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 2hty_1_B DATA FIRST_RESID 83 DATA SEQUENCE VKLAGNSSLc PINGWAVYSK DNSIRIGSKG DVFVIREPFI ScSHLEcRTF DATA SEQUENCE FLTQGALLND KHSNGTVKDR SPHRTLMSCP VGEAPSYNSR FESVAWSASA DATA SEQUENCE cHDGTSWLTI GISGPDNGAV AVLKYNGIIT DTIKSWRNNI LRTQESEcAc DATA SEQUENCE VNGScFTVMT DGPSNGQASY KIFKMEKGKV VKSVELDAPN YHYEEcScYP DATA SEQUENCE NAGEITcVcR DNWHGSNRPW VSFNXQNLEY QIGYIcSGVF GDNPRPNDGT DATA SEQUENCE GXScXXGPVS SNGAYGVKGF SFKYGNGVWI GRTKSTNSRS GFEMIWDPNG DATA SEQUENCE WTETDSSFSV XKQDIVAITD WSGYSGSFVL TGLDcIRPcF WVELIRGRPK DATA SEQUENCE EXSTIWTSGS SISFcGVNSD TVGWSWPDGA ELPFTI 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 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.046 176.094 -0.080 0.000 1.182 83 V CA 0.000 62.260 62.300 -0.067 0.000 1.235 83 V CB 0.000 31.798 31.823 -0.042 0.000 1.184 84 K N 3.151 123.524 120.400 -0.044 0.000 2.561 84 K HA 0.168 4.489 4.320 0.000 0.000 0.280 84 K C -0.183 176.413 176.600 -0.007 0.000 0.975 84 K CA -0.235 56.037 56.287 -0.025 0.000 1.024 84 K CB 0.426 32.923 32.500 -0.004 0.000 0.883 84 K HN 0.415 nan 8.250 nan 0.000 0.496 85 L N 3.061 124.291 121.223 0.012 0.000 2.433 85 L HA 0.070 4.410 4.340 0.000 0.000 0.275 85 L C -0.076 176.826 176.870 0.053 0.000 1.128 85 L CA 0.675 55.539 54.840 0.040 0.000 0.875 85 L CB 0.024 42.125 42.059 0.069 0.000 1.171 85 L HN 0.733 nan 8.230 nan 0.000 0.463 86 A N 3.539 126.387 122.820 0.046 0.000 2.401 86 A HA 0.575 4.895 4.320 0.000 0.000 0.259 86 A C 0.914 178.533 177.584 0.059 0.000 1.103 86 A CA 0.158 52.224 52.037 0.049 0.000 0.789 86 A CB 0.405 19.427 19.000 0.035 0.000 1.035 86 A HN 0.892 nan 8.150 nan 0.000 0.491 87 G N 0.510 109.350 108.800 0.065 0.000 3.899 87 G HA2 0.108 4.068 3.960 0.000 0.000 0.293 87 G HA3 0.108 4.068 3.960 0.000 0.000 0.293 87 G C 0.509 175.433 174.900 0.040 0.000 1.054 87 G CA 0.274 45.414 45.100 0.066 0.000 0.846 87 G HN 0.938 nan 8.290 nan 0.000 0.525 88 N N -0.064 118.655 118.700 0.032 0.000 2.494 88 N HA -0.025 4.716 4.740 0.000 0.000 0.182 88 N C 1.243 176.759 175.510 0.009 0.000 1.076 88 N CA 0.288 53.349 53.050 0.018 0.000 0.908 88 N CB 0.138 38.636 38.487 0.018 0.000 0.967 88 N HN 0.247 nan 8.380 nan 0.000 0.449 89 S N -0.295 115.412 115.700 0.012 0.000 2.681 89 S HA 0.427 4.897 4.470 0.000 0.000 0.270 89 S C 0.065 174.664 174.600 -0.002 0.000 1.209 89 S CA -0.882 57.321 58.200 0.004 0.000 0.988 89 S CB 1.644 64.847 63.200 0.005 0.000 1.006 89 S HN 0.077 nan 8.310 nan 0.000 0.558 90 S N 0.006 115.699 115.700 -0.012 0.000 2.730 90 S HA 0.480 4.950 4.470 0.000 0.000 0.284 90 S C 0.038 174.617 174.600 -0.035 0.000 1.153 90 S CA -0.868 57.316 58.200 -0.027 0.000 0.995 90 S CB 0.212 63.394 63.200 -0.030 0.000 1.058 90 S HN 0.604 nan 8.310 nan 0.000 0.552 91 L N 1.343 122.518 121.223 -0.080 0.000 2.453 91 L HA 0.130 4.471 4.340 0.000 0.000 0.272 91 L C 0.020 176.889 176.870 -0.001 0.000 1.182 91 L CA -0.507 54.271 54.840 -0.104 0.000 0.858 91 L CB -0.036 41.819 42.059 -0.341 0.000 1.120 91 L HN 0.663 nan 8.230 nan 0.000 0.474 92 c N 4.185 122.773 118.600 -0.020 0.000 2.676 92 c HA 0.190 4.760 4.570 0.000 0.000 0.416 92 c C -1.540 172.571 174.090 0.035 0.000 1.299 92 c CA -0.929 55.385 56.329 -0.025 0.000 2.048 92 c CB -0.326 42.124 42.510 -0.101 0.000 2.713 92 c HN 0.531 nan 8.230 nan 0.000 0.624 93 P HA 0.505 nan 4.420 nan 0.000 0.278 93 P C -0.828 176.313 177.300 -0.265 0.000 1.238 93 P CA 0.218 63.255 63.100 -0.106 0.000 0.794 93 P CB 0.735 32.382 31.700 -0.088 0.000 0.955 94 I N -1.209 119.096 120.570 -0.442 0.000 3.191 94 I HA 0.502 4.672 4.170 0.000 0.000 0.313 94 I C 0.008 175.854 176.117 -0.453 0.000 1.193 94 I CA -0.998 59.996 61.300 -0.510 0.000 0.968 94 I CB 2.216 39.733 38.000 -0.805 0.000 1.262 94 I HN 0.025 nan 8.210 nan 0.000 0.456 95 N N 0.867 119.322 118.700 -0.408 0.000 2.360 95 N HA 0.361 5.101 4.740 0.000 0.000 0.211 95 N C 0.280 175.676 175.510 -0.189 0.000 1.147 95 N CA 0.569 53.489 53.050 -0.216 0.000 0.866 95 N CB 1.891 40.290 38.487 -0.147 0.000 1.206 95 N HN 0.925 nan 8.380 nan 0.000 0.478 96 G N -0.401 108.097 108.800 -0.504 0.000 2.634 96 G HA2 0.494 4.454 3.960 0.000 0.000 0.309 96 G HA3 0.494 4.454 3.960 0.000 0.000 0.309 96 G C -2.187 172.192 174.900 -0.868 0.000 1.299 96 G CA -0.728 44.074 45.100 -0.498 0.000 0.798 96 G HN 0.050 nan 8.290 nan 0.000 0.490 97 W N 0.279 121.550 121.300 -0.049 0.000 2.683 97 W HA 0.717 5.377 4.660 0.000 0.000 0.329 97 W C 0.171 176.803 176.519 0.188 0.000 1.037 97 W CA -0.725 56.643 57.345 0.038 0.000 1.232 97 W CB 2.087 31.616 29.460 0.115 0.000 1.390 97 W HN 0.733 nan 8.180 nan 0.000 0.465 98 A N 2.668 125.663 122.820 0.291 0.000 2.310 98 A HA 0.713 5.033 4.320 0.000 0.000 0.299 98 A C -0.108 177.578 177.584 0.171 0.000 1.147 98 A CA -0.773 51.399 52.037 0.225 0.000 0.818 98 A CB 0.337 19.390 19.000 0.088 0.000 1.096 98 A HN 0.662 nan 8.150 nan 0.000 0.495 99 V N 1.146 121.024 119.914 -0.061 0.000 2.673 99 V HA 0.017 4.137 4.120 0.000 0.000 0.303 99 V C 0.695 176.592 176.094 -0.327 0.000 1.046 99 V CA 0.452 62.341 62.300 -0.685 0.000 1.126 99 V CB -0.497 30.812 31.823 -0.857 0.000 0.934 99 V HN 0.941 nan 8.190 nan 0.000 0.487 100 Y N 2.919 122.887 120.300 -0.554 0.000 2.609 100 Y HA 0.342 4.892 4.550 0.000 0.000 0.281 100 Y C 1.218 176.966 175.900 -0.254 0.000 1.132 100 Y CA 0.588 58.525 58.100 -0.273 0.000 1.264 100 Y CB 0.666 39.049 38.460 -0.129 0.000 1.325 100 Y HN 0.917 nan 8.280 nan 0.000 0.514 101 S N -0.068 115.431 115.700 -0.335 0.000 2.565 101 S HA 0.543 5.014 4.470 0.000 0.000 0.269 101 S C -1.493 172.941 174.600 -0.277 0.000 1.153 101 S CA -1.003 57.000 58.200 -0.329 0.000 0.835 101 S CB 2.677 65.694 63.200 -0.306 0.000 1.122 101 S HN 0.164 nan 8.310 nan 0.000 0.462 102 K N 0.706 120.990 120.400 -0.194 0.000 2.588 102 K HA 0.315 4.635 4.320 0.000 0.000 0.250 102 K C -0.801 175.751 176.600 -0.080 0.000 0.972 102 K CA -0.409 55.811 56.287 -0.111 0.000 0.821 102 K CB 1.303 33.762 32.500 -0.068 0.000 1.249 102 K HN 0.765 nan 8.250 nan 0.000 0.442 103 D N 2.928 123.289 120.400 -0.066 0.000 2.327 103 D HA -0.060 4.580 4.640 0.000 0.000 0.205 103 D C -0.130 176.143 176.300 -0.045 0.000 0.989 103 D CA 0.413 54.367 54.000 -0.077 0.000 0.873 103 D CB -0.262 40.469 40.800 -0.114 0.000 0.955 103 D HN 0.808 nan 8.370 nan 0.000 0.515 104 N N -0.341 118.355 118.700 -0.005 0.000 2.681 104 N HA -0.284 4.456 4.740 0.000 0.000 0.250 104 N C 0.919 176.432 175.510 0.006 0.000 1.133 104 N CA 0.618 53.682 53.050 0.022 0.000 0.732 104 N CB -1.137 37.364 38.487 0.024 0.000 1.107 104 N HN 0.396 nan 8.380 nan 0.000 0.559 105 S N -0.043 115.641 115.700 -0.027 0.000 2.374 105 S HA -0.198 4.272 4.470 0.000 0.000 0.227 105 S C 1.580 176.174 174.600 -0.010 0.000 1.037 105 S CA 1.346 59.513 58.200 -0.056 0.000 1.024 105 S CB -0.277 62.853 63.200 -0.116 0.000 0.861 105 S HN 0.470 nan 8.310 nan 0.000 0.456 106 I N 1.458 122.053 120.570 0.041 0.000 2.252 106 I HA -0.136 4.034 4.170 0.000 0.000 0.245 106 I C 3.105 179.360 176.117 0.231 0.000 1.102 106 I CA 1.293 62.659 61.300 0.110 0.000 1.385 106 I CB -0.379 37.699 38.000 0.131 0.000 1.064 106 I HN 0.250 nan 8.210 nan 0.000 0.414 107 R N 0.807 121.408 120.500 0.168 0.000 2.081 107 R HA -0.092 4.248 4.340 0.000 0.000 0.235 107 R C 2.316 178.653 176.300 0.062 0.000 1.131 107 R CA 1.383 57.571 56.100 0.146 0.000 0.960 107 R CB -0.247 30.111 30.300 0.097 0.000 0.856 107 R HN 0.341 nan 8.270 nan 0.000 0.436 108 I N -0.416 120.171 120.570 0.028 0.000 2.286 108 I HA -0.113 4.057 4.170 0.000 0.000 0.245 108 I C 2.400 178.494 176.117 -0.039 0.000 1.104 108 I CA 1.241 62.529 61.300 -0.020 0.000 1.397 108 I CB -0.542 37.436 38.000 -0.036 0.000 1.072 108 I HN 0.293 nan 8.210 nan 0.000 0.417 109 G N -0.190 108.601 108.800 -0.014 0.000 2.535 109 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 109 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 109 G C 1.702 176.584 174.900 -0.030 0.000 1.122 109 G CA 0.956 46.037 45.100 -0.032 0.000 0.769 109 G HN 0.377 nan 8.290 nan 0.000 0.549 110 S N -0.345 115.304 115.700 -0.084 0.000 2.400 110 S HA -0.111 4.359 4.470 0.000 0.000 0.232 110 S C 2.060 176.475 174.600 -0.308 0.000 1.025 110 S CA 2.162 60.083 58.200 -0.465 0.000 0.993 110 S CB -0.137 62.705 63.200 -0.597 0.000 0.808 110 S HN 0.614 nan 8.310 nan 0.000 0.478 111 K N -0.947 119.349 120.400 -0.174 0.000 2.485 111 K HA 0.259 4.579 4.320 0.000 0.000 0.200 111 K C 1.008 177.554 176.600 -0.090 0.000 1.352 111 K CA 0.489 56.700 56.287 -0.126 0.000 0.953 111 K CB -0.120 32.319 32.500 -0.103 0.000 1.387 111 K HN 0.275 nan 8.250 nan 0.000 0.512 112 G N 1.306 110.056 108.800 -0.083 0.000 2.594 112 G HA2 0.071 4.031 3.960 0.000 0.000 0.243 112 G HA3 0.071 4.031 3.960 0.000 0.000 0.243 112 G C -0.855 173.978 174.900 -0.112 0.000 1.229 112 G CA -0.354 44.702 45.100 -0.074 0.000 0.843 112 G HN 0.287 nan 8.290 nan 0.000 0.578 113 D N 0.667 120.986 120.400 -0.135 0.000 2.453 113 D HA 0.274 4.914 4.640 0.000 0.000 0.223 113 D C -0.035 176.019 176.300 -0.411 0.000 1.183 113 D CA 0.199 54.044 54.000 -0.257 0.000 0.933 113 D CB 1.134 41.764 40.800 -0.283 0.000 1.038 113 D HN -0.012 nan 8.370 nan 0.000 0.513 114 V N 2.464 122.190 119.914 -0.314 0.000 2.555 114 V HA 0.347 4.467 4.120 0.000 0.000 0.302 114 V C 0.308 176.257 176.094 -0.242 0.000 1.038 114 V CA -0.963 61.144 62.300 -0.321 0.000 0.887 114 V CB 1.505 33.209 31.823 -0.197 0.000 0.991 114 V HN 0.301 nan 8.190 nan 0.000 0.434 115 F N 2.427 122.262 119.950 -0.191 0.000 2.518 115 F HA 0.228 4.756 4.527 0.000 0.000 0.359 115 F C 0.629 176.350 175.800 -0.132 0.000 1.118 115 F CA -0.066 57.858 58.000 -0.128 0.000 1.287 115 F CB 1.180 40.144 39.000 -0.059 0.000 1.132 115 F HN 0.346 nan 8.300 nan 0.000 0.587 116 V N 7.139 127.144 119.914 0.152 0.000 2.427 116 V HA 0.400 4.520 4.120 0.000 0.000 0.268 116 V C -0.186 175.959 176.094 0.084 0.000 1.046 116 V CA -0.271 62.061 62.300 0.053 0.000 0.970 116 V CB -0.257 31.593 31.823 0.045 0.000 1.001 116 V HN 0.621 nan 8.190 nan 0.000 0.476 117 I N 5.293 125.891 120.570 0.047 0.000 3.237 117 I HA 0.864 5.034 4.170 0.000 0.000 0.308 117 I C -0.531 175.622 176.117 0.060 0.000 1.093 117 I CA -1.229 60.109 61.300 0.064 0.000 1.001 117 I CB 2.223 40.213 38.000 -0.016 0.000 1.245 117 I HN 0.408 nan 8.210 nan 0.000 0.485 118 R N 1.216 121.763 120.500 0.078 0.000 2.707 118 R HA 0.250 4.590 4.340 0.000 0.000 0.272 118 R C -1.236 175.112 176.300 0.080 0.000 1.011 118 R CA -0.462 55.664 56.100 0.043 0.000 0.893 118 R CB 1.484 31.799 30.300 0.024 0.000 1.233 118 R HN 0.943 nan 8.270 nan 0.000 0.464 119 E N 0.601 120.844 120.200 0.071 0.000 2.202 119 E HA -0.144 4.207 4.350 0.000 0.000 0.169 119 E C -2.002 174.609 176.600 0.019 0.000 1.536 119 E CA 0.143 56.658 56.400 0.191 0.000 0.664 119 E CB -0.987 28.938 29.700 0.375 0.000 1.064 119 E HN 0.216 nan 8.360 nan 0.000 0.327 120 P HA 0.071 nan 4.420 nan 0.000 0.231 120 P C -0.265 176.523 177.300 -0.853 0.000 1.811 120 P CA -0.314 62.588 63.100 -0.330 0.000 1.051 120 P CB -0.887 30.676 31.700 -0.228 0.000 1.951 121 F N 1.492 120.890 119.950 -0.920 0.000 2.418 121 F HA 0.485 5.013 4.527 0.000 0.000 0.341 121 F C 0.037 175.491 175.800 -0.577 0.000 1.120 121 F CA -1.227 55.996 58.000 -1.295 0.000 1.232 121 F CB 0.271 39.024 39.000 -0.412 0.000 1.175 121 F HN -0.034 nan 8.300 nan 0.000 0.569 122 I N 2.539 122.860 120.570 -0.414 0.000 2.437 122 I HA 0.410 4.580 4.170 0.000 0.000 0.298 122 I C -0.096 176.052 176.117 0.052 0.000 0.984 122 I CA -0.564 60.544 61.300 -0.319 0.000 1.214 122 I CB 1.741 39.200 38.000 -0.903 0.000 1.365 122 I HN 0.789 nan 8.210 nan 0.000 0.469 123 S N 4.451 120.303 115.700 0.254 0.000 2.540 123 S HA 0.647 5.117 4.470 0.000 0.000 0.275 123 S C -1.054 173.936 174.600 0.651 0.000 1.123 123 S CA -0.446 58.080 58.200 0.544 0.000 0.907 123 S CB 1.235 64.843 63.200 0.680 0.000 1.081 123 S HN 0.696 nan 8.310 nan 0.000 0.476 124 c N 2.404 121.329 118.600 0.542 0.000 2.719 124 c HA 0.949 5.519 4.570 0.000 0.000 0.327 124 c C 0.904 175.014 174.090 0.034 0.000 1.238 124 c CA -0.576 55.972 56.329 0.364 0.000 1.727 124 c CB 1.271 43.953 42.510 0.285 0.000 2.256 124 c HN 1.017 nan 8.230 nan 0.000 0.489 125 S N 0.074 115.646 115.700 -0.213 0.000 2.788 125 S HA 0.388 4.858 4.470 0.000 0.000 0.291 125 S C 0.614 175.084 174.600 -0.216 0.000 1.061 125 S CA -0.168 57.660 58.200 -0.621 0.000 0.923 125 S CB 0.048 62.437 63.200 -1.350 0.000 1.339 125 S HN 0.927 nan 8.310 nan 0.000 0.591 126 H N 0.085 118.939 119.070 -0.361 0.000 2.526 126 H HA 0.460 5.016 4.556 0.000 0.000 0.274 126 H C 0.865 176.129 175.328 -0.106 0.000 0.999 126 H CA 0.091 56.055 56.048 -0.141 0.000 1.157 126 H CB -0.385 29.330 29.762 -0.079 0.000 1.407 126 H HN 0.466 nan 8.280 nan 0.000 0.568 127 L N -0.239 120.686 121.223 -0.498 0.000 2.966 127 L HA 0.239 4.580 4.340 0.000 0.000 0.262 127 L C 0.166 176.939 176.870 -0.162 0.000 1.068 127 L CA 