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 2hu0_1_C 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 0.000 176.033 176.094 -0.102 0.000 1.182 83 V CA 0.000 62.249 62.300 -0.085 0.000 1.235 83 V CB 0.000 31.791 31.823 -0.054 0.000 1.184 84 K N 3.342 123.708 120.400 -0.056 0.000 2.489 84 K HA 0.258 4.578 4.320 0.000 0.000 0.278 84 K C -0.267 176.322 176.600 -0.019 0.000 1.000 84 K CA -0.268 55.997 56.287 -0.036 0.000 1.012 84 K CB 0.314 32.806 32.500 -0.014 0.000 0.903 84 K HN 0.400 nan 8.250 nan 0.000 0.485 85 L N 2.914 124.137 121.223 0.000 0.000 2.462 85 L HA 0.052 4.392 4.340 0.000 0.000 0.272 85 L C -0.065 176.828 176.870 0.038 0.000 1.166 85 L CA 0.682 55.540 54.840 0.029 0.000 0.880 85 L CB 0.106 42.201 42.059 0.060 0.000 1.142 85 L HN 0.755 nan 8.230 nan 0.000 0.473 86 A N 3.605 126.445 122.820 0.033 0.000 2.276 86 A HA 0.598 4.918 4.320 0.000 0.000 0.300 86 A C 0.796 178.404 177.584 0.040 0.000 1.235 86 A CA 0.072 52.129 52.037 0.034 0.000 0.867 86 A CB 0.341 19.355 19.000 0.022 0.000 1.137 86 A HN 0.872 nan 8.150 nan 0.000 0.527 87 G N 1.320 110.147 108.800 0.046 0.000 4.125 87 G HA2 0.161 4.121 3.960 0.000 0.000 0.301 87 G HA3 0.161 4.121 3.960 0.000 0.000 0.301 87 G C 0.494 175.405 174.900 0.018 0.000 1.273 87 G CA 0.190 45.315 45.100 0.042 0.000 1.095 87 G HN 0.939 nan 8.290 nan 0.000 0.582 88 N N -0.594 118.114 118.700 0.013 0.000 2.395 88 N HA -0.024 4.716 4.740 0.000 0.000 0.175 88 N C 1.458 176.965 175.510 -0.006 0.000 1.029 88 N CA 0.287 53.337 53.050 0.001 0.000 0.897 88 N CB 0.074 38.563 38.487 0.004 0.000 0.991 88 N HN 0.242 nan 8.380 nan 0.000 0.441 89 S N -0.050 115.649 115.700 -0.002 0.000 2.626 89 S HA 0.331 4.801 4.470 0.000 0.000 0.257 89 S C 0.129 174.721 174.600 -0.014 0.000 1.288 89 S CA -0.761 57.434 58.200 -0.007 0.000 0.980 89 S CB 1.326 64.523 63.200 -0.005 0.000 0.975 89 S HN 0.118 nan 8.310 nan 0.000 0.577 90 S N -0.312 115.375 115.700 -0.021 0.000 2.704 90 S HA 0.532 5.002 4.470 0.000 0.000 0.305 90 S C -0.110 174.462 174.600 -0.046 0.000 1.107 90 S CA -0.877 57.301 58.200 -0.035 0.000 0.993 90 S CB 0.496 63.674 63.200 -0.037 0.000 1.110 90 S HN 0.600 nan 8.310 nan 0.000 0.534 91 L N 1.429 122.595 121.223 -0.095 0.000 2.485 91 L HA 0.121 4.461 4.340 0.000 0.000 0.275 91 L C 0.008 176.867 176.870 -0.019 0.000 1.207 91 L CA -0.457 54.309 54.840 -0.124 0.000 0.855 91 L CB -0.164 41.676 42.059 -0.364 0.000 1.114 91 L HN 0.640 nan 8.230 nan 0.000 0.485 92 c N 3.718 122.299 118.600 -0.031 0.000 2.662 92 c HA 0.195 4.765 4.570 0.000 0.000 0.420 92 c C -1.497 172.610 174.090 0.029 0.000 1.314 92 c CA -1.078 55.236 56.329 -0.026 0.000 1.963 92 c CB -0.458 41.990 42.510 -0.102 0.000 2.686 92 c HN 0.540 nan 8.230 nan 0.000 0.609 93 P HA 0.400 nan 4.420 nan 0.000 0.271 93 P C -0.742 176.401 177.300 -0.262 0.000 1.216 93 P CA 0.395 63.425 63.100 -0.116 0.000 0.776 93 P CB 0.585 32.228 31.700 -0.094 0.000 0.881 94 I N -1.092 119.217 120.570 -0.435 0.000 2.994 94 I HA 0.468 4.638 4.170 0.000 0.000 0.306 94 I C 0.162 176.018 176.117 -0.435 0.000 1.195 94 I CA -1.019 59.986 61.300 -0.491 0.000 1.001 94 I CB 2.301 39.850 38.000 -0.752 0.000 1.244 94 I HN 0.005 nan 8.210 nan 0.000 0.437 95 N N 1.840 120.322 118.700 -0.363 0.000 2.348 95 N HA 0.363 5.103 4.740 0.000 0.000 0.183 95 N C 0.352 175.753 175.510 -0.181 0.000 1.094 95 N CA 0.640 53.570 53.050 -0.200 0.000 0.885 95 N CB 1.677 40.089 38.487 -0.125 0.000 1.065 95 N HN 0.951 nan 8.380 nan 0.000 0.472 96 G N -0.387 108.108 108.800 -0.508 0.000 2.428 96 G HA2 0.418 4.378 3.960 0.000 0.000 0.305 96 G HA3 0.418 4.378 3.960 0.000 0.000 0.305 96 G C -2.214 172.184 174.900 -0.836 0.000 1.260 96 G CA -0.818 43.980 45.100 -0.503 0.000 0.853 96 G HN 0.083 nan 8.290 nan 0.000 0.480 97 W N 0.419 121.698 121.300 -0.036 0.000 2.781 97 W HA 0.723 5.383 4.660 0.000 0.000 0.333 97 W C 0.151 176.768 176.519 0.164 0.000 1.047 97 W CA -0.568 56.800 57.345 0.039 0.000 1.236 97 W CB 2.232 31.780 29.460 0.146 0.000 1.394 97 W HN 0.772 nan 8.180 nan 0.000 0.466 98 A N 2.738 125.716 122.820 0.264 0.000 2.301 98 A HA 0.693 5.013 4.320 0.000 0.000 0.312 98 A C 0.018 177.688 177.584 0.144 0.000 1.182 98 A CA -0.778 51.379 52.037 0.199 0.000 0.826 98 A CB 0.295 19.343 19.000 0.080 0.000 1.134 98 A HN 0.811 nan 8.150 nan 0.000 0.501 99 V N 0.814 120.685 119.914 -0.072 0.000 2.694 99 V HA -0.005 4.115 4.120 0.000 0.000 0.306 99 V C 0.693 176.592 176.094 -0.326 0.000 1.054 99 V CA 0.555 62.460 62.300 -0.658 0.000 1.161 99 V CB -0.535 30.758 31.823 -0.882 0.000 0.916 99 V HN 0.913 nan 8.190 nan 0.000 0.490 100 Y N 3.012 122.983 120.300 -0.548 0.000 2.539 100 Y HA 0.364 4.914 4.550 0.000 0.000 0.284 100 Y C 1.274 177.029 175.900 -0.241 0.000 1.134 100 Y CA 0.572 58.515 58.100 -0.262 0.000 1.251 100 Y CB 0.622 39.018 38.460 -0.107 0.000 1.260 100 Y HN 1.061 nan 8.280 nan 0.000 0.528 101 S N -0.302 115.197 115.700 -0.336 0.000 2.636 101 S HA 0.512 4.982 4.470 0.000 0.000 0.266 101 S C -1.508 172.929 174.600 -0.272 0.000 1.147 101 S CA -1.015 56.994 58.200 -0.318 0.000 0.815 101 S CB 2.380 65.405 63.200 -0.291 0.000 1.119 101 S HN 0.143 nan 8.310 nan 0.000 0.470 102 K N 0.633 120.928 120.400 -0.175 0.000 2.575 102 K HA 0.260 4.580 4.320 0.000 0.000 0.271 102 K C -1.145 175.420 176.600 -0.059 0.000 1.013 102 K CA -0.195 56.038 56.287 -0.090 0.000 0.939 102 K CB 1.019 33.490 32.500 -0.048 0.000 1.328 102 K HN 0.738 nan 8.250 nan 0.000 0.450 103 D N 2.976 123.350 120.400 -0.043 0.000 2.366 103 D HA -0.015 4.625 4.640 0.000 0.000 0.205 103 D C 0.021 176.304 176.300 -0.028 0.000 1.022 103 D CA 0.423 54.391 54.000 -0.054 0.000 0.868 103 D CB -0.187 40.563 40.800 -0.082 0.000 0.953 103 D HN 0.820 nan 8.370 nan 0.000 0.514 104 N N -0.639 118.066 118.700 0.007 0.000 2.778 104 N HA -0.286 4.454 4.740 0.000 0.000 0.249 104 N C 0.952 176.472 175.510 0.016 0.000 1.069 104 N CA 0.637 53.704 53.050 0.028 0.000 0.831 104 N CB -1.171 37.331 38.487 0.026 0.000 1.142 104 N HN 0.347 nan 8.380 nan 0.000 0.573 105 S N 0.359 116.051 115.700 -0.013 0.000 2.368 105 S HA -0.245 4.225 4.470 0.000 0.000 0.226 105 S C 1.617 176.214 174.600 -0.005 0.000 1.044 105 S CA 1.597 59.770 58.200 -0.044 0.000 1.062 105 S CB -0.477 62.664 63.200 -0.097 0.000 0.931 105 S HN 0.439 nan 8.310 nan 0.000 0.440 106 I N 1.821 122.420 120.570 0.047 0.000 2.179 106 I HA -0.181 3.989 4.170 0.000 0.000 0.242 106 I C 3.130 179.378 176.117 0.219 0.000 1.088 106 I CA 1.528 62.903 61.300 0.125 0.000 1.357 106 I CB -0.406 37.688 38.000 0.156 0.000 1.051 106 I HN 0.243 nan 8.210 nan 0.000 0.409 107 R N 0.885 121.483 120.500 0.164 0.000 2.083 107 R HA -0.134 4.206 4.340 0.000 0.000 0.237 107 R C 2.328 178.652 176.300 0.040 0.000 1.137 107 R CA 1.534 57.714 56.100 0.135 0.000 0.951 107 R CB -0.399 29.958 30.300 0.096 0.000 0.851 107 R HN 0.326 nan 8.270 nan 0.000 0.434 108 I N -0.041 120.536 120.570 0.011 0.000 2.286 108 I HA -0.168 4.002 4.170 0.000 0.000 0.248 108 I C 2.312 178.390 176.117 -0.065 0.000 1.115 108 I CA 1.368 62.647 61.300 -0.035 0.000 1.392 108 I CB -0.580 37.395 38.000 -0.043 0.000 1.065 108 I HN 0.332 nan 8.210 nan 0.000 0.418 109 G N -0.420 108.357 108.800 -0.039 0.000 2.708 109 G HA2 -0.201 3.759 3.960 0.000 0.000 0.210 109 G HA3 -0.201 3.759 3.960 0.000 0.000 0.210 109 G C 1.656 176.488 174.900 -0.113 0.000 1.141 109 G CA 0.804 45.865 45.100 -0.065 0.000 0.788 109 G HN 0.355 nan 8.290 nan 0.000 0.531 110 S N -0.499 115.059 115.700 -0.238 0.000 2.402 110 S HA -0.034 4.436 4.470 0.000 0.000 0.229 110 S C 2.090 176.473 174.600 -0.362 0.000 1.021 110 S CA 1.853 59.689 58.200 -0.607 0.000 0.974 110 S CB -0.092 62.717 63.200 -0.653 0.000 0.800 110 S HN 0.561 nan 8.310 nan 0.000 0.484 111 K N -0.734 119.536 120.400 -0.218 0.000 2.380 111 K HA 0.245 4.565 4.320 0.000 0.000 0.200 111 K C 1.022 177.552 176.600 -0.116 0.000 1.201 111 K CA 0.454 56.649 56.287 -0.152 0.000 0.916 111 K CB 0.002 32.430 32.500 -0.120 0.000 1.187 111 K HN 0.300 nan 8.250 nan 0.000 0.498 112 G N 1.025 109.760 108.800 -0.108 0.000 2.634 112 G HA2 0.074 4.035 3.960 0.000 0.000 0.255 112 G HA3 0.074 4.035 3.960 0.000 0.000 0.255 112 G C -0.856 173.963 174.900 -0.135 0.000 1.205 112 G CA -0.404 44.642 45.100 -0.091 0.000 0.884 112 G HN 0.249 nan 8.290 nan 0.000 0.549 113 D N 0.568 120.874 120.400 -0.157 0.000 2.483 113 D HA 0.274 4.914 4.640 0.000 0.000 0.220 113 D C -0.209 175.818 176.300 -0.455 0.000 1.173 113 D CA 0.193 54.013 54.000 -0.300 0.000 0.964 113 D CB 1.255 41.841 40.800 -0.357 0.000 1.046 113 D HN -0.044 nan 8.370 nan 0.000 0.517 114 V N 2.859 122.556 119.914 -0.362 0.000 2.495 114 V HA 0.316 4.436 4.120 0.000 0.000 0.298 114 V C 0.299 176.199 176.094 -0.322 0.000 1.031 114 V CA -0.894 61.194 62.300 -0.353 0.000 0.871 114 V CB 1.319 33.013 31.823 -0.215 0.000 0.988 114 V HN 0.291 nan 8.190 nan 0.000 0.432 115 F N 2.944 122.743 119.950 -0.253 0.000 2.518 115 F HA 0.212 4.739 4.527 0.000 0.000 0.359 115 F C 0.612 176.287 175.800 -0.208 0.000 1.118 115 F CA 0.189 58.059 58.000 -0.217 0.000 1.287 115 F CB 1.084 39.941 39.000 -0.239 0.000 1.132 115 F HN 0.335 nan 8.300 nan 0.000 0.587 116 V N 6.764 126.747 119.914 0.115 0.000 2.461 116 V HA 0.515 4.635 4.120 0.000 0.000 0.275 116 V C -0.232 175.887 176.094 0.041 0.000 1.047 116 V CA -0.260 62.056 62.300 0.027 0.000 0.955 116 V CB 0.174 32.021 31.823 0.040 0.000 0.988 116 V HN 0.643 nan 8.190 nan 0.000 0.471 117 I N 4.982 125.547 120.570 -0.008 0.000 3.457 117 I HA 0.853 5.023 4.170 0.000 0.000 0.307 117 I C -0.839 175.282 176.117 0.006 0.000 1.138 117 I CA -1.301 59.986 61.300 -0.022 0.000 0.974 117 I CB 2.407 40.303 38.000 -0.174 0.000 1.324 117 I HN 0.434 nan 8.210 nan 0.000 0.485 118 R N 1.039 121.550 120.500 0.019 0.000 2.692 118 R HA 0.258 4.598 4.340 0.000 0.000 0.269 118 R C -1.373 174.941 176.300 0.023 0.000 1.030 118 R CA -0.438 55.657 56.100 -0.007 0.000 0.882 118 R CB 1.497 31.781 30.300 -0.026 0.000 1.250 118 R HN 0.943 nan 8.270 nan 0.000 0.465 119 E N 0.522 120.726 120.200 0.007 0.000 2.272 119 E HA -0.148 4.202 4.350 0.000 0.000 0.160 119 E C -2.047 174.527 176.600 -0.042 0.000 1.627 119 E CA 0.151 56.620 56.400 0.114 0.000 0.641 119 E CB -0.980 28.907 29.700 0.311 0.000 1.060 119 E HN 0.206 nan 8.360 nan 0.000 0.324 120 P HA 0.097 nan 4.420 nan 0.000 0.225 120 P C -0.388 176.406 177.300 -0.844 0.000 1.830 120 P CA -0.405 62.485 63.100 -0.350 0.000 1.051 120 P CB -0.729 30.846 31.700 -0.208 0.000 1.929 121 F N 1.637 121.050 119.950 -0.896 0.000 2.410 121 F HA 0.508 5.035 4.527 0.000 0.000 0.334 121 F C -0.049 175.382 175.800 -0.615 0.000 1.134 121 F CA -1.448 55.733 58.000 -1.365 0.000 1.227 121 F CB 0.227 38.943 39.000 -0.473 0.000 1.194 121 F HN -0.026 nan 8.300 nan 0.000 0.571 122 I N 2.005 122.360 120.570 -0.359 0.000 2.498 122 I HA 0.467 4.637 4.170 0.000 0.000 0.301 122 I C -0.131 176.043 176.117 0.094 0.000 0.984 122 I CA -0.639 60.501 61.300 -0.266 0.000 1.204 122 I CB 1.846 39.341 38.000 -0.842 0.000 1.362 122 I HN 0.806 nan 8.210 nan 0.000 0.471 123 S N 3.851 119.702 115.700 0.252 0.000 2.537 123 S HA 0.623 5.093 4.470 0.000 0.000 0.270 123 S C -1.277 173.689 174.600 0.610 0.000 1.142 123 S CA -0.450 58.054 58.200 0.507 0.000 0.870 123 S CB 1.348 64.940 63.200 0.653 0.000 1.112 123 S HN 0.684 nan 8.310 nan 0.000 0.466 124 c N 2.336 121.269 118.600 0.554 0.000 2.667 124 c HA 0.938 5.508 4.570 0.000 0.000 0.323 124 c C 0.980 175.161 174.090 0.151 0.000 1.214 124 c CA -0.473 56.105 56.329 0.415 0.000 1.721 124 c CB 1.353 44.057 42.510 0.324 0.000 2.275 124 c HN 1.030 nan 8.230 nan 0.000 0.491 125 S N 0.365 116.021 115.700 -0.075 0.000 2.702 125 S HA 0.347 4.817 4.470 0.000 0.000 0.272 125 S C 0.851 175.324 174.600 -0.212 0.000 1.068 125 S CA -0.071 57.785 58.200 -0.572 0.000 0.964 125 S CB -0.045 62.463 63.200 -1.153 0.000 1.307 125 S HN 0.919 nan 8.310 nan 0.000 0.567 126 H N 0.124 118.985 119.070 -0.349 0.000 2.539 126 H HA 0.420 4.976 4.556 0.000 0.000 0.267 126 H C 1.118 176.399 175.328 -0.078 0.000 0.982 126 H CA 0.322 56.296 56.048 -0.124 0.000 1.146 126 H CB -0.326 29.397 29.762 -0.064 0.000 1.382 126 H HN 0.453 nan 8.280 nan 0.000 0.577 127 L N -0.041 120.904 121.223 -0.464 0.000 2.758 127 L HA 0.240 4.580 4.340 0.000 0.000 0.234 127 L C 0.349 177.140 176.870 -0.131 0.000 1.049 127 L CA 0.101 54.739 54.840 -0.336 0.000 0.908 127 L CB 0.662 42.432 42.059 -0.482 0.000 1.362 127 L HN 0.199 nan 8.230 nan 0.000 0.499 128 E N -0.980 119.175 120.200 -0.075 0.000 2.429 128 E HA 0.476 4.826 4.350 0.000 0.000 0.276 128 E C -1.622 175.060 176.600 0.137 0.000 0.953 128 E CA -0.856 55.566 56.400 0.037 0.000 0.787 128 E CB 2.262 31.986 29.700 0.040 0.000 1.307 128 E HN -0.125 nan 8.360 nan 0.000 0.458 129 c N 0.633 119.326 118.600 0.156 0.000 2.435 129 c HA 0.705 5.275 4.570 0.000 0.000 0.333 129 c C -0.322 173.821 174.090 0.089 