0.000 0.807 448 L CB 1.338 43.407 42.059 0.018 0.000 1.226 448 L HN 0.167 nan 8.230 nan 0.000 0.433 449 P HA 0.084 nan 4.420 nan 0.000 0.261 449 P C -2.399 174.911 177.300 0.017 0.000 1.183 449 P CA -0.633 62.476 63.100 0.015 0.000 0.761 449 P CB -0.287 31.421 31.700 0.012 0.000 0.785 450 P HA 0.000 nan 4.420 nan 0.000 0.216 450 P CA 0.000 63.112 63.100 0.020 0.000 0.800 450 P CB 0.000 31.712 31.700 0.019 0.000 0.726