0.107 54.721 54.840 -0.377 0.000 1.004 127 L CB 0.723 42.468 42.059 -0.524 0.000 1.629 127 L HN 0.209 nan 8.230 nan 0.000 0.542 128 E N -1.050 119.083 120.200 -0.112 0.000 2.449 128 E HA 0.494 4.844 4.350 0.000 0.000 0.278 128 E C -1.611 175.059 176.600 0.118 0.000 0.992 128 E CA -0.870 55.539 56.400 0.016 0.000 0.807 128 E CB 2.173 31.887 29.700 0.025 0.000 1.350 128 E HN -0.122 nan 8.360 nan 0.000 0.462 129 c N 0.804 119.492 118.600 0.147 0.000 2.379 129 c HA 0.664 5.234 4.570 0.000 0.000 0.323 129 c C -0.295 173.849 174.090 0.089 0.000 1.262 129 c CA -0.528 55.918 56.329 0.195 0.000 1.581 129 c CB 0.426 43.076 42.510 0.234 0.000 2.221 129 c HN 0.603 nan 8.230 nan 0.000 0.497 130 R N 0.897 121.436 120.500 0.065 0.000 2.892 130 R HA 0.710 5.050 4.340 0.000 0.000 0.265 130 R C -0.856 175.259 176.300 -0.308 0.000 1.025 130 R CA -0.537 55.437 56.100 -0.209 0.000 0.982 130 R CB 1.708 31.714 30.300 -0.489 0.000 1.185 130 R HN 0.599 nan 8.270 nan 0.000 0.484 131 T N 2.110 116.417 114.554 -0.411 0.000 2.756 131 T HA 0.441 4.791 4.350 0.000 0.000 0.290 131 T C -0.876 173.529 174.700 -0.491 0.000 0.985 131 T CA -0.313 61.568 62.100 -0.365 0.000 0.955 131 T CB 0.190 68.912 68.868 -0.243 0.000 0.930 131 T HN 0.168 nan 8.240 nan 0.000 0.451 132 F N 3.909 123.444 119.950 -0.692 0.000 2.432 132 F HA 0.783 5.310 4.527 0.000 0.000 0.329 132 F C 0.070 175.464 175.800 -0.677 0.000 1.076 132 F CA -1.126 56.332 58.000 -0.903 0.000 1.018 132 F CB 1.042 39.163 39.000 -1.466 0.000 1.201 132 F HN 0.580 nan 8.300 nan 0.000 0.489 133 F N -0.764 118.965 119.950 -0.368 0.000 2.741 133 F HA 0.738 5.265 4.527 0.000 0.000 0.313 133 F C -2.255 173.463 175.800 -0.136 0.000 1.153 133 F CA -1.548 56.311 58.000 -0.236 0.000 0.931 133 F CB 1.178 40.046 39.000 -0.219 0.000 1.335 133 F HN 0.173 nan 8.300 nan 0.000 0.460 134 L N 1.657 122.937 121.223 0.094 0.000 2.334 134 L HA 0.807 5.147 4.340 0.000 0.000 0.276 134 L C -0.615 176.304 176.870 0.081 0.000 1.014 134 L CA -0.731 54.119 54.840 0.016 0.000 0.815 134 L CB 2.437 44.547 42.059 0.085 0.000 1.268 134 L HN 0.969 nan 8.230 nan 0.000 0.428 135 T N -2.088 112.453 114.554 -0.023 0.000 2.900 135 T HA 0.267 4.617 4.350 0.000 0.000 0.295 135 T C 0.150 174.843 174.700 -0.013 0.000 1.044 135 T CA -0.817 61.260 62.100 -0.037 0.000 0.995 135 T CB 2.254 70.957 68.868 -0.275 0.000 1.072 135 T HN 0.396 nan 8.240 nan 0.000 0.473 136 Q N 0.741 120.566 119.800 0.041 0.000 2.482 136 Q HA 0.176 4.517 4.340 0.000 0.000 0.209 136 Q C 1.489 177.530 176.000 0.069 0.000 0.961 136 Q CA 1.034 56.894 55.803 0.095 0.000 0.945 136 Q CB -0.058 28.751 28.738 0.118 0.000 1.012 136 Q HN 1.324 nan 8.270 nan 0.000 0.515 137 G N 0.470 109.264 108.800 -0.011 0.000 2.182 137 G HA2 -0.202 3.758 3.960 0.000 0.000 0.248 137 G HA3 -0.202 3.758 3.960 0.000 0.000 0.248 137 G C -0.017 174.928 174.900 0.076 0.000 1.042 137 G CA 0.328 45.422 45.100 -0.011 0.000 0.775 137 G HN 0.558 nan 8.290 nan 0.000 0.501 138 A N -0.718 122.192 122.820 0.150 0.000 2.454 138 A HA 0.914 5.234 4.320 0.000 0.000 0.302 138 A C -0.145 177.556 177.584 0.196 0.000 1.079 138 A CA -0.776 51.357 52.037 0.161 0.000 0.731 138 A CB 1.434 20.522 19.000 0.147 0.000 1.299 138 A HN 0.753 nan 8.150 nan 0.000 0.413 139 L N 1.283 122.563 121.223 0.096 0.000 2.352 139 L HA 0.468 4.809 4.340 0.000 0.000 0.269 139 L C -0.142 176.685 176.870 -0.071 0.000 1.034 139 L CA -0.792 54.046 54.840 -0.003 0.000 0.806 139 L CB 1.249 43.254 42.059 -0.090 0.000 1.244 139 L HN 0.629 nan 8.230 nan 0.000 0.447 140 L N 2.012 123.147 121.223 -0.146 0.000 2.483 140 L HA -0.004 4.336 4.340 0.000 0.000 0.275 140 L C 0.984 177.748 176.870 -0.176 0.000 1.220 140 L CA 0.201 54.878 54.840 -0.272 0.000 0.833 140 L CB -0.073 41.838 42.059 -0.248 0.000 1.102 140 L HN 0.764 nan 8.230 nan 0.000 0.490 141 N N 0.700 119.274 118.700 -0.209 0.000 2.741 141 N HA -0.204 4.536 4.740 0.000 0.000 0.251 141 N C -0.690 174.792 175.510 -0.046 0.000 1.112 141 N CA 1.146 54.160 53.050 -0.059 0.000 0.750 141 N CB -0.776 37.698 38.487 -0.022 0.000 1.119 141 N HN 0.797 nan 8.380 nan 0.000 0.561 142 D N -0.670 119.696 120.400 -0.056 0.000 2.527 142 D HA 0.319 4.959 4.640 0.000 0.000 0.233 142 D C 1.263 177.550 176.300 -0.022 0.000 1.063 142 D CA -0.498 53.493 54.000 -0.016 0.000 0.880 142 D CB 0.970 41.787 40.800 0.029 0.000 1.457 142 D HN 0.140 nan 8.370 nan 0.000 0.475 143 K N 1.251 121.605 120.400 -0.077 0.000 2.209 143 K HA -0.174 4.146 4.320 0.000 0.000 0.204 143 K C 0.839 177.334 176.600 -0.176 0.000 1.048 143 K CA 1.165 57.367 56.287 -0.141 0.000 0.940 143 K CB -0.169 32.194 32.500 -0.228 0.000 0.729 143 K HN 0.461 nan 8.250 nan 0.000 0.451 144 H N 1.069 120.152 119.070 0.021 0.000 2.563 144 H HA 0.029 4.585 4.556 0.000 0.000 0.272 144 H C 1.546 176.900 175.328 0.043 0.000 1.005 144 H CA 1.236 57.297 56.048 0.023 0.000 1.171 144 H CB 0.300 30.064 29.762 0.004 0.000 1.351 144 H HN 0.498 nan 8.280 nan 0.000 0.602 145 S N -0.107 115.662 115.700 0.116 0.000 2.631 145 S HA -0.060 4.410 4.470 0.000 0.000 0.217 145 S C 1.646 176.345 174.600 0.166 0.000 0.958 145 S CA -0.240 58.033 58.200 0.121 0.000 0.920 145 S CB -0.030 63.189 63.200 0.032 0.000 0.776 145 S HN 0.213 nan 8.310 nan 0.000 0.517 146 N N 2.541 121.315 118.700 0.123 0.000 2.242 146 N HA -0.196 4.544 4.740 0.000 0.000 0.193 146 N C 1.635 177.211 175.510 0.111 0.000 1.000 146 N CA 1.608 54.724 53.050 0.110 0.000 0.885 146 N CB -1.166 37.359 38.487 0.063 0.000 0.988 146 N HN 0.797 nan 8.380 nan 0.000 0.444 147 G N -1.089 107.782 108.800 0.118 0.000 2.216 147 G HA2 -0.396 3.564 3.960 0.000 0.000 0.269 147 G HA3 -0.396 3.564 3.960 0.000 0.000 0.269 147 G C 1.032 175.963 174.900 0.051 0.000 0.981 147 G CA 1.798 46.954 45.100 0.093 0.000 0.658 147 G HN 0.615 nan 8.290 nan 0.000 0.539 148 T N -1.734 112.847 114.554 0.044 0.000 3.072 148 T HA 0.334 4.684 4.350 0.000 0.000 0.266 148 T C 1.265 175.978 174.700 0.022 0.000 1.127 148 T CA 0.633 62.746 62.100 0.021 0.000 1.107 148 T CB 0.058 68.936 68.868 0.017 0.000 0.910 148 T HN 0.664 nan 8.240 nan 0.000 0.513 149 V N 2.942 122.881 119.914 0.042 0.000 2.901 149 V HA 0.099 4.219 4.120 0.000 0.000 0.307 149 V C 0.711 176.812 176.094 0.012 0.000 1.084 149 V CA -1.007 61.317 62.300 0.040 0.000 1.184 149 V CB -0.032 31.839 31.823 0.079 0.000 0.941 149 V HN 0.632 nan 8.190 nan 0.000 0.493 150 K N 3.015 123.406 120.400 -0.015 0.000 2.489 150 K HA 0.046 4.366 4.320 0.000 0.000 0.278 150 K C 0.432 177.000 176.600 -0.052 0.000 1.000 150 K CA -0.154 56.101 56.287 -0.052 0.000 1.012 150 K CB 0.309 32.754 32.500 -0.092 0.000 0.903 150 K HN 0.547 nan 8.250 nan 0.000 0.485 151 D N 2.195 122.559 120.400 -0.059 0.000 2.133 151 D HA -0.171 4.469 4.640 0.000 0.000 0.195 151 D C 0.260 176.518 176.300 -0.069 0.000 0.997 151 D CA 1.554 55.533 54.000 -0.034 0.000 0.840 151 D CB 0.102 40.887 40.800 -0.024 0.000 0.947 151 D HN 0.509 nan 8.370 nan 0.000 0.452 152 R N 1.274 121.626 120.500 -0.247 0.000 3.570 152 R HA 0.182 4.522 4.340 0.000 0.000 0.233 152 R C 0.209 176.310 176.300 -0.333 0.000 1.492 152 R CA -0.243 55.542 56.100 -0.525 0.000 1.504 152 R CB 0.604 30.148 30.300 -1.260 0.000 1.314 152 R HN 0.032 nan 8.270 nan 0.000 0.687 153 S N 0.401 116.055 115.700 -0.077 0.000 2.713 153 S HA 0.410 4.880 4.470 0.000 0.000 0.283 153 S C -1.553 173.049 174.600 0.004 0.000 1.161 153 S CA -1.327 56.830 58.200 -0.072 0.000 0.999 153 S CB 1.504 64.671 63.200 -0.056 0.000 1.039 153 S HN 0.190 nan 8.310 nan 0.000 0.548 154 P HA 0.098 nan 4.420 nan 0.000 0.245 154 P C 0.224 177.485 177.300 -0.065 0.000 1.212 154 P CA 0.750 63.798 63.100 -0.088 0.000 0.774 154 P CB -0.391 31.217 31.700 -0.154 0.000 0.999 155 H N -1.632 117.493 119.070 0.092 0.000 2.592 155 H HA 0.206 4.762 4.556 0.000 0.000 0.265 155 H C 0.919 176.285 175.328 0.064 0.000 0.955 155 H CA -0.544 55.541 56.048 0.061 0.000 1.175 155 H CB 0.184 29.971 29.762 0.042 0.000 1.433 155 H HN -0.094 nan 8.280 nan 0.000 0.537 156 R N 2.659 123.270 120.500 0.185 0.000 2.458 156 R HA 0.028 4.368 4.340 0.000 0.000 0.303 156 R C -0.341 176.014 176.300 0.091 0.000 1.013 156 R CA 0.374 56.560 56.100 0.144 0.000 1.026 156 R CB 0.092 30.522 30.300 0.217 0.000 0.948 156 R HN 0.285 nan 8.270 nan 0.000 0.417 157 T N 1.472 116.035 114.554 0.015 0.000 2.906 157 T HA 0.492 4.842 4.350 0.000 0.000 0.295 157 T C -0.973 173.603 174.700 -0.206 0.000 1.061 157 T CA -1.070 61.008 62.100 -0.037 0.000 1.000 157 T CB 1.371 70.296 68.868 0.095 0.000 1.103 157 T HN 0.341 nan 8.240 nan 0.000 0.486 158 L N 2.598 123.625 121.223 -0.327 0.000 2.275 158 L HA 0.771 5.112 4.340 0.000 0.000 0.288 158 L C -0.774 175.709 176.870 -0.647 0.000 1.046 158 L CA -0.355 54.233 54.840 -0.419 0.000 0.805 158 L CB 0.476 42.356 42.059 -0.298 0.000 1.193 158 L HN 0.842 nan 8.230 nan 0.000 0.426 159 M N 3.350 122.432 119.600 -0.863 0.000 2.664 159 M HA 0.634 5.114 4.480 0.000 0.000 0.279 159 M C -0.728 174.846 176.300 -1.211 0.000 1.275 159 M CA -0.668 54.061 55.300 -0.951 0.000 0.829 159 M CB 2.582 34.662 32.600 -0.866 0.000 1.727 159 M HN 0.674 nan 8.290 nan 0.000 0.459 160 S N 0.183 115.390 115.700 -0.821 0.000 2.588 160 S HA 0.929 5.399 4.470 0.000 0.000 0.275 160 S C -0.951 173.461 174.600 -0.313 0.000 1.130 160 S CA -0.776 56.966 58.200 -0.763 0.000 0.855 160 S CB 1.948 64.261 63.200 -1.479 0.000 1.116 160 S HN 1.148 nan 8.310 nan 0.000 0.472 161 C N -1.173 117.994 119.300 -0.223 0.000 3.288 161 C HA 0.836 5.296 4.460 0.000 0.000 0.318 161 C C -3.078 171.795 174.990 -0.194 0.000 1.356 161 C CA -1.872 57.067 59.018 -0.132 0.000 1.359 161 C CB 0.997 28.733 27.740 -0.008 0.000 1.688 161 C HN 0.765 nan 8.230 nan 0.000 0.467 162 P HA 0.127 nan 4.420 nan 0.000 0.267 162 P C 0.110 177.321 177.300 -0.150 0.000 1.200 162 P CA 0.589 63.607 63.100 -0.136 0.000 0.772 162 P CB 0.381 32.022 31.700 -0.098 0.000 0.855 163 V N 2.626 122.452 119.914 -0.146 0.000 2.720 163 V HA 0.149 4.269 4.120 0.000 0.000 0.307 163 V C 1.911 177.896 176.094 -0.182 0.000 1.071 163 V CA 2.023 64.224 62.300 -0.164 0.000 1.199 163 V CB -0.565 31.178 31.823 -0.133 0.000 0.900 163 V HN 1.085 nan 8.190 nan 0.000 0.494 164 G N 3.476 112.166 108.800 -0.184 0.000 2.199 164 G HA2 -0.222 3.739 3.960 0.000 0.000 0.254 164 G HA3 -0.222 3.739 3.960 0.000 0.000 0.254 164 G C 0.065 174.878 174.900 -0.145 0.000 0.982 164 G CA 0.306 45.300 45.100 -0.176 0.000 0.632 164 G HN 0.690 nan 8.290 nan 0.000 0.529 165 E N 0.492 120.605 120.200 -0.145 0.000 2.242 165 E HA 0.627 4.977 4.350 0.000 0.000 0.275 165 E C 0.542 177.049 176.600 -0.155 0.000 1.002 165 E CA -0.173 56.150 56.400 -0.129 0.000 0.841 165 E CB 1.391 31.023 29.700 -0.113 0.000 1.109 165 E HN 0.597 nan 8.360 nan 0.000 0.394 166 A N 3.985 126.720 122.820 -0.143 0.000 2.450 166 A HA 0.244 4.564 4.320 0.000 0.000 0.255 166 A C -2.108 175.342 177.584 -0.223 0.000 1.096 166 A CA -1.263 50.669 52.037 -0.176 0.000 0.778 166 A CB -0.180 18.737 19.000 -0.139 0.000 1.031 166 A HN 0.336 nan 8.150 nan 0.000 0.494 167 P HA 0.112 nan 4.420 nan 0.000 0.276 167 P C 0.081 177.225 177.300 -0.261 0.000 1.264 167 P CA 0.392 63.285 63.100 -0.344 0.000 0.769 167 P CB 1.216 32.339 31.700 -0.961 0.000 0.840 168 S N 3.244 118.768 115.700 -0.293 0.000 4.228 168 S HA 0.193 4.663 4.470 0.000 0.000 0.207 168 S C 0.954 175.140 174.600 -0.690 0.000 1.152 168 S CA -0.256 57.526 58.200 -0.697 0.000 1.645 168 S CB -0.477 62.360 63.200 -0.604 0.000 1.307 168 S HN 0.398 nan 8.310 nan 0.000 0.761 169 Y N 2.692 122.913 120.300 -0.132 0.000 4.840 169 Y HA -0.307 4.244 4.550 0.000 0.000 0.222 169 Y C 1.368 177.235 175.900 -0.054 0.000 0.988 169 Y CA 1.168 59.220 58.100 -0.081 0.000 1.945 169 Y CB -1.586 36.815 38.460 -0.098 0.000 1.571 169 Y HN 0.825 nan 8.280 nan 0.000 0.532 170 N N -1.506 117.226 118.700 0.054 0.000 2.082 170 N HA 0.069 4.809 4.740 0.000 0.000 0.228 170 N C -0.599 174.933 175.510 0.036 0.000 1.341 170 N CA 0.336 53.405 53.050 0.032 0.000 0.873 170 N CB 0.192 38.676 38.487 -0.005 0.000 1.137 170 N HN 0.036 nan 8.380 nan 0.000 0.505 171 S N 0.873 116.630 115.700 0.096 0.000 2.541 171 S HA 0.366 4.836 4.470 0.000 0.000 0.283 171 S C -0.214 174.434 174.600 0.080 0.000 1.196 171 S CA -0.757 57.529 58.200 0.144 0.000 1.062 171 S CB 2.233 65.682 63.200 0.415 0.000 1.009 171 S HN 0.274 nan 8.310 nan 0.000 0.502 172 R N 1.536 122.015 120.500 -0.035 0.000 2.457 172 R HA 0.342 4.683 4.340 0.000 0.000 0.284 172 R C -1.079 175.179 176.300 -0.070 0.000 1.024 172 R CA -0.530 55.541 56.100 -0.048 0.000 1.025 172 R CB 0.502 30.722 30.300 -0.133 0.000 1.063 172 R HN 0.587 nan 8.270 nan 0.000 0.493 173 F N 3.656 123.542 119.950 -0.106 0.000 2.427 173 F HA 0.173 4.700 4.527 0.000 0.000 0.352 173 F C 0.559 176.279 175.800 -0.134 0.000 1.100 173 F CA -0.014 57.910 58.000 -0.126 0.000 1.191 173 F CB 1.096 40.052 39.000 -0.074 0.000 1.128 173 F HN 0.647 nan 8.300 nan 0.000 0.533 174 E N 2.587 122.123 120.200 -1.108 0.000 2.192 174 