0.000 1.202 129 c CA -0.462 55.987 56.329 0.202 0.000 1.830 129 c CB 0.732 43.387 42.510 0.242 0.000 2.326 129 c HN 0.636 nan 8.230 nan 0.000 0.507 130 R N 0.590 121.122 120.500 0.054 0.000 2.771 130 R HA 0.603 4.944 4.340 0.000 0.000 0.274 130 R C -1.200 174.933 176.300 -0.279 0.000 0.987 130 R CA -0.491 55.487 56.100 -0.202 0.000 0.908 130 R CB 2.104 32.121 30.300 -0.472 0.000 1.213 130 R HN 0.626 nan 8.270 nan 0.000 0.468 131 T N 2.481 116.790 114.554 -0.408 0.000 2.758 131 T HA 0.460 4.810 4.350 0.000 0.000 0.285 131 T C -0.854 173.458 174.700 -0.647 0.000 0.981 131 T CA -0.219 61.649 62.100 -0.387 0.000 0.965 131 T CB 0.196 68.931 68.868 -0.222 0.000 0.927 131 T HN 0.160 nan 8.240 nan 0.000 0.448 132 F N 4.028 123.511 119.950 -0.778 0.000 2.432 132 F HA 0.786 5.313 4.527 0.000 0.000 0.329 132 F C -0.000 175.211 175.800 -0.982 0.000 1.076 132 F CA -1.053 56.283 58.000 -1.107 0.000 1.018 132 F CB 1.122 39.250 39.000 -1.454 0.000 1.201 132 F HN 0.559 nan 8.300 nan 0.000 0.489 133 F N -0.650 119.007 119.950 -0.489 0.000 2.741 133 F HA 0.695 5.222 4.527 0.000 0.000 0.311 133 F C -2.347 173.306 175.800 -0.244 0.000 1.149 133 F CA -1.739 56.044 58.000 -0.361 0.000 0.930 133 F CB 0.902 39.714 39.000 -0.313 0.000 1.312 133 F HN 0.208 nan 8.300 nan 0.000 0.450 134 L N 1.891 123.191 121.223 0.129 0.000 2.329 134 L HA 0.818 5.158 4.340 0.000 0.000 0.279 134 L C -0.365 176.568 176.870 0.104 0.000 1.014 134 L CA -0.697 54.179 54.840 0.060 0.000 0.814 134 L CB 2.346 44.455 42.059 0.083 0.000 1.257 134 L HN 0.983 nan 8.230 nan 0.000 0.424 135 T N -1.921 112.644 114.554 0.018 0.000 2.907 135 T HA 0.289 4.639 4.350 0.000 0.000 0.292 135 T C 0.114 174.822 174.700 0.015 0.000 1.043 135 T CA -0.816 61.267 62.100 -0.029 0.000 1.003 135 T CB 2.258 70.940 68.868 -0.311 0.000 1.084 135 T HN 0.435 nan 8.240 nan 0.000 0.483 136 Q N 0.370 120.209 119.800 0.065 0.000 2.365 136 Q HA 0.208 4.548 4.340 0.000 0.000 0.203 136 Q C 1.273 177.342 176.000 0.115 0.000 0.929 136 Q CA 0.720 56.592 55.803 0.114 0.000 0.948 136 Q CB 0.277 29.091 28.738 0.126 0.000 1.043 136 Q HN 1.301 nan 8.270 nan 0.000 0.505 137 G N 0.741 109.588 108.800 0.079 0.000 2.212 137 G HA2 -0.177 3.783 3.960 0.000 0.000 0.255 137 G HA3 -0.177 3.783 3.960 0.000 0.000 0.255 137 G C -0.073 174.907 174.900 0.133 0.000 1.062 137 G CA 0.297 45.459 45.100 0.102 0.000 0.815 137 G HN 0.543 nan 8.290 nan 0.000 0.497 138 A N -0.795 122.156 122.820 0.219 0.000 2.587 138 A HA 0.908 5.228 4.320 0.000 0.000 0.293 138 A C -0.464 177.209 177.584 0.149 0.000 1.087 138 A CA -0.758 51.375 52.037 0.159 0.000 0.692 138 A CB 1.424 20.510 19.000 0.142 0.000 1.291 138 A HN 0.820 nan 8.150 nan 0.000 0.407 139 L N 1.086 122.327 121.223 0.030 0.000 2.330 139 L HA 0.492 4.832 4.340 0.000 0.000 0.271 139 L C -0.367 176.433 176.870 -0.117 0.000 1.013 139 L CA -0.879 53.912 54.840 -0.083 0.000 0.816 139 L CB 1.577 43.533 42.059 -0.172 0.000 1.287 139 L HN 0.658 nan 8.230 nan 0.000 0.435 140 L N 2.669 123.783 121.223 -0.181 0.000 2.514 140 L HA -0.021 4.319 4.340 0.000 0.000 0.280 140 L C 0.959 177.711 176.870 -0.196 0.000 1.223 140 L CA 0.268 54.939 54.840 -0.281 0.000 0.864 140 L CB -0.163 41.751 42.059 -0.243 0.000 1.118 140 L HN 0.769 nan 8.230 nan 0.000 0.494 141 N N 0.828 119.395 118.700 -0.221 0.000 2.782 141 N HA -0.196 4.544 4.740 0.000 0.000 0.251 141 N C -0.512 174.963 175.510 -0.059 0.000 1.101 141 N CA 1.148 54.151 53.050 -0.078 0.000 0.764 141 N CB -0.697 37.749 38.487 -0.069 0.000 1.122 141 N HN 0.840 nan 8.380 nan 0.000 0.561 142 D N -0.338 120.026 120.400 -0.060 0.000 2.340 142 D HA 0.306 4.946 4.640 0.000 0.000 0.240 142 D C 1.374 177.658 176.300 -0.027 0.000 1.001 142 D CA -0.496 53.489 54.000 -0.024 0.000 0.888 142 D CB 0.966 41.776 40.800 0.017 0.000 1.310 142 D HN 0.126 nan 8.370 nan 0.000 0.474 143 K N 1.149 121.497 120.400 -0.088 0.000 2.218 143 K HA -0.224 4.096 4.320 0.000 0.000 0.205 143 K C 0.974 177.475 176.600 -0.166 0.000 1.046 143 K CA 1.270 57.467 56.287 -0.149 0.000 0.933 143 K CB -0.263 32.090 32.500 -0.244 0.000 0.728 143 K HN 0.496 nan 8.250 nan 0.000 0.454 144 H N 1.160 120.238 119.070 0.014 0.000 2.563 144 H HA 0.039 4.595 4.556 0.000 0.000 0.272 144 H C 1.490 176.842 175.328 0.040 0.000 1.005 144 H CA 1.201 57.260 56.048 0.018 0.000 1.171 144 H CB 0.181 29.942 29.762 -0.002 0.000 1.351 144 H HN 0.468 nan 8.280 nan 0.000 0.602 145 S N 0.361 116.136 115.700 0.125 0.000 2.701 145 S HA -0.079 4.391 4.470 0.000 0.000 0.220 145 S C 1.684 176.389 174.600 0.176 0.000 0.954 145 S CA -0.096 58.183 58.200 0.131 0.000 0.936 145 S CB -0.072 63.155 63.200 0.044 0.000 0.777 145 S HN 0.239 nan 8.310 nan 0.000 0.518 146 N N 2.489 121.266 118.700 0.129 0.000 2.132 146 N HA -0.148 4.592 4.740 0.000 0.000 0.191 146 N C 1.718 177.293 175.510 0.108 0.000 1.015 146 N CA 1.849 54.964 53.050 0.108 0.000 0.864 146 N CB -1.048 37.475 38.487 0.060 0.000 1.006 146 N HN 0.729 nan 8.380 nan 0.000 0.430 147 G N -1.424 107.444 108.800 0.113 0.000 2.328 147 G HA2 -0.406 3.554 3.960 0.000 0.000 0.256 147 G HA3 -0.406 3.554 3.960 0.000 0.000 0.256 147 G C 1.131 176.063 174.900 0.053 0.000 1.014 147 G CA 1.768 46.927 45.100 0.097 0.000 0.620 147 G HN 0.587 nan 8.290 nan 0.000 0.530 148 T N -0.312 114.266 114.554 0.040 0.000 2.918 148 T HA 0.127 4.477 4.350 0.000 0.000 0.271 148 T C 1.442 176.157 174.700 0.024 0.000 1.104 148 T CA 1.025 63.137 62.100 0.020 0.000 1.114 148 T CB -0.535 68.341 68.868 0.014 0.000 0.855 148 T HN 1.158 nan 8.240 nan 0.000 0.518 149 V N 3.044 122.986 119.914 0.047 0.000 2.872 149 V HA -0.012 4.108 4.120 0.000 0.000 0.302 149 V C 0.891 176.996 176.094 0.018 0.000 1.166 149 V CA -0.586 61.744 62.300 0.051 0.000 1.298 149 V CB -0.465 31.416 31.823 0.097 0.000 0.894 149 V HN 0.694 nan 8.190 nan 0.000 0.509 150 K N 3.397 123.792 120.400 -0.007 0.000 2.518 150 K HA 0.010 4.330 4.320 0.000 0.000 0.276 150 K C 0.511 177.078 176.600 -0.055 0.000 0.974 150 K CA 0.044 56.301 56.287 -0.049 0.000 0.986 150 K CB 0.264 32.714 32.500 -0.085 0.000 0.901 150 K HN 0.573 nan 8.250 nan 0.000 0.497 151 D N 1.580 121.934 120.400 -0.077 0.000 2.182 151 D HA -0.148 4.492 4.640 0.000 0.000 0.201 151 D C 0.119 176.350 176.300 -0.115 0.000 0.986 151 D CA 1.451 55.412 54.000 -0.064 0.000 0.847 151 D CB 0.107 40.869 40.800 -0.063 0.000 0.942 151 D HN 0.469 nan 8.370 nan 0.000 0.467 152 R N 1.068 121.394 120.500 -0.290 0.000 2.575 152 R HA 0.231 4.571 4.340 0.000 0.000 0.281 152 R C -0.130 175.992 176.300 -0.296 0.000 1.272 152 R CA -0.247 55.510 56.100 -0.570 0.000 1.417 152 R CB 1.126 30.569 30.300 -1.429 0.000 1.121 152 R HN -0.035 nan 8.270 nan 0.000 0.583 153 S N 0.555 116.224 115.700 -0.052 0.000 2.651 153 S HA 0.418 4.888 4.470 0.000 0.000 0.291 153 S C -1.527 173.073 174.600 0.001 0.000 1.141 153 S CA -1.386 56.787 58.200 -0.044 0.000 1.027 153 S CB 1.598 64.797 63.200 -0.001 0.000 1.043 153 S HN 0.235 nan 8.310 nan 0.000 0.530 154 P HA -0.007 nan 4.420 nan 0.000 0.239 154 P C 0.277 177.489 177.300 -0.146 0.000 1.184 154 P CA 0.971 63.985 63.100 -0.143 0.000 0.760 154 P CB -0.413 31.165 31.700 -0.203 0.000 0.884 155 H N -1.713 117.419 119.070 0.102 0.000 2.563 155 H HA 0.200 4.756 4.556 0.000 0.000 0.264 155 H C 1.002 176.382 175.328 0.086 0.000 0.957 155 H CA -0.467 55.629 56.048 0.080 0.000 1.173 155 H CB -0.002 29.796 29.762 0.059 0.000 1.420 155 H HN -0.068 nan 8.280 nan 0.000 0.551 156 R N 2.532 123.147 120.500 0.192 0.000 2.484 156 R HA 0.037 4.377 4.340 0.000 0.000 0.293 156 R C -0.322 176.036 176.300 0.097 0.000 1.023 156 R CA 0.417 56.611 56.100 0.156 0.000 1.037 156 R CB 0.207 30.637 30.300 0.217 0.000 0.951 156 R HN 0.293 nan 8.270 nan 0.000 0.418 157 T N 1.544 116.112 114.554 0.023 0.000 2.900 157 T HA 0.425 4.775 4.350 0.000 0.000 0.295 157 T C -0.914 173.661 174.700 -0.208 0.000 1.044 157 T CA -1.067 60.998 62.100 -0.059 0.000 0.995 157 T CB 1.341 70.229 68.868 0.035 0.000 1.072 157 T HN 0.328 nan 8.240 nan 0.000 0.473 158 L N 3.253 124.278 121.223 -0.330 0.000 2.290 158 L HA 0.694 5.034 4.340 0.000 0.000 0.284 158 L C -0.604 175.886 176.870 -0.634 0.000 1.078 158 L CA -0.040 54.559 54.840 -0.402 0.000 0.815 158 L CB -0.065 41.819 42.059 -0.292 0.000 1.162 158 L HN 0.836 nan 8.230 nan 0.000 0.435 159 M N 3.280 122.371 119.600 -0.848 0.000 2.779 159 M HA 0.661 5.141 4.480 0.000 0.000 0.277 159 M C -0.675 174.754 176.300 -1.451 0.000 1.284 159 M CA -0.772 53.929 55.300 -0.998 0.000 0.801 159 M CB 2.326 34.449 32.600 -0.795 0.000 1.712 159 M HN 0.596 nan 8.290 nan 0.000 0.453 160 S N 0.197 115.247 115.700 -1.084 0.000 2.537 160 S HA 0.870 5.340 4.470 0.000 0.000 0.270 160 S C -0.962 173.326 174.600 -0.519 0.000 1.142 160 S CA -0.806 56.728 58.200 -1.109 0.000 0.870 160 S CB 1.595 63.710 63.200 -1.807 0.000 1.112 160 S HN 1.121 nan 8.310 nan 0.000 0.466 161 C N -0.602 118.516 119.300 -0.303 0.000 3.285 161 C HA 0.895 5.355 4.460 0.000 0.000 0.320 161 C C -2.921 171.940 174.990 -0.215 0.000 1.411 161 C CA -2.165 56.755 59.018 -0.164 0.000 1.429 161 C CB 1.055 28.798 27.740 0.004 0.000 1.812 161 C HN 0.737 nan 8.230 nan 0.000 0.454 162 P HA 0.150 nan 4.420 nan 0.000 0.269 162 P C -0.062 177.155 177.300 -0.139 0.000 1.209 162 P CA 0.473 63.490 63.100 -0.139 0.000 0.776 162 P CB 0.302 31.945 31.700 -0.097 0.000 0.876 163 V N 2.259 122.091 119.914 -0.137 0.000 2.681 163 V HA 0.143 4.264 4.120 0.000 0.000 0.306 163 V C 1.900 177.899 176.094 -0.158 0.000 1.077 163 V CA 1.994 64.206 62.300 -0.147 0.000 1.224 163 V CB -0.845 30.899 31.823 -0.132 0.000 0.879 163 V HN 1.096 nan 8.190 nan 0.000 0.494 164 G N 3.429 112.139 108.800 -0.150 0.000 2.217 164 G HA2 -0.197 3.763 3.960 0.000 0.000 0.246 164 G HA3 -0.197 3.763 3.960 0.000 0.000 0.246 164 G C 0.028 174.860 174.900 -0.112 0.000 0.990 164 G CA 0.176 45.189 45.100 -0.144 0.000 0.627 164 G HN 0.682 nan 8.290 nan 0.000 0.522 165 E N 0.595 120.729 120.200 -0.108 0.000 2.242 165 E HA 0.618 4.968 4.350 0.000 0.000 0.275 165 E C 0.487 177.023 176.600 -0.107 0.000 1.002 165 E CA -0.153 56.191 56.400 -0.093 0.000 0.841 165 E CB 1.522 31.173 29.700 -0.082 0.000 1.109 165 E HN 0.593 nan 8.360 nan 0.000 0.394 166 A N 4.093 126.851 122.820 -0.103 0.000 2.450 166 A HA 0.245 4.565 4.320 0.000 0.000 0.255 166 A C -2.093 175.390 177.584 -0.168 0.000 1.096 166 A CA -1.295 50.660 52.037 -0.136 0.000 0.778 166 A CB -0.165 18.766 19.000 -0.116 0.000 1.031 166 A HN 0.337 nan 8.150 nan 0.000 0.494 167 P HA 0.086 nan 4.420 nan 0.000 0.274 167 P C 0.157 177.366 177.300 -0.151 0.000 1.291 167 P CA 0.381 63.319 63.100 -0.269 0.000 0.815 167 P CB 1.033 32.169 31.700 -0.939 0.000 0.897 168 S N 3.533 119.136 115.700 -0.162 0.000 4.149 168 S HA 0.166 4.636 4.470 0.000 0.000 0.195 168 S C 1.094 175.426 174.600 -0.447 0.000 1.092 168 S CA -0.160 57.727 58.200 -0.521 0.000 1.650 168 S CB -0.651 62.262 63.200 -0.478 0.000 1.076 168 S HN 0.381 nan 8.310 nan 0.000 0.805 169 Y N 2.804 123.062 120.300 -0.070 0.000 4.465 169 Y HA -0.316 4.234 4.550 0.000 0.000 0.289 169 Y C 1.399 177.288 175.900 -0.019 0.000 0.921 169 Y CA 1.307 59.382 58.100 -0.043 0.000 2.323 169 Y CB -1.733 36.685 38.460 -0.069 0.000 1.326 169 Y HN 0.780 nan 8.280 nan 0.000 0.532 170 N N -0.953 117.804 118.700 0.095 0.000 2.159 170 N HA 0.108 4.849 4.740 0.000 0.000 0.217 170 N C -0.618 174.923 175.510 0.051 0.000 1.223 170 N CA 0.298 53.383 53.050 0.057 0.000 0.896 170 N CB 0.320 38.819 38.487 0.021 0.000 1.064 170 N HN 0.075 nan 8.380 nan 0.000 0.518 171 S N 0.748 116.515 115.700 0.111 0.000 2.541 171 S HA 0.328 4.798 4.470 0.000 0.000 0.283 171 S C -0.181 174.447 174.600 0.045 0.000 1.196 171 S CA -0.821 57.449 58.200 0.117 0.000 1.062 171 S CB 2.191 65.602 63.200 0.352 0.000 1.009 171 S HN 0.244 nan 8.310 nan 0.000 0.502 172 R N 1.734 122.183 120.500 -0.084 0.000 2.404 172 R HA 0.308 4.648 4.340 0.000 0.000 0.291 172 R C -0.950 175.291 176.300 -0.099 0.000 1.025 172 R CA -0.516 55.539 56.100 -0.075 0.000 0.991 172 R CB 0.455 30.670 30.300 -0.142 0.000 1.053 172 R HN 0.603 nan 8.270 nan 0.000 0.479 173 F N 3.576 123.458 119.950 -0.113 0.000 2.443 173 F HA 0.109 4.636 4.527 0.000 0.000 0.353 173 F C 0.679 176.401 175.800 -0.130 0.000 1.101 173 F CA 0.268 58.195 58.000 -0.122 0.000 1.226 173 F CB 0.984 39.944 39.000 -0.067 0.000 1.140 173 F HN 0.644 nan 8.300 nan 0.000 0.557 174 E N 2.376 121.956 120.200 -1.033 0.000 2.279 174 E HA 0.167 4.517 4.350 0.000 0.000 0.199 174 E C -0.133 176.061 176.600 -0.678 0.000 0.893 174 E CA 0.303 56.339 56.400 -0.608 0.000 0.978 174 E CB 0.627 30.094 29.700 -0.389 0.000 0.964 174 E HN 0.479 nan 8.360 nan 0.000 0.486 175 S N -0.534 114.525 115.700 -1.069 0.000 2.595 175 S HA 0.303 4.773 4.470 0.000 0.000 0.270 175 S C -1.527 172.868 174.600 -0.342 0.000 1.145 175 S CA -0.631 57.260 58.200 -0.515 0.000 0.825 175 S CB 1.408 64.468 63.200 -0.233 