E HA 0.151 4.501 4.350 0.000 0.000 0.196 174 E C -0.099 175.925 176.600 -0.960 0.000 0.922 174 E CA 0.404 56.345 56.400 -0.766 0.000 0.924 174 E CB 0.298 29.723 29.700 -0.458 0.000 0.911 174 E HN 0.471 nan 8.360 nan 0.000 0.478 175 S N -0.556 114.426 115.700 -1.196 0.000 2.587 175 S HA 0.333 4.803 4.470 0.000 0.000 0.269 175 S C -1.483 172.920 174.600 -0.329 0.000 1.154 175 S CA -0.662 57.172 58.200 -0.609 0.000 0.824 175 S CB 1.406 64.434 63.200 -0.287 0.000 1.118 175 S HN -0.101 nan 8.310 nan 0.000 0.462 176 V N 2.487 122.426 119.914 0.042 0.000 2.455 176 V HA 0.766 4.886 4.120 0.000 0.000 0.273 176 V C 0.470 176.518 176.094 -0.077 0.000 1.045 176 V CA 0.621 62.972 62.300 0.085 0.000 0.976 176 V CB 0.036 31.933 31.823 0.124 0.000 0.993 176 V HN 1.105 nan 8.190 nan 0.000 0.475 177 A N 5.452 128.218 122.820 -0.090 0.000 2.582 177 A HA 0.585 4.905 4.320 0.000 0.000 0.297 177 A C -0.414 177.134 177.584 -0.060 0.000 1.059 177 A CA -0.722 51.190 52.037 -0.207 0.000 0.705 177 A CB 1.056 19.919 19.000 -0.228 0.000 1.279 177 A HN 0.964 nan 8.150 nan 0.000 0.404 178 W N 1.133 122.436 121.300 0.004 0.000 2.991 178 W HA 0.568 5.228 4.660 0.000 0.000 0.391 178 W C 0.001 176.542 176.519 0.036 0.000 1.054 178 W CA 0.251 57.606 57.345 0.018 0.000 1.856 178 W CB 0.218 29.685 29.460 0.012 0.000 1.132 178 W HN 0.962 nan 8.180 nan 0.000 0.601 179 S N 0.674 116.404 115.700 0.050 0.000 2.570 179 S HA 0.624 5.094 4.470 0.000 0.000 0.286 179 S C -1.046 173.507 174.600 -0.078 0.000 1.143 179 S CA 0.136 58.378 58.200 0.069 0.000 0.921 179 S CB 0.861 64.133 63.200 0.120 0.000 1.108 179 S HN 0.420 nan 8.310 nan 0.000 0.456 180 A N 2.345 125.163 122.820 -0.002 0.000 2.515 180 A HA 1.005 5.325 4.320 0.000 0.000 0.299 180 A C -0.621 176.915 177.584 -0.080 0.000 1.179 180 A CA -0.119 51.893 52.037 -0.042 0.000 0.656 180 A CB 1.043 20.039 19.000 -0.007 0.000 1.306 180 A HN 2.096 nan 8.150 nan 0.000 0.459 181 S N -1.495 114.140 115.700 -0.108 0.000 2.587 181 S HA 0.932 5.402 4.470 0.000 0.000 0.269 181 S C -0.746 173.776 174.600 -0.130 0.000 1.154 181 S CA 0.085 58.127 58.200 -0.264 0.000 0.824 181 S CB 1.006 64.094 63.200 -0.187 0.000 1.118 181 S HN 2.652 nan 8.310 nan 0.000 0.462 182 A N -0.009 122.728 122.820 -0.138 0.000 2.612 182 A HA 0.942 5.263 4.320 0.000 0.000 0.293 182 A C -0.553 177.076 177.584 0.074 0.000 1.075 182 A CA -0.332 51.614 52.037 -0.151 0.000 0.680 182 A CB 0.671 19.185 19.000 -0.810 0.000 1.279 182 A HN 2.577 nan 8.150 nan 0.000 0.411 183 c N -0.732 118.033 118.600 0.275 0.000 3.275 183 c HA 0.781 5.351 4.570 0.000 0.000 0.345 183 c C -0.904 173.430 174.090 0.406 0.000 1.257 183 c CA -0.783 55.792 56.329 0.410 0.000 1.203 183 c CB 0.391 43.056 42.510 0.258 0.000 1.492 183 c HN 1.358 nan 8.230 nan 0.000 0.484 184 H N 0.718 119.794 119.070 0.009 0.000 2.466 184 H HA 0.579 5.135 4.556 0.000 0.000 0.338 184 H C 0.399 175.655 175.328 -0.119 0.000 1.091 184 H CA 0.148 56.000 56.048 -0.325 0.000 1.207 184 H CB 1.447 30.600 29.762 -1.015 0.000 1.466 184 H HN 0.829 nan 8.280 nan 0.000 0.493 185 D N 2.767 123.050 120.400 -0.195 0.000 2.358 185 D HA 0.146 4.786 4.640 0.000 0.000 0.224 185 D C 1.389 177.676 176.300 -0.022 0.000 1.123 185 D CA 0.463 54.444 54.000 -0.030 0.000 0.833 185 D CB 0.120 40.931 40.800 0.018 0.000 0.946 185 D HN 0.884 nan 8.370 nan 0.000 0.505 186 G N -0.934 107.912 108.800 0.076 0.000 2.234 186 G HA2 -0.315 3.646 3.960 0.000 0.000 0.235 186 G HA3 -0.315 3.646 3.960 0.000 0.000 0.235 186 G C 1.081 175.873 174.900 -0.179 0.000 0.997 186 G CA 0.520 45.622 45.100 0.003 0.000 0.623 186 G HN 0.419 nan 8.290 nan 0.000 0.514 187 T N -0.436 113.973 114.554 -0.241 0.000 3.238 187 T HA 0.511 4.861 4.350 0.000 0.000 0.242 187 T C 0.838 175.335 174.700 -0.338 0.000 0.980 187 T CA 1.374 63.362 62.100 -0.188 0.000 1.235 187 T CB 0.397 69.231 68.868 -0.057 0.000 1.069 187 T HN 0.441 nan 8.240 nan 0.000 0.407 188 S N -0.591 114.687 115.700 -0.703 0.000 2.632 188 S HA 0.555 5.025 4.470 0.000 0.000 0.289 188 S C -1.772 172.226 174.600 -1.003 0.000 1.115 188 S CA -0.947 56.775 58.200 -0.797 0.000 0.889 188 S CB 1.412 64.094 63.200 -0.864 0.000 1.116 188 S HN 0.383 nan 8.310 nan 0.000 0.486 189 W N 1.638 122.657 121.300 -0.468 0.000 2.261 189 W HA 0.546 5.206 4.660 0.000 0.000 0.323 189 W C -0.279 176.089 176.519 -0.251 0.000 1.243 189 W CA -0.308 56.935 57.345 -0.170 0.000 1.210 189 W CB 0.582 30.097 29.460 0.092 0.000 1.149 189 W HN 0.376 nan 8.180 nan 0.000 0.562 190 L N 4.397 125.752 121.223 0.220 0.000 2.325 190 L HA 0.659 4.999 4.340 0.000 0.000 0.281 190 L C -0.065 176.878 176.870 0.121 0.000 1.004 190 L CA -0.219 54.716 54.840 0.157 0.000 0.823 190 L CB 1.148 43.317 42.059 0.183 0.000 1.236 190 L HN 0.375 nan 8.230 nan 0.000 0.415 191 T N 2.801 117.385 114.554 0.051 0.000 2.863 191 T HA 0.758 5.108 4.350 0.000 0.000 0.285 191 T C -0.328 174.341 174.700 -0.050 0.000 1.009 191 T CA -0.520 61.559 62.100 -0.035 0.000 0.989 191 T CB 1.270 70.094 68.868 -0.072 0.000 1.004 191 T HN 0.503 nan 8.240 nan 0.000 0.455 192 I N 2.036 122.558 120.570 -0.081 0.000 2.439 192 I HA 0.587 4.757 4.170 0.000 0.000 0.283 192 I C 0.440 176.479 176.117 -0.131 0.000 1.023 192 I CA -0.759 60.480 61.300 -0.102 0.000 1.100 192 I CB 1.779 39.718 38.000 -0.103 0.000 1.238 192 I HN 0.975 nan 8.210 nan 0.000 0.445 193 G N 6.985 115.691 108.800 -0.157 0.000 2.530 193 G HA2 0.793 4.753 3.960 0.000 0.000 0.316 193 G HA3 0.793 4.753 3.960 0.000 0.000 0.316 193 G C -0.918 173.817 174.900 -0.275 0.000 1.298 193 G CA -0.440 44.539 45.100 -0.203 0.000 0.948 193 G HN 0.442 nan 8.290 nan 0.000 0.486 194 I N 1.437 121.752 120.570 -0.425 0.000 2.404 194 I HA 0.576 4.746 4.170 0.000 0.000 0.293 194 I C 0.263 175.771 176.117 -1.014 0.000 0.992 194 I CA -0.412 60.511 61.300 -0.629 0.000 1.149 194 I CB 2.106 39.666 38.000 -0.733 0.000 1.315 194 I HN 0.504 nan 8.210 nan 0.000 0.446 195 S N 3.077 118.339 115.700 -0.730 0.000 2.776 195 S HA 0.964 5.434 4.470 0.000 0.000 0.292 195 S C -0.451 174.108 174.600 -0.068 0.000 1.187 195 S CA 0.178 58.037 58.200 -0.569 0.000 0.834 195 S CB 1.804 64.871 63.200 -0.221 0.000 1.199 195 S HN 1.195 nan 8.310 nan 0.000 0.514 196 G N 1.314 110.267 108.800 0.256 0.000 2.498 196 G HA2 0.041 4.001 3.960 0.000 0.000 0.651 196 G HA3 0.041 4.001 3.960 0.000 0.000 0.651 196 G C -3.350 171.759 174.900 0.350 0.000 1.284 196 G CA -0.415 44.826 45.100 0.235 0.000 0.950 196 G HN 0.681 nan 8.290 nan 0.000 0.511 197 P HA 0.360 nan 4.420 nan 0.000 0.279 197 P C -0.013 177.350 177.300 0.105 0.000 1.252 197 P CA -0.177 62.984 63.100 0.102 0.000 0.811 197 P CB 0.994 32.723 31.700 0.047 0.000 1.035 198 D N 1.045 121.438 120.400 -0.011 0.000 2.158 198 D HA -0.172 4.468 4.640 0.000 0.000 0.197 198 D C 1.243 177.542 176.300 -0.003 0.000 0.995 198 D CA 1.608 55.583 54.000 -0.043 0.000 0.846 198 D CB -0.637 40.092 40.800 -0.119 0.000 0.941 198 D HN 0.532 nan 8.370 nan 0.000 0.456 199 N N -0.399 118.298 118.700 -0.005 0.000 2.421 199 N HA 0.124 4.864 4.740 0.000 0.000 0.201 199 N C 0.608 176.122 175.510 0.006 0.000 1.198 199 N CA 0.420 53.464 53.050 -0.010 0.000 0.838 199 N CB 0.351 38.830 38.487 -0.014 0.000 1.011 199 N HN 0.099 nan 8.380 nan 0.000 0.463 200 G N -1.639 107.181 108.800 0.034 0.000 4.665 200 G HA2 0.392 4.352 3.960 0.000 0.000 0.227 200 G HA3 0.392 4.352 3.960 0.000 0.000 0.227 200 G C -0.241 174.698 174.900 0.064 0.000 2.385 200 G CA -0.197 44.925 45.100 0.037 0.000 0.869 200 G HN 0.509 nan 8.290 nan 0.000 0.344 201 A N -0.274 122.612 122.820 0.110 0.000 2.448 201 A HA 0.674 4.994 4.320 0.000 0.000 0.239 201 A C 0.289 177.880 177.584 0.011 0.000 1.080 201 A CA 0.280 52.394 52.037 0.129 0.000 0.779 201 A CB 1.373 20.540 19.000 0.279 0.000 1.026 201 A HN 1.523 nan 8.150 nan 0.000 0.499 202 V N 1.085 120.965 119.914 -0.056 0.000 2.577 202 V HA 0.650 4.770 4.120 0.000 0.000 0.303 202 V C 0.172 176.178 176.094 -0.147 0.000 1.042 202 V CA -0.045 62.211 62.300 -0.073 0.000 0.872 202 V CB 1.426 33.225 31.823 -0.040 0.000 0.998 202 V HN 1.556 nan 8.190 nan 0.000 0.423 203 A N 6.316 129.051 122.820 -0.143 0.000 2.309 203 A HA 0.674 4.994 4.320 0.000 0.000 0.290 203 A C -0.395 177.104 177.584 -0.142 0.000 1.206 203 A CA -0.277 51.652 52.037 -0.180 0.000 0.850 203 A CB 0.715 19.596 19.000 -0.197 0.000 1.118 203 A HN 1.051 nan 8.150 nan 0.000 0.523 204 V N 5.236 125.068 119.914 -0.136 0.000 2.364 204 V HA 0.219 4.339 4.120 0.000 0.000 0.272 204 V C 0.061 176.105 176.094 -0.083 0.000 1.036 204 V CA -0.166 62.079 62.300 -0.092 0.000 0.880 204 V CB 0.801 32.581 31.823 -0.072 0.000 0.991 204 V HN 0.724 nan 8.190 nan 0.000 0.460 205 L N 5.899 127.083 121.223 -0.066 0.000 2.292 205 L HA 0.570 4.910 4.340 0.000 0.000 0.284 205 L C 0.073 176.945 176.870 0.003 0.000 1.065 205 L CA -0.424 54.391 54.840 -0.042 0.000 0.806 205 L CB 0.978 43.008 42.059 -0.049 0.000 1.175 205 L HN 0.536 nan 8.230 nan 0.000 0.431 206 K N 3.255 123.672 120.400 0.028 0.000 2.324 206 K HA 0.416 4.737 4.320 0.000 0.000 0.253 206 K C -1.604 175.078 176.600 0.137 0.000 0.932 206 K CA -0.725 55.601 56.287 0.065 0.000 0.799 206 K CB 2.701 35.218 32.500 0.028 0.000 1.154 206 K HN 0.357 nan 8.250 nan 0.000 0.425 207 Y N 3.344 123.655 120.300 0.017 0.000 2.338 207 Y HA 0.142 4.692 4.550 0.000 0.000 0.328 207 Y C 0.098 176.026 175.900 0.048 0.000 0.965 207 Y CA -0.412 57.704 58.100 0.027 0.000 1.208 207 Y CB 0.833 39.291 38.460 -0.003 0.000 1.132 207 Y HN 0.783 nan 8.280 nan 0.000 0.469 208 N N 4.304 122.867 118.700 -0.229 0.000 2.758 208 N HA -0.199 4.541 4.740 0.000 0.000 0.248 208 N C 0.748 176.273 175.510 0.025 0.000 1.076 208 N CA 1.633 54.624 53.050 -0.097 0.000 0.696 208 N CB -1.172 37.252 38.487 -0.105 0.000 0.979 208 N HN 1.441 nan 8.380 nan 0.000 0.550 209 G N -0.654 108.169 108.800 0.039 0.000 2.234 209 G HA2 -0.315 3.645 3.960 0.000 0.000 0.260 209 G HA3 -0.315 3.645 3.960 0.000 0.000 0.260 209 G C 0.318 175.257 174.900 0.065 0.000 0.987 209 G CA 0.693 45.824 45.100 0.052 0.000 0.625 209 G HN 1.156 nan 8.290 nan 0.000 0.532 210 I N -0.305 120.310 120.570 0.076 0.000 2.404 210 I HA 0.702 4.872 4.170 0.000 0.000 0.293 210 I C 0.598 176.761 176.117 0.075 0.000 0.992 210 I CA -1.602 59.742 61.300 0.074 0.000 1.149 210 I CB 1.119 39.163 38.000 0.073 0.000 1.315 210 I HN 0.056 nan 8.210 nan 0.000 0.446 211 I N 6.033 126.635 120.570 0.053 0.000 2.826 211 I HA -0.061 4.109 4.170 0.000 0.000 0.295 211 I C 1.249 177.388 176.117 0.037 0.000 1.213 211 I CA 0.663 61.986 61.300 0.038 0.000 1.436 211 I CB 0.802 38.816 38.000 0.023 0.000 1.348 211 I HN 0.869 nan 8.210 nan 0.000 0.570 212 T N -0.448 114.125 114.554 0.031 0.000 2.975 212 T HA 0.251 4.601 4.350 0.000 0.000 0.261 212 T C 0.044 174.734 174.700 -0.017 0.000 0.984 212 T CA -0.267 61.839 62.100 0.011 0.000 0.911 212 T CB 0.495 69.374 68.868 0.018 0.000 1.127 212 T HN 0.627 nan 8.240 nan 0.000 0.514 213 D N -0.786 119.602 120.400 -0.020 0.000 2.764 213 D HA 0.473 5.113 4.640 0.000 0.000 0.293 213 D C -1.728 174.546 176.300 -0.043 0.000 1.287 213 D CA -0.135 53.844 54.000 -0.035 0.000 0.768 213 D CB 1.669 42.440 40.800 -0.049 0.000 1.288 213 D HN 0.003 nan 8.370 nan 0.000 0.426 214 T N 0.667 115.193 114.554 -0.046 0.000 2.903 214 T HA 0.730 5.081 4.350 0.000 0.000 0.299 214 T C -0.853 173.813 174.700 -0.058 0.000 1.093 214 T CA -0.454 61.614 62.100 -0.052 0.000 1.002 214 T CB 0.963 69.814 68.868 -0.030 0.000 1.127 214 T HN 0.270 nan 8.240 nan 0.000 0.488 215 I N 2.370 122.897 120.570 -0.071 0.000 2.534 215 I HA 0.400 4.570 4.170 0.000 0.000 0.286 215 I C -0.479 175.646 176.117 0.015 0.000 1.094 215 I CA -0.931 60.341 61.300 -0.046 0.000 1.055 215 I CB 2.124 40.011 38.000 -0.188 0.000 1.225 215 I HN 0.279 nan 8.210 nan 0.000 0.435 216 K N 3.031 123.479 120.400 0.080 0.000 2.118 216 K HA 0.362 4.682 4.320 0.000 0.000 0.267 216 K C 0.252 176.958 176.600 0.176 0.000 0.991 216 K CA -0.391 55.951 56.287 0.092 0.000 0.916 216 K CB 1.535 34.083 32.500 0.080 0.000 1.041 216 K HN 0.572 nan 8.250 nan 0.000 0.455 217 S N 1.885 117.633 115.700 0.079 0.000 2.563 217 S HA -0.056 4.414 4.470 0.000 0.000 0.294 217 S C 0.296 174.943 174.600 0.078 0.000 1.279 217 S CA -0.058 58.127 58.200 -0.025 0.000 1.069 217 S CB 0.151 63.305 63.200 -0.077 0.000 0.828 217 S HN 0.710 nan 8.310 nan 0.000 0.497 218 W N 5.094 126.412 121.300 0.031 0.000 3.127 218 W HA 0.547 5.207 4.660 0.000 0.000 0.344 218 W C 1.027 177.546 176.519 -0.000 0.000 1.151 218 W CA -0.680 56.675 57.345 0.017 0.000 1.765 218 W CB 0.258 29.731 29.460 0.022 0.000 1.085 218 W HN 0.492 nan 8.180 nan 0.000 0.596 219 R N 0.979 121.277 120.500 -0.335 0.000 2.531 219 R HA 0.057 4.397 4.340 0.000 0.000 0.316 219 R C 0.177 176.377 176.300 -0.166 0.000 0.955 219 R CA 0.080 56.035 56.100 -0.243 0.000 1.120 219 R CB -0.684 29.380 30.300 -0.394 0.000 1.361 219 R HN 0.120 nan 8.270 nan 0.000 0.534 220 N N 1.848 120.461 118.700 -0.144 0.000 2.696 220 N HA -0.227 4.513 4.740 0.000 0.000 0.249 220 N C -0.422 175.034 175.510 -0.089 0.000 1.090 220 N CA 1.050 54.051 53.050 -0.083 0.000 0.716 220 N CB -1.353 37.109 38.487 -0.041 0.000 1.020 220 N HN 0.246 nan 8.380 nan 0.000 0.548 221 N N 0.720 119.341 118.700 -0.133 0.000 2.752 221 N HA 0.300 5.040 4.740 0.000 0.000 0.260 221 N C -0.498 174.954 175.510 -0.097 0.000 1.562 221 N CA -0.428 52.558 53.050 -0.107 0.000 0.788 221 N CB -0.214 38.204 38.487 -0.116 0.000 1.192 221 N HN 0.277 nan 8.380 nan 0.000 0.503 222 I N 0.664 121.207 120.570 -0.044 0.000 7.533 222 I HA -0.317 3.853 4.170 0.000 0.000 0.126 222 I C -0.325 175.839 176.117 0.078 0.000 1.830 222 I CA -0.010 61.313 61.300 0.038 0.000 2.068 222 I CB -0.725 37.260 38.000 -0.024 0.000 3.648 222 I HN 0.326 nan 8.210 nan 0.000 0.179 223 L N 7.655 128.932 121.223 0.089 0.000 2.490 223 L HA 0.411 4.752 4.340 0.000 0.000 0.274 223 L C 0.767 177.714 176.870 0.129 0.000 1.201 223 L CA 0.719 55.545 54.840 -0.024 0.000 0.869 223 L CB 0.352 42.363 42.059 -0.080 0.000 1.123 223 L HN 0.551 nan 8.230 nan 0.000 0.484 224 R N 2.405 122.955 120.500 0.083 0.000 2.739 224 R HA 0.680 5.020 4.340 0.000 0.000 0.271 224 R C -0.902 175.458 176.300 0.101 0.000 1.010 224 R CA -0.776 55.409 56.100 0.140 0.000 0.897 224 R CB 1.398 31.830 30.300 0.220 0.000 1.236 224 R HN 0.578 nan 8.270 nan 0.000 0.466 225 T N -1.103 113.500 114.554 0.082 0.000 2.633 225 T HA 0.160 4.510 4.350 0.000 0.000 0.262 225 T C 0.806 175.551 174.700 0.074 0.000 0.920 225 T CA -0.392 61.752 62.100 0.073 0.000 1.062 225 T CB 1.481 70.355 68.868 0.011 0.000 1.390 225 T HN 0.665 nan 8.240 nan 0.000 0.549 226 Q N 0.174 119.998 119.800 0.041 0.000 2.077 226 Q HA -0.111 4.229 4.340 0.000 0.000 0.206 226 Q C -0.103 175.908 176.000 0.018 0.000 0.989 226 Q CA 1.696 57.514 55.803 0.025 0.000 0.853 226 Q CB -0.055 28.673 28.738 -0.016 0.000 0.907 226 Q HN 0.640 nan 8.270 nan 0.000 0.418 227 E N -0.556 119.602 120.200 -0.070 0.000 2.957 227 E HA -0.143 4.207 4.350 0.000 0.000 0.287 227 E C -0.558 175.930 176.600 -0.187 0.000 0.976 227 E CA 1.150 57.556 56.400 0.009 0.000 0.907 227 E CB -2.116 27.758 29.700 0.290 0.000 1.456 227 E HN 0.451 nan 8.360 nan 0.000 0.421 228 S N -1.623 113.672 115.700 -0.675 0.000 2.636 228 S HA 0.394 4.864 4.470 0.000 0.000 0.268 228 S C -0.530 173.621 174.600 -0.749 0.000 1.159 228 S CA -0.555 57.241 58.200 -0.673 0.000 0.815 228 S CB 2.232 65.570 63.200 0.229 0.000 1.130 228 S HN 0.187 nan 8.310 nan 0.000 0.471 229 E N 0.353 120.460 120.200 -0.156 0.000 2.502 229 E HA 0.217 4.567 4.350 0.000 0.000 0.261 229 E C 0.180 176.849 176.600 0.116 0.000 0.974 229 E CA -0.234 56.235 56.400 0.115 0.000 0.936 229 E CB 0.037 29.987 29.700 0.416 0.000 0.926 229 E HN 0.739 nan 8.360 nan 0.000 0.459 230 c N 2.486 121.162 118.600 0.127 0.000 2.347 230 c HA 0.835 5.405 4.570 0.000 0.000 0.366 230 c C 0.382 174.616 174.090 0.239 0.000 1.241 230 c CA -0.825 55.606 56.329 0.169 0.000 2.360 230 c CB 0.333 42.929 42.510 0.144 0.000 2.290 230 c HN 0.744 nan 8.230 nan 0.000 0.587 231 A N 0.068 123.055 122.820 0.279 0.000 2.288 231 A HA 0.666 4.986 4.320 0.000 0.000 0.320 231 A C -0.426 177.376 177.584 0.364 0.000 1.217 231 A CA -0.276 51.937 52.037 0.293 0.000 0.840 231 A CB 0.076 19.209 19.000 0.222 0.000 1.179 231 A HN 1.035 nan 8.150 nan 0.000 0.504 232 c N 1.747 120.519 118.600 0.287 0.000 2.411 232 c HA 0.817 5.387 4.570 0.000 0.000 0.330 232 c C -0.095 174.147 174.090 0.254 0.000 1.224 232 c CA -0.478 56.011 56.329 0.267 0.000 1.770 232 c CB 0.858 43.470 42.510 0.170 0.000 2.297 232 c HN 0.671 nan 8.230 nan 0.000 0.507 233 V N 2.736 122.825 119.914 0.292 0.000 2.777 233 V HA 0.447 4.567 4.120 0.000 0.000 0.306 233 V C 0.114 176.320 176.094 0.185 0.000 1.112 233 V CA -0.506 61.929 62.300 0.224 0.000 0.917 233 V CB 1.821 33.779 31.823 0.225 0.000 1.018 233 V HN 0.959 nan 8.190 nan 0.000 0.426 234 N N 3.006 121.776 118.700 0.116 0.000 2.686 234 N HA -0.209 4.531 4.740 0.000 0.000 0.249 234 N C 0.936 176.485 175.510 0.066 0.000 1.082 234 N CA 2.061 55.161 53.050 0.083 0.000 0.725 234 N CB -0.927 37.612 38.487 0.086 0.000 1.009 234 N HN 2.083 nan 8.380 nan 0.000 0.545 235 G N -2.875 105.960 108.800 0.058 0.000 2.132 235 G HA2 -0.195 3.765 3.960 0.000 0.000 0.234 235 G HA3 -0.195 3.765 3.960 0.000 0.000 0.234 235 G C -0.142 174.753 174.900 -0.008 0.000 0.989 235 G CA 0.349 45.463 45.100 0.022 0.000 0.676 235 G HN 0.802 nan 8.290 nan 0.000 0.522 236 S N -1.225 114.477 115.700 0.003 0.000 2.548 236 S HA 0.750 5.220 4.470 0.000 0.000 0.286 236 S C -0.179 174.308 174.600 -0.190 0.000 1.098 236 S CA -0.332 57.778 58.200 -0.150 0.000 0.930 236 S CB 2.510 65.601 63.200 -0.182 0.000 1.070 236 S HN 0.666 nan 8.310 nan 0.000 0.480 237 c N 2.195 120.578 118.600 -0.361 0.000 2.614 237 c HA 0.824 5.394 4.570 0.000 0.000 0.320 237 c C -1.063 172.760 174.090 -0.446 0.000 1.200 237 c CA -0.804 55.422 56.329 -0.171 0.000 1.700 237 c CB 0.284 42.799 42.510 0.007 0.000 2.275 237 c HN 0.817 nan 8.230 nan 0.000 0.492 238 F N 0.459 120.517 119.950 0.179 0.000 2.563 238 F HA 0.740 5.267 4.527 0.000 0.000 0.316 238 F C 0.408 176.340 175.800 0.220 0.000 1.076 238 F CA -0.467 57.670 58.000 0.228 0.000 0.921 238 F CB 1.964 41.210 39.000 0.410 0.000 1.209 238 F HN 0.504 nan 8.300 nan 0.000 0.462 239 T N 0.992 115.773 114.554 0.378 0.000 2.843 239 T HA 0.754 5.104 4.350 0.000 0.000 0.302 239 T C -1.975 172.906 174.700 0.302 0.000 1.232 239 T CA -0.533 61.738 62.100 0.285 0.000 1.009 239 T CB 1.617 70.582 68.868 0.163 0.000 1.254 239 T HN 0.367 nan 8.240 nan 0.000 0.504 240 V N 4.093 124.154 119.914 0.245 0.000 2.483 240 V HA 0.583 4.703 4.120 0.000 0.000 0.297 240 V C -0.278 175.970 176.094 0.256 0.000 1.027 240 V CA -0.684 61.750 62.300 0.223 0.000 0.855 240 V CB 1.484 33.390 31.823 0.139 0.000 0.995 240 V HN 0.823 nan 8.190 nan 0.000 0.424 241 M N 2.931 122.765 119.600 0.389 0.000 2.598 241 M HA 0.621 5.101 4.480 0.000 0.000 0.317 241 M C -0.434 176.119 176.300 0.422 0.000 1.179 241 M CA -0.393 55.140 55.300 0.388 0.000 0.936 241 M CB 2.481 35.374 32.600 0.488 0.000 1.713 241 M HN 0.515 nan 8.290 nan 0.000 0.460 242 T N 0.494 115.204 114.554 0.260 0.000 2.887 242 T HA 0.506 4.856 4.350 0.000 0.000 0.288 242 T C -1.444 173.204 174.700 -0.086 0.000 1.021 242 T CA -0.541 61.679 62.100 0.201 0.000 1.000 242 T CB 1.766 70.771 68.868 0.228 0.000 1.034 242 T HN 0.550 nan 8.240 nan 0.000 0.467 243 D N 0.173 120.406 120.400 -0.278 0.000 2.990 243 D HA 0.643 5.283 4.640 0.000 0.000 0.227 243 D C -0.059 176.030 176.300 -0.352 0.000 1.249 243 D CA 0.377 54.071 54.000 -0.509 0.000 0.891 243 D CB 1.679 41.712 40.800 -1.278 0.000 1.647 243 D HN 0.949 nan 8.370 nan 0.000 0.530 244 G N 2.705 111.366 108.800 -0.233 0.000 2.334 244 G HA2 0.092 4.052 3.960 0.000 0.000 0.315 244 G HA3 0.092 4.052 3.960 0.000 0.000 0.315 244 G C -2.979 171.867 174.900 -0.090 0.000 1.284 244 G CA -0.778 44.219 45.100 -0.170 0.000 0.985 244 G HN 0.392 nan 8.290 nan 0.000 0.504 245 P HA 0.258 nan 4.420 nan 0.000 0.272 245 P C 0.749 178.077 177.300 0.047 0.000 1.223 245 P CA 0.613 63.675 63.100 -0.064 0.000 0.784 245 P CB 1.400 33.013 31.700 -0.144 0.000 0.923 246 S N 0.361 116.098 115.700 0.061 0.000 2.634 246 S HA 0.101 4.572 4.470 0.000 0.000 0.221 246 S C 0.661 175.241 174.600 -0.033 0.000 0.952 246 S CA -0.258 58.051 58.200 0.183 0.000 0.930 246 S CB -0.663 62.639 63.200 0.170 0.000 0.780 246 S HN 0.321 nan 8.310 nan 0.000 0.498 247 N N 1.775 120.341 118.700 -0.222 0.000 2.191 247 N HA 0.386 5.126 4.740 0.000 0.000 0.183 247 N C 1.044 175.828 175.510 -1.209 0.000 1.474 247 N CA 0.071 52.878 53.050 -0.404 0.000 1.043 247 N CB -1.116 37.244 38.487 -0.212 0.000 1.332 247 N HN 0.340 nan 8.380 nan 0.000 0.321 248 G N 1.110 109.154 108.800 -1.260 0.000 2.883 248 G HA2 -0.145 3.815 3.960 0.000 0.000 0.309 248 G HA3 -0.145 3.815 3.960 0.000 0.000 0.309 248 G C 0.181 174.012 174.900 -1.783 0.000 1.278 248 G CA 0.024 43.973 45.100 -1.919 0.000 1.103 248 G HN 0.262 nan 8.290 nan 0.000 0.676 249 Q N -0.862 118.072 119.800 -1.444 0.000 2.394 249 Q HA 0.276 4.616 4.340 0.000 0.000 0.347 249 Q C 0.517 176.346 176.000 -0.285 0.000 1.144 249 Q CA 1.143 56.623 55.803 -0.537 0.000 1.050 249 Q CB 0.620 29.269 28.738 -0.147 0.000 1.188 249 Q HN 0.800 nan 8.270 nan 0.000 0.406 250 A N 1.967 124.715 122.820 -0.120 0.000 2.524 250 A HA 0.641 4.961 4.320 0.000 0.000 0.286 250 A C -0.906 176.238 177.584 -0.733 0.000 1.203 250 A CA -0.380 51.486 52.037 -0.284 0.000 0.736 250 A CB 1.847 20.797 19.000 -0.084 0.000 1.322 250 A HN 0.562 nan 8.150 nan 0.000 0.424 251 S N -0.952 114.365 115.700 -0.638 0.000 2.509 251 S HA 0.751 5.222 4.470 0.000 0.000 0.297 251 S C -1.644 172.628 174.600 -0.546 0.000 1.118 251 S CA -0.280 57.626 58.200 -0.490 0.000 1.074 251 S CB 0.216 63.484 63.200 0.113 0.000 1.038 251 S HN 0.459 nan 8.310 nan 0.000 0.498 252 Y N 2.402 122.832 120.300 0.216 0.000 2.373 252 Y HA 0.563 5.114 4.550 0.000 0.000 0.336 252 Y C 0.065 175.935 175.900 -0.051 0.000 0.979 252 Y CA -1.013 57.158 58.100 0.119 0.000 1.080 252 Y CB 1.668 40.112 38.460 -0.027 0.000 1.190 252 Y HN 0.415 nan 8.280 nan 0.000 0.446 253 K N 3.815 124.260 120.400 0.076 0.000 2.426 253 K HA 0.687 5.007 4.320 0.000 0.000 0.251 253 K C -1.354 175.000 176.600 -0.410 0.000 0.941 253 K CA -0.821 55.243 56.287 -0.372 0.000 0.808 253 K CB 2.980 34.991 32.500 -0.815 0.000 1.265 253 K HN 0.570 nan 8.250 nan 0.000 0.432 254 I N 2.142 122.327 120.570 -0.642 0.000 2.460 254 I HA 0.430 4.601 4.170 0.000 0.000 0.298 254 I C -0.845 174.894 176.117 -0.630 0.000 0.989 254 I CA -0.781 60.203 61.300 -0.526 0.000 1.173 254 I CB 0.805 38.327 38.000 -0.798 0.000 1.338 254 I HN 0.351 nan 8.210 nan 0.000 0.456 255 F N 3.872 123.743 119.950 -0.131 0.000 2.546 255 F HA 0.521 5.048 4.527 0.000 0.000 0.320 255 F C -0.022 175.738 175.800 -0.067 0.000 1.076 255 F CA -0.824 57.116 58.000 -0.099 0.000 0.928 255 F CB 1.828 40.783 39.000 -0.075 0.000 1.189 255 F HN 0.258 nan 8.300 nan 0.000 0.465 256 K N 4.912 125.336 120.400 0.041 0.000 2.413 256 K HA 0.656 4.976 4.320 0.000 0.000 0.257 256 K C -1.262 175.215 176.600 -0.205 0.000 0.946 256 K CA -0.631 55.504 56.287 -0.253 0.000 0.823 256 K CB 1.032 33.442 32.500 -0.150 0.000 1.109 256 K HN 0.779 nan 8.250 nan 0.000 0.427 257 M N 1.702 121.133 119.600 -0.282 0.000 2.591 257 M HA 0.514 4.994 4.480 0.000 0.000 0.306 257 M C -1.248 174.931 176.300 -0.201 0.000 1.190 257 M CA -0.767 54.427 55.300 -0.177 0.000 0.889 257 M CB 2.076 34.611 32.600 -0.108 0.000 1.728 257 M HN 0.459 nan 8.290 nan 0.000 0.458 258 E N 1.158 121.252 120.200 -0.177 0.000 2.244 258 E HA 0.364 4.714 4.350 0.000 0.000 0.260 258 E C -1.243 175.175 176.600 -0.304 0.000 0.884 258 E CA -0.690 55.590 56.400 -0.199 0.000 0.777 258 E CB 1.824 31.431 29.700 -0.155 0.000 1.197 258 E HN 0.717 nan 8.360 nan 0.000 0.416 259 K N 1.472 121.566 120.400 -0.510 0.000 3.125 259 K HA -0.248 4.072 4.320 0.000 0.000 0.268 259 K C 0.603 176.735 176.600 -0.780 0.000 1.078 259 K CA 0.509 56.075 56.287 -1.202 0.000 0.775 259 K CB -1.539 30.488 32.500 -0.789 0.000 1.253 259 K HN 1.097 nan 8.250 nan 0.000 0.486 260 G N 0.543 109.167 108.800 -0.293 0.000 2.155 260 G HA2 -0.386 3.574 3.960 0.000 0.000 0.257 260 G HA3 -0.386 3.574 3.960 0.000 0.000 0.257 260 G C -0.086 174.766 174.900 -0.081 0.000 0.983 260 G CA 1.007 46.086 45.100 -0.034 0.000 0.676 260 G HN 0.429 nan 8.290 nan 0.000 0.528 261 K N 0.551 120.872 120.400 -0.131 0.000 2.274 261 K HA 0.589 4.909 4.320 0.000 0.000 0.262 261 K C 0.468 177.018 176.600 -0.083 0.000 0.961 261 K CA -0.853 55.375 56.287 -0.098 0.000 0.833 261 K CB 1.538 33.975 32.500 -0.104 0.000 1.102 261 K HN 0.012 nan 8.250 nan 0.000 0.436 262 V N 5.433 125.314 119.914 -0.054 0.000 2.540 262 V HA -0.046 4.075 4.120 0.000 0.000 0.297 262 V C 1.123 177.202 176.094 -0.024 0.000 1.024 262 V CA 0.167 62.457 62.300 -0.017 0.000 1.105 262 V CB 0.832 32.680 31.823 0.041 0.000 0.938 262 V HN 0.763 nan 8.190 nan 0.000 0.482 263 V N 1.615 121.507 119.914 -0.036 0.000 3.605 263 V HA 0.495 4.615 4.120 0.000 0.000 0.284 263 V C 0.302 176.379 176.094 -0.029 0.000 1.386 263 V CA 0.302 62.578 62.300 -0.040 0.000 1.053 263 V CB -0.268 31.522 31.823 -0.056 0.000 0.857 263 V HN 0.834 nan 8.190 nan 0.000 0.436 264 K N 0.759 121.146 120.400 -0.022 0.000 2.636 264 K HA 0.535 4.856 4.320 0.000 0.000 0.268 264 K C -1.206 175.346 176.600 -0.080 0.000 0.958 264 K CA 0.455 56.715 56.287 -0.043 0.000 0.875 264 K CB 1.990 34.471 32.500 -0.032 0.000 1.382 264 K HN 0.465 nan 8.250 nan 0.000 0.405 265 S N 1.108 116.700 115.700 -0.179 0.000 2.595 265 S HA 0.839 5.309 4.470 0.000 0.000 0.281 265 S C -1.408 172.942 174.600 -0.415 0.000 1.117 265 S CA -0.645 57.300 58.200 -0.426 0.000 0.873 265 S CB 2.152 64.979 63.200 -0.620 0.000 1.108 265 S HN 0.298 nan 8.310 nan 0.000 0.477 266 V N 1.409 120.999 119.914 -0.540 0.000 2.777 266 V HA 0.494 4.614 