0.000 1.107 175 S HN -0.094 nan 8.310 nan 0.000 0.461 176 V N 2.372 122.306 119.914 0.033 0.000 2.455 176 V HA 0.752 4.872 4.120 0.000 0.000 0.273 176 V C 0.427 176.476 176.094 -0.075 0.000 1.045 176 V CA 0.564 62.909 62.300 0.075 0.000 0.976 176 V CB 0.056 31.946 31.823 0.112 0.000 0.993 176 V HN 1.061 nan 8.190 nan 0.000 0.475 177 A N 5.489 128.259 122.820 -0.083 0.000 2.582 177 A HA 0.592 4.912 4.320 0.000 0.000 0.297 177 A C -0.362 177.204 177.584 -0.031 0.000 1.059 177 A CA -0.719 51.211 52.037 -0.179 0.000 0.705 177 A CB 1.072 19.954 19.000 -0.197 0.000 1.279 177 A HN 0.987 nan 8.150 nan 0.000 0.404 178 W N 1.311 122.616 121.300 0.008 0.000 3.005 178 W HA 0.546 5.206 4.660 0.000 0.000 0.374 178 W C 0.002 176.548 176.519 0.047 0.000 1.076 178 W CA 0.318 57.677 57.345 0.024 0.000 1.794 178 W CB 0.164 29.636 29.460 0.019 0.000 1.113 178 W HN 0.935 nan 8.180 nan 0.000 0.584 179 S N 0.922 116.686 115.700 0.106 0.000 2.535 179 S HA 0.728 5.198 4.470 0.000 0.000 0.272 179 S C -1.113 173.497 174.600 0.016 0.000 1.149 179 S CA 0.076 58.368 58.200 0.153 0.000 0.888 179 S CB 1.407 64.736 63.200 0.215 0.000 1.110 179 S HN 0.450 nan 8.310 nan 0.000 0.463 180 A N 1.886 124.762 122.820 0.093 0.000 2.564 180 A HA 0.948 5.268 4.320 0.000 0.000 0.291 180 A C -0.599 177.020 177.584 0.059 0.000 1.102 180 A CA -0.086 51.984 52.037 0.055 0.000 0.660 180 A CB 0.938 19.976 19.000 0.063 0.000 1.283 180 A HN 2.108 nan 8.150 nan 0.000 0.430 181 S N -0.806 114.895 115.700 0.002 0.000 2.588 181 S HA 0.974 5.444 4.470 0.000 0.000 0.269 181 S C -0.774 173.780 174.600 -0.076 0.000 1.157 181 S CA 0.211 58.330 58.200 -0.135 0.000 0.824 181 S CB 1.160 64.273 63.200 -0.145 0.000 1.126 181 S HN 2.696 nan 8.310 nan 0.000 0.464 182 A N 0.070 122.806 122.820 -0.140 0.000 2.612 182 A HA 0.917 5.237 4.320 0.000 0.000 0.293 182 A C -0.578 177.028 177.584 0.037 0.000 1.075 182 A CA -0.296 51.649 52.037 -0.154 0.000 0.680 182 A CB 0.634 19.172 19.000 -0.771 0.000 1.279 182 A HN 2.582 nan 8.150 nan 0.000 0.411 183 c N -0.488 118.256 118.600 0.241 0.000 3.289 183 c HA 0.761 5.331 4.570 0.000 0.000 0.354 183 c C -0.919 173.314 174.090 0.238 0.000 1.201 183 c CA -0.740 55.785 56.329 0.326 0.000 1.199 183 c CB 0.239 42.873 42.510 0.207 0.000 1.511 183 c HN 1.410 nan 8.230 nan 0.000 0.506 184 H N 0.796 119.763 119.070 -0.172 0.000 2.457 184 H HA 0.590 5.146 4.556 0.000 0.000 0.335 184 H C 0.601 175.815 175.328 -0.189 0.000 1.115 184 H CA 0.292 56.051 56.048 -0.480 0.000 1.219 184 H CB 1.548 30.574 29.762 -1.228 0.000 1.471 184 H HN 0.839 nan 8.280 nan 0.000 0.491 185 D N 2.291 122.521 120.400 -0.283 0.000 2.349 185 D HA 0.158 4.798 4.640 0.000 0.000 0.214 185 D C 1.433 177.711 176.300 -0.037 0.000 1.063 185 D CA 0.550 54.507 54.000 -0.072 0.000 0.847 185 D CB 0.481 41.270 40.800 -0.018 0.000 0.933 185 D HN 0.843 nan 8.370 nan 0.000 0.513 186 G N -0.992 107.842 108.800 0.056 0.000 2.278 186 G HA2 -0.288 3.672 3.960 0.000 0.000 0.210 186 G HA3 -0.288 3.672 3.960 0.000 0.000 0.210 186 G C 1.182 175.966 174.900 -0.194 0.000 1.000 186 G CA 0.391 45.485 45.100 -0.009 0.000 0.635 186 G HN 0.372 nan 8.290 nan 0.000 0.495 187 T N -0.064 114.353 114.554 -0.230 0.000 3.156 187 T HA 0.529 4.879 4.350 0.000 0.000 0.236 187 T C 0.907 175.405 174.700 -0.336 0.000 0.978 187 T CA 1.480 63.470 62.100 -0.183 0.000 1.240 187 T CB 0.296 69.128 68.868 -0.059 0.000 0.951 187 T HN 0.421 nan 8.240 nan 0.000 0.420 188 S N -0.921 114.337 115.700 -0.736 0.000 2.661 188 S HA 0.543 5.013 4.470 0.000 0.000 0.285 188 S C -1.875 172.146 174.600 -0.965 0.000 1.138 188 S CA -0.951 56.771 58.200 -0.798 0.000 0.855 188 S CB 1.329 63.929 63.200 -1.000 0.000 1.136 188 S HN 0.381 nan 8.310 nan 0.000 0.484 189 W N 1.574 122.628 121.300 -0.410 0.000 2.316 189 W HA 0.586 5.246 4.660 0.000 0.000 0.321 189 W C -0.410 176.001 176.519 -0.179 0.000 1.203 189 W CA -0.268 56.992 57.345 -0.142 0.000 1.214 189 W CB 0.660 30.177 29.460 0.095 0.000 1.169 189 W HN 0.324 nan 8.180 nan 0.000 0.561 190 L N 4.416 125.789 121.223 0.250 0.000 2.305 190 L HA 0.655 4.995 4.340 0.000 0.000 0.284 190 L C -0.061 176.898 176.870 0.148 0.000 1.013 190 L CA -0.282 54.674 54.840 0.193 0.000 0.819 190 L CB 0.989 43.155 42.059 0.179 0.000 1.227 190 L HN 0.406 nan 8.230 nan 0.000 0.417 191 T N 2.881 117.481 114.554 0.077 0.000 2.893 191 T HA 0.785 5.135 4.350 0.000 0.000 0.291 191 T C -0.385 174.298 174.700 -0.028 0.000 1.028 191 T CA -0.575 61.517 62.100 -0.014 0.000 0.995 191 T CB 1.392 70.236 68.868 -0.041 0.000 1.051 191 T HN 0.475 nan 8.240 nan 0.000 0.470 192 I N 1.529 122.064 120.570 -0.057 0.000 2.468 192 I HA 0.594 4.764 4.170 0.000 0.000 0.285 192 I C 0.233 176.288 176.117 -0.102 0.000 1.039 192 I CA -0.852 60.400 61.300 -0.081 0.000 1.074 192 I CB 2.020 39.969 38.000 -0.083 0.000 1.228 192 I HN 0.991 nan 8.210 nan 0.000 0.436 193 G N 7.162 115.882 108.800 -0.133 0.000 2.557 193 G HA2 0.754 4.714 3.960 0.000 0.000 0.310 193 G HA3 0.754 4.714 3.960 0.000 0.000 0.310 193 G C -0.891 173.854 174.900 -0.257 0.000 1.328 193 G CA -0.388 44.607 45.100 -0.176 0.000 0.945 193 G HN 0.447 nan 8.290 nan 0.000 0.494 194 I N 1.674 122.007 120.570 -0.396 0.000 2.392 194 I HA 0.570 4.740 4.170 0.000 0.000 0.295 194 I C 0.354 175.879 176.117 -0.987 0.000 0.985 194 I CA -0.336 60.608 61.300 -0.593 0.000 1.221 194 I CB 2.013 39.598 38.000 -0.692 0.000 1.366 194 I HN 0.490 nan 8.210 nan 0.000 0.467 195 S N 3.143 118.403 115.700 -0.734 0.000 2.705 195 S HA 0.958 5.428 4.470 0.000 0.000 0.280 195 S C -0.520 173.998 174.600 -0.137 0.000 1.174 195 S CA 0.159 57.987 58.200 -0.620 0.000 0.823 195 S CB 1.852 64.897 63.200 -0.259 0.000 1.162 195 S HN 1.171 nan 8.310 nan 0.000 0.487 196 G N 1.392 110.302 108.800 0.185 0.000 2.462 196 G HA2 0.069 4.029 3.960 0.000 0.000 0.685 196 G HA3 0.069 4.029 3.960 0.000 0.000 0.685 196 G C -3.318 171.782 174.900 0.332 0.000 1.295 196 G CA -0.418 44.798 45.100 0.193 0.000 0.941 196 G HN 0.669 nan 8.290 nan 0.000 0.554 197 P HA 0.299 nan 4.420 nan 0.000 0.273 197 P C -0.067 177.311 177.300 0.130 0.000 1.250 197 P CA 0.043 63.213 63.100 0.117 0.000 0.793 197 P CB 0.812 32.548 31.700 0.060 0.000 1.011 198 D N 0.189 120.605 120.400 0.027 0.000 2.144 198 D HA -0.127 4.513 4.640 0.000 0.000 0.200 198 D C 1.330 177.643 176.300 0.021 0.000 0.978 198 D CA 1.432 55.431 54.000 -0.002 0.000 0.833 198 D CB -0.722 40.030 40.800 -0.080 0.000 0.961 198 D HN 0.512 nan 8.370 nan 0.000 0.470 199 N N -0.310 118.395 118.700 0.010 0.000 2.501 199 N HA 0.089 4.829 4.740 0.000 0.000 0.195 199 N C 0.738 176.257 175.510 0.015 0.000 1.213 199 N CA 0.503 53.553 53.050 0.001 0.000 0.864 199 N CB 0.227 38.710 38.487 -0.005 0.000 0.999 199 N HN 0.088 nan 8.380 nan 0.000 0.454 200 G N -1.582 107.243 108.800 0.043 0.000 5.515 200 G HA2 0.451 4.411 3.960 0.000 0.000 0.198 200 G HA3 0.451 4.411 3.960 0.000 0.000 0.198 200 G C -0.235 174.704 174.900 0.065 0.000 0.858 200 G CA -0.167 44.959 45.100 0.043 0.000 0.634 200 G HN 0.489 nan 8.290 nan 0.000 0.290 201 A N -0.165 122.719 122.820 0.107 0.000 2.507 201 A HA 0.610 4.930 4.320 0.000 0.000 0.235 201 A C 0.309 177.892 177.584 -0.003 0.000 1.070 201 A CA 0.460 52.557 52.037 0.100 0.000 0.768 201 A CB 1.217 20.349 19.000 0.221 0.000 1.011 201 A HN 1.550 nan 8.150 nan 0.000 0.502 202 V N 0.935 120.806 119.914 -0.070 0.000 2.760 202 V HA 0.698 4.818 4.120 0.000 0.000 0.309 202 V C 0.032 176.037 176.094 -0.148 0.000 1.077 202 V CA -0.044 62.210 62.300 -0.077 0.000 0.910 202 V CB 1.636 33.436 31.823 -0.040 0.000 1.008 202 V HN 1.671 nan 8.190 nan 0.000 0.424 203 A N 6.145 128.884 122.820 -0.135 0.000 2.276 203 A HA 0.733 5.053 4.320 0.000 0.000 0.300 203 A C -0.485 177.019 177.584 -0.133 0.000 1.235 203 A CA -0.390 51.544 52.037 -0.171 0.000 0.867 203 A CB 0.919 19.810 19.000 -0.183 0.000 1.137 203 A HN 1.118 nan 8.150 nan 0.000 0.527 204 V N 4.821 124.660 119.914 -0.125 0.000 2.383 204 V HA 0.283 4.403 4.120 0.000 0.000 0.275 204 V C 0.029 176.079 176.094 -0.074 0.000 1.036 204 V CA -0.156 62.095 62.300 -0.082 0.000 0.889 204 V CB 0.953 32.740 31.823 -0.061 0.000 0.985 204 V HN 0.728 nan 8.190 nan 0.000 0.459 205 L N 5.560 126.751 121.223 -0.055 0.000 2.309 205 L HA 0.643 4.983 4.340 0.000 0.000 0.282 205 L C -0.110 176.768 176.870 0.013 0.000 1.036 205 L CA -0.650 54.170 54.840 -0.032 0.000 0.806 205 L CB 1.432 43.465 42.059 -0.043 0.000 1.220 205 L HN 0.523 nan 8.230 nan 0.000 0.429 206 K N 2.730 123.156 120.400 0.044 0.000 2.397 206 K HA 0.398 4.718 4.320 0.000 0.000 0.253 206 K C -1.698 174.994 176.600 0.153 0.000 0.932 206 K CA -0.690 55.647 56.287 0.083 0.000 0.795 206 K CB 2.749 35.280 32.500 0.052 0.000 1.159 206 K HN 0.391 nan 8.250 nan 0.000 0.424 207 Y N 3.580 123.894 120.300 0.023 0.000 2.345 207 Y HA 0.128 4.678 4.550 0.000 0.000 0.331 207 Y C 0.373 176.303 175.900 0.050 0.000 0.959 207 Y CA -0.246 57.871 58.100 0.027 0.000 1.204 207 Y CB 0.727 39.183 38.460 -0.006 0.000 1.135 207 Y HN 0.772 nan 8.280 nan 0.000 0.477 208 N N 4.170 122.736 118.700 -0.222 0.000 2.747 208 N HA -0.210 4.530 4.740 0.000 0.000 0.249 208 N C 0.751 176.277 175.510 0.027 0.000 1.107 208 N CA 1.635 54.630 53.050 -0.091 0.000 0.707 208 N CB -1.158 37.272 38.487 -0.095 0.000 1.054 208 N HN 1.371 nan 8.380 nan 0.000 0.555 209 G N -0.621 108.211 108.800 0.053 0.000 2.199 209 G HA2 -0.302 3.658 3.960 0.000 0.000 0.254 209 G HA3 -0.302 3.658 3.960 0.000 0.000 0.254 209 G C 0.248 175.191 174.900 0.073 0.000 0.982 209 G CA 0.575 45.715 45.100 0.067 0.000 0.632 209 G HN 0.993 nan 8.290 nan 0.000 0.529 210 I N -0.604 120.012 120.570 0.078 0.000 2.493 210 I HA 0.732 4.902 4.170 0.000 0.000 0.298 210 I C 0.600 176.764 176.117 0.077 0.000 0.998 210 I CA -1.661 59.683 61.300 0.074 0.000 1.137 210 I CB 1.238 39.280 38.000 0.070 0.000 1.310 210 I HN 0.025 nan 8.210 nan 0.000 0.445 211 I N 5.507 126.111 120.570 0.056 0.000 2.752 211 I HA -0.017 4.153 4.170 0.000 0.000 0.289 211 I C 1.207 177.347 176.117 0.039 0.000 1.197 211 I CA 0.561 61.886 61.300 0.042 0.000 1.432 211 I CB 0.949 38.964 38.000 0.026 0.000 1.359 211 I HN 0.883 nan 8.210 nan 0.000 0.571 212 T N -0.485 114.088 114.554 0.031 0.000 2.969 212 T HA 0.246 4.596 4.350 0.000 0.000 0.258 212 T C 0.201 174.892 174.700 -0.015 0.000 0.962 212 T CA -0.251 61.856 62.100 0.012 0.000 0.903 212 T CB 0.621 69.499 68.868 0.017 0.000 1.177 212 T HN 0.569 nan 8.240 nan 0.000 0.511 213 D N -0.585 119.804 120.400 -0.019 0.000 2.692 213 D HA 0.558 5.198 4.640 0.000 0.000 0.303 213 D C -1.622 174.654 176.300 -0.040 0.000 1.278 213 D CA -0.087 53.893 54.000 -0.033 0.000 0.852 213 D CB 2.167 42.938 40.800 -0.049 0.000 1.375 213 D HN 0.011 nan 8.370 nan 0.000 0.453 214 T N 0.546 115.073 114.554 -0.046 0.000 2.982 214 T HA 0.600 4.950 4.350 0.000 0.000 0.321 214 T C -1.028 173.642 174.700 -0.050 0.000 1.229 214 T CA -0.407 61.663 62.100 -0.049 0.000 1.044 214 T CB 0.889 69.741 68.868 -0.027 0.000 1.184 214 T HN 0.223 nan 8.240 nan 0.000 0.477 215 I N 2.987 123.518 120.570 -0.065 0.000 2.512 215 I HA 0.434 4.604 4.170 0.000 0.000 0.287 215 I C -0.322 175.810 176.117 0.026 0.000 1.069 215 I CA -0.946 60.336 61.300 -0.030 0.000 1.056 215 I CB 2.183 40.081 38.000 -0.169 0.000 1.229 215 I HN 0.284 nan 8.210 nan 0.000 0.429 216 K N 2.943 123.396 120.400 0.088 0.000 2.098 216 K HA 0.361 4.681 4.320 0.000 0.000 0.261 216 K C 0.193 176.903 176.600 0.183 0.000 0.987 216 K CA -0.422 55.923 56.287 0.097 0.000 0.916 216 K CB 1.405 33.959 32.500 0.090 0.000 1.039 216 K HN 0.523 nan 8.250 nan 0.000 0.455 217 S N 1.430 117.185 115.700 0.091 0.000 2.563 217 S HA -0.060 4.410 4.470 0.000 0.000 0.294 217 S C 0.207 174.874 174.600 0.111 0.000 1.279 217 S CA 0.004 58.204 58.200 -0.001 0.000 1.069 217 S CB 0.121 63.290 63.200 -0.051 0.000 0.828 217 S HN 0.681 nan 8.310 nan 0.000 0.497 218 W N 5.241 126.557 121.300 0.026 0.000 3.127 218 W HA 0.525 5.185 4.660 0.000 0.000 0.344 218 W C 1.025 177.540 176.519 -0.007 0.000 1.151 218 W CA -0.647 56.704 57.345 0.010 0.000 1.765 218 W CB 0.255 29.721 29.460 0.011 0.000 1.085 218 W HN 0.474 nan 8.180 nan 0.000 0.596 219 R N 0.952 121.256 120.500 -0.326 0.000 2.521 219 R HA 0.067 4.407 4.340 0.000 0.000 0.289 219 R C 0.065 176.275 176.300 -0.151 0.000 0.936 219 R CA 0.104 56.069 56.100 -0.225 0.000 1.089 219 R CB -0.692 29.391 30.300 -0.362 0.000 1.348 219 R HN 0.145 nan 8.270 nan 0.000 0.536 220 N N 2.081 120.699 118.700 -0.138 0.000 2.738 220 N HA -0.206 4.534 4.740 0.000 0.000 0.249 220 N C -0.637 174.821 175.510 -0.086 0.000 1.047 220 N CA 0.787 53.791 53.050 -0.077 0.000 0.707 220 N CB -1.330 37.136 38.487 -0.036 0.000 0.937 220 N HN 0.235 nan 8.380 nan 0.000 0.545 221 N N 0.740 119.365 118.700 -0.126 0.000 2.751 221 N HA 0.241 4.981 4.740 0.000 0.000 0.234 221 N C -0.275 175.183 175.510 -0.087 0.000 1.403 221 N CA -0.373 52.617 53.050 -0.100 0.000 0.747 221 N CB -0.141 38.277 38.487 -0.116 0.000 1.326 221 N HN 0.304 nan 8.380 nan 0.000 0.532 222 I N 0.550 121.105 120.570 -0.025 0.000 7.179 222 I HA -0.319 3.851 4.170 0.000 0.000 0.126 222 I C -0.134 176.038 176.117 0.091 0.000 1.827 222 I CA -0.030 61.306 61.300 0.061 0.000 2.067 222 I CB -0.884 37.113 38.000 -0.005 0.000 3.592 222 I HN 0.322 nan 8.210 nan 0.000 0.178 223 L N 5.940 127.202 121.223 0.065 0.000 2.578 223 L HA 0.245 4.585 4.340 0.000 0.000 0.279 223 L C 0.851 177.792 176.870 0.118 0.000 1.227 223 L CA 0.982 55.803 54.840 -0.032 0.000 0.900 223 L CB 0.208 42.223 42.059 -0.072 0.000 1.144 223 L HN 0.569 nan 8.230 nan 0.000 0.496 224 R N 2.266 122.819 120.500 0.089 0.000 2.734 224 R HA 0.725 5.065 4.340 0.000 0.000 0.271 224 R C -1.025 175.357 176.300 0.138 0.000 1.021 224 R CA -0.814 55.386 56.100 0.167 0.000 0.893 224 R CB 1.379 31.837 30.300 0.264 0.000 1.244 224 R HN 0.530 nan 8.270 nan 0.000 0.464 225 T N -1.304 113.332 114.554 0.136 0.000 2.693 225 T HA 0.178 4.529 4.350 0.000 0.000 0.278 225 T C 0.636 175.418 174.700 0.137 0.000 0.994 225 T CA -0.472 61.702 62.100 0.122 0.000 1.033 225 T CB 1.717 70.621 68.868 0.060 0.000 1.342 225 T HN 0.674 nan 8.240 nan 0.000 0.538 226 Q N 0.347 120.210 119.800 0.106 0.000 2.096 226 Q HA -0.132 4.208 4.340 0.000 0.000 0.208 226 Q C -0.197 175.874 176.000 0.118 0.000 0.993 226 Q CA 1.798 57.660 55.803 0.099 0.000 0.862 226 Q CB -0.109 28.655 28.738 0.043 0.000 0.915 226 Q HN 0.665 nan 8.270 nan 0.000 0.416 227 E N -0.201 120.044 120.200 0.074 0.000 2.553 227 E HA -0.156 4.194 4.350 0.000 0.000 0.264 227 E C -0.597 176.033 176.600 0.049 0.000 1.068 227 E CA 1.118 57.639 56.400 0.201 0.000 0.774 227 E CB -2.282 27.681 29.700 0.439 0.000 1.349 227 E HN 0.446 nan 8.360 nan 0.000 0.404 228 S N -1.830 113.467 115.700 -0.673 0.000 2.627 228 S HA 0.310 4.780 4.470 0.000 0.000 0.268 228 S C -0.599 173.509 174.600 -0.820 0.000 1.130 228 S CA -0.616 57.141 58.200 -0.737 0.000 0.819 228 S CB 1.913 65.252 63.200 0.233 0.000 1.100 228 S HN 0.215 nan 8.310 nan 0.000 0.465 229 E N 0.566 120.587 120.200 -0.298 0.000 2.568 229 E HA 0.194 4.544 4.350 0.000 0.000 0.262 229 E C 0.569 177.205 176.600 0.059 0.000 0.961 229 E CA 0.012 56.421 56.400 0.015 0.000 0.945 229 E CB -0.020 29.878 29.700 0.330 0.000 0.924 229 E HN 0.744 nan 8.360 nan 0.000 0.467 230 c N 2.548 121.196 118.600 0.080 0.000 2.480 230 c HA 0.833 5.403 4.570 0.000 0.000 0.344 230 c C 0.418 174.638 174.090 0.216 0.000 1.380 230 c CA -0.644 55.775 56.329 0.150 0.000 2.386 230 c CB 0.111 42.704 42.510 0.138 0.000 2.210 230 c HN 0.751 nan 8.230 nan 0.000 0.640 231 A N -0.586 122.393 122.820 0.265 0.000 2.331 231 A HA 0.678 4.998 4.320 0.000 0.000 0.320 231 A C -0.606 177.177 177.584 0.332 0.000 1.138 231 A CA -0.296 51.901 52.037 0.267 0.000 0.790 231 A CB 0.314 19.432 19.000 0.198 0.000 1.206 231 A HN 1.033 nan 8.150 nan 0.000 0.470 232 c N 1.577 120.328 118.600 0.252 0.000 2.411 232 c HA 0.821 5.391 4.570 0.000 0.000 0.330 232 c C -0.053 174.172 174.090 0.226 0.000 1.224 232 c CA -0.498 55.976 56.329 0.242 0.000 1.770 232 c CB 0.839 43.434 42.510 0.143 0.000 2.297 232 c HN 0.660 nan 8.230 nan 0.000 0.507 233 V N 2.865 122.944 119.914 0.275 0.000 2.777 233 V HA 0.471 4.591 4.120 0.000 0.000 0.306 233 V C 0.035 176.233 176.094 0.174 0.000 1.112 233 V CA -0.446 61.969 62.300 0.192 0.000 0.917 233 V CB 1.806 33.732 31.823 0.171 0.000 1.018 233 V HN 0.960 nan 8.190 nan 0.000 0.426 234 N N 3.131 121.891 118.700 0.101 0.000 2.721 234 N HA -0.191 4.549 4.740 0.000 0.000 0.249 234 N C 0.998 176.544 175.510 0.059 0.000 1.072 234 N CA 1.933 55.028 53.050 0.075 0.000 0.710 234 N CB -0.956 37.580 38.487 0.082 0.000 0.993 234 N HN 1.972 nan 8.380 nan 0.000 0.547 235 G N -2.404 106.424 108.800 0.046 0.000 2.153 235 G HA2 -0.262 3.698 3.960 0.000 0.000 0.252 235 G HA3 -0.262 3.698 3.960 0.000 0.000 0.252 235 G C -0.135 174.749 174.900 -0.028 0.000 0.994 235 G CA 0.595 45.699 45.100 0.007 0.000 0.698 235 G HN 0.830 nan 8.290 nan 0.000 0.521 236 S N -0.944 114.752 115.700 -0.006 0.000 2.521 236 S HA 0.682 5.152 4.470 0.000 0.000 0.295 236 S C 0.072 174.538 174.600 -0.223 0.000 1.098 236 S CA -0.454 57.645 58.200 -0.168 0.000 0.999 236 S CB 2.291 65.367 63.200 -0.208 0.000 1.034 236 S HN 0.548 nan 8.310 nan 0.000 0.483 237 c N 2.639 121.034 118.600 -0.341 0.000 2.397 237 c HA 0.817 5.387 4.570 0.000 0.000 0.343 237 c C -0.730 173.100 174.090 -0.434 0.000 1.188 237 c CA -0.739 55.492 56.329 -0.163 0.000 1.992 237 c CB -0.141 42.365 42.510 -0.005 0.000 2.358 237 c HN 0.809 nan 8.230 nan 0.000 0.518 238 F N 0.333 120.379 119.950 0.161 0.000 2.576 238 F HA 0.711 5.238 4.527 0.000 0.000 0.313 238 F C 0.366 176.299 175.800 0.222 0.000 1.078 238 F CA -0.461 57.674 58.000 0.225 0.000 0.921 238 F CB 1.902 41.141 39.000 0.399 0.000 1.232 238 F HN 0.529 nan 8.300 nan 0.000 0.459 239 T N 0.896 115.684 114.554 0.390 0.000 2.816 239 T HA 0.781 5.131 4.350 0.000 0.000 0.299 239 T C -2.014 172.864 174.700 0.297 0.000 1.230 239 T CA -0.534 61.745 62.100 0.298 0.000 1.007 239 T CB 1.650 70.625 68.868 0.177 0.000 1.289 239 T HN 0.372 nan 8.240 nan 0.000 0.508 240 V N 3.442 123.505 119.914 0.249 0.000 2.531 240 V HA 0.597 4.717 4.120 0.000 0.000 0.301 240 V C -0.328 175.924 176.094 0.262 0.000 1.034 240 V CA -0.672 61.759 62.300 0.219 0.000 0.865 240 V CB 1.476 33.385 31.823 0.142 0.000 0.995 240 V HN 0.835 nan 8.190 nan 0.000 0.424 241 M N 2.794 122.623 119.600 0.381 0.000 2.664 241 M HA 0.687 5.167 4.480 0.000 0.000 0.314 241 M C -0.468 176.081 176.300 0.415 0.000 1.200 241 M CA -0.431 55.096 55.300 0.378 0.000 0.916 241 M CB 2.651 35.512 32.600 0.435 0.000 1.717 241 M HN 0.555 nan 8.290 nan 0.000 0.470 242 T N 0.021 114.730 114.554 0.259 0.000 2.906 242 T HA 0.533 4.883 4.350 0.000 0.000 0.295 242 T C -1.605 173.016 174.700 -0.132 0.000 1.061 242 T CA -0.625 61.583 62.100 0.180 0.000 1.000 242 T CB 2.061 71.061 68.868 0.221 0.000 1.103 242 T HN 0.576 nan 8.240 nan 0.000 0.486 243 D N -0.283 119.896 120.400 -0.368 0.000 2.934 243 D HA 0.657 5.297 4.640 0.000 0.000 0.230 243 D C -0.082 175.972 176.300 -0.410 0.000 1.204 243 D CA 0.483 54.130 54.000 -0.590 0.000 0.873 243 D CB 1.843 41.787 40.800 -1.427 0.000 1.645 243 D HN 0.998 nan 8.370 nan 0.000 0.502 244 G N 2.358 110.994 108.800 -0.274 0.000 2.371 244 G HA2 0.039 3.999 3.960 0.000 0.000 0.663 244 G HA3 0.039 3.999 3.960 0.000 0.000 0.663 244 G C -2.898 171.935 174.900 -0.112 0.000 1.311 244 G CA -0.804 44.178 45.100 -0.198 0.000 0.985 244 G HN 0.428 nan 8.290 nan 0.000 0.566 245 P HA 0.195 nan 4.420 nan 0.000 0.270 245 P C 0.845 178.170 177.300 0.042 0.000 1.227 245 P CA 0.735 63.796 63.100 -0.064 0.000 0.788 245 P CB 0.858 32.479 31.700 -0.132 0.000 0.926 246 S N -0.991 114.740 115.700 0.050 0.000 2.540 246 S HA 0.092 4.562 4.470 0.000 0.000 0.218 246 S C 0.803 175.377 174.600 -0.045 0.000 0.977 246 S CA -0.311 57.967 58.200 0.130 0.000 0.918 246 S CB -0.434 62.836 63.200 0.117 0.000 0.806 246 S HN 0.316 nan 8.310 nan 0.000 0.496 247 N N 2.493 121.103 118.700 -0.150 0.000 1.785 247 N HA 0.334 5.074 4.740 0.000 0.000 0.230 247 N C 1.201 176.117 175.510 -0.991 0.000 1.188 247 N CA 0.251 53.130 53.050 -0.285 0.000 0.977 247 N CB -1.325 37.064 38.487 -0.163 0.000 1.309 247 N HN 0.341 nan 8.380 nan 0.000 0.396 248 G N 0.994 109.141 108.800 -1.088 0.000 2.641 248 G HA2 -0.140 3.820 3.960 0.000 0.000 0.310 248 G HA3 -0.140 3.820 3.960 0.000 0.000 0.310 248 G C 0.108 174.046 174.900 -1.603 0.000 1.291 248 G CA -0.055 43.997 45.100 -1.747 0.000 1.133 248 G HN 0.253 nan 8.290 nan 0.000 0.660 249 Q N -0.632 118.436 119.800 -1.219 0.000 2.348 249 Q HA 0.265 4.605 4.340 0.000 0.000 0.331 249 Q C 0.614 176.450 176.000 -0.274 0.000 1.099 249 Q CA 0.887 56.423 55.803 -0.445 0.000 1.021 249 Q CB 0.661 29.343 28.738 -0.092 0.000 1.166 249 Q HN 0.711 nan 8.270 nan 0.000 0.393 250 A N 2.333 125.069 122.820 -0.140 0.000 2.578 250 A HA 0.667 4.987 4.320 0.000 0.000 0.255 250 A C -0.649 176.476 177.584 -0.766 0.000 1.251 250 A CA -0.372 51.472 52.037 -0.322 0.000 0.882 250 A CB 1.617 20.504 19.000 -0.189 0.000 1.416 250 A HN 0.569 nan 8.150 nan 0.000 0.462 251 S N -1.064 114.194 115.700 -0.736 0.000 2.454 251 S HA 0.709 5.179 4.470 0.000 0.000 0.306 251 S C -1.728 172.499 174.600 -0.622 0.000 1.100 251 S CA -0.346 57.484 58.200 -0.618 0.000 1.087 251 S CB 0.181 63.385 63.200 0.007 0.000 1.019 251 S HN 0.414 nan 8.310 nan 0.000 0.480 252 Y N 2.720 123.111 120.300 0.152 0.000 2.361 252 Y HA 0.578 5.128 4.550 0.000 0.000 0.337 252 Y C 0.230 176.095 175.900 -0.060 0.000 0.965 252 Y CA -0.996 57.143 58.100 0.065 0.000 1.091 252 Y CB 1.573 39.969 38.460 -0.106 0.000 1.182 252 Y HN 0.386 nan 8.280 nan 0.000 0.450 253 K N 3.847 124.303 120.400 0.094 0.000 2.371 253 K HA 0.640 4.960 4.320 0.000 0.000 0.251 253 K C -1.338 175.053 176.600 -0.349 0.000 0.934 253 K CA -0.793 55.307 56.287 -0.312 0.000 0.798 253 K CB 2.775 34.856 32.500 -0.697 0.000 1.204 253 K HN 0.617 nan 8.250 nan 0.000 0.427 254 I N 3.087 123.313 120.570 -0.572 0.000 2.339 254 I HA 0.318 4.488 4.170 0.000 0.000 0.290 254 I C -0.907 174.912 176.117 -0.496 0.000 0.994 254 I CA -0.692 60.323 61.300 -0.475 0.000 1.191 254 I CB 0.680 38.235 38.000 -0.742 0.000 1.343 254 I HN 0.350 nan 8.210 nan 0.000 0.458 255 F N 5.544 125.432 119.950 -0.103 0.000 2.427 255 F HA 0.413 4.940 4.527 0.000 0.000 0.346 255 F C 0.365 176.137 175.800 -0.047 0.000 1.120 255 F CA -0.684 57.272 58.000 -0.075 0.000 1.033 255 F CB 1.359 40.325 39.000 -0.056 0.000 1.126 255 F HN 0.304 nan 8.300 nan 0.000 0.462 256 K N 6.238 126.668 120.400 0.050 0.000 2.293 256 K HA 0.592 4.912 4.320 0.000 0.000 0.267 256 K C -0.910 175.572 176.600 -0.196 0.000 1.010 256 K CA -0.553 55.608 56.287 -0.210 0.000 0.875 256 K CB 0.706 33.155 32.500 -0.085 0.000 1.106 256 K HN 0.799 nan 8.250 nan 0.000 0.450 257 M N 1.645 121.068 119.600 -0.295 0.000 2.644 257 M HA 0.525 5.005 4.480 0.000 0.000 0.304 257 M C -1.333 174.824 176.300 -0.239 0.000 1.215 257 M CA -0.798 54.385 55.300 -0.196 0.000 0.871 257 M CB 2.163 34.691 32.600 -0.120 0.000 1.740 257 M HN 0.425 nan 8.290 nan 0.000 0.464 258 E N 0.664 120.737 120.200 -0.211 0.000 2.275 258 E HA 0.374 4.724 4.350 0.000 0.000 0.270 258 E C -1.282 175.103 176.600 -0.357 0.000 0.882 258 E CA -0.874 55.379 56.400 -0.245 0.000 0.758 258 E CB 2.268 31.852 29.700 -0.193 0.000 1.195 258 E HN 0.723 nan 8.360 nan 0.000 0.419 259 K N 1.246 121.282 120.400 -0.607 0.000 3.035 259 K HA -0.282 4.038 4.320 0.000 0.000 0.262 259 K C 0.615 176.744 176.600 -0.785 0.000 1.024 259 K CA 0.643 56.164 56.287 -1.275 0.000 0.748 259 K CB -1.494 30.537 32.500 -0.780 0.000 1.247 259 K HN 1.107 nan 8.250 nan 0.000 0.482 260 G N 0.370 108.932 108.800 -0.397 0.000 2.166 260 G HA2 -0.380 3.580 3.960 0.000 0.000 0.260 260 G HA3 -0.380 3.580 3.960 0.000 0.000 0.260 260 G C -0.084 174.751 174.900 -0.108 0.000 0.986 260 G CA 0.989 46.023 45.100 -0.110 0.000 0.683 260 G HN 0.421 nan 8.290 nan 0.000 0.527 261 K N 0.332 120.643 120.400 -0.148 0.000 2.323 261 K HA 0.579 4.899 4.320 0.000 0.000 0.259 261 K C 0.315 176.862 176.600 -0.088 0.000 0.947 261 K CA -0.863 55.363 56.287 -0.102 0.000 0.819 261 K CB 1.646 34.083 32.500 -0.105 0.000 1.109 261 K HN -0.014 nan 8.250 nan 0.000 0.429 262 V N 5.929 125.812 119.914 -0.052 0.000 2.425 262 V HA -0.041 4.079 4.120 0.000 0.000 0.276 262 V C 1.214 177.295 176.094 -0.021 0.000 1.017 262 V CA 0.107 62.402 62.300 -0.009 0.000 1.062 262 V CB 0.610 32.473 31.823 0.067 0.000 0.997 262 V HN 0.739 nan 8.190 nan 0.000 0.476 263 V N 2.141 122.027 119.914 -0.046 0.000 3.590 263 V HA 0.401 4.521 4.120 0.000 0.000 0.265 263 V C 0.542 176.615 176.094 -0.035 0.000 1.239 263 V CA 0.593 62.864 62.300 -0.047 0.000 1.117 263 V CB -0.413 31.371 31.823 -0.065 0.000 0.818 263 V HN 0.760 nan 8.190 nan 0.000 0.451 264 K N 0.313 120.695 120.400 -0.030 0.000 2.610 264 K HA 0.597 4.917 4.320 0.000 0.000 0.278 264 K C -1.338 175.210 176.600 -0.087 0.000 0.964 264 K CA 0.295 56.553 56.287 -0.048 0.000 0.859 264 K CB 2.252 34.734 32.500 -0.029 0.000 1.434 264 K HN 0.440 nan 8.250 nan 0.000 0.410 265 S N 0.278 115.865 115.700 -0.189 0.000 2.579 265 S HA 0.791 5.261 4.470 0.000 0.000 0.272 265 S C -1.458 172.908 174.600 -0.390 0.000 1.141 265 S CA -0.758 57.187 58.200 -0.425 0.000 0.843 265 S CB 2.028 64.838 63.200 -0.650 0.000 1.122 265 S HN 0.262 nan 8.310 nan 0.000 0.468 266 V N 1.115 120.738 119.914 -0.485 0.000 2.777 266 V HA 0.472 4.592 4.120 0.000 0.000 0.306 266 V C -0.689 175.136 176.094 -0.448 0.000 1.112 266 V CA -0.635 61.448 62.300 -0.362 0.000 0.917 266 V CB 1.802 33.500 31.823 -0.209 0.000 1.018 266 V HN 1.055 nan 8.190 nan 0.000 0.426 267 E N 4.438 124.416 120.200 -0.371 0.000 2.223 267 E HA 0.422 4.772 4.350 0.000 0.000 