4.120 0.000 0.000 0.306 266 V C -0.674 175.126 176.094 -0.489 0.000 1.112 266 V CA -0.639 61.420 62.300 -0.402 0.000 0.917 266 V CB 1.799 33.465 31.823 -0.262 0.000 1.018 266 V HN 1.057 nan 8.190 nan 0.000 0.426 267 E N 4.032 124.004 120.200 -0.381 0.000 2.283 267 E HA 0.534 4.884 4.350 0.000 0.000 0.278 267 E C -0.982 175.448 176.600 -0.285 0.000 1.027 267 E CA -0.547 55.645 56.400 -0.346 0.000 0.843 267 E CB 1.123 30.659 29.700 -0.274 0.000 1.062 267 E HN 0.593 nan 8.360 nan 0.000 0.401 268 L N 3.587 124.618 121.223 -0.320 0.000 2.380 268 L HA 0.150 4.491 4.340 0.000 0.000 0.273 268 L C 0.173 177.020 176.870 -0.038 0.000 1.138 268 L CA -0.254 54.360 54.840 -0.377 0.000 0.832 268 L CB 0.680 42.480 42.059 -0.432 0.000 1.124 268 L HN 0.645 nan 8.230 nan 0.000 0.454 269 D N 2.987 123.449 120.400 0.105 0.000 2.564 269 D HA 0.303 4.943 4.640 0.000 0.000 0.226 269 D C 0.019 176.393 176.300 0.123 0.000 1.149 269 D CA -0.151 53.927 54.000 0.130 0.000 0.994 269 D CB 0.646 41.532 40.800 0.143 0.000 1.029 269 D HN 0.512 nan 8.370 nan 0.000 0.517 270 A N 3.996 126.916 122.820 0.166 0.000 3.257 270 A HA 0.360 4.681 4.320 0.000 0.000 0.308 270 A C -2.354 175.509 177.584 0.465 0.000 1.175 270 A CA -1.183 50.961 52.037 0.177 0.000 1.018 270 A CB 0.065 19.157 19.000 0.153 0.000 1.088 270 A HN 0.316 nan 8.150 nan 0.000 0.567 271 P HA 0.035 nan 4.420 nan 0.000 0.268 271 P C 0.199 177.812 177.300 0.522 0.000 1.204 271 P CA 0.594 63.936 63.100 0.404 0.000 0.768 271 P CB 0.758 32.617 31.700 0.266 0.000 0.842 272 N N 0.247 119.290 118.700 0.572 0.000 2.965 272 N HA -0.198 4.542 4.740 0.000 0.000 0.232 272 N C -1.034 174.759 175.510 0.472 0.000 0.913 272 N CA 1.199 54.536 53.050 0.479 0.000 0.981 272 N CB -1.898 36.687 38.487 0.163 0.000 1.077 272 N HN 0.379 nan 8.380 nan 0.000 0.589 273 Y N 0.219 120.822 120.300 0.506 0.000 2.519 273 Y HA 0.601 5.151 4.550 0.000 0.000 0.324 273 Y C 0.718 176.906 175.900 0.479 0.000 1.214 273 Y CA -0.326 58.012 58.100 0.396 0.000 1.260 273 Y CB 1.210 39.800 38.460 0.217 0.000 1.311 273 Y HN 0.085 nan 8.280 nan 0.000 0.505 274 H N 1.564 120.714 119.070 0.133 0.000 3.181 274 H HA 0.274 4.830 4.556 0.000 0.000 0.331 274 H C -2.013 173.070 175.328 -0.408 0.000 0.988 274 H CA -0.558 55.526 56.048 0.060 0.000 1.449 274 H CB 0.723 30.705 29.762 0.368 0.000 1.749 274 H HN 0.668 nan 8.280 nan 0.000 0.501 275 Y N 2.693 122.475 120.300 -0.863 0.000 2.377 275 Y HA 0.417 4.967 4.550 0.000 0.000 0.339 275 Y C 0.156 175.882 175.900 -0.291 0.000 1.011 275 Y CA -0.423 57.366 58.100 -0.518 0.000 1.093 275 Y CB 1.888 40.012 38.460 -0.559 0.000 1.201 275 Y HN 0.534 nan 8.280 nan 0.000 0.455 276 E N 1.137 121.343 120.200 0.010 0.000 2.375 276 E HA 0.187 4.537 4.350 0.000 0.000 0.280 276 E C -1.353 175.283 176.600 0.061 0.000 0.972 276 E CA -1.024 55.405 56.400 0.048 0.000 0.782 276 E CB 1.910 31.636 29.700 0.044 0.000 1.229 276 E HN 0.684 nan 8.360 nan 0.000 0.439 277 E N 0.248 120.496 120.200 0.079 0.000 2.160 277 E HA -0.239 4.111 4.350 0.000 0.000 0.180 277 E C -0.802 175.837 176.600 0.064 0.000 1.452 277 E CA 0.162 56.600 56.400 0.064 0.000 0.683 277 E CB -1.548 28.152 29.700 -0.001 0.000 1.072 277 E HN 0.299 nan 8.360 nan 0.000 0.332 278 c N 1.729 120.389 118.600 0.100 0.000 2.593 278 c HA 0.201 4.771 4.570 0.000 0.000 0.409 278 c C 1.124 175.289 174.090 0.124 0.000 1.304 278 c CA -0.308 56.095 56.329 0.123 0.000 2.007 278 c CB 0.587 43.188 42.510 0.151 0.000 2.614 278 c HN 0.432 nan 8.230 nan 0.000 0.585 279 S N 2.320 118.104 115.700 0.140 0.000 2.420 279 S HA 0.417 4.887 4.470 0.000 0.000 0.313 279 S C -0.212 174.502 174.600 0.190 0.000 1.079 279 S CA -0.450 57.850 58.200 0.167 0.000 1.104 279 S CB 0.260 63.561 63.200 0.170 0.000 0.969 279 S HN 0.843 nan 8.310 nan 0.000 0.471 280 c N 3.117 121.833 118.600 0.192 0.000 2.486 280 c HA 0.932 5.502 4.570 0.000 0.000 0.348 280 c C -0.688 173.552 174.090 0.249 0.000 1.203 280 c CA -0.949 55.456 56.329 0.128 0.000 1.911 280 c CB 0.406 42.977 42.510 0.102 0.000 2.340 280 c HN 0.941 nan 8.230 nan 0.000 0.511 281 Y N -0.927 119.416 120.300 0.072 0.000 2.565 281 Y HA 0.657 5.207 4.550 0.000 0.000 0.330 281 Y C -3.285 172.632 175.900 0.029 0.000 1.150 281 Y CA -2.371 55.795 58.100 0.111 0.000 1.055 281 Y CB 0.550 39.132 38.460 0.203 0.000 1.337 281 Y HN 0.471 nan 8.280 nan 0.000 0.457 282 P HA 0.300 nan 4.420 nan 0.000 0.282 282 P C -1.264 176.121 177.300 0.141 0.000 1.249 282 P CA -0.217 62.924 63.100 0.069 0.000 0.806 282 P CB 1.802 33.567 31.700 0.109 0.000 0.984 283 N N 1.348 120.057 118.700 0.015 0.000 2.578 283 N HA 0.321 5.061 4.740 0.000 0.000 0.282 283 N C -0.814 174.671 175.510 -0.042 0.000 1.119 283 N CA 0.020 53.083 53.050 0.022 0.000 0.948 283 N CB 1.015 39.527 38.487 0.042 0.000 1.546 283 N HN 0.536 nan 8.380 nan 0.000 0.525 284 A N 2.446 125.252 122.820 -0.024 0.000 2.466 284 A HA 0.057 4.377 4.320 0.000 0.000 0.295 284 A C 1.493 179.054 177.584 -0.038 0.000 1.465 284 A CA 2.051 54.070 52.037 -0.030 0.000 0.744 284 A CB -2.102 16.872 19.000 -0.044 0.000 1.098 284 A HN 2.104 nan 8.150 nan 0.000 0.402 285 G N -1.439 107.347 108.800 -0.023 0.000 2.186 285 G HA2 -0.277 3.683 3.960 0.000 0.000 0.266 285 G HA3 -0.277 3.683 3.960 0.000 0.000 0.266 285 G C -0.050 174.802 174.900 -0.080 0.000 0.982 285 G CA 1.254 46.340 45.100 -0.022 0.000 0.670 285 G HN 1.361 nan 8.290 nan 0.000 0.533 286 E N -1.038 119.079 120.200 -0.138 0.000 2.336 286 E HA 0.681 5.031 4.350 0.000 0.000 0.267 286 E C -0.827 175.545 176.600 -0.380 0.000 0.906 286 E CA -1.147 55.100 56.400 -0.255 0.000 0.781 286 E CB 1.712 31.285 29.700 -0.211 0.000 1.261 286 E HN 0.106 nan 8.360 nan 0.000 0.436 287 I N 0.750 120.920 120.570 -0.666 0.000 2.525 287 I HA 0.286 4.456 4.170 0.000 0.000 0.301 287 I C -0.107 175.507 176.117 -0.838 0.000 0.992 287 I CA -0.218 60.605 61.300 -0.796 0.000 1.162 287 I CB 1.933 39.284 38.000 -1.081 0.000 1.332 287 I HN 0.327 nan 8.210 nan 0.000 0.458 288 T N 3.758 117.824 114.554 -0.812 0.000 2.848 288 T HA 0.532 4.882 4.350 0.000 0.000 0.285 288 T C -1.074 173.315 174.700 -0.519 0.000 0.995 288 T CA -0.420 61.274 62.100 -0.678 0.000 0.970 288 T CB 0.951 69.313 68.868 -0.843 0.000 0.976 288 T HN 0.538 nan 8.240 nan 0.000 0.441 289 c N 2.832 121.369 118.600 -0.104 0.000 2.498 289 c HA 0.792 5.362 4.570 0.000 0.000 0.316 289 c C -0.062 174.173 174.090 0.241 0.000 1.209 289 c CA -0.809 55.563 56.329 0.072 0.000 1.518 289 c CB 0.990 43.581 42.510 0.136 0.000 2.147 289 c HN 0.710 nan 8.230 nan 0.000 0.483 290 V N 2.533 122.582 119.914 0.224 0.000 2.409 290 V HA 0.559 4.679 4.120 0.000 0.000 0.291 290 V C 0.095 176.275 176.094 0.144 0.000 1.020 290 V CA -0.101 62.331 62.300 0.219 0.000 0.848 290 V CB 1.035 32.977 31.823 0.199 0.000 0.990 290 V HN 1.171 nan 8.190 nan 0.000 0.430 291 c N 3.472 122.131 118.600 0.098 0.000 3.188 291 c HA 0.726 5.296 4.570 0.000 0.000 0.379 291 c C 0.159 174.230 174.090 -0.032 0.000 2.263 291 c CA -1.047 55.316 56.329 0.057 0.000 1.616 291 c CB 1.543 44.139 42.510 0.142 0.000 2.632 291 c HN 0.886 nan 8.230 nan 0.000 0.488 292 R N 1.292 121.771 120.500 -0.035 0.000 2.393 292 R HA 0.386 4.726 4.340 0.000 0.000 0.315 292 R C -1.598 174.704 176.300 0.004 0.000 0.952 292 R CA -0.004 56.072 56.100 -0.041 0.000 0.842 292 R CB 0.769 31.036 30.300 -0.055 0.000 1.163 292 R HN 0.830 nan 8.270 nan 0.000 0.450 293 D N 3.442 123.867 120.400 0.041 0.000 2.443 293 D HA 0.057 4.697 4.640 0.000 0.000 0.221 293 D C -0.284 176.154 176.300 0.231 0.000 1.097 293 D CA -0.205 53.919 54.000 0.207 0.000 0.865 293 D CB 1.170 42.090 40.800 0.200 0.000 1.034 293 D HN 0.642 nan 8.370 nan 0.000 0.511 294 N N 3.221 122.150 118.700 0.382 0.000 2.336 294 N HA 0.022 4.762 4.740 0.000 0.000 0.189 294 N C 0.876 176.449 175.510 0.105 0.000 1.113 294 N CA -0.069 53.103 53.050 0.204 0.000 0.858 294 N CB 0.151 38.797 38.487 0.264 0.000 0.970 294 N HN 0.478 nan 8.380 nan 0.000 0.471 295 W N 0.987 122.062 121.300 -0.375 0.000 2.619 295 W HA 0.057 4.718 4.660 0.000 0.000 0.309 295 W C 0.436 176.834 176.519 -0.202 0.000 1.126 295 W CA 1.833 58.850 57.345 -0.548 0.000 1.472 295 W CB -0.600 28.213 29.460 -1.078 0.000 1.164 295 W HN 0.325 nan 8.180 nan 0.000 0.503 296 H N -1.841 117.078 119.070 -0.251 0.000 3.038 296 H HA 0.515 5.071 4.556 0.000 0.000 0.238 296 H C -0.221 174.910 175.328 -0.330 0.000 1.246 296 H CA -0.868 54.933 56.048 -0.411 0.000 0.966 296 H CB -0.535 28.718 29.762 -0.847 0.000 2.394 296 H HN 0.065 nan 8.280 nan 0.000 0.633 297 G N -0.636 108.189 108.800 0.042 0.000 2.566 297 G HA2 0.434 4.394 3.960 0.000 0.000 0.311 297 G HA3 0.434 4.394 3.960 0.000 0.000 0.311 297 G C -0.052 174.823 174.900 -0.043 0.000 1.322 297 G CA -0.547 44.522 45.100 -0.052 0.000 0.969 297 G HN 0.143 nan 8.290 nan 0.000 0.490 298 S N 0.336 115.952 115.700 -0.140 0.000 2.492 298 S HA 0.050 4.520 4.470 0.000 0.000 0.218 298 S C 1.151 175.734 174.600 -0.027 0.000 1.016 298 S CA -0.149 57.951 58.200 -0.167 0.000 0.916 298 S CB -0.082 62.844 63.200 -0.457 0.000 0.791 298 S HN 0.807 nan 8.310 nan 0.000 0.513 299 N N 1.459 120.193 118.700 0.057 0.000 2.458 299 N HA 0.255 4.995 4.740 0.000 0.000 0.271 299 N C -0.585 175.006 175.510 0.135 0.000 1.210 299 N CA -0.487 52.665 53.050 0.170 0.000 0.978 299 N CB 0.516 39.138 38.487 0.225 0.000 1.206 299 N HN 0.015 nan 8.380 nan 0.000 0.536 300 R N -0.113 120.410 120.500 0.039 0.000 2.428 300 R HA 0.449 4.789 4.340 0.000 0.000 0.294 300 R C -2.158 173.959 176.300 -0.306 0.000 1.000 300 R CA -1.532 54.512 56.100 -0.092 0.000 0.960 300 R CB 1.435 31.695 30.300 -0.068 0.000 1.076 300 R HN 0.544 nan 8.270 nan 0.000 0.475 301 P HA 0.215 nan 4.420 nan 0.000 0.284 301 P C -0.946 176.185 177.300 -0.283 0.000 1.258 301 P CA -0.362 62.058 63.100 -1.133 0.000 0.824 301 P CB 0.978 31.754 31.700 -1.540 0.000 1.038 302 W N 0.655 121.885 121.300 -0.118 0.000 3.029 302 W HA 0.668 5.328 4.660 0.000 0.000 0.339 302 W C -2.298 174.401 176.519 0.300 0.000 1.198 302 W CA -1.259 56.174 57.345 0.146 0.000 1.148 302 W CB 0.927 30.445 29.460 0.097 0.000 1.451 302 W HN 0.011 nan 8.180 nan 0.000 0.564 303 V N 1.924 122.238 119.914 0.666 0.000 2.808 303 V HA 0.524 4.644 4.120 0.000 0.000 0.308 303 V C -0.392 175.989 176.094 0.478 0.000 1.099 303 V CA -0.789 61.783 62.300 0.454 0.000 0.920 303 V CB 1.483 33.356 31.823 0.083 0.000 1.014 303 V HN 0.672 nan 8.190 nan 0.000 0.425 304 S N 3.380 119.371 115.700 0.484 0.000 2.547 304 S HA 0.973 5.443 4.470 0.000 0.000 0.281 304 S C -1.060 173.645 174.600 0.176 0.000 1.118 304 S CA -0.686 57.573 58.200 0.099 0.000 0.947 304 S CB 2.132 65.375 63.200 0.072 0.000 1.053 304 S HN 1.257 nan 8.310 nan 0.000 0.482 305 F N -0.302 119.644 119.950 -0.007 0.000 2.668 305 F HA 0.758 5.285 4.527 0.000 0.000 0.309 305 F C -0.689 175.025 175.800 -0.144 0.000 1.117 305 F CA -1.139 56.847 58.000 -0.023 0.000 0.951 305 F CB 0.549 39.549 39.000 -0.000 0.000 1.323 305 F HN 0.646 nan 8.300 nan 0.000 0.451 309 N N 0.846 119.642 118.700 0.161 0.000 2.275 309 N HA 0.153 4.893 4.740 0.000 0.000 0.236 309 N C -0.191 175.378 175.510 0.099 0.000 1.154 309 N CA 0.193 53.317 53.050 0.123 0.000 0.866 309 N CB 0.925 39.457 38.487 0.074 0.000 1.093 309 N HN 0.063 nan 8.380 nan 0.000 0.515 310 L N 0.463 121.758 121.223 0.120 0.000 4.179 310 L HA -0.261 4.079 4.340 0.000 0.000 0.418 310 L C -0.123 176.825 176.870 0.131 0.000 1.168 310 L CA 0.970 55.822 54.840 0.020 0.000 0.972 310 L CB -2.146 39.863 42.059 -0.083 0.000 2.005 310 L HN 0.252 nan 8.230 nan 0.000 0.935 311 E N -0.245 120.039 120.200 0.139 0.000 2.259 311 E HA 0.463 4.813 4.350 0.000 0.000 0.281 311 E C -0.044 176.664 176.600 0.180 0.000 1.037 311 E CA -0.170 56.282 56.400 0.087 0.000 0.854 311 E CB 0.647 30.364 29.700 0.028 0.000 1.051 311 E HN 0.425 nan 8.360 nan 0.000 0.409 312 Y N 0.129 120.465 120.300 0.061 0.000 2.857 312 Y HA 0.610 5.160 4.550 0.000 0.000 0.318 312 Y C -0.601 175.362 175.900 0.106 0.000 1.313 312 Y CA -1.178 56.995 58.100 0.123 0.000 1.117 312 Y CB 1.380 39.901 38.460 0.102 0.000 1.344 312 Y HN 0.295 nan 8.280 nan 0.000 0.525 313 Q N 1.022 121.043 119.800 0.367 0.000 2.482 313 Q HA 0.684 5.024 4.340 0.000 0.000 0.286 313 Q C -1.416 174.759 176.000 0.292 0.000 1.007 313 Q CA -0.966 55.002 55.803 0.276 0.000 0.801 313 Q CB 3.615 32.577 28.738 0.373 0.000 1.455 313 Q HN 0.821 nan 8.270 nan 0.000 0.398 314 I N -3.071 117.449 120.570 -0.083 0.000 3.343 314 I HA 1.009 5.180 4.170 0.000 0.000 0.315 314 I C -0.160 175.338 176.117 -1.032 0.000 1.153 314 I CA -0.835 60.130 61.300 -0.559 0.000 0.952 314 I CB 2.397 40.136 38.000 -0.436 0.000 1.287 314 I HN 0.740 nan 8.210 nan 0.000 0.472 315 G N 0.429 108.595 108.800 -1.057 0.000 2.345 315 G HA2 0.377 4.338 3.960 0.000 0.000 0.285 315 G HA3 0.377 4.338 3.960 0.000 0.000 0.285 315 G C -2.507 171.977 174.900 -0.692 0.000 1.297 315 G CA -0.668 44.060 45.100 -0.621 0.000 0.875 315 G HN 0.672 nan 8.290 nan 0.000 0.506 316 