0.282 267 E C -0.587 175.853 176.600 -0.266 0.000 1.046 267 E CA -0.516 55.685 56.400 -0.333 0.000 0.857 267 E CB 0.777 30.308 29.700 -0.282 0.000 1.055 267 E HN 0.596 nan 8.360 nan 0.000 0.409 268 L N 3.966 124.978 121.223 -0.352 0.000 2.525 268 L HA -0.014 4.327 4.340 0.000 0.000 0.278 268 L C 0.436 177.240 176.870 -0.109 0.000 1.218 268 L CA 0.223 54.790 54.840 -0.455 0.000 0.878 268 L CB 0.142 41.888 42.059 -0.521 0.000 1.127 268 L HN 0.654 nan 8.230 nan 0.000 0.492 269 D N 3.302 123.722 120.400 0.033 0.000 2.500 269 D HA 0.378 5.018 4.640 0.000 0.000 0.219 269 D C -0.209 176.143 176.300 0.087 0.000 1.137 269 D CA -0.152 53.904 54.000 0.093 0.000 0.946 269 D CB 0.679 41.558 40.800 0.131 0.000 1.022 269 D HN 0.524 nan 8.370 nan 0.000 0.518 270 A N 4.617 127.516 122.820 0.131 0.000 3.204 270 A HA 0.397 4.717 4.320 0.000 0.000 0.327 270 A C -2.527 175.320 177.584 0.439 0.000 0.998 270 A CA -1.221 50.902 52.037 0.144 0.000 0.891 270 A CB 0.425 19.494 19.000 0.114 0.000 1.061 270 A HN 0.342 nan 8.150 nan 0.000 0.478 271 P HA 0.064 nan 4.420 nan 0.000 0.268 271 P C 0.318 177.927 177.300 0.514 0.000 1.204 271 P CA 0.623 63.958 63.100 0.391 0.000 0.768 271 P CB 0.820 32.676 31.700 0.261 0.000 0.842 272 N N 0.190 119.220 118.700 0.550 0.000 2.965 272 N HA -0.213 4.527 4.740 0.000 0.000 0.232 272 N C -0.871 174.944 175.510 0.509 0.000 0.913 272 N CA 1.206 54.542 53.050 0.478 0.000 0.981 272 N CB -1.929 36.657 38.487 0.166 0.000 1.077 272 N HN 0.376 nan 8.380 nan 0.000 0.589 273 Y N 0.284 120.890 120.300 0.510 0.000 2.392 273 Y HA 0.559 5.109 4.550 0.000 0.000 0.323 273 Y C 0.849 177.012 175.900 0.437 0.000 1.291 273 Y CA 0.015 58.367 58.100 0.421 0.000 1.345 273 Y CB 0.984 39.629 38.460 0.308 0.000 1.320 273 Y HN 0.107 nan 8.280 nan 0.000 0.518 274 H N 1.596 120.723 119.070 0.094 0.000 3.096 274 H HA 0.262 4.818 4.556 0.000 0.000 0.335 274 H C -2.097 172.960 175.328 -0.452 0.000 0.990 274 H CA -0.635 55.408 56.048 -0.008 0.000 1.393 274 H CB 0.617 30.558 29.762 0.300 0.000 1.742 274 H HN 0.659 nan 8.280 nan 0.000 0.501 275 Y N 2.878 122.636 120.300 -0.903 0.000 2.350 275 Y HA 0.399 4.950 4.550 0.000 0.000 0.338 275 Y C 0.075 175.875 175.900 -0.168 0.000 0.961 275 Y CA -0.458 57.366 58.100 -0.459 0.000 1.100 275 Y CB 1.872 40.003 38.460 -0.548 0.000 1.179 275 Y HN 0.511 nan 8.280 nan 0.000 0.454 276 E N 1.394 121.667 120.200 0.121 0.000 2.392 276 E HA 0.246 4.596 4.350 0.000 0.000 0.279 276 E C -1.208 175.469 176.600 0.128 0.000 0.964 276 E CA -1.126 55.369 56.400 0.158 0.000 0.777 276 E CB 2.069 31.888 29.700 0.199 0.000 1.249 276 E HN 0.649 nan 8.360 nan 0.000 0.449 277 E N 0.081 120.364 120.200 0.139 0.000 2.160 277 E HA -0.242 4.109 4.350 0.000 0.000 0.180 277 E C -0.713 175.954 176.600 0.111 0.000 1.452 277 E CA 0.107 56.577 56.400 0.117 0.000 0.683 277 E CB -1.688 28.041 29.700 0.048 0.000 1.072 277 E HN 0.306 nan 8.360 nan 0.000 0.332 278 c N 1.232 119.921 118.600 0.148 0.000 2.604 278 c HA 0.283 4.853 4.570 0.000 0.000 0.396 278 c C 1.129 175.320 174.090 0.168 0.000 1.282 278 c CA -0.308 56.123 56.329 0.168 0.000 2.292 278 c CB 1.008 43.640 42.510 0.203 0.000 2.633 278 c HN 0.462 nan 8.230 nan 0.000 0.620 279 S N 1.340 117.151 115.700 0.186 0.000 2.566 279 S HA 0.414 4.884 4.470 0.000 0.000 0.324 279 S C -0.504 174.252 174.600 0.260 0.000 1.081 279 S CA -0.426 57.902 58.200 0.213 0.000 1.105 279 S CB 0.412 63.736 63.200 0.208 0.000 0.981 279 S HN 0.816 nan 8.310 nan 0.000 0.464 280 c N 3.536 122.290 118.600 0.256 0.000 2.397 280 c HA 0.888 5.458 4.570 0.000 0.000 0.343 280 c C -0.560 173.723 174.090 0.321 0.000 1.188 280 c CA -0.914 55.544 56.329 0.216 0.000 1.992 280 c CB -0.059 42.558 42.510 0.179 0.000 2.358 280 c HN 0.929 nan 8.230 nan 0.000 0.518 281 Y N 0.415 120.786 120.300 0.118 0.000 2.552 281 Y HA 0.737 5.287 4.550 0.000 0.000 0.337 281 Y C -3.194 172.729 175.900 0.039 0.000 1.094 281 Y CA -2.748 55.435 58.100 0.138 0.000 1.028 281 Y CB 0.687 39.294 38.460 0.246 0.000 1.321 281 Y HN 0.461 nan 8.280 nan 0.000 0.456 282 P HA 0.305 nan 4.420 nan 0.000 0.279 282 P C -1.239 176.112 177.300 0.084 0.000 1.252 282 P CA -0.233 62.868 63.100 0.002 0.000 0.811 282 P CB 1.707 33.445 31.700 0.063 0.000 1.035 283 N N 0.534 119.212 118.700 -0.037 0.000 2.718 283 N HA 0.282 5.022 4.740 0.000 0.000 0.260 283 N C -0.715 174.751 175.510 -0.074 0.000 1.089 283 N CA 0.235 53.274 53.050 -0.018 0.000 1.021 283 N CB 1.122 39.602 38.487 -0.011 0.000 1.618 283 N HN 0.535 nan 8.380 nan 0.000 0.554 284 A N 2.168 124.958 122.820 -0.049 0.000 2.640 284 A HA 0.012 4.332 4.320 0.000 0.000 0.300 284 A C 1.443 178.990 177.584 -0.061 0.000 1.499 284 A CA 2.346 54.352 52.037 -0.051 0.000 0.759 284 A CB -2.107 16.857 19.000 -0.060 0.000 1.048 284 A HN 2.143 nan 8.150 nan 0.000 0.450 285 G N -2.147 106.620 108.800 -0.055 0.000 2.184 285 G HA2 -0.231 3.729 3.960 0.000 0.000 0.264 285 G HA3 -0.231 3.729 3.960 0.000 0.000 0.264 285 G C -0.156 174.673 174.900 -0.118 0.000 0.975 285 G CA 1.025 46.091 45.100 -0.056 0.000 0.642 285 G HN 1.386 nan 8.290 nan 0.000 0.536 286 E N -0.926 119.166 120.200 -0.179 0.000 2.359 286 E HA 0.688 5.038 4.350 0.000 0.000 0.266 286 E C -0.951 175.390 176.600 -0.431 0.000 0.920 286 E CA -1.185 55.033 56.400 -0.304 0.000 0.788 286 E CB 1.712 31.260 29.700 -0.254 0.000 1.279 286 E HN 0.098 nan 8.360 nan 0.000 0.438 287 I N 0.831 120.970 120.570 -0.718 0.000 2.412 287 I HA 0.269 4.439 4.170 0.000 0.000 0.296 287 I C -0.033 175.584 176.117 -0.834 0.000 0.987 287 I CA -0.141 60.650 61.300 -0.847 0.000 1.180 287 I CB 1.820 39.130 38.000 -1.150 0.000 1.340 287 I HN 0.299 nan 8.210 nan 0.000 0.455 288 T N 4.634 118.748 114.554 -0.733 0.000 2.861 288 T HA 0.547 4.897 4.350 0.000 0.000 0.287 288 T C -1.108 173.393 174.700 -0.333 0.000 1.003 288 T CA -0.345 61.447 62.100 -0.513 0.000 0.977 288 T CB 0.946 69.429 68.868 -0.640 0.000 0.996 288 T HN 0.564 nan 8.240 nan 0.000 0.448 289 c N 3.032 121.658 118.600 0.043 0.000 2.441 289 c HA 0.725 5.295 4.570 0.000 0.000 0.318 289 c C -0.111 174.172 174.090 0.321 0.000 1.222 289 c CA -0.872 55.572 56.329 0.191 0.000 1.474 289 c CB 0.877 43.531 42.510 0.239 0.000 2.125 289 c HN 0.674 nan 8.230 nan 0.000 0.479 290 V N 2.953 123.039 119.914 0.287 0.000 2.357 290 V HA 0.459 4.579 4.120 0.000 0.000 0.284 290 V C 0.237 176.424 176.094 0.155 0.000 1.018 290 V CA -0.047 62.400 62.300 0.244 0.000 0.841 290 V CB 0.757 32.698 31.823 0.197 0.000 0.991 290 V HN 1.166 nan 8.190 nan 0.000 0.437 291 c N 3.850 122.515 118.600 0.108 0.000 2.942 291 c HA 0.745 5.315 4.570 0.000 0.000 0.353 291 c C 0.267 174.336 174.090 -0.036 0.000 2.933 291 c CA -0.943 55.424 56.329 0.063 0.000 1.840 291 c CB 1.214 43.811 42.510 0.145 0.000 2.833 291 c HN 0.869 nan 8.230 nan 0.000 0.440 292 R N 1.018 121.497 120.500 -0.035 0.000 2.561 292 R HA 0.403 4.744 4.340 0.000 0.000 0.297 292 R C -1.982 174.323 176.300 0.007 0.000 0.969 292 R CA -0.073 56.000 56.100 -0.045 0.000 0.879 292 R CB 1.133 31.409 30.300 -0.041 0.000 1.178 292 R HN 0.839 nan 8.270 nan 0.000 0.445 293 D N 3.224 123.629 120.400 0.008 0.000 2.427 293 D HA 0.083 4.723 4.640 0.000 0.000 0.226 293 D C -0.290 176.043 176.300 0.054 0.000 1.076 293 D CA -0.268 53.803 54.000 0.119 0.000 0.849 293 D CB 1.344 42.224 40.800 0.134 0.000 1.052 293 D HN 0.620 nan 8.370 nan 0.000 0.515 294 N N 3.109 121.819 118.700 0.017 0.000 2.422 294 N HA -0.007 4.733 4.740 0.000 0.000 0.181 294 N C 0.936 176.375 175.510 -0.118 0.000 1.080 294 N CA 0.231 53.238 53.050 -0.070 0.000 0.893 294 N CB 0.102 38.597 38.487 0.013 0.000 0.973 294 N HN 0.519 nan 8.380 nan 0.000 0.456 295 W N 0.851 121.777 121.300 -0.624 0.000 2.674 295 W HA 0.095 4.755 4.660 0.000 0.000 0.298 295 W C 0.179 176.569 176.519 -0.215 0.000 1.115 295 W CA 1.599 58.616 57.345 -0.546 0.000 1.532 295 W CB -0.543 28.377 29.460 -0.900 0.000 1.142 295 W HN 0.296 nan 8.180 nan 0.000 0.528 296 H N -1.563 117.342 119.070 -0.276 0.000 3.074 296 H HA 0.566 5.122 4.556 0.000 0.000 0.227 296 H C -0.316 174.818 175.328 -0.324 0.000 1.365 296 H CA -0.973 54.828 56.048 -0.411 0.000 1.078 296 H CB -0.331 28.928 29.762 -0.839 0.000 2.347 296 H HN 0.054 nan 8.280 nan 0.000 0.567 297 G N -0.433 108.382 108.800 0.024 0.000 2.617 297 G HA2 0.459 4.419 3.960 0.000 0.000 0.306 297 G HA3 0.459 4.419 3.960 0.000 0.000 0.306 297 G C 0.179 175.047 174.900 -0.054 0.000 1.360 297 G CA -0.493 44.586 45.100 -0.036 0.000 0.983 297 G HN 0.238 nan 8.290 nan 0.000 0.496 298 S N 0.691 116.307 115.700 -0.141 0.000 2.502 298 S HA 0.075 4.545 4.470 0.000 0.000 0.215 298 S C 0.815 175.381 174.600 -0.057 0.000 1.009 298 S CA -0.331 57.772 58.200 -0.161 0.000 0.908 298 S CB -0.057 62.924 63.200 -0.365 0.000 0.801 298 S HN 0.709 nan 8.310 nan 0.000 0.505 299 N N 2.123 120.831 118.700 0.013 0.000 2.495 299 N HA 0.288 5.028 4.740 0.000 0.000 0.280 299 N C -0.783 174.796 175.510 0.116 0.000 1.168 299 N CA -0.687 52.444 53.050 0.135 0.000 0.978 299 N CB 0.632 39.236 38.487 0.196 0.000 1.191 299 N HN 0.100 nan 8.380 nan 0.000 0.497 300 R N 0.363 120.878 120.500 0.025 0.000 2.357 300 R HA 0.379 4.719 4.340 0.000 0.000 0.296 300 R C -2.066 174.073 176.300 -0.268 0.000 1.052 300 R CA -1.434 54.610 56.100 -0.093 0.000 0.988 300 R CB 0.926 31.174 30.300 -0.087 0.000 1.025 300 R HN 0.544 nan 8.270 nan 0.000 0.469 301 P HA 0.177 nan 4.420 nan 0.000 0.279 301 P C -0.863 176.271 177.300 -0.276 0.000 1.252 301 P CA -0.317 62.122 63.100 -1.103 0.000 0.811 301 P CB 0.867 31.593 31.700 -1.623 0.000 1.035 302 W N 0.222 121.446 121.300 -0.126 0.000 3.029 302 W HA 0.668 5.328 4.660 0.000 0.000 0.339 302 W C -2.336 174.383 176.519 0.333 0.000 1.198 302 W CA -1.237 56.205 57.345 0.162 0.000 1.148 302 W CB 0.850 30.380 29.460 0.117 0.000 1.451 302 W HN -0.005 nan 8.180 nan 0.000 0.564 303 V N 2.133 122.448 119.914 0.668 0.000 2.808 303 V HA 0.529 4.649 4.120 0.000 0.000 0.308 303 V C -0.380 176.044 176.094 0.550 0.000 1.099 303 V CA -0.698 61.872 62.300 0.450 0.000 0.920 303 V CB 1.711 33.588 31.823 0.089 0.000 1.014 303 V HN 0.677 nan 8.190 nan 0.000 0.425 304 S N 3.796 119.832 115.700 0.559 0.000 2.541 304 S HA 0.956 5.426 4.470 0.000 0.000 0.280 304 S C -1.071 173.705 174.600 0.294 0.000 1.112 304 S CA -0.660 57.676 58.200 0.228 0.000 0.925 304 S CB 2.081 65.378 63.200 0.162 0.000 1.067 304 S HN 1.032 nan 8.310 nan 0.000 0.479 305 F N -0.005 119.958 119.950 0.021 0.000 2.662 305 F HA 0.762 5.289 4.527 0.000 0.000 0.312 305 F C -0.467 175.260 175.800 -0.121 0.000 1.113 305 F CA -1.165 56.833 58.000 -0.002 0.000 0.951 305 F CB 0.564 39.577 39.000 0.021 0.000 1.344 305 F HN 0.645 nan 8.300 nan 0.000 0.462 309 N N 1.017 119.808 118.700 0.153 0.000 2.276 309 N HA 0.124 4.864 4.740 0.000 0.000 0.212 309 N C -0.161 175.420 175.510 0.119 0.000 1.127 309 N CA 0.312 53.436 53.050 0.124 0.000 0.834 309 N CB 0.720 39.248 38.487 0.069 0.000 1.014 309 N HN 0.083 nan 8.380 nan 0.000 0.491 310 L N 0.552 121.881 121.223 0.176 0.000 4.001 310 L HA -0.250 4.090 4.340 0.000 0.000 0.413 310 L C -0.360 176.597 176.870 0.145 0.000 1.185 310 L CA 0.871 55.781 54.840 0.115 0.000 0.963 310 L CB -2.110 39.956 42.059 0.012 0.000 1.976 310 L HN 0.229 nan 8.230 nan 0.000 0.939 311 E N -0.126 120.150 120.200 0.126 0.000 2.152 311 E HA 0.479 4.829 4.350 0.000 0.000 0.285 311 E C -0.117 176.542 176.600 0.099 0.000 1.043 311 E CA -0.432 55.987 56.400 0.030 0.000 0.839 311 E CB 0.633 30.327 29.700 -0.010 0.000 1.069 311 E HN 0.391 nan 8.360 nan 0.000 0.399 312 Y N 0.309 120.641 120.300 0.054 0.000 2.650 312 Y HA 0.593 5.143 4.550 0.000 0.000 0.331 312 Y C -0.326 175.626 175.900 0.087 0.000 1.082 312 Y CA -1.231 56.938 58.100 0.114 0.000 1.171 312 Y CB 1.165 39.674 38.460 0.082 0.000 1.326 312 Y HN 0.282 nan 8.280 nan 0.000 0.513 313 Q N 1.326 121.345 119.800 0.365 0.000 2.451 313 Q HA 0.749 5.089 4.340 0.000 0.000 0.281 313 Q C -1.205 174.929 176.000 0.224 0.000 1.099 313 Q CA -1.121 54.843 55.803 0.268 0.000 0.806 313 Q CB 3.483 32.430 28.738 0.348 0.000 1.419 313 Q HN 0.819 nan 8.270 nan 0.000 0.427 314 I N -3.265 117.198 120.570 -0.178 0.000 3.279 314 I HA 1.001 5.171 4.170 0.000 0.000 0.315 314 I C -0.146 175.270 176.117 -1.169 0.000 1.187 314 I CA -0.947 59.935 61.300 -0.697 0.000 0.953 314 I CB 2.408 40.102 38.000 -0.511 0.000 1.279 314 I HN 0.717 nan 8.210 nan 0.000 0.465 315 G N 0.377 108.458 108.800 -1.198 0.000 2.327 315 G HA2 0.403 4.363 3.960 0.000 0.000 0.291 315 G HA3 0.403 4.363 3.960 0.000 0.000 0.291 315 G C -2.564 171.913 174.900 -0.704 0.000 1.290 315 G CA -0.709 43.961 45.100 -0.717 0.000 0.857 315 G HN 0.628 nan 8.290 nan 0.000 0.520 316 Y N -0.572 119.578 120.300 -0.250 0.000 2.499 316 Y HA 0.632 5.182 4.550 0.000 0.000 0.347 316 Y C 0.843 176.760 175.900 0.028 0.000 0.987 316 Y CA -0.737 57.310 58.100 -0.088 0.000 1.044 316 Y CB 1.965 40.311 38.460 -0.189 0.000 1.245 316 Y HN 0.498 nan 8.280 nan 0.000 0.461 317 I N 2.697 123.280 120.570 0.022 0.000 2.587 317 I HA -0.128 4.042 4.170 0.000 0.000 0.284 317 I C 0.416 176.490 176.117 -0.071 0.000 1.134 317 I CA 0.272 61.423 61.300 -0.247 0.000 1.410 317 I CB 0.375 38.220 38.000 -0.258 0.000 1.392 317 I HN 0.821 nan 8.210 nan 0.000 0.545 318 c N 3.294 121.840 118.600 -0.090 0.000 2.464 318 c HA -0.048 4.522 4.570 0.000 0.000 0.278 318 c C 1.768 175.827 174.090 -0.051 0.000 1.375 318 c CA -0.130 56.184 56.329 -0.026 0.000 1.761 318 c CB -0.906 41.601 42.510 -0.006 0.000 1.944 318 c HN 0.876 nan 8.230 nan 0.000 0.509 319 S N 1.187 116.832 115.700 -0.091 0.000 2.715 319 S HA 0.127 4.597 4.470 0.000 0.000 0.318 319 S C 1.297 175.730 174.600 -0.277 0.000 1.242 319 S CA 0.634 58.741 58.200 -0.154 0.000 1.044 319 S CB 0.336 63.440 63.200 -0.161 0.000 0.760 319 S HN 0.662 nan 8.310 nan 0.000 0.501 320 G N 3.490 112.062 108.800 -0.380 0.000 2.956 320 G HA2 0.163 4.123 3.960 0.000 0.000 0.207 320 G HA3 0.163 4.123 3.960 0.000 0.000 0.207 320 G C 0.124 174.384 174.900 -1.066 0.000 1.162 320 G CA -0.094 44.528 45.100 -0.797 0.000 0.796 320 G HN 0.653 nan 8.290 nan 0.000 0.527 321 V N 2.243 121.787 119.914 -0.617 0.000 2.221 321 V HA 0.293 4.413 4.120 0.000 0.000 0.258 321 V C -0.271 175.598 176.094 -0.374 0.000 1.179 321 V CA -1.006 61.032 62.300 -0.437 0.000 1.022 321 V CB -0.721 30.924 31.823 -0.297 0.000 1.228 321 V HN 0.228 nan 8.190 nan 0.000 0.487 322 F N 1.902 121.793 119.950 -0.098 0.000 2.578 322 F HA 0.282 4.809 4.527 0.000 0.000 0.376 322 F C 1.620 177.342 175.800 -0.130 0.000 1.085 322 F CA 0.331 58.270 58.000 -0.101 0.000 1.260 322 F CB 0.768 39.720 39.000 -0.080 0.000 1.095 322 F HN 0.461 nan 8.300 nan 0.000 0.573 323 G N 1.334 110.163 108.800 0.047 0.000 2.986 323 G HA2 -0.051 3.909 3.960 0.000 0.000 0.213 323 G HA3 -0.051 3.909 3.960 0.000 0.000 0.213 323 G C 0.106 174.960 174.900 -0.076 0.000 1.156 323 G CA -0.060 44.989 45.100 -0.085 0.000 0.763 323 G HN 0.522 nan 8.290 nan 0.000 0.547 324 D N 0.249 120.635 120.400 -0.023 0.000 2.451 324 D HA 0.244 4.884 4.640 0.000 0.000 0.259 324 D C -0.519 175.767 176.300 -0.023 0.000 1.201 324 D CA -0.509 53.466 54.000 -0.041 0.000 1.028 324 D CB 0.804 41.579 40.800 -0.042 0.000 1.095 324 D HN 0.059 nan 8.370 nan 0.000 0.539 325 N N 0.606 119.292 118.700 -0.024 0.000 2.503 325 N HA 0.222 4.962 4.740 0.000 0.000 0.287 325 N C -2.986 172.539 175.510 0.026 0.000 1.096 325 N CA -1.262 51.800 53.050 0.020 0.000 0.936 325 N CB 2.503 41.022 38.487 0.054 0.000 1.570 325 N HN 0.120 nan 8.380 nan 0.000 0.504 326 P HA 0.192 nan 4.420 nan 0.000 0.274 326 P C -0.739 176.570 177.300 0.016 0.000 1.264 326 P CA 0.169 63.317 63.100 0.080 0.000 0.795 326 P CB 1.026 32.795 31.700 0.116 0.000 1.064 327 R N -2.661 117.836 120.500 -0.006 0.000 2.780 327 R HA 0.538 4.878 4.340 0.000 0.000 0.280 327 R C -3.130 173.133 176.300 -0.063 0.000 1.016 327 R CA -1.618 54.441 56.100 -0.069 0.000 0.854 327 R CB 0.154 30.448 30.300 -0.011 0.000 1.293 327 R HN 0.183 nan 8.270 nan 0.000 0.483 328 P HA 0.208 nan 4.420 nan 0.000 0.301 328 P C -0.949 176.419 177.300 0.114 0.000 1.309 328 P CA -0.634 62.439 63.100 -0.045 0.000 0.782 328 P CB 0.560 32.170 31.700 -0.150 0.000 1.282 329 N N 0.552 119.320 118.700 0.113 0.000 2.479 329 N HA 0.043 4.783 4.740 0.000 0.000 0.257 329 N C -0.232 175.416 175.510 0.229 0.000 1.232 329 N CA 0.235 53.362 53.050 0.129 0.000 0.920 329 N CB -0.230 38.303 38.487 0.076 0.000 1.105 329 N HN 0.306 nan 8.380 nan 0.000 0.444 330 D N 0.902 121.385 120.400 0.138 0.000 2.368 330 D HA 0.107 4.747 4.640 0.000 0.000 0.268 330 D C 0.976 177.269 176.300 -0.012 0.000 1.298 330 D CA 0.339 54.326 54.000 -0.022 0.000 0.938 330 D CB 0.310 41.036 40.800 -0.123 0.000 1.101 330 D HN 0.562 nan 8.370 nan 0.000 0.509 331 G N 1.562 110.412 108.800 0.083 0.000 3.306 331 G HA2 0.297 4.257 3.960 0.000 0.000 0.202 331 G HA3 0.297 4.257 3.960 0.000 0.000 0.202 331 G C -0.296 174.595 174.900 -0.015 0.000 1.673 331 G CA -0.194 44.958 45.100 0.087 0.000 0.776 331 G HN 0.347 nan 8.290 nan 0.000 0.740 332 T N 0.243 114.859 114.554 0.103 0.000 2.807 332 T HA 0.620 4.970 4.350 0.000 0.000 0.279 332 T C 0.336 175.142 174.700 0.177 0.000 0.993 332 T CA 0.061 62.183 62.100 0.037 0.000 0.970 332 T CB 1.433 70.321 68.868 0.033 0.000 0.950 332 T HN 0.629 nan 8.240 nan 0.000 0.441 340 P HA 0.010 nan 4.420 nan 0.000 0.260 340 P C 0.135 177.040 177.300 -0.658 0.000 1.147 340 P CA 0.262 62.667 63.100 -1.158 0.000 0.758 340 P CB 0.612 31.608 31.700 -1.172 0.000 0.744 341 V N 4.317 123.956 119.914 -0.458 0.000 2.339 341 V HA -0.009 4.111 4.120 0.000 0.000 0.261 341 V C 2.067 177.936 176.094 -0.375 0.000 1.058 341 V CA 0.625 62.696 62.300 -0.382 0.000 0.897 341 V CB 0.145 31.720 31.823 -0.414 0.000 1.052 341 V HN 0.709 nan 8.190 nan 0.000 0.480 342 S N 3.691 119.174 115.700 -0.361 0.000 2.345 342 S HA -0.098 4.372 4.470 0.000 0.000 0.220 342 S C 1.224 175.685 174.600 -0.231 0.000 1.031 342 S CA 0.674 58.693 58.200 -0.303 0.000 0.996 342 S CB -0.501 62.528 63.200 -0.285 0.000 0.882 342 S HN 0.864 nan 8.310 nan 0.000 0.445 343 S N 3.005 118.569 115.700 -0.226 0.000 2.931 343 S HA 0.042 4.512 4.470 0.000 0.000 0.342 343 S C 0.613 175.093 174.600 -0.200 0.000 1.220 343 S CA 0.281 58.367 58.200 -0.190 0.000 1.045 343 S CB -0.520 62.561 63.200 -0.199 0.000 0.758 343 S HN 0.570 nan 8.310 nan 0.000 0.508 344 N N 1.995 120.619 118.700 -0.127 0.000 2.857 344 N HA -0.169 4.571 4.740 0.000 0.000 0.242 344 N C 0.753 176.214 175.510 -0.082 0.000 0.983 344 N CA 1.586 54.583 53.050 -0.089 0.000 0.934 344 N CB -1.434 36.997 38.487 -0.093 0.000 1.115 344 N HN 0.998 nan 8.380 nan 0.000 0.593 345 G N -0.793 107.934 108.800 -0.123 0.000 3.327 345 G HA2 0.399 4.360 3.960 0.000 0.000 0.240 345 G HA3 0.399 4.360 3.960 0.000 0.000 0.240 345 G C 0.945 175.832 174.900 -0.022 0.000 1.222 345 G CA 0.577 45.621 45.100 -0.093 0.000 0.871 345 G HN 0.511 nan 8.290 nan 0.000 0.525 346 A N -0.458 122.373 122.820 0.019 0.000 2.412 346 A HA 0.571 4.891 4.320 0.000 0.000 0.253 346 A C 0.183 177.869 177.584 0.170 0.000 1.334 346 A CA -0.194 51.885 52.037 0.070 0.000 0.929 346 A CB -0.210 18.823 19.000 0.054 0.000 0.983 346 A HN 0.488 nan 8.150 nan 0.000 0.508 347 Y N -1.844 118.456 120.300 0.001 0.000 2.990 347 Y HA 0.573 5.123 4.550 0.000 0.000 0.244 347 Y C 0.451 176.366 175.900 0.026 0.000 2.223 347 Y CA -0.242 57.869 58.100 0.018 0.000 0.976 347 Y CB 0.226 38.702 38.460 0.026 0.000 2.399 347 Y HN 0.615 nan 8.280 nan 0.000 0.388 348 G N 0.328 108.675 108.800 -0.756 0.000 2.350 348 G HA2 0.446 4.406 3.960 0.000 0.000 0.276 348 G HA3 0.446 4.406 3.960 0.000 0.000 0.276 348 G C -2.322 172.286 174.900 -0.487 0.000 1.313 348 G CA -0.041 44.799 45.100 -0.434 0.000 0.903 348 G HN 1.243 nan 8.290 nan 0.000 0.490 349 V N -0.001 119.759 119.914 -0.257 0.000 3.000 349 V HA 0.657 4.778 4.120 0.000 0.000 0.300 349 V C -0.304 175.580 176.094 -0.351 0.000 1.251 349 V CA -0.678 61.489 62.300 -0.221 0.000 0.972 349 V CB 1.885 33.693 31.823 -0.025 0.000 1.065 349 V HN 1.061 nan 8.190 nan 0.000 0.431 350 K N 3.400 123.313 120.400 -0.812 0.000 2.472 350 K HA 0.454 4.774 4.320 0.000 0.000 0.280 350 K C 0.090 176.557 176.600 -0.222 0.000 1.028 350 K CA 1.007 56.966 56.287 -0.546 0.000 1.045 350 K CB 0.363 32.466 32.500 -0.663 0.000 0.902 350 K HN 0.981 nan 8.250 nan 0.000 0.478 351 G N 2.842 111.586 108.800 -0.093 0.000 3.105 351 G HA2 0.706 4.666 3.960 0.000 0.000 0.277 351 G HA3 0.706 4.666 3.960 0.000 0.000 0.277 351 G C -1.412 173.514 174.900 0.043 0.000 1.375 351 G CA -0.911 44.180 45.100 -0.015 0.000 0.962 351 G HN 0.635 nan 8.290 nan 0.000 0.541 352 F N -2.253 117.605 119.950 -0.152 0.000 2.715 352 F HA 0.898 5.425 4.527 0.000 0.000 0.318 352 F C -0.558 175.110 175.800 -0.219 0.000 1.141 352 F CA -1.504 56.374 58.000 -0.203 0.000 0.950 352 F CB 1.690 40.502 39.000 -0.312 0.000 1.374 352 F HN 0.596 nan 8.300 nan 0.000 0.477 353 S N -0.050 115.436 115.700 -0.357 0.000 2.558 353 S HA 0.620 5.090 4.470 0.000 0.000 0.277 353 S C -1.982 172.497 174.600 -0.202 0.000 1.143 353 S CA -0.696 57.346 58.200 -0.264 0.000 0.865 353 S CB 1.148 64.321 63.200 -0.045 0.000 1.102 353 S HN 0.569 nan 8.310 nan 0.000 0.454 354 F N 2.350 122.552 119.950 0.419 0.000 2.444 354 F HA 0.508 5.035 4.527 0.000 0.000 0.342 354 F C 0.352 176.382 175.800 0.384 0.000 1.121 354 F CA -0.702 57.483 58.000 0.308 0.000 0.997 354 F CB 1.400 40.618 39.000 0.363 0.000 1.130 354 F HN 0.338 nan 8.300 nan 0.000 0.454 355 K N 3.534 124.081 120.400 0.244 0.000 2.172 355 K HA 0.415 4.735 4.320 0.000 0.000 0.276 355 K C -1.952 174.585 176.600 -0.105 0.000 1.013 355 K CA -0.399 55.806 56.287 -0.136 0.000 0.913 355 K CB 0.742 32.595 32.500 -1.077 0.000 1.055 355 K HN 0.659 nan 8.250 nan 0.000 0.461 356 Y N 3.010 123.342 120.300 0.052 0.000 2.333 356 Y HA 0.256 4.806 4.550 0.000 0.000 0.324 356 Y C 0.771 176.695 175.900 0.040 0.000 1.033 356 Y CA 0.265 58.419 58.100 0.089 0.000 1.224 356 Y CB 1.786 40.377 38.460 0.219 0.000 1.120 356 Y HN 1.062 nan 8.280 nan 0.000 0.457 357 G N 2.777 111.602 108.800 0.041 0.000 2.622 357 G HA2 -0.408 3.552 3.960 0.000 0.000 0.307 357 G HA3 -0.408 3.552 3.960 0.000 0.000 0.307 357 G C 0.895 175.751 174.900 -0.073 0.000 1.226 357 G CA 0.822 45.921 45.100 -0.001 0.000 0.997 357 G HN 0.596 nan 8.290 nan 0.000 0.551 358 N N 2.634 121.340 118.700 0.010 0.000 2.336 358 N HA 0.236 4.976 4.740 0.000 0.000 0.189 358 N C 0.965 176.515 175.510 0.067 0.000 1.113 358 N CA 1.010 54.078 53.050 0.030 0.000 0.858 358 N CB 0.447 38.968 38.487 0.057 0.000 0.970 358 N HN 0.798 nan 8.380 nan 0.000 0.471 359 G N -0.067 108.783 108.800 0.084 0.000 2.488 359 G HA2 0.564 4.524 3.960 0.000 0.000 0.318 359 G HA3 0.564 4.524 3.960 0.000 0.000 0.318 359 G C -0.612 174.396 174.900 0.179 0.000 1.188 359 G CA -0.276 44.800 45.100 -0.040 0.000 0.944 359 G HN -0.060 nan 8.290 nan 0.000 0.495 360 V N -1.403 118.536 119.914 0.043 0.000 2.841 360 V HA 0.476 4.596 4.120 0.000 0.000 0.310 360 V C -1.488 174.849 176.094 0.406 0.000 1.090 360 V CA -0.963 61.556 62.300 0.365 0.000 0.930 360 V CB 2.117 34.111 31.823 0.285 0.000 1.014 360 V HN 0.778 nan 8.190 nan 0.000 0.425 361 W N 3.808 125.488 121.300 0.633 0.000 2.291 361 W HA 0.731 5.391 4.660 0.000 0.000 0.312 361 W C -0.304 176.336 176.519 0.203 0.000 1.061 361 W CA -0.181 57.517 57.345 0.588 0.000 1.296 361 W CB 1.351 31.298 29.460 0.811 0.000 1.223 361 W HN 0.427 nan 8.180 nan 0.000 0.421 362 I N 3.982 124.675 120.570 0.205 0.000 2.412 362 I HA 0.548 4.718 4.170 0.000 0.000 0.296 362 I C 0.796 176.699 176.117 -0.358 0.000 0.987 362 I CA -0.647 60.561 61.300 -0.155 0.000 1.180 362 I CB 1.291 39.166 38.000 -0.209 0.000 1.340 362 I HN 0.421 nan 8.210 nan 0.000 0.455 363 G N 5.561 113.903 108.800 -0.764 0.000 2.415 363 G HA2 0.813 4.773 3.960 0.000 0.000 0.327 363 G HA3 0.813 4.773 3.960 0.000 0.000 0.327 363 G C -0.921 173.452 174.900 -0.879 0.000 1.182 363 G CA -0.543 44.023 45.100 -0.891 0.000 0.924 363 G HN 0.772 nan 8.290 nan 0.000 0.470 364 R N -0.514 119.265 120.500 -1.201 0.000 2.728 364 R HA 0.684 5.024 4.340 0.000 0.000 0.274 364 R C -0.204 175.547 176.300 -0.915 0.000 1.030 364 R CA -0.823 54.792 56.100 -0.807 0.000 0.876 364 R CB 0.388 30.427 30.300 -0.436 0.000 1.259 364 R HN 0.599 nan 8.270 nan 0.000 0.468 365 T N -1.246 113.127 114.554 -0.303 0.000 2.754 365 T HA 0.286 4.636 4.350 0.000 0.000 0.286 365 T C 0.603 175.242 174.700 -0.102 0.000 0.997 365 T CA -0.623 61.447 62.100 -0.050 0.000 0.982 365 T CB 1.178 70.114 68.868 0.113 0.000 1.027 365 T HN 0.675 nan 8.240 nan 0.000 0.529 366 K N -0.118 120.274 120.400 -0.015 0.000 2.244 366 K HA 0.170 4.490 4.320 0.000 0.000 0.200 366 K C 1.450 178.048 176.600 -0.003 0.000 1.052 366 K CA 0.060 56.328 56.287 -0.032 0.000 0.980 366 K CB 0.143 32.639 32.500 -0.007 0.000 0.838 366 K HN 0.558 nan 8.250 nan 0.000 0.481 367 S N 0.610 116.327 115.700 0.028 0.000 2.603 367 S HA 0.023 4.493 4.470 0.000 0.000 0.268 367 S C 1.103 175.732 174.600 0.048 0.000 1.317 367 S CA -0.109 58.115 58.200 0.041 0.000 1.012 367 S CB 1.032 64.270 63.200 0.063 0.000 0.926 367 S HN 0.369 nan 8.310 nan 0.000 0.539 368 T N 0.320 114.904 114.554 0.050 0.000 3.023 368 T HA 0.281 4.632 4.350 0.000 0.000 0.253 368 T C 0.716 175.454 174.700 0.064 0.000 1.038 368 T CA -0.212 61.919 62.100 0.050 0.000 0.962 368 T CB -0.158 68.736 68.868 0.043 0.000 1.018 368 T HN 0.578 nan 8.240 nan 0.000 0.521 369 N N 0.576 119.324 118.700 0.080 0.000 2.227 369 N HA 0.282 5.022 4.740 0.000 0.000 0.196 369 N C -0.179 175.418 175.510 0.144 0.000 1.142 369 N CA -0.024 53.085 53.050 0.098 0.000 0.887 369 N CB 1.194 39.728 38.487 0.079 0.000 1.022 369 N HN 0.264 nan 8.380 nan 0.000 0.500 370 S N -0.177 115.623 115.700 0.167 0.000 2.697 370 S HA 0.450 4.921 