Y N -0.771 119.284 120.300 -0.408 0.000 2.576 316 Y HA 0.669 5.219 4.550 0.000 0.000 0.346 316 Y C 0.668 176.537 175.900 -0.051 0.000 1.018 316 Y CA -0.879 57.088 58.100 -0.222 0.000 1.050 316 Y CB 1.920 40.236 38.460 -0.239 0.000 1.280 316 Y HN 0.492 nan 8.280 nan 0.000 0.474 317 I N 2.414 122.992 120.570 0.014 0.000 2.452 317 I HA -0.045 4.125 4.170 0.000 0.000 0.287 317 I C 0.320 176.397 176.117 -0.067 0.000 1.079 317 I CA 0.081 61.253 61.300 -0.214 0.000 1.387 317 I CB 0.496 38.370 38.000 -0.209 0.000 1.404 317 I HN 0.793 nan 8.210 nan 0.000 0.522 318 c N 3.070 121.618 118.600 -0.087 0.000 2.481 318 c HA -0.037 4.533 4.570 0.000 0.000 0.275 318 c C 1.764 175.814 174.090 -0.066 0.000 1.419 318 c CA -0.243 56.063 56.329 -0.038 0.000 1.773 318 c CB -1.175 41.324 42.510 -0.018 0.000 1.862 318 c HN 0.866 nan 8.230 nan 0.000 0.530 319 S N 1.332 116.971 115.700 -0.102 0.000 2.561 319 S HA 0.217 4.687 4.470 0.000 0.000 0.294 319 S C 1.340 175.767 174.600 -0.288 0.000 1.294 319 S CA 0.574 58.676 58.200 -0.164 0.000 1.055 319 S CB 0.526 63.624 63.200 -0.170 0.000 0.819 319 S HN 0.626 nan 8.310 nan 0.000 0.503 320 G N 2.882 111.460 108.800 -0.370 0.000 2.848 320 G HA2 0.123 4.083 3.960 0.000 0.000 0.208 320 G HA3 0.123 4.083 3.960 0.000 0.000 0.208 320 G C 0.210 174.512 174.900 -0.998 0.000 1.152 320 G CA -0.031 44.644 45.100 -0.708 0.000 0.789 320 G HN 0.665 nan 8.290 nan 0.000 0.531 321 V N 2.663 122.226 119.914 -0.584 0.000 2.162 321 V HA 0.253 4.373 4.120 0.000 0.000 0.255 321 V C -0.082 175.792 176.094 -0.366 0.000 1.304 321 V CA -0.993 61.040 62.300 -0.445 0.000 1.198 321 V CB -1.216 30.406 31.823 -0.335 0.000 1.333 321 V HN 0.235 nan 8.190 nan 0.000 0.493 322 F N 1.668 121.557 119.950 -0.102 0.000 2.623 322 F HA 0.133 4.661 4.527 0.000 0.000 0.383 322 F C 1.656 177.382 175.800 -0.122 0.000 1.077 322 F CA 0.558 58.500 58.000 -0.096 0.000 1.268 322 F CB 0.526 39.481 39.000 -0.074 0.000 1.053 322 F HN 0.436 nan 8.300 nan 0.000 0.571 323 G N 1.376 110.211 108.800 0.058 0.000 2.986 323 G HA2 -0.043 3.917 3.960 0.000 0.000 0.213 323 G HA3 -0.043 3.917 3.960 0.000 0.000 0.213 323 G C 0.098 174.973 174.900 -0.042 0.000 1.156 323 G CA -0.055 45.011 45.100 -0.056 0.000 0.763 323 G HN 0.523 nan 8.290 nan 0.000 0.547 324 D N 0.178 120.581 120.400 0.006 0.000 2.451 324 D HA 0.272 4.912 4.640 0.000 0.000 0.259 324 D C -0.640 175.663 176.300 0.006 0.000 1.201 324 D CA -0.531 53.463 54.000 -0.010 0.000 1.028 324 D CB 0.936 41.728 40.800 -0.012 0.000 1.095 324 D HN 0.051 nan 8.370 nan 0.000 0.539 325 N N 0.667 119.370 118.700 0.006 0.000 2.503 325 N HA 0.212 4.953 4.740 0.000 0.000 0.287 325 N C -3.008 172.533 175.510 0.052 0.000 1.096 325 N CA -1.206 51.871 53.050 0.046 0.000 0.936 325 N CB 2.554 41.090 38.487 0.083 0.000 1.570 325 N HN 0.110 nan 8.380 nan 0.000 0.504 326 P HA 0.240 nan 4.420 nan 0.000 0.274 326 P C -0.768 176.548 177.300 0.027 0.000 1.260 326 P CA 0.087 63.243 63.100 0.094 0.000 0.793 326 P CB 1.132 32.909 31.700 0.127 0.000 1.048 327 R N -2.506 117.994 120.500 -0.000 0.000 2.780 327 R HA 0.562 4.902 4.340 0.000 0.000 0.280 327 R C -3.163 173.094 176.300 -0.072 0.000 1.016 327 R CA -1.657 54.397 56.100 -0.077 0.000 0.854 327 R CB 0.326 30.618 30.300 -0.013 0.000 1.293 327 R HN 0.184 nan 8.270 nan 0.000 0.483 328 P HA 0.229 nan 4.420 nan 0.000 0.284 328 P C -0.992 176.381 177.300 0.122 0.000 1.287 328 P CA -0.678 62.382 63.100 -0.067 0.000 0.824 328 P CB 0.650 32.237 31.700 -0.188 0.000 1.180 329 N N 0.587 119.359 118.700 0.121 0.000 2.441 329 N HA 0.015 4.755 4.740 0.000 0.000 0.251 329 N C -0.167 175.497 175.510 0.258 0.000 1.242 329 N CA 0.361 53.498 53.050 0.145 0.000 0.898 329 N CB -0.315 38.222 38.487 0.082 0.000 1.100 329 N HN 0.322 nan 8.380 nan 0.000 0.443 330 D N 1.001 121.489 120.400 0.146 0.000 2.376 330 D HA 0.073 4.714 4.640 0.000 0.000 0.278 330 D C 0.991 177.266 176.300 -0.041 0.000 1.384 330 D CA 0.393 54.369 54.000 -0.040 0.000 1.033 330 D CB -0.009 40.718 40.800 -0.121 0.000 1.102 330 D HN 0.531 nan 8.370 nan 0.000 0.530 331 G N 1.304 110.123 108.800 0.033 0.000 3.310 331 G HA2 0.298 4.258 3.960 0.000 0.000 0.176 331 G HA3 0.298 4.258 3.960 0.000 0.000 0.176 331 G C -0.278 174.585 174.900 -0.062 0.000 1.307 331 G CA -0.299 44.830 45.100 0.049 0.000 0.935 331 G HN 0.291 nan 8.290 nan 0.000 0.628 332 T N 0.469 115.051 114.554 0.047 0.000 2.767 332 T HA 0.586 4.937 4.350 0.000 0.000 0.284 332 T C 0.485 175.243 174.700 0.096 0.000 0.973 332 T CA 0.101 62.203 62.100 0.003 0.000 0.996 332 T CB 1.164 70.036 68.868 0.006 0.000 0.927 332 T HN 0.654 nan 8.240 nan 0.000 0.456 340 P HA -0.092 nan 4.420 nan 0.000 0.255 340 P C 0.384 177.282 177.300 -0.669 0.000 1.114 340 P CA 0.316 62.699 63.100 -1.196 0.000 0.765 340 P CB 0.327 31.325 31.700 -1.170 0.000 0.694 341 V N 4.221 123.871 119.914 -0.439 0.000 2.405 341 V HA 0.000 4.120 4.120 0.000 0.000 0.264 341 V C 2.082 177.952 176.094 -0.373 0.000 1.048 341 V CA 0.812 62.896 62.300 -0.360 0.000 0.966 341 V CB 0.428 32.037 31.823 -0.357 0.000 1.015 341 V HN 0.676 nan 8.190 nan 0.000 0.477 342 S N 3.202 118.686 115.700 -0.360 0.000 2.387 342 S HA -0.094 4.376 4.470 0.000 0.000 0.226 342 S C 1.412 175.873 174.600 -0.232 0.000 1.026 342 S CA 0.624 58.642 58.200 -0.304 0.000 0.972 342 S CB -0.405 62.616 63.200 -0.297 0.000 0.814 342 S HN 0.955 nan 8.310 nan 0.000 0.477 343 S N 2.929 118.482 115.700 -0.244 0.000 3.064 343 S HA 0.091 4.561 4.470 0.000 0.000 0.291 343 S C 0.606 175.082 174.600 -0.205 0.000 0.958 343 S CA 0.297 58.371 58.200 -0.210 0.000 1.775 343 S CB -1.180 61.888 63.200 -0.219 0.000 1.466 343 S HN 0.605 nan 8.310 nan 0.000 0.636 344 N N 1.013 119.631 118.700 -0.136 0.000 2.949 344 N HA -0.132 4.608 4.740 0.000 0.000 0.192 344 N C 0.521 175.990 175.510 -0.069 0.000 0.979 344 N CA 1.294 54.290 53.050 -0.090 0.000 1.027 344 N CB -1.583 36.845 38.487 -0.099 0.000 0.992 344 N HN 0.820 nan 8.380 nan 0.000 0.567 345 G N 0.240 108.972 108.800 -0.114 0.000 3.581 345 G HA2 0.532 4.492 3.960 0.000 0.000 0.255 345 G HA3 0.532 4.492 3.960 0.000 0.000 0.255 345 G C 0.715 175.617 174.900 0.002 0.000 1.121 345 G CA 0.574 45.634 45.100 -0.067 0.000 1.739 345 G HN 0.489 nan 8.290 nan 0.000 0.646 346 A N 0.029 122.879 122.820 0.051 0.000 2.684 346 A HA 0.640 4.961 4.320 0.000 0.000 0.288 346 A C -0.128 177.582 177.584 0.210 0.000 1.337 346 A CA -0.428 51.668 52.037 0.098 0.000 0.946 346 A CB -0.025 19.014 19.000 0.066 0.000 1.093 346 A HN 0.572 nan 8.150 nan 0.000 0.543 347 Y N -1.794 118.532 120.300 0.042 0.000 2.789 347 Y HA 0.539 5.089 4.550 0.000 0.000 0.256 347 Y C 0.211 176.157 175.900 0.078 0.000 1.916 347 Y CA -0.219 57.920 58.100 0.064 0.000 1.037 347 Y CB 0.181 38.676 38.460 0.058 0.000 3.038 347 Y HN 0.727 nan 8.280 nan 0.000 0.336 348 G N 0.278 108.649 108.800 -0.716 0.000 2.345 348 G HA2 0.487 4.447 3.960 0.000 0.000 0.285 348 G HA3 0.487 4.447 3.960 0.000 0.000 0.285 348 G C -2.414 172.196 174.900 -0.484 0.000 1.297 348 G CA -0.013 44.828 45.100 -0.431 0.000 0.875 348 G HN 1.278 nan 8.290 nan 0.000 0.506 349 V N -0.159 119.618 119.914 -0.229 0.000 3.000 349 V HA 0.675 4.795 4.120 0.000 0.000 0.300 349 V C -0.220 175.724 176.094 -0.250 0.000 1.251 349 V CA -0.700 61.505 62.300 -0.158 0.000 0.972 349 V CB 1.846 33.688 31.823 0.030 0.000 1.065 349 V HN 1.115 nan 8.190 nan 0.000 0.431 350 K N 3.403 123.438 120.400 -0.608 0.000 2.436 350 K HA 0.586 4.906 4.320 0.000 0.000 0.275 350 K C 0.088 176.569 176.600 -0.198 0.000 0.999 350 K CA 0.973 56.955 56.287 -0.508 0.000 0.980 350 K CB 0.809 32.787 32.500 -0.870 0.000 0.919 350 K HN 1.082 nan 8.250 nan 0.000 0.484 351 G N 2.081 110.840 108.800 -0.067 0.000 2.682 351 G HA2 0.613 4.573 3.960 0.000 0.000 0.303 351 G HA3 0.613 4.573 3.960 0.000 0.000 0.303 351 G C -1.655 173.333 174.900 0.147 0.000 1.341 351 G CA -0.751 44.386 45.100 0.062 0.000 0.784 351 G HN 0.635 nan 8.290 nan 0.000 0.497 352 F N -2.094 117.789 119.950 -0.112 0.000 2.789 352 F HA 0.908 5.435 4.527 0.000 0.000 0.319 352 F C -0.644 175.083 175.800 -0.123 0.000 1.168 352 F CA -1.645 56.272 58.000 -0.137 0.000 0.934 352 F CB 1.534 40.389 39.000 -0.243 0.000 1.375 352 F HN 0.677 nan 8.300 nan 0.000 0.480 353 S N 0.027 115.562 115.700 -0.275 0.000 2.578 353 S HA 0.580 5.050 4.470 0.000 0.000 0.285 353 S C -1.930 172.676 174.600 0.010 0.000 1.126 353 S CA -0.632 57.450 58.200 -0.195 0.000 0.878 353 S CB 1.007 64.215 63.200 0.013 0.000 1.091 353 S HN 0.583 nan 8.310 nan 0.000 0.450 354 F N 2.413 122.607 119.950 0.407 0.000 2.436 354 F HA 0.521 5.048 4.527 0.000 0.000 0.340 354 F C 0.467 176.519 175.800 0.421 0.000 1.113 354 F CA -0.604 57.611 58.000 0.358 0.000 1.022 354 F CB 1.317 40.564 39.000 0.413 0.000 1.128 354 F HN 0.341 nan 8.300 nan 0.000 0.466 355 K N 3.673 124.265 120.400 0.320 0.000 2.183 355 K HA 0.401 4.721 4.320 0.000 0.000 0.274 355 K C -1.983 174.557 176.600 -0.100 0.000 1.009 355 K CA -0.453 55.795 56.287 -0.065 0.000 0.888 355 K CB 0.693 32.661 32.500 -0.887 0.000 1.078 355 K HN 0.656 nan 8.250 nan 0.000 0.459 356 Y N 3.239 123.599 120.300 0.101 0.000 2.373 356 Y HA 0.259 4.809 4.550 0.000 0.000 0.327 356 Y C 0.750 176.701 175.900 0.086 0.000 1.036 356 Y CA 0.291 58.475 58.100 0.140 0.000 1.265 356 Y CB 1.763 40.399 38.460 0.294 0.000 1.108 356 Y HN 1.056 nan 8.280 nan 0.000 0.471 357 G N 2.690 111.523 108.800 0.056 0.000 2.591 357 G HA2 -0.383 3.577 3.960 0.000 0.000 0.298 357 G HA3 -0.383 3.577 3.960 0.000 0.000 0.298 357 G C 0.824 175.692 174.900 -0.052 0.000 1.195 357 G CA 0.665 45.776 45.100 0.019 0.000 0.989 357 G HN 0.573 nan 8.290 nan 0.000 0.551 358 N N 2.522 121.235 118.700 0.022 0.000 2.280 358 N HA 0.244 4.984 4.740 0.000 0.000 0.192 358 N C 0.989 176.531 175.510 0.053 0.000 1.109 358 N CA 0.940 54.015 53.050 0.041 0.000 0.855 358 N CB 0.603 39.124 38.487 0.056 0.000 0.974 358 N HN 0.806 nan 8.380 nan 0.000 0.482 359 G N 0.174 109.001 108.800 0.044 0.000 2.502 359 G HA2 0.549 4.509 3.960 0.000 0.000 0.305 359 G HA3 0.549 4.509 3.960 0.000 0.000 0.305 359 G C -0.565 174.367 174.900 0.053 0.000 1.190 359 G CA -0.222 44.775 45.100 -0.173 0.000 0.933 359 G HN -0.057 nan 8.290 nan 0.000 0.503 360 V N -1.105 118.720 119.914 -0.148 0.000 2.891 360 V HA 0.373 4.493 4.120 0.000 0.000 0.304 360 V C -1.516 174.746 176.094 0.281 0.000 1.171 360 V CA -0.970 61.493 62.300 0.272 0.000 0.943 360 V CB 1.881 33.881 31.823 0.295 0.000 1.037 360 V HN 0.807 nan 8.190 nan 0.000 0.427 361 W N 4.091 125.747 121.300 0.593 0.000 2.332 361 W HA 0.722 5.382 4.660 0.000 0.000 0.306 361 W C -0.173 176.429 176.519 0.138 0.000 1.149 361 W CA -0.162 57.495 57.345 0.519 0.000 1.271 361 W CB 1.263 31.168 29.460 0.742 0.000 1.243 361 W HN 0.422 nan 8.180 nan 0.000 0.459 362 I N 4.134 124.796 120.570 0.154 0.000 2.354 362 I HA 0.456 4.626 4.170 0.000 0.000 0.292 362 I C 0.793 176.663 176.117 -0.411 0.000 0.989 362 I CA -0.650 60.538 61.300 -0.187 0.000 1.188 362 I CB 1.185 39.054 38.000 -0.217 0.000 1.342 362 I HN 0.439 nan 8.210 nan 0.000 0.457 363 G N 6.205 114.522 108.800 -0.804 0.000 2.372 363 G HA2 0.761 4.722 3.960 0.000 0.000 0.323 363 G HA3 0.761 4.722 3.960 0.000 0.000 0.323 363 G C -0.771 173.650 174.900 -0.797 0.000 1.152 363 G CA -0.476 44.076 45.100 -0.914 0.000 0.906 363 G HN 0.775 nan 8.290 nan 0.000 0.460 364 R N -0.028 119.763 120.500 -1.182 0.000 2.728 364 R HA 0.630 4.970 4.340 0.000 0.000 0.274 364 R C -0.264 175.572 176.300 -0.775 0.000 1.030 364 R CA -0.700 54.971 56.100 -0.715 0.000 0.876 364 R CB 0.426 30.489 30.300 -0.395 0.000 1.259 364 R HN 0.612 nan 8.270 nan 0.000 0.468 365 T N -0.965 113.461 114.554 -0.213 0.000 2.813 365 T HA 0.243 4.593 4.350 0.000 0.000 0.297 365 T C 0.623 175.274 174.700 -0.083 0.000 1.036 365 T CA -0.463 61.632 62.100 -0.009 0.000 1.044 365 T CB 1.076 70.018 68.868 0.123 0.000 0.993 365 T HN 0.701 nan 8.240 nan 0.000 0.535 366 K N 0.151 120.543 120.400 -0.013 0.000 2.284 366 K HA 0.155 4.475 4.320 0.000 0.000 0.198 366 K C 1.323 177.922 176.600 -0.003 0.000 1.048 366 K CA 0.071 56.341 56.287 -0.028 0.000 0.987 366 K CB 0.206 32.701 32.500 -0.007 0.000 0.800 366 K HN 0.576 nan 8.250 nan 0.000 0.486 367 S N 0.496 116.211 115.700 0.024 0.000 2.601 367 S HA 0.050 4.520 4.470 0.000 0.000 0.271 367 S C 1.106 175.735 174.600 0.049 0.000 1.305 367 S CA -0.421 57.799 58.200 0.035 0.000 1.022 367 S CB 1.198 64.427 63.200 0.048 0.000 0.940 367 S HN 0.332 nan 8.310 nan 0.000 0.525 368 T N 0.956 115.539 114.554 0.049 0.000 3.060 368 T HA 0.242 4.592 4.350 0.000 0.000 0.249 368 T C 0.850 175.591 174.700 0.068 0.000 1.079 368 T CA -0.016 62.116 62.100 0.054 0.000 1.013 368 T CB -0.167 68.728 68.868 0.046 0.000 0.975 368 T HN 0.574 nan 8.240 nan 0.000 0.518 369 N N 0.698 119.448 118.700 0.083 0.000 2.445 369 N HA 0.224 4.964 4.740 0.000 0.000 0.204 369 N C 0.073 175.675 175.510 0.154 0.000 1.098 369 N CA 0.104 53.216 53.050 0.105 0.000 0.859 369 N CB 0.940 39.478 