4.470 0.000 0.000 0.289 370 S C -0.345 174.416 174.600 0.268 0.000 1.149 370 S CA -0.724 57.623 58.200 0.245 0.000 0.850 370 S CB 2.212 65.606 63.200 0.324 0.000 1.151 370 S HN 0.012 nan 8.310 nan 0.000 0.491 371 R N 2.020 122.730 120.500 0.350 0.000 2.870 371 R HA 0.397 4.737 4.340 0.000 0.000 0.254 371 R C -0.624 175.944 176.300 0.446 0.000 1.392 371 R CA -0.219 56.091 56.100 0.351 0.000 1.322 371 R CB 0.135 30.628 30.300 0.323 0.000 1.205 371 R HN 0.563 nan 8.270 nan 0.000 0.597 372 S N 0.014 115.900 115.700 0.309 0.000 2.575 372 S HA 0.775 5.245 4.470 0.000 0.000 0.278 372 S C 0.057 174.741 174.600 0.141 0.000 1.139 372 S CA -0.368 57.953 58.200 0.201 0.000 0.954 372 S CB 2.189 65.383 63.200 -0.010 0.000 1.054 372 S HN 0.743 nan 8.310 nan 0.000 0.483 373 G N 1.109 110.000 108.800 0.151 0.000 2.787 373 G HA2 0.192 4.152 3.960 0.000 0.000 0.685 373 G HA3 0.192 4.152 3.960 0.000 0.000 0.685 373 G C -1.104 173.965 174.900 0.281 0.000 1.437 373 G CA -0.307 44.889 45.100 0.159 0.000 0.872 373 G HN 1.647 nan 8.290 nan 0.000 0.566 374 F N 0.658 120.658 119.950 0.083 0.000 2.678 374 F HA 0.656 5.183 4.527 0.000 0.000 0.308 374 F C -0.570 175.254 175.800 0.040 0.000 1.118 374 F CA 0.041 58.082 58.000 0.068 0.000 0.959 374 F CB 1.915 40.996 39.000 0.136 0.000 1.305 374 F HN 1.058 nan 8.300 nan 0.000 0.443 375 E N 4.604 124.555 120.200 -0.415 0.000 2.375 375 E HA 0.475 4.825 4.350 0.000 0.000 0.280 375 E C -1.972 174.432 176.600 -0.327 0.000 0.972 375 E CA -1.174 55.113 56.400 -0.188 0.000 0.782 375 E CB 2.249 31.864 29.700 -0.142 0.000 1.229 375 E HN 0.368 nan 8.360 nan 0.000 0.439 376 M N 2.614 122.163 119.600 -0.086 0.000 2.268 376 M HA 0.507 4.987 4.480 0.000 0.000 0.344 376 M C -0.725 175.707 176.300 0.220 0.000 1.106 376 M CA -0.680 54.620 55.300 0.000 0.000 1.010 376 M CB 0.790 33.375 32.600 -0.025 0.000 1.649 376 M HN 0.628 nan 8.290 nan 0.000 0.443 377 I N 2.292 122.937 120.570 0.125 0.000 2.465 377 I HA 0.365 4.535 4.170 0.000 0.000 0.291 377 I C -0.982 175.064 176.117 -0.117 0.000 1.014 377 I CA -0.564 60.664 61.300 -0.121 0.000 1.093 377 I CB 2.389 40.050 38.000 -0.565 0.000 1.267 377 I HN 0.721 nan 8.210 nan 0.000 0.431 378 W N 7.726 128.688 121.300 -0.563 0.000 2.322 378 W HA 0.329 4.989 4.660 0.000 0.000 0.321 378 W C -1.225 175.069 176.519 -0.375 0.000 0.991 378 W CA -0.510 56.267 57.345 -0.946 0.000 1.448 378 W CB 1.203 29.754 29.460 -1.516 0.000 1.239 378 W HN 0.478 nan 8.180 nan 0.000 0.399 379 D N 9.081 128.945 120.400 -0.894 0.000 2.473 379 D HA 0.302 4.943 4.640 0.000 0.000 0.226 379 D C -2.027 173.572 176.300 -1.167 0.000 1.089 379 D CA -2.254 51.301 54.000 -0.742 0.000 0.883 379 D CB 1.528 42.119 40.800 -0.348 0.000 1.029 379 D HN 0.058 nan 8.370 nan 0.000 0.517 380 P HA 0.016 nan 4.420 nan 0.000 0.272 380 P C -0.237 176.768 177.300 -0.492 0.000 1.248 380 P CA -0.267 62.187 63.100 -1.076 0.000 0.799 380 P CB 0.380 31.776 31.700 -0.507 0.000 0.997 381 N N -0.749 117.804 118.700 -0.245 0.000 2.722 381 N HA -0.187 4.553 4.740 0.000 0.000 0.274 381 N C 0.942 176.384 175.510 -0.112 0.000 0.987 381 N CA 1.414 54.398 53.050 -0.110 0.000 0.817 381 N CB -1.493 36.949 38.487 -0.074 0.000 0.921 381 N HN 0.807 nan 8.380 nan 0.000 0.565 382 G N -1.775 106.974 108.800 -0.085 0.000 3.155 382 G HA2 -0.031 3.929 3.960 0.000 0.000 0.193 382 G HA3 -0.031 3.929 3.960 0.000 0.000 0.193 382 G C 0.696 175.618 174.900 0.036 0.000 1.215 382 G CA -0.057 44.994 45.100 -0.082 0.000 0.917 382 G HN 0.465 nan 8.290 nan 0.000 0.756 383 W N 2.730 123.977 121.300 -0.088 0.000 2.704 383 W HA 0.087 4.748 4.660 0.000 0.000 0.266 383 W C 1.291 177.815 176.519 0.008 0.000 1.266 383 W CA 1.689 59.005 57.345 -0.048 0.000 1.377 383 W CB 0.259 29.672 29.460 -0.077 0.000 1.082 383 W HN 0.185 nan 8.180 nan 0.000 0.608 384 T N -2.172 112.527 114.554 0.241 0.000 3.010 384 T HA 0.187 4.537 4.350 0.000 0.000 0.257 384 T C 0.199 174.947 174.700 0.081 0.000 1.020 384 T CA 0.020 62.225 62.100 0.176 0.000 0.938 384 T CB 0.588 69.586 68.868 0.217 0.000 1.049 384 T HN -0.233 nan 8.240 nan 0.000 0.522 385 E N 1.425 121.647 120.200 0.037 0.000 2.299 385 E HA 0.548 4.898 4.350 0.000 0.000 0.260 385 E C -1.013 175.569 176.600 -0.031 0.000 0.944 385 E CA -0.649 55.752 56.400 0.000 0.000 0.815 385 E CB 1.888 31.577 29.700 -0.017 0.000 1.252 385 E HN 0.049 nan 8.360 nan 0.000 0.418 386 T N 1.797 116.327 114.554 -0.040 0.000 2.809 386 T HA 0.492 4.842 4.350 0.000 0.000 0.296 386 T C -0.775 173.876 174.700 -0.082 0.000 1.015 386 T CA -0.650 61.414 62.100 -0.061 0.000 0.954 386 T CB 0.689 69.534 68.868 -0.038 0.000 0.950 386 T HN 0.193 nan 8.240 nan 0.000 0.450 387 D N 0.768 121.095 120.400 -0.121 0.000 2.895 387 D HA 0.513 5.153 4.640 0.000 0.000 0.320 387 D C 0.149 176.357 176.300 -0.153 0.000 1.249 387 D CA -0.583 53.347 54.000 -0.117 0.000 0.997 387 D CB 1.745 42.479 40.800 -0.110 0.000 1.430 387 D HN 0.334 nan 8.370 nan 0.000 0.558 388 S N -0.947 114.680 115.700 -0.122 0.000 2.817 388 S HA 0.133 4.603 4.470 0.000 0.000 0.262 388 S C 0.154 174.731 174.600 -0.039 0.000 1.051 388 S CA -0.415 57.719 58.200 -0.110 0.000 1.185 388 S CB 0.534 63.676 63.200 -0.096 0.000 1.152 388 S HN 0.422 nan 8.310 nan 0.000 0.653 389 S N 2.076 117.723 115.700 -0.087 0.000 2.501 389 S HA 0.887 5.357 4.470 0.000 0.000 0.301 389 S C -0.602 173.925 174.600 -0.122 0.000 1.096 389 S CA -0.755 57.334 58.200 -0.185 0.000 1.063 389 S CB 1.214 64.288 63.200 -0.210 0.000 1.042 389 S HN 0.379 nan 8.310 nan 0.000 0.494 390 F N -0.716 119.124 119.950 -0.184 0.000 2.685 390 F HA 0.743 5.270 4.527 0.000 0.000 0.315 390 F C 0.651 176.346 175.800 -0.174 0.000 1.126 390 F CA -0.845 57.007 58.000 -0.247 0.000 0.950 390 F CB 0.860 39.709 39.000 -0.251 0.000 1.360 390 F HN 0.477 nan 8.300 nan 0.000 0.469 391 S N -0.577 115.107 115.700 -0.027 0.000 2.470 391 S HA 0.420 4.890 4.470 0.000 0.000 0.222 391 S C 0.262 174.987 174.600 0.208 0.000 1.024 391 S CA 0.408 58.622 58.200 0.022 0.000 0.931 391 S CB 0.120 63.366 63.200 0.077 0.000 0.791 391 S HN 0.475 nan 8.310 nan 0.000 0.513 395 Q N 4.234 124.211 119.800 0.295 0.000 2.347 395 Q HA 0.225 4.565 4.340 0.000 0.000 0.265 395 Q C -1.061 175.086 176.000 0.246 0.000 1.024 395 Q CA -0.719 55.275 55.803 0.319 0.000 0.731 395 Q CB 1.097 30.098 28.738 0.438 0.000 1.245 395 Q HN 0.485 nan 8.270 nan 0.000 0.472 396 D N 4.045 124.583 120.400 0.230 0.000 2.423 396 D HA 0.082 4.722 4.640 0.000 0.000 0.238 396 D C 0.624 177.103 176.300 0.298 0.000 1.142 396 D CA 0.465 54.588 54.000 0.206 0.000 0.884 396 D CB 1.335 42.242 40.800 0.179 0.000 1.199 396 D HN 0.649 nan 8.370 nan 0.000 0.438 397 I N 0.054 120.803 120.570 0.298 0.000 4.399 397 I HA -0.003 4.167 4.170 0.000 0.000 0.301 397 I C -0.163 176.226 176.117 0.452 0.000 1.198 397 I CA 0.265 61.821 61.300 0.427 0.000 1.315 397 I CB 0.957 39.138 38.000 0.302 0.000 1.452 397 I HN 0.068 nan 8.210 nan 0.000 0.457 398 V N 1.572 121.688 119.914 0.337 0.000 2.638 398 V HA 0.640 4.760 4.120 0.000 0.000 0.306 398 V C -0.072 176.100 176.094 0.129 0.000 1.052 398 V CA -1.036 61.408 62.300 0.241 0.000 0.885 398 V CB 1.699 33.707 31.823 0.307 0.000 0.999 398 V HN 0.192 nan 8.190 nan 0.000 0.424 399 A N 4.179 127.017 122.820 0.030 0.000 2.425 399 A HA 0.480 4.800 4.320 0.000 0.000 0.242 399 A C 1.147 178.719 177.584 -0.020 0.000 1.077 399 A CA -0.157 51.872 52.037 -0.013 0.000 0.781 399 A CB 0.060 19.016 19.000 -0.074 0.000 1.020 399 A HN 0.851 nan 8.150 nan 0.000 0.494 400 I N 0.765 121.317 120.570 -0.030 0.000 2.567 400 I HA -0.179 3.992 4.170 0.000 0.000 0.257 400 I C 2.061 178.102 176.117 -0.126 0.000 1.184 400 I CA 1.743 63.012 61.300 -0.051 0.000 1.451 400 I CB -0.916 37.060 38.000 -0.039 0.000 1.089 400 I HN 0.811 nan 8.210 nan 0.000 0.441 401 T N -3.210 111.263 114.554 -0.136 0.000 3.148 401 T HA 0.124 4.474 4.350 0.000 0.000 0.253 401 T C 0.442 174.963 174.700 -0.298 0.000 1.134 401 T CA -0.051 61.927 62.100 -0.205 0.000 1.051 401 T CB -0.206 68.576 68.868 -0.143 0.000 0.959 401 T HN 0.187 nan 8.240 nan 0.000 0.525 402 D N 0.139 120.388 120.400 -0.251 0.000 2.575 402 D HA 0.272 4.912 4.640 0.000 0.000 0.236 402 D C -0.849 175.350 176.300 -0.168 0.000 1.075 402 D CA -0.693 53.154 54.000 -0.255 0.000 0.860 402 D CB 1.463 42.221 40.800 -0.071 0.000 1.475 402 D HN 0.358 nan 8.370 nan 0.000 0.474 403 W N 1.413 122.762 121.300 0.082 0.000 2.181 403 W HA 0.184 4.844 4.660 0.000 0.000 0.335 403 W C 1.418 178.021 176.519 0.140 0.000 1.310 403 W CA -0.232 57.174 57.345 0.101 0.000 1.226 403 W CB 0.644 30.150 29.460 0.076 0.000 1.155 403 W HN 0.302 nan 8.180 nan 0.000 0.565 404 S N 1.647 117.609 115.700 0.436 0.000 4.094 404 S HA 0.978 5.449 4.470 0.000 0.000 0.236 404 S C 0.220 175.026 174.600 0.345 0.000 1.056 404 S CA -0.129 58.287 58.200 0.360 0.000 1.564 404 S CB 1.346 64.776 63.200 0.384 0.000 1.097 404 S HN 0.980 nan 8.310 nan 0.000 0.734 405 G N -0.604 108.409 108.800 0.355 0.000 2.513 405 G HA2 0.315 4.276 3.960 0.000 0.000 0.182 405 G HA3 0.315 4.276 3.960 0.000 0.000 0.182 405 G C -1.683 173.512 174.900 0.491 0.000 1.190 405 G CA -0.728 44.605 45.100 0.388 0.000 0.987 405 G HN 0.561 nan 8.290 nan 0.000 0.479 406 Y N 1.488 121.954 120.300 0.276 0.000 2.652 406 Y HA 0.457 5.007 4.550 0.000 0.000 0.344 406 Y C 1.309 177.329 175.900 0.200 0.000 1.254 406 Y CA 0.082 58.362 58.100 0.301 0.000 1.480 406 Y CB 0.910 39.661 38.460 0.485 0.000 1.345 406 Y HN 0.885 nan 8.280 nan 0.000 0.617 407 S N 0.135 115.816 115.700 -0.033 0.000 2.579 407 S HA 0.940 5.410 4.470 0.000 0.000 0.272 407 S C -0.564 173.467 174.600 -0.948 0.000 1.141 407 S CA -0.243 57.617 58.200 -0.567 0.000 0.843 407 S CB 2.146 65.295 63.200 -0.086 0.000 1.122 407 S HN 1.066 nan 8.310 nan 0.000 0.468 408 G N 0.497 108.254 108.800 -1.739 0.000 2.687 408 G HA2 0.683 4.643 3.960 0.000 0.000 0.291 408 G HA3 0.683 4.643 3.960 0.000 0.000 0.291 408 G C -0.964 173.425 174.900 -0.853 0.000 1.420 408 G CA -0.306 44.302 45.100 -0.821 0.000 0.796 408 G HN 1.528 nan 8.290 nan 0.000 0.485 409 S N -1.011 114.560 115.700 -0.214 0.000 2.549 409 S HA 0.870 5.340 4.470 0.000 0.000 0.297 409 S C -0.653 174.205 174.600 0.430 0.000 1.115 409 S CA -0.665 57.517 58.200 -0.030 0.000 1.059 409 S CB 1.399 64.607 63.200 0.013 0.000 1.046 409 S HN 1.536 nan 8.310 nan 0.000 0.506 410 F N -0.308 119.825 119.950 0.305 0.000 2.629 410 F HA 0.914 5.441 4.527 0.000 0.000 0.316 410 F C -0.935 175.018 175.800 0.255 0.000 1.081 410 F CA -1.191 57.014 58.000 0.342 0.000 0.954 410 F CB 0.624 39.880 39.000 0.427 0.000 1.337 410 F HN 0.504 nan 8.300 nan 0.000 0.474 411 V N 1.028 121.129 119.914 0.313 0.000 4.114 411 V HA 0.565 4.685 4.120 0.000 0.000 0.293 411 V C 0.333 176.517 176.094 0.150 0.000 1.371 411 V CA -0.005 62.361 62.300 0.110 0.000 0.929 411 V CB 1.498 33.442 31.823 0.202 0.000 1.281 411 V HN 1.416 nan 8.190 nan 0.000 0.468 412 L N -1.121 120.139 121.223 0.063 0.000 2.794 412 L HA -0.208 4.132 4.340 0.000 0.000 0.442 412 L C 1.066 177.956 176.870 0.035 0.000 0.710 412 L CA 2.697 57.567 54.840 0.050 0.000 2.990 412 L CB -1.869 40.220 42.059 0.050 0.000 0.803 412 L HN 0.666 nan 8.230 nan 0.000 0.711 413 T N -0.700 113.871 114.554 0.027 0.000 2.983 413 T HA 0.472 4.822 4.350 0.000 0.000 0.250 413 T C 1.527 176.232 174.700 0.008 0.000 1.037 413 T CA 1.599 63.706 62.100 0.013 0.000 1.142 413 T CB 0.195 69.061 68.868 -0.004 0.000 0.876 413 T HN 1.433 nan 8.240 nan 0.000 0.455 414 G N 0.674 109.480 108.800 0.010 0.000 2.213 414 G HA2 -0.185 3.775 3.960 0.000 0.000 0.236 414 G HA3 -0.185 3.775 3.960 0.000 0.000 0.236 414 G C 0.050 174.948 174.900 -0.002 0.000 0.991 414 G CA -0.099 45.005 45.100 0.007 0.000 0.629 414 G HN 0.375 nan 8.290 nan 0.000 0.517 415 L N 2.024 123.242 121.223 -0.009 0.000 2.474 415 L HA 0.359 4.699 4.340 0.000 0.000 0.259 415 L C 1.497 178.359 176.870 -0.013 0.000 1.232 415 L CA 0.910 55.739 54.840 -0.018 0.000 0.821 415 L CB 0.499 42.538 42.059 -0.032 0.000 1.108 415 L HN 0.388 nan 8.230 nan 0.000 0.495 416 D N -1.086 119.304 120.400 -0.017 0.000 2.368 416 D HA 0.094 4.734 4.640 0.000 0.000 0.218 416 D C 0.066 176.358 176.300 -0.015 0.000 1.112 416 D CA -0.089 53.904 54.000 -0.012 0.000 0.834 416 D CB -0.177 40.616 40.800 -0.012 0.000 0.953 416 D HN 0.444 nan 8.370 nan 0.000 0.505 417 c N -1.357 117.230 118.600 -0.022 0.000 3.336 417 c HA 0.746 5.316 4.570 0.000 0.000 0.352 417 c C -0.298 173.773 174.090 -0.031 0.000 1.567 417 c CA -1.294 55.019 56.329 -0.026 0.000 1.328 417 c CB 0.625 43.115 42.510 -0.034 0.000 1.922 417 c HN 0.070 nan 8.230 nan 0.000 0.439 418 I N 1.798 122.346 120.570 -0.037 0.000 2.353 418 I HA 0.399 4.569 4.170 0.000 0.000 0.293 418 I C 0.436 176.496 176.117 -0.096 0.000 0.992 418 I CA -0.202 61.075 61.300 -0.039 0.000 1.268 418 I CB 0.755 38.752 38.000 -0.005 0.000 1.387 418 I HN 0.539 nan 8.210 nan 0.000 0.478 419 R N 7.920 128.353 120.500 -0.113 0.000 2.202 419 R HA 0.351 4.691 4.340 0.000 0.000 0.334 419 R C -2.473 173.658 176.300 -0.282 0.000 1.036 419 R CA -1.522 54.463 56.100 -0.191 0.000 0.878 419 R CB 1.247 31.439 30.300 -0.180 0.000 1.067 419 R HN 0.300 nan 8.270 nan 0.000 0.457 420 P HA 0.211 nan 4.420 nan 0.000 0.285 420 P C -0.601 176.438 177.300 -0.435 0.000 1.259 420 P CA -0.367 62.353 63.100 -0.634 0.000 0.794 420 P CB 1.221 32.228 31.700 -1.155 0.000 0.940 421 c N 3.330 121.660 118.600 -0.449 0.000 3.213 421 c HA 0.854 5.424 4.570 0.000 0.000 0.319 421 c C -0.303 173.624 174.090 -0.272 0.000 1.386 421 c CA -0.356 55.679 56.329 -0.490 0.000 1.494 421 c CB 1.353 42.950 42.510 -1.521 0.000 1.905 421 c HN 0.740 nan 8.230 nan 0.000 0.456 422 F N -0.558 119.200 119.950 -0.321 0.000 2.713 422 F HA 0.871 5.398 4.527 0.000 0.000 0.311 422 F C -1.622 174.302 175.800 0.207 0.000 1.141 422 F CA -1.061 56.755 58.000 -0.307 0.000 0.939 422 F CB 0.954 39.303 39.000 -1.084 0.000 1.325 422 F HN 0.827 nan 8.300 nan 0.000 0.453 423 W N 1.009 122.475 121.300 0.276 0.000 3.033 423 W HA 0.850 5.510 4.660 0.000 0.000 0.336 423 W C -2.480 174.172 176.519 0.222 0.000 1.173 423 W CA -1.566 55.906 57.345 0.211 0.000 1.185 423 W CB 1.027 30.621 29.460 0.223 0.000 1.425 423 W HN 0.561 nan 8.180 nan 0.000 0.536 424 V N 1.423 121.639 119.914 0.503 0.000 2.709 424 V HA 0.216 4.336 4.120 0.000 0.000 0.308 424 V C -0.339 176.025 176.094 0.449 0.000 1.062 424 V CA -0.782 61.670 62.300 0.254 0.000 0.901 424 V CB 1.871 33.631 31.823 -0.105 0.000 1.003 424 V HN 0.621 nan 8.190 nan 0.000 0.425 425 E N 4.564 125.069 120.200 0.508 0.000 2.200 425 E HA 0.459 4.809 4.350 0.000 0.000 0.283 425 E C -1.339 175.434 176.600 0.289 0.000 1.015 425 E CA -0.531 56.120 56.400 0.419 0.000 0.819 425 E CB 1.017 31.029 29.700 0.520 0.000 1.081 425 E HN 0.614 nan 8.360 nan 0.000 0.397 426 L N 6.817 128.179 121.223 0.232 0.000 2.264 426 L HA 0.411 4.751 4.340 0.000 0.000 0.287 426 L C -0.127 176.859 176.870 0.192 0.000 1.039 426 L CA -0.559 54.420 54.840 0.232 0.000 0.829 426 L CB 0.666 42.857 42.059 0.221 0.000 1.211 426 L HN 0.527 nan 8.230 nan 0.000 0.427 427 I N 4.299 124.979 120.570 0.184 0.000 2.342 427 I HA 0.364 4.534 4.170 0.000 0.000 0.291 427 I C 0.068 176.186 176.117 0.001 0.000 1.010 427 I CA -0.420 60.929 61.300 0.082 0.000 1.308 427 I CB 0.801 38.819 38.000 0.031 0.000 1.400 427 I HN 0.506 nan 8.210 nan 0.000 0.488 428 R N 4.177 124.658 120.500 -0.033 0.000 2.750 428 R HA 0.808 5.148 4.340 0.000 0.000 0.281 428 R C 0.139 176.210 176.300 -0.382 0.000 0.972 428 R CA -0.526 55.482 56.100 -0.154 0.000 0.912 428 R CB 1.638 31.959 30.300 0.034 0.000 1.187 428 R HN 0.893 nan 8.270 nan 0.000 0.464 429 G N 1.806 110.233 108.800 -0.621 0.000 2.501 429 G HA2 -0.204 3.756 3.960 0.000 0.000 0.213 429 G HA3 -0.204 3.756 3.960 0.000 0.000 0.213 429 G C -0.856 173.681 174.900 -0.604 0.000 1.158 429 G CA -0.759 43.812 45.100 -0.881 0.000 1.079 429 G HN 0.471 nan 8.290 nan 0.000 0.586 430 R N 1.720 121.917 120.500 -0.505 0.000 2.582 430 R HA 0.438 4.778 4.340 0.000 0.000 0.271 430 R C -1.215 174.916 176.300 -0.281 0.000 1.078 430 R CA -0.767 55.128 56.100 -0.342 0.000 1.127 430 R CB 0.963 31.111 30.300 -0.253 0.000 1.038 430 R HN 0.416 nan 8.270 nan 0.000 0.500 431 P HA 0.037 nan 4.420 nan 0.000 0.257 431 P C 0.029 177.179 177.300 -0.251 0.000 1.241 431 P CA 0.550 63.527 63.100 -0.205 0.000 0.816 431 P CB 0.542 32.162 31.700 -0.133 0.000 1.150 432 K N 0.275 120.436 120.400 -0.398 0.000 2.296 432 K HA 0.120 4.440 4.320 0.000 0.000 0.200 432 K C 0.971 177.377 176.600 -0.324 0.000 1.048 432 K CA 0.640 56.656 56.287 -0.452 0.000 0.966 432 K CB 0.436 32.303 32.500 -1.054 0.000 0.754 432 K HN 0.417 nan 8.250 nan 0.000 0.466 436 T N -0.888 113.485 114.554 -0.302 0.000 2.742 436 T HA 0.757 5.108 4.350 0.000 0.000 0.282 436 T C 1.023 175.534 174.700 -0.315 0.000 1.025 436 T CA -0.522 61.350 62.100 -0.380 0.000 1.020 436 T CB 0.917 69.199 68.868 -0.976 0.000 1.317 436 T HN 0.912 nan 8.240 nan 0.000 0.538 437 I N -2.516 117.929 120.570 -0.208 0.000 3.968 437 I HA 0.454 4.624 4.170 0.000 0.000 0.328 437 I C 0.270 176.392 176.117 0.009 0.000 1.290 437 I CA -0.836 60.444 61.300 -0.034 0.000 1.163 437 I CB 0.120 38.188 38.000 0.112 0.000 1.024 437 I HN 0.613 nan 8.210 nan 0.000 0.413 438 W N 1.058 122.319 121.300 -0.065 0.000 2.958 438 W HA 0.750 5.410 4.660 0.000 0.000 0.339 438 W C -1.201 175.259 176.519 -0.097 0.000 1.174 438 W CA -1.083 56.223 57.345 -0.066 0.000 1.064 438 W CB 0.359 29.783 29.460 -0.061 0.000 1.471 438 W HN -0.311 nan 8.180 nan 0.000 0.599 439 T N 1.324 115.996 114.554 0.196 0.000 2.971 439 T HA 0.461 4.811 4.350 0.000 0.000 0.304 439 T C -1.203 173.657 174.700 0.266 0.000 1.038 439 T CA -0.277 61.862 62.100 0.064 0.000 1.007 439 T CB 2.095 70.941 68.868 -0.037 0.000 1.055 439 T HN 0.545 nan 8.240 nan 0.000 0.451 440 S N 0.760 116.626 115.700 0.276 0.000 2.625 440 S HA 0.906 5.376 4.470 0.000 0.000 0.271 440 S C -0.953 173.721 174.600 0.122 0.000 1.161 440 S CA -0.394 57.915 58.200 0.182 0.000 0.820 440 S CB 1.720 65.024 63.200 0.172 0.000 1.137 440 S HN 1.116 nan 8.310 nan 0.000 0.470 441 G N 0.611 109.450 108.800 0.065 0.000 2.672 441 G HA2 0.641 4.601 3.960 0.000 0.000 0.292 441 G HA3 0.641 4.601 3.960 0.000 0.000 0.292 441 G C -1.136 173.792 174.900 0.048 0.000 1.375 441 G CA -0.387 44.758 45.100 0.074 0.000 0.890 441 G HN 0.687 nan 8.290 nan 0.000 0.476 442 S N -1.062 114.686 115.700 0.080 0.000 2.767 442 S HA 0.855 5.325 4.470 0.000 0.000 0.300 442 S C 0.129 174.776 174.600 0.078 0.000 1.123 442 S CA -0.360 57.874 58.200 0.057 0.000 0.992 442 S CB 1.503 64.757 63.200 0.091 0.000 1.138 442 S HN 1.328 nan 8.310 nan 0.000 0.550 443 S N 0.321 116.055 115.700 0.057 0.000 2.549 443 S HA 0.816 5.286 4.470 0.000 0.000 0.280 443 S C -0.855 173.795 174.600 0.084 0.000 1.109 443 S CA -0.906 57.349 58.200 0.092 0.000 0.905 443 S CB 0.890 64.101 63.200 0.018 0.000 1.081 443 S HN 0.767 nan 8.310 nan 0.000 0.477 444 I N -0.750 119.904 120.570 0.140 0.000 2.865 444 I HA 0.907 5.077 4.170 0.000 0.000 0.302 444 I C -0.801 175.365 176.117 0.082 0.000 1.140 444 I CA -0.890 60.438 61.300 0.047 0.000 1.021 444 I CB 2.312 40.405 38.000 0.155 0.000 1.233 444 I HN 0.879 nan 8.210 nan 0.000 0.427 445 S N 2.830 118.427 115.700 -0.172 0.000 2.556 445 S HA 0.843 5.313 4.470 0.000 0.000 0.271 445 S C -1.349 172.975 174.600 -0.461 0.000 1.135 445 S CA -0.562 57.618 58.200 -0.033 0.000 0.858 445 S CB 1.820 65.183 63.200 0.271 0.000 1.114 445 S HN 0.584 nan 8.310 nan 0.000 0.468 446 F N -0.367 119.295 119.950 -0.481 0.000 2.613 446 F HA 0.783 5.310 4.527 0.000 0.000 0.314 446 F C -0.055 175.594 175.800 -0.253 0.000 1.075 446 F CA -0.923 56.849 58.000 -0.379 0.000 0.945 446 F CB 1.716 40.387 39.000 -0.549 0.000 1.310 446 F HN 0.830 nan 8.300 nan 0.000 0.467 447 c N 0.558 119.224 118.600 0.110 0.000 2.779 447 c HA 0.669 5.239 4.570 0.000 0.000 0.314 447 c C 1.531 175.634 174.090 0.022 0.000 1.231 447 c CA -0.182 56.140 56.329 -0.012 0.000 1.652 447 c CB 1.260 43.610 42.510 -0.266 0.000 2.198 447 c HN 1.101 nan 8.230 nan 0.000 0.483 448 G N 1.051 109.716 108.800 -0.224 0.000 3.569 448 G HA2 -0.043 3.917 3.960 0.000 0.000 0.224 448 G HA3 -0.043 3.917 3.960 0.000 0.000 0.224 448 G C 0.274 174.825 174.900 -0.583 0.000 1.013 448 G CA 1.743 46.452 45.100 -0.651 0.000 0.737 448 G HN 1.611 nan 8.290 nan 0.000 1.230 449 V N -0.859 118.826 119.914 -0.382 0.000 3.322 449 V HA -0.174 3.946 4.120 0.000 0.000 0.477 449 V C 0.790 176.714 176.094 -0.284 0.000 0.682 449 V CA 0.642 62.776 62.300 -0.278 0.000 2.020 449 V CB -1.050 30.657 31.823 -0.192 0.000 2.473 449 V HN 0.819 nan 8.190 nan 0.000 0.500 450 N N 1.420 120.002 118.700 -0.197 0.000 2.290 450 N HA 0.007 4.747 4.740 0.000 0.000 0.179 450 N C 1.092 176.527 175.510 -0.125 0.000 1.016 450 N CA 1.117 54.067 53.050 -0.166 0.000 0.871 450 N CB -0.013 38.401 38.487 -0.122 0.000 0.987 450 N HN 1.049 nan 8.380 nan 0.000 0.431 451 S N -0.110 115.533 115.700 -0.095 0.000 2.598 451 S HA 0.075 4.545 4.470 0.000 0.000 0.256 451 S C -0.009 174.561 174.600 -0.049 0.000 1.350 451 S CA -0.623 57.542 58.200 -0.058 0.000 0.984 451 S CB 0.648 63.825 63.200 -0.038 0.000 0.930 451 S HN 0.172 nan 8.310 nan 0.000 0.577 452 D N -0.662 119.728 120.400 -0.017 0.000 2.229 452 D HA 0.604 5.244 4.640 0.000 0.000 0.249 452 D C 0.135 176.458 176.300 0.038 0.000 1.027 452 D CA -0.199 53.804 54.000 0.005 0.000 0.923 452 D CB 1.438 42.251 40.800 0.022 0.000 1.174 452 D HN 0.630 nan 8.370 nan 0.000 0.443 453 T N 0.142 114.742 114.554 0.076 0.000 2.708 453 T HA 0.680 5.030 4.350 0.000 0.000 0.256 453 T C -0.711 174.094 174.700 0.174 0.000 0.946 453 T CA -0.676 61.506 62.100 0.138 0.000 1.039 453 T CB 0.879 69.862 68.868 0.192 0.000 1.557 453 T HN 0.207 nan 8.240 nan 0.000 0.576 454 V N -0.040 120.030 119.914 0.260 0.000 2.851 454 V HA 0.697 4.817 4.120 0.000 0.000 0.307 454 V C 0.319 176.649 176.094 0.394 0.000 1.129 454 V CA -1.229 61.223 62.300 0.253 0.000 0.932 454 V CB 1.595 33.524 31.823 0.177 0.000 1.024 454 V HN 1.098 nan 8.190 nan 0.000 0.426 455 G N 1.142 110.147 108.800 0.342 0.000 2.476 455 G HA2 0.524 4.484 3.960 0.000 0.000 0.269 455 G HA3 0.524 4.484 3.960 0.000 0.000 0.269 455 G C -1.309 173.842 174.900 0.419 0.000 1.195 455 G CA 0.132 45.476 45.100 0.406 0.000 0.843 455 G HN 0.749 nan 8.290 nan 0.000 0.545 456 W N -0.332 121.026 121.300 0.095 0.000 2.822 456 W HA 0.606 5.266 4.660 0.000 0.000 0.438 456 W C -0.952 175.437 176.519 -0.217 0.000 1.022 456 W CA -0.804 56.386 57.345 -0.258 0.000 1.242 456 W CB 1.089 30.090 29.460 -0.765 0.000 1.445 456 W HN 0.719 nan 8.180 nan 0.000 0.621 457 S N 1.593 116.770 115.700 -0.871 0.000 2.647 457 S HA 0.536 5.006 4.470 0.000 0.000 0.300 457 S C -1.580 172.599 174.600 -0.703 0.000 1.129 457 S CA -0.415 57.456 58.200 -0.547 0.000 1.029 457 S CB 0.369 63.303 63.200 -0.442 0.000 1.007 457 S HN 0.344 nan 8.310 nan 0.000 0.484 458 W N 6.774 128.065 121.300 -0.014 0.000 2.165 458 W HA 0.297 4.957 4.660 0.000 0.000 0.288 458 W C -2.559 173.999 176.519 0.064 0.000 0.900 458 W CA -1.817 55.547 57.345 0.031 0.000 1.914 458 W CB 0.865 30.458 29.460 0.222 0.000 2.091 458 W HN 0.550 nan 8.180 nan 0.000 0.399 459 P HA -0.003 nan 4.420 nan 0.000 0.275 459 P C 0.706 178.096 177.300 0.151 0.000 1.266 459 P CA 0.224 63.401 63.100 0.129 0.000 0.793 459 P CB 1.702 33.422 31.700 0.034 0.000 1.074 460 D N 0.254 120.752 120.400 0.164 0.000 2.092 460 D HA -0.120 4.520 4.640 0.000 0.000 0.193 460 D C 1.411 177.795 176.300 0.140 0.000 0.994 460 D CA 2.667 56.765 54.000 0.163 0.000 0.828 460 D CB -0.778 40.136 40.800 0.190 0.000 0.963 460 D HN 0.696 nan 8.370 nan 0.000 0.450 461 G N -0.860 108.017 108.800 0.129 0.000 2.159 461 G HA2 -0.154 3.806 3.960 0.000 0.000 0.256 461 G HA3 -0.154 3.806 3.960 0.000 0.000 0.256 461 G C 0.316 175.299 174.900 0.138 0.000 0.977 461 G CA 0.514 45.679 45.100 0.108 0.000 0.652 461 G HN 0.765 nan 8.290 nan 0.000 0.531 462 A N -0.090 122.841 122.820 0.186 0.000 2.340 462 A HA 0.667 4.987 4.320 0.000 0.000 0.268 462 A C 0.327 178.069 177.584 0.264 0.000 1.100 462 A CA -0.160 52.033 52.037 0.260 0.000 0.803 462 A CB 0.449 19.655 19.000 0.345 0.000 1.043 462 A HN 0.430 nan 8.150 nan 0.000 0.488 463 E N 1.799 122.184 120.200 0.308 0.000 2.046 463 E HA 0.396 4.746 4.350 0.000 0.000 0.279 463 E C -0.882 175.937 176.600 0.365 0.000 0.989 463 E CA -0.048 56.509 56.400 0.262 0.000 0.798 463 E CB 0.772 30.583 29.700 0.184 0.000 1.086 463 E HN 0.529 nan 8.360 nan 0.000 0.399 464 L N 4.058 125.439 121.223 0.263 0.000 2.387 464 L HA 0.527 4.867 4.340 0.000 0.000 0.266 464 L C -1.466 175.513 176.870 0.182 0.000 1.059 464 L CA -1.938 53.047 54.840 0.242 0.000 0.801 464 L CB 0.279 42.377 42.059 0.065 0.000 1.223 464 L HN 0.416 nan 8.230 nan 0.000 0.456 465 P HA 0.332 nan 4.420 nan 0.000 0.278 465 P C -1.004 176.579 177.300 0.472 0.000 1.266 465 P CA -0.417 62.821 63.100 0.230 0.000 0.807 465 P CB 0.880 32.660 31.700 0.133 0.000 1.094 466 F N -0.518 119.589 119.950 0.262 0.000 2.364 466 F HA 0.159 4.686 4.527 0.000 0.000 0.316 466 F C 2.129 178.003 175.800 0.123 0.000 1.133 466 F CA -0.941 57.175 58.000 0.193 0.000 1.051 466 F CB -0.749 38.373 39.000 0.204 0.000 1.342 466 F HN 0.228 nan 8.300 nan 0.000 0.507 467 T N 1.487 116.161 114.554 0.201 0.000 3.026 467 T HA -0.007 4.343 4.350 0.000 0.000 0.271 467 T C 0.744 175.530 174.700 0.144 0.000 1.149 467 T CA 0.825 62.989 62.100 0.108 0.000 1.088 467 T CB -0.888 67.990 68.868 0.016 0.000 0.857 467 T HN 0.365 nan 8.240 nan 0.000 0.551 468 I N 0.000 120.718 120.570 0.247 0.000 2.984 468 I HA 0.000 4.170 4.170 0.000 0.000 0.288 468 I CA 0.000 61.446 61.300 0.243 0.000 1.566 468 I CB 0.000 38.099 38.000 0.165 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494