38.487 0.084 0.000 1.249 369 N HN 0.290 nan 8.380 nan 0.000 0.462 370 S N 0.215 116.019 115.700 0.173 0.000 2.689 370 S HA 0.446 4.916 4.470 0.000 0.000 0.306 370 S C 0.163 174.927 174.600 0.274 0.000 1.104 370 S CA -0.694 57.663 58.200 0.262 0.000 0.973 370 S CB 2.137 65.548 63.200 0.352 0.000 1.121 370 S HN 0.037 nan 8.310 nan 0.000 0.523 371 R N 1.798 122.515 120.500 0.361 0.000 3.701 371 R HA 0.315 4.655 4.340 0.000 0.000 0.210 371 R C -0.667 175.892 176.300 0.433 0.000 1.598 371 R CA -0.124 56.189 56.100 0.356 0.000 1.427 371 R CB -0.295 30.211 30.300 0.344 0.000 1.339 371 R HN 0.535 nan 8.270 nan 0.000 0.720 372 S N -0.153 115.717 115.700 0.283 0.000 2.526 372 S HA 0.780 5.250 4.470 0.000 0.000 0.293 372 S C 0.213 174.887 174.600 0.123 0.000 1.092 372 S CA -0.610 57.675 58.200 0.142 0.000 0.980 372 S CB 2.259 65.385 63.200 -0.123 0.000 1.048 372 S HN 0.675 nan 8.310 nan 0.000 0.483 373 G N 0.691 109.564 108.800 0.121 0.000 2.916 373 G HA2 0.052 4.012 3.960 0.000 0.000 0.533 373 G HA3 0.052 4.012 3.960 0.000 0.000 0.533 373 G C -1.082 173.992 174.900 0.290 0.000 1.516 373 G CA -0.273 44.918 45.100 0.152 0.000 0.944 373 G HN 1.174 nan 8.290 nan 0.000 0.555 374 F N 0.521 120.526 119.950 0.091 0.000 2.678 374 F HA 0.657 5.184 4.527 0.000 0.000 0.308 374 F C -0.546 175.288 175.800 0.056 0.000 1.118 374 F CA 0.047 58.098 58.000 0.084 0.000 0.959 374 F CB 1.916 41.005 39.000 0.149 0.000 1.305 374 F HN 1.091 nan 8.300 nan 0.000 0.443 375 E N 4.384 124.294 120.200 -0.483 0.000 2.380 375 E HA 0.444 4.795 4.350 0.000 0.000 0.281 375 E C -2.043 174.319 176.600 -0.397 0.000 0.999 375 E CA -1.147 55.112 56.400 -0.235 0.000 0.800 375 E CB 2.082 31.680 29.700 -0.169 0.000 1.228 375 E HN 0.384 nan 8.360 nan 0.000 0.436 376 M N 2.773 122.298 119.600 -0.125 0.000 2.149 376 M HA 0.484 4.964 4.480 0.000 0.000 0.342 376 M C -0.782 175.639 176.300 0.202 0.000 1.068 376 M CA -0.567 54.705 55.300 -0.047 0.000 0.991 376 M CB 0.666 33.233 32.600 -0.056 0.000 1.596 376 M HN 0.614 nan 8.290 nan 0.000 0.439 377 I N 2.674 123.287 120.570 0.071 0.000 2.433 377 I HA 0.354 4.524 4.170 0.000 0.000 0.292 377 I C -0.782 175.284 176.117 -0.086 0.000 1.001 377 I CA -0.563 60.674 61.300 -0.105 0.000 1.119 377 I CB 2.099 39.760 38.000 -0.565 0.000 1.289 377 I HN 0.719 nan 8.210 nan 0.000 0.438 378 W N 7.772 128.760 121.300 -0.520 0.000 2.283 378 W HA 0.300 4.960 4.660 0.000 0.000 0.317 378 W C -1.112 175.183 176.519 -0.374 0.000 1.042 378 W CA -0.481 56.294 57.345 -0.950 0.000 1.348 378 W CB 1.172 29.678 29.460 -1.590 0.000 1.216 378 W HN 0.471 nan 8.180 nan 0.000 0.404 379 D N 9.643 129.535 120.400 -0.846 0.000 2.485 379 D HA 0.262 4.902 4.640 0.000 0.000 0.229 379 D C -2.031 173.589 176.300 -1.133 0.000 1.101 379 D CA -2.290 51.280 54.000 -0.718 0.000 0.906 379 D CB 1.320 41.908 40.800 -0.352 0.000 1.019 379 D HN 0.110 nan 8.370 nan 0.000 0.516 380 P HA -0.014 nan 4.420 nan 0.000 0.271 380 P C -0.246 176.765 177.300 -0.483 0.000 1.238 380 P CA -0.231 62.229 63.100 -1.066 0.000 0.794 380 P CB 0.448 31.852 31.700 -0.493 0.000 0.959 381 N N -0.357 118.193 118.700 -0.249 0.000 2.725 381 N HA -0.188 4.552 4.740 0.000 0.000 0.280 381 N C 0.886 176.322 175.510 -0.124 0.000 1.017 381 N CA 1.403 54.386 53.050 -0.112 0.000 0.813 381 N CB -1.562 36.881 38.487 -0.073 0.000 0.931 381 N HN 0.816 nan 8.380 nan 0.000 0.570 382 G N -1.700 107.033 108.800 -0.111 0.000 4.000 382 G HA2 0.009 3.969 3.960 0.000 0.000 0.260 382 G HA3 0.009 3.969 3.960 0.000 0.000 0.260 382 G C 0.611 175.523 174.900 0.020 0.000 1.047 382 G CA -0.224 44.821 45.100 -0.093 0.000 0.860 382 G HN 0.495 nan 8.290 nan 0.000 0.464 383 W N 2.214 123.457 121.300 -0.095 0.000 2.872 383 W HA 0.094 4.755 4.660 0.000 0.000 0.266 383 W C 1.215 177.746 176.519 0.021 0.000 1.276 383 W CA 1.534 58.853 57.345 -0.044 0.000 1.471 383 W CB 0.393 29.808 29.460 -0.075 0.000 1.071 383 W HN 0.195 nan 8.180 nan 0.000 0.619 384 T N -2.487 112.201 114.554 0.223 0.000 2.975 384 T HA 0.189 4.539 4.350 0.000 0.000 0.261 384 T C 0.190 174.937 174.700 0.077 0.000 0.984 384 T CA 0.008 62.211 62.100 0.171 0.000 0.911 384 T CB 0.610 69.607 68.868 0.215 0.000 1.127 384 T HN -0.246 nan 8.240 nan 0.000 0.514 385 E N 1.625 121.847 120.200 0.036 0.000 2.264 385 E HA 0.566 4.916 4.350 0.000 0.000 0.260 385 E C -0.983 175.597 176.600 -0.034 0.000 0.961 385 E CA -0.566 55.832 56.400 -0.002 0.000 0.834 385 E CB 1.845 31.534 29.700 -0.019 0.000 1.230 385 E HN 0.091 nan 8.360 nan 0.000 0.412 386 T N 1.816 116.344 114.554 -0.043 0.000 2.791 386 T HA 0.511 4.861 4.350 0.000 0.000 0.288 386 T C -0.721 173.931 174.700 -0.079 0.000 0.999 386 T CA -0.688 61.372 62.100 -0.066 0.000 0.952 386 T CB 0.868 69.707 68.868 -0.049 0.000 0.938 386 T HN 0.220 nan 8.240 nan 0.000 0.444 387 D N 0.842 121.175 120.400 -0.111 0.000 2.921 387 D HA 0.454 5.094 4.640 0.000 0.000 0.329 387 D C 0.138 176.357 176.300 -0.135 0.000 1.293 387 D CA -0.563 53.374 54.000 -0.104 0.000 0.964 387 D CB 1.651 42.396 40.800 -0.092 0.000 1.435 387 D HN 0.332 nan 8.370 nan 0.000 0.548 388 S N -0.788 114.853 115.700 -0.099 0.000 2.817 388 S HA 0.110 4.580 4.470 0.000 0.000 0.262 388 S C 0.263 174.868 174.600 0.009 0.000 1.051 388 S CA -0.330 57.821 58.200 -0.081 0.000 1.185 388 S CB 0.605 63.761 63.200 -0.072 0.000 1.152 388 S HN 0.447 nan 8.310 nan 0.000 0.653 389 S N 2.172 117.846 115.700 -0.043 0.000 2.541 389 S HA 0.846 5.317 4.470 0.000 0.000 0.283 389 S C -0.485 174.085 174.600 -0.051 0.000 1.196 389 S CA -0.693 57.438 58.200 -0.115 0.000 1.062 389 S CB 0.786 63.890 63.200 -0.160 0.000 1.009 389 S HN 0.365 nan 8.310 nan 0.000 0.502 390 F N -0.599 119.249 119.950 -0.170 0.000 2.715 390 F HA 0.750 5.277 4.527 0.000 0.000 0.318 390 F C 0.581 176.287 175.800 -0.156 0.000 1.141 390 F CA -0.973 56.889 58.000 -0.229 0.000 0.950 390 F CB 0.783 39.641 39.000 -0.237 0.000 1.374 390 F HN 0.435 nan 8.300 nan 0.000 0.477 391 S N -0.537 115.153 115.700 -0.018 0.000 2.502 391 S HA 0.386 4.856 4.470 0.000 0.000 0.228 391 S C 0.268 174.970 174.600 0.169 0.000 1.061 391 S CA 0.349 58.551 58.200 0.003 0.000 0.935 391 S CB 0.399 63.660 63.200 0.102 0.000 0.809 391 S HN 0.429 nan 8.310 nan 0.000 0.510 395 Q N 4.158 124.138 119.800 0.300 0.000 2.341 395 Q HA 0.233 4.573 4.340 0.000 0.000 0.268 395 Q C -1.005 175.138 176.000 0.238 0.000 1.013 395 Q CA -0.719 55.268 55.803 0.307 0.000 0.798 395 Q CB 1.203 30.193 28.738 0.420 0.000 1.253 395 Q HN 0.493 nan 8.270 nan 0.000 0.457 396 D N 4.136 124.674 120.400 0.230 0.000 2.372 396 D HA 0.145 4.785 4.640 0.000 0.000 0.243 396 D C 0.670 177.155 176.300 0.309 0.000 1.121 396 D CA 0.314 54.441 54.000 0.213 0.000 0.898 396 D CB 1.301 42.208 40.800 0.180 0.000 1.202 396 D HN 0.635 nan 8.370 nan 0.000 0.428 397 I N -0.285 120.479 120.570 0.322 0.000 4.578 397 I HA 0.013 4.183 4.170 0.000 0.000 0.312 397 I C -0.303 176.110 176.117 0.494 0.000 1.224 397 I CA 0.237 61.825 61.300 0.480 0.000 1.318 397 I CB 1.031 39.258 38.000 0.379 0.000 1.388 397 I HN 0.049 nan 8.210 nan 0.000 0.461 398 V N 1.642 121.764 119.914 0.347 0.000 2.711 398 V HA 0.576 4.697 4.120 0.000 0.000 0.304 398 V C -0.057 176.117 176.094 0.132 0.000 1.097 398 V CA -1.127 61.322 62.300 0.248 0.000 0.906 398 V CB 1.623 33.630 31.823 0.306 0.000 1.015 398 V HN 0.190 nan 8.190 nan 0.000 0.427 399 A N 4.202 127.043 122.820 0.034 0.000 2.520 399 A HA 0.399 4.719 4.320 0.000 0.000 0.235 399 A C 1.221 178.794 177.584 -0.019 0.000 1.065 399 A CA 0.117 52.148 52.037 -0.009 0.000 0.764 399 A CB -0.031 18.930 19.000 -0.065 0.000 1.002 399 A HN 0.876 nan 8.150 nan 0.000 0.502 400 I N 1.245 121.798 120.570 -0.029 0.000 2.423 400 I HA -0.235 3.936 4.170 0.000 0.000 0.254 400 I C 2.364 178.398 176.117 -0.138 0.000 1.151 400 I CA 1.834 63.100 61.300 -0.056 0.000 1.421 400 I CB -0.695 37.280 38.000 -0.042 0.000 1.079 400 I HN 0.850 nan 8.210 nan 0.000 0.431 401 T N -2.857 111.616 114.554 -0.136 0.000 3.113 401 T HA 0.030 4.380 4.350 0.000 0.000 0.263 401 T C 0.553 175.078 174.700 -0.292 0.000 1.143 401 T CA 0.313 62.295 62.100 -0.197 0.000 1.090 401 T CB -0.316 68.474 68.868 -0.129 0.000 0.922 401 T HN 0.214 nan 8.240 nan 0.000 0.521 402 D N -0.181 120.066 120.400 -0.255 0.000 2.419 402 D HA 0.313 4.953 4.640 0.000 0.000 0.234 402 D C -0.865 175.281 176.300 -0.257 0.000 1.014 402 D CA -0.712 53.134 54.000 -0.257 0.000 0.919 402 D CB 1.326 42.091 40.800 -0.059 0.000 1.366 402 D HN 0.335 nan 8.370 nan 0.000 0.490 403 W N 1.092 122.442 121.300 0.085 0.000 2.202 403 W HA 0.248 4.908 4.660 0.000 0.000 0.332 403 W C 1.248 177.850 176.519 0.137 0.000 1.263 403 W CA -0.192 57.213 57.345 0.100 0.000 1.223 403 W CB 0.808 30.311 29.460 0.073 0.000 1.128 403 W HN 0.299 nan 8.180 nan 0.000 0.573 404 S N 1.137 117.100 115.700 0.438 0.000 3.848 404 S HA 0.981 5.451 4.470 0.000 0.000 0.266 404 S C 0.083 174.891 174.600 0.347 0.000 1.050 404 S CA -0.206 58.206 58.200 0.353 0.000 1.322 404 S CB 1.524 64.946 63.200 0.370 0.000 1.264 404 S HN 0.939 nan 8.310 nan 0.000 0.751 405 G N -0.617 108.389 108.800 0.344 0.000 2.566 405 G HA2 0.335 4.295 3.960 0.000 0.000 0.138 405 G HA3 0.335 4.295 3.960 0.000 0.000 0.138 405 G C -1.687 173.492 174.900 0.465 0.000 1.133 405 G CA -0.713 44.607 45.100 0.366 0.000 1.037 405 G HN 0.542 nan 8.290 nan 0.000 0.491 406 Y N 1.593 122.051 120.300 0.263 0.000 2.511 406 Y HA 0.494 5.044 4.550 0.000 0.000 0.347 406 Y C 1.268 177.251 175.900 0.139 0.000 1.257 406 Y CA -0.184 58.075 58.100 0.265 0.000 1.469 406 Y CB 0.949 39.667 38.460 0.430 0.000 1.353 406 Y HN 0.821 nan 8.280 nan 0.000 0.617 407 S N -0.206 115.460 115.700 -0.057 0.000 2.570 407 S HA 0.931 5.401 4.470 0.000 0.000 0.270 407 S C -0.597 173.398 174.600 -1.008 0.000 1.149 407 S CA -0.358 57.491 58.200 -0.585 0.000 0.837 407 S CB 2.124 65.249 63.200 -0.124 0.000 1.124 407 S HN 1.066 nan 8.310 nan 0.000 0.465 408 G N 0.458 108.172 108.800 -1.811 0.000 2.646 408 G HA2 0.625 4.586 3.960 0.000 0.000 0.291 408 G HA3 0.625 4.586 3.960 0.000 0.000 0.291 408 G C -0.903 173.397 174.900 -0.999 0.000 1.445 408 G CA -0.276 44.153 45.100 -1.120 0.000 0.814 408 G HN 1.458 nan 8.290 nan 0.000 0.495 409 S N -0.745 114.722 115.700 -0.387 0.000 2.578 409 S HA 0.871 5.342 4.470 0.000 0.000 0.283 409 S C -0.460 174.387 174.600 0.412 0.000 1.195 409 S CA -0.592 57.532 58.200 -0.127 0.000 1.050 409 S CB 1.115 64.216 63.200 -0.164 0.000 1.012 409 S HN 1.555 nan 8.310 nan 0.000 0.511 410 F N -0.018 120.133 119.950 0.335 0.000 2.650 410 F HA 0.909 5.436 4.527 0.000 0.000 0.320 410 F C -0.783 175.206 175.800 0.315 0.000 1.091 410 F CA -1.244 56.981 58.000 0.376 0.000 0.962 410 F CB 0.573 39.836 39.000 0.437 0.000 1.363 410 F HN 0.496 nan 8.300 nan 0.000 0.482 411 V N 0.593 120.740 119.914 0.388 0.000 4.781 411 V HA 0.561 4.681 4.120 0.000 0.000 0.288 411 V C 0.345 176.553 176.094 0.190 0.000 1.442 411 V CA 0.055 62.455 62.300 0.166 0.000 0.846 411 V CB 1.410 33.369 31.823 0.227 0.000 1.330 411 V HN 1.300 nan 8.190 nan 0.000 0.450 412 L N -1.068 120.187 121.223 0.053 0.000 2.346 412 L HA -0.211 4.129 4.340 0.000 0.000 0.468 412 L C 1.183 178.066 176.870 0.022 0.000 0.714 412 L CA 2.647 57.508 54.840 0.035 0.000 3.079 412 L CB -1.691 40.390 42.059 0.036 0.000 0.758 412 L HN 0.680 nan 8.230 nan 0.000 0.731 413 T N -0.699 113.866 114.554 0.018 0.000 3.031 413 T HA 0.467 4.817 4.350 0.000 0.000 0.254 413 T C 1.480 176.181 174.700 0.002 0.000 1.060 413 T CA 1.324 63.428 62.100 0.005 0.000 1.135 413 T CB 0.316 69.178 68.868 -0.009 0.000 0.896 413 T HN 1.336 nan 8.240 nan 0.000 0.472 414 G N 0.879 109.683 108.800 0.007 0.000 2.225 414 G HA2 -0.207 3.754 3.960 0.000 0.000 0.254 414 G HA3 -0.207 3.754 3.960 0.000 0.000 0.254 414 G C 0.089 174.987 174.900 -0.003 0.000 0.988 414 G CA -0.035 45.067 45.100 0.004 0.000 0.625 414 G HN 0.378 nan 8.290 nan 0.000 0.527 415 L N 1.918 123.136 121.223 -0.009 0.000 2.473 415 L HA 0.360 4.700 4.340 0.000 0.000 0.265 415 L C 1.539 178.403 176.870 -0.011 0.000 1.243 415 L CA 0.936 55.765 54.840 -0.018 0.000 0.822 415 L CB 0.462 42.502 42.059 -0.032 0.000 1.101 415 L HN 0.409 nan 8.230 nan 0.000 0.507 416 D N -1.239 119.152 120.400 -0.015 0.000 2.402 416 D HA 0.101 4.741 4.640 0.000 0.000 0.216 416 D C -0.107 176.187 176.300 -0.010 0.000 1.128 416 D CA -0.123 53.872 54.000 -0.009 0.000 0.833 416 D CB -0.111 40.683 40.800 -0.010 0.000 0.971 416 D HN 0.438 nan 8.370 nan 0.000 0.503 417 c N -1.318 117.272 118.600 -0.017 0.000 3.285 417 c HA 0.712 5.282 4.570 0.000 0.000 0.320 417 c C -0.180 173.896 174.090 -0.023 0.000 1.411 417 c CA -1.299 55.019 56.329 -0.019 0.000 1.429 417 c CB 0.687 43.180 42.510 -0.027 0.000 1.812 417 c HN 0.093 nan 8.230 nan 0.000 0.454 418 I N 2.060 122.616 120.570 -0.023 0.000 2.342 418 I HA 0.330 4.500 4.170 0.000 0.000 0.291 418 I C 0.556 176.627 176.117 -0.077 0.000 1.010 418 I CA -0.047 61.239 61.300 -0.022 0.000 1.308 418 I CB 0.590 38.599 38.000 0.015 0.000 1.400 418 I HN 0.551 nan 8.210 nan 0.000 0.488 419 R N 8.212 128.654 120.500 -0.096 0.000 2.210 419 R HA 0.316 4.656 4.340 0.000 0.000 0.338 419 R C -2.417 173.732 176.300 -0.252 0.000 1.062 419 R CA -1.493 54.500 56.100 -0.178 0.000 0.902 419 R CB 1.047 31.246 30.300 -0.168 0.000 1.050 419 R HN 0.315 nan 8.270 nan 0.000 0.461 420 P HA 0.226 nan 4.420 nan 0.000 0.285 420 P C -0.631 176.416 177.300 -0.423 0.000 1.259 420 P CA -0.363 62.370 63.100 -0.612 0.000 0.794 420 P CB 1.241 32.180 31.700 -1.269 0.000 0.940 421 c N 2.870 121.242 118.600 -0.379 0.000 3.291 421 c HA 0.822 5.392 4.570 0.000 0.000 0.316 421 c C -0.510 173.434 174.090 -0.243 0.000 1.391 421 c CA -0.386 55.663 56.329 -0.467 0.000 1.394 421 c CB 1.368 43.007 42.510 -1.452 0.000 1.744 421 c HN 0.731 nan 8.230 nan 0.000 0.461 422 F N -0.532 119.291 119.950 -0.212 0.000 2.686 422 F HA 0.896 5.423 4.527 0.000 0.000 0.311 422 F C -1.482 174.480 175.800 0.270 0.000 1.128 422 F CA -1.146 56.724 58.000 -0.217 0.000 0.946 422 F CB 0.946 39.383 39.000 -0.939 0.000 1.336 422 F HN 0.831 nan 8.300 nan 0.000 0.457 423 W N 1.153 122.641 121.300 0.313 0.000 2.864 423 W HA 0.851 5.511 4.660 0.000 0.000 0.343 423 W C -2.344 174.300 176.519 0.209 0.000 1.109 423 W CA -1.572 55.908 57.345 0.225 0.000 1.192 423 W CB 1.007 30.585 29.460 0.196 0.000 1.426 423 W HN 0.535 nan 8.180 nan 0.000 0.529 424 V N 1.518 121.709 119.914 0.461 0.000 2.656 424 V HA 0.227 4.347 4.120 0.000 0.000 0.307 424 V C -0.305 176.041 176.094 0.421 0.000 1.051 424 V CA -0.805 61.635 62.300 0.233 0.000 0.893 424 V CB 1.782 33.553 31.823 -0.087 0.000 0.999 424 V HN 0.632 nan 8.190 nan 0.000 0.426 425 E N 4.318 124.798 120.200 0.466 0.000 2.200 425 E HA 0.463 4.813 4.350 0.000 0.000 0.283 425 E C -1.261 175.503 176.600 0.274 0.000 1.015 425 E CA -0.557 56.078 56.400 0.391 0.000 0.819 425 E CB 1.031 31.013 29.700 0.469 0.000 1.081 425 E HN 0.626 nan 8.360 nan 0.000 0.397 426 L N 6.984 128.341 121.223 0.224 0.000 2.287 426 L HA 0.380 4.720 4.340 0.000 0.000 0.280 426 L C -0.146 176.838 176.870 0.191 0.000 1.055 426 L CA -0.559 54.417 54.840 0.228 0.000 0.863 426 L CB 0.406 42.596 42.059 0.218 0.000 1.245 426 L HN 0.533 nan 8.230 nan 0.000 0.432 427 I N 3.942 124.620 120.570 0.181 0.000 2.471 427 I HA 0.225 4.395 4.170 0.000 0.000 0.286 427 I C 0.308 176.423 176.117 -0.004 0.000 1.079 427 I CA -0.131 61.216 61.300 0.079 0.000 1.398 427 I CB 0.352 38.370 38.000 0.030 0.000 1.403 427 I HN 0.499 nan 8.210 nan 0.000 0.530 428 R N 4.121 124.593 120.500 -0.047 0.000 2.854 428 R HA 0.793 5.133 4.340 0.000 0.000 0.271 428 R C 0.250 176.283 176.300 -0.445 0.000 0.996 428 R CA -0.389 55.599 56.100 -0.187 0.000 0.961 428 R CB 1.554 31.855 30.300 0.002 0.000 1.182 428 R HN 0.887 nan 8.270 nan 0.000 0.479 429 G N 1.490 109.868 108.800 -0.703 0.000 2.466 429 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 429 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 429 G C -0.792 173.732 174.900 -0.626 0.000 1.237 429 G CA -0.619 43.911 45.100 -0.950 0.000 0.954 429 G HN 0.502 nan 8.290 nan 0.000 0.580 430 R N 1.681 121.871 120.500 -0.516 0.000 2.694 430 R HA 0.360 4.700 4.340 0.000 0.000 0.268 430 R C -1.093 175.038 176.300 -0.282 0.000 1.061 430 R CA -0.536 55.360 56.100 -0.340 0.000 1.133 430 R CB 0.727 30.882 30.300 -0.242 0.000 1.020 430 R HN 0.456 nan 8.270 nan 0.000 0.475 431 P HA 0.008 nan 4.420 nan 0.000 0.251 431 P C 0.050 177.202 177.300 -0.247 0.000 1.223 431 P CA 0.597 63.576 63.100 -0.202 0.000 0.796 431 P CB 0.513 32.137 31.700 -0.126 0.000 1.068 432 K N 0.501 120.665 120.400 -0.392 0.000 2.217 432 K HA 0.059 4.379 4.320 0.000 0.000 0.202 432 K C 1.013 177.410 176.600 -0.338 0.000 1.051 432 K CA 0.822 56.837 56.287 -0.454 0.000 0.952 432 K CB 0.214 32.062 32.500 -1.087 0.000 0.736 432 K HN 0.432 nan 8.250 nan 0.000 0.453 436 T N -0.877 113.508 114.554 -0.282 0.000 2.831 436 T HA 0.754 5.104 4.350 0.000 0.000 0.287 436 T C 0.960 175.489 174.700 -0.285 0.000 1.070 436 T CA -0.581 61.315 62.100 -0.339 0.000 1.010 436 T CB 1.022 69.376 68.868 -0.856 0.000 1.264 436 T HN 0.910 nan 8.240 nan 0.000 0.532 437 I N -2.279 118.199 120.570 -0.154 0.000 3.956 437 I HA 0.461 4.631 4.170 0.000 0.000 0.333 437 I C 0.185 176.324 176.117 0.038 0.000 1.302 437 I CA -0.873 60.417 61.300 -0.017 0.000 1.122 437 I CB 0.015 38.077 38.000 0.103 0.000 1.013 437 I HN 0.612 nan 8.210 nan 0.000 0.405 438 W N 0.726 121.988 121.300 -0.063 0.000 3.021 438 W HA 0.752 5.412 4.660 0.000 0.000 0.337 438 W C -1.306 175.154 176.519 -0.097 0.000 1.171 438 W CA -1.136 56.169 57.345 -0.066 0.000 1.060 438 W CB 0.653 30.076 29.460 -0.062 0.000 1.472 438 W HN -0.314 nan 8.180 nan 0.000 0.594 439 T N 1.537 116.245 114.554 0.257 0.000 3.071 439 T HA 0.446 4.796 4.350 0.000 0.000 0.311 439 T C -1.329 173.544 174.700 0.289 0.000 1.042 439 T CA -0.255 61.896 62.100 0.085 0.000 1.028 439 T CB 1.850 70.700 68.868 -0.031 0.000 1.068 439 T HN 0.589 nan 8.240 nan 0.000 0.451 440 S N 1.263 117.143 115.700 0.299 0.000 2.565 440 S HA 0.858 5.328 4.470 0.000 0.000 0.269 440 S C -1.037 173.650 174.600 0.145 0.000 1.153 440 S CA -0.440 57.889 58.200 0.215 0.000 0.835 440 S CB 1.664 64.986 63.200 0.202 0.000 1.122 440 S HN 1.086 nan 8.310 nan 0.000 0.462 441 G N 1.148 109.997 108.800 0.081 0.000 2.571 441 G HA2 0.618 4.579 3.960 0.000 0.000 0.304 441 G HA3 0.618 4.579 3.960 0.000 0.000 0.304 441 G C -0.936 173.993 174.900 0.048 0.000 1.314 441 G CA -0.409 44.738 45.100 0.078 0.000 0.975 441 G HN 0.697 nan 8.290 nan 0.000 0.485 442 S N -0.655 115.091 115.700 0.077 0.000 2.730 442 S HA 0.825 5.295 4.470 0.000 0.000 0.284 442 S C 0.351 174.994 174.600 0.072 0.000 1.153 442 S CA -0.420 57.810 58.200 0.050 0.000 0.995 442 S CB 1.463 64.711 63.200 0.081 0.000 1.058 442 S HN 1.256 nan 8.310 nan 0.000 0.552 443 S N 0.161 115.887 115.700 0.044 0.000 2.595 443 S HA 0.840 5.311 4.470 0.000 0.000 0.281 443 S C -0.850 173.790 174.600 0.067 0.000 1.117 443 S CA -0.926 57.323 58.200 0.082 0.000 0.873 443 S CB 0.878 64.083 63.200 0.008 0.000 1.108 443 S HN 0.754 nan 8.310 nan 0.000 0.477 444 I N -0.973 119.668 120.570 0.118 0.000 2.894 444 I HA 0.887 5.058 4.170 0.000 0.000 0.302 444 I C -0.858 175.279 176.117 0.034 0.000 1.188 444 I CA -0.952 60.356 61.300 0.013 0.000 1.014 444 I CB 2.257 40.314 38.000 0.095 0.000 1.242 444 I HN 0.892 nan 8.210 nan 0.000 0.430 445 S N 2.213 117.776 115.700 -0.230 0.000 2.556 445 S HA 0.845 5.315 4.470 0.000 0.000 0.271 445 S C -1.370 172.903 174.600 -0.544 0.000 1.135 445 S CA -0.614 57.527 58.200 -0.098 0.000 0.858 445 S CB 1.832 65.188 63.200 0.259 0.000 1.114 445 S HN 0.564 nan 8.310 nan 0.000 0.468 446 F N -0.406 119.275 119.950 -0.449 0.000 2.613 446 F HA 0.778 5.305 4.527 0.000 0.000 0.314 446 F C -0.021 175.625 175.800 -0.256 0.000 1.075 446 F CA -0.911 56.871 58.000 -0.362 0.000 0.945 446 F CB 1.718 40.430 39.000 -0.480 0.000 1.310 446 F HN 0.826 nan 8.300 nan 0.000 0.467 447 c N 0.580 119.237 118.600 0.094 0.000 2.779 447 c HA 0.694 5.264 4.570 0.000 0.000 0.314 447 c C 1.518 175.568 174.090 -0.067 0.000 1.231 447 c CA -0.233 56.069 56.329 -0.045 0.000 1.652 447 c CB 1.347 43.680 42.510 -0.295 0.000 2.198 447 c HN 1.087 nan 8.230 nan 0.000 0.483 448 G N 0.856 109.458 108.800 -0.330 0.000 3.084 448 G HA2 0.116 4.076 3.960 0.000 0.000 0.202 448 G HA3 0.116 4.076 3.960 0.000 0.000 0.202 448 G C 0.174 174.709 174.900 -0.609 0.000 1.239 448 G CA 1.742 46.400 45.100 -0.736 0.000 0.779 448 G HN 1.509 nan 8.290 nan 0.000 0.908 449 V N -1.212 118.452 119.914 -0.417 0.000 3.256 449 V HA -0.164 3.956 4.120 0.000 0.000 0.469 449 V C 0.550 176.463 176.094 -0.301 0.000 0.682 449 V CA 0.456 62.578 62.300 -0.298 0.000 2.010 449 V CB -0.844 30.844 31.823 -0.224 0.000 2.471 449 V HN 0.822 nan 8.190 nan 0.000 0.498 450 N N 1.104 119.681 118.700 -0.205 0.000 2.305 450 N HA 0.041 4.781 4.740 0.000 0.000 0.179 450 N C 1.016 176.448 175.510 -0.131 0.000 1.019 450 N CA 1.050 53.997 53.050 -0.172 0.000 0.869 450 N CB -0.028 38.382 38.487 -0.128 0.000 1.000 450 N HN 0.989 nan 8.380 nan 0.000 0.431 451 S N 0.113 115.752 115.700 -0.101 0.000 2.612 451 S HA 0.071 4.541 4.470 0.000 0.000 0.253 451 S C 0.062 174.625 174.600 -0.062 0.000 1.346 451 S CA -0.449 57.712 58.200 -0.065 0.000 0.976 451 S CB 0.411 63.583 63.200 -0.046 0.000 0.949 451 S HN 0.182 nan 8.310 nan 0.000 0.584 452 D N -1.097 119.287 120.400 -0.027 0.000 2.385 452 D HA 0.677 5.317 4.640 0.000 0.000 0.254 452 D C 0.005 176.323 176.300 0.030 0.000 1.053 452 D CA -0.237 53.760 54.000 -0.005 0.000 0.992 452 D CB 1.524 42.332 40.800 0.014 0.000 1.145 452 D HN 0.642 nan 8.370 nan 0.000 0.523 453 T N -0.800 113.796 114.554 0.071 0.000 2.633 453 T HA 0.707 5.057 4.350 0.000 0.000 0.262 453 T C -0.860 173.939 174.700 0.165 0.000 0.920 453 T CA -0.660 61.522 62.100 0.138 0.000 1.062 453 T CB 0.929 69.916 68.868 0.198 0.000 1.390 453 T HN 0.222 nan 8.240 nan 0.000 0.549 454 V N -0.595 119.468 119.914 0.248 0.000 3.087 454 V HA 0.787 4.907 4.120 0.000 0.000 0.306 454 V C 0.171 176.477 176.094 0.353 0.000 1.187 454 V CA -1.194 61.243 62.300 0.228 0.000 0.999 454 V CB 1.818 33.722 31.823 0.134 0.000 1.049 454 V HN 1.147 nan 8.190 nan 0.000 0.431 455 G N 0.041 109.018 108.800 0.296 0.000 2.425 455 G HA2 0.628 4.588 3.960 0.000 0.000 0.302 455 G HA3 0.628 4.588 3.960 0.000 0.000 0.302 455 G C -1.574 173.531 174.900 0.343 0.000 1.159 455 G CA -0.099 45.213 45.100 0.353 0.000 0.865 455 G HN 0.781 nan 8.290 nan 0.000 0.515 456 W N -0.437 120.867 121.300 0.006 0.000 2.733 456 W HA 0.585 5.245 4.660 0.000 0.000 0.441 456 W C -1.067 175.284 176.519 -0.281 0.000 1.036 456 W CA -0.892 56.263 57.345 -0.317 0.000 1.208 456 W CB 1.096 30.063 29.460 -0.821 0.000 1.454 456 W HN 0.679 nan 8.180 nan 0.000 0.610 457 S N 1.519 116.768 115.700 -0.752 0.000 2.561 457 S HA 0.584 5.054 4.470 0.000 0.000 0.303 457 S C -1.464 172.738 174.600 -0.664 0.000 1.110 457 S CA -0.415 57.502 58.200 -0.472 0.000 1.034 457 S CB 0.413 63.374 63.200 -0.398 0.000 1.010 457 S HN 0.337 nan 8.310 nan 0.000 0.482 458 W N 6.662 127.962 121.300 -0.000 0.000 1.986 458 W HA 0.278 4.938 4.660 0.000 0.000 0.287 458 W C -2.543 174.012 176.519 0.060 0.000 0.866 458 W CA -1.735 55.627 57.345 0.027 0.000 2.056 458 W CB 0.657 30.243 29.460 0.210 0.000 2.290 458 W HN 0.539 nan 8.180 nan 0.000 0.396 459 P HA -0.045 nan 4.420 nan 0.000 0.275 459 P C 0.930 178.325 177.300 0.158 0.000 1.270 459 P CA 0.289 63.474 63.100 0.143 0.000 0.791 459 P CB 1.641 33.372 31.700 0.052 0.000 1.089 460 D N 0.084 120.585 120.400 0.167 0.000 2.097 460 D HA -0.148 4.493 4.640 0.000 0.000 0.195 460 D C 1.230 177.615 176.300 0.141 0.000 0.989 460 D CA 2.025 56.123 54.000 0.163 0.000 0.827 460 D CB -0.648 40.265 40.800 0.188 0.000 0.966 460 D HN 0.697 nan 8.370 nan 0.000 0.456 461 G N 0.433 109.313 108.800 0.133 0.000 2.143 461 G HA2 -0.167 3.793 3.960 0.000 0.000 0.249 461 G HA3 -0.167 3.793 3.960 0.000 0.000 0.249 461 G C 0.304 175.291 174.900 0.145 0.000 0.981 461 G CA 0.633 45.802 45.100 0.115 0.000 0.665 461 G HN 0.757 nan 8.290 nan 0.000 0.528 462 A N -0.079 122.857 122.820 0.192 0.000 2.310 462 A HA 0.691 5.011 4.320 0.000 0.000 0.299 462 A C 0.269 178.019 177.584 0.278 0.000 1.147 462 A CA -0.279 51.920 52.037 0.270 0.000 0.818 462 A CB 0.532 19.734 19.000 0.337 0.000 1.096 462 A HN 0.412 nan 8.150 nan 0.000 0.495 463 E N 2.073 122.461 120.200 0.314 0.000 2.044 463 E HA 0.384 4.734 4.350 0.000 0.000 0.282 463 E C -0.857 175.969 176.600 0.377 0.000 1.031 463 E CA -0.013 56.545 56.400 0.263 0.000 0.824 463 E CB 0.745 30.551 29.700 0.177 0.000 1.076 463 E HN 0.539 nan 8.360 nan 0.000 0.395 464 L N 4.224 125.616 121.223 0.282 0.000 2.352 464 L HA 0.519 4.859 4.340 0.000 0.000 0.269 464 L C -1.528 175.456 176.870 0.190 0.000 1.034 464 L CA -2.041 52.960 54.840 0.268 0.000 0.806 464 L CB 0.472 42.582 42.059 0.084 0.000 1.244 464 L HN 0.407 nan 8.230 nan 0.000 0.447 465 P HA 0.268 nan 4.420 nan 0.000 0.274 465 P C -0.937 176.648 177.300 0.474 0.000 1.256 465 P CA -0.359 62.890 63.100 0.248 0.000 0.795 465 P CB 0.754 32.545 31.700 0.152 0.000 1.038 466 F N -0.418 119.694 119.950 0.269 0.000 2.348 466 F HA 0.150 4.677 4.527 0.000 0.000 0.308 466 F C 2.134 178.013 175.800 0.132 0.000 1.175 466 F CA -0.894 57.225 58.000 0.199 0.000 1.080 466 F CB -0.625 38.498 39.000 0.204 0.000 1.341 466 F HN 0.230 nan 8.300 nan 0.000 0.518 467 T N 1.905 116.574 114.554 0.192 0.000 3.093 467 T HA -0.013 4.337 4.350 0.000 0.000 0.270 467 T C 0.733 175.520 174.700 0.146 0.000 1.170 467 T CA 0.798 62.960 62.100 0.103 0.000 1.072 467 T CB -0.972 67.905 68.868 0.015 0.000 0.863 467 T HN 0.352 nan 8.240 nan 0.000 0.562 468 I N 0.000 120.723 120.570 0.255 0.000 2.984 468 I HA 0.000 4.170 4.170 0.000 0.000 0.288 468 I CA 0.000 61.452 61.300 0.254 0.000 1.566 468 I CB 0.000 38.106 38.000 0.176 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494