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 3beq_1_B DATA FIRST_RESID 83 DATA SEQUENCE VILTGNSSLc PISGWAIYSK DNGIRIGSKG DVFVIREPFI ScSHLEcRTF DATA SEQUENCE FLTQGALLND KHSNGTVKDR SPYRTLMSCP VGEAPSYNSR FESVAWSASA DATA SEQUENCE cHDGMGWLTI GISGPDNGAV AVLKYNGIIT DTIKSWRNNI LRTQESEcAc DATA SEQUENCE VNGScFTIMT DGPSNGQASY KILKIEKGKV TKSIELNAPN YHYEEcScYP DATA SEQUENCE DTGKVMcVcR DNWHGSNRPW VSFDXQNLDY QIGYIcSGVF GDNPRPNDGT DATA SEQUENCE GXScXXGPVS SNGANGIKGF SFRYDNGVWI GRTKSTSSRS GFEMIWDPNG DATA SEQUENCE WTETDSSFSV XRQDIVAITD WSGYSGSFVL TGLDcMRPcF WVELIRGQPK DATA SEQUENCE EXNTIWTSGS SISFcGVNSD TVGWSWPDGA ELPFSI 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 0.000 176.012 176.094 -0.137 0.000 1.182 83 V CA 0.000 62.224 62.300 -0.126 0.000 1.235 83 V CB 0.000 31.723 31.823 -0.166 0.000 1.184 84 I N 3.050 123.579 120.570 -0.067 0.000 2.396 84 I HA 0.675 4.849 4.170 0.006 0.000 0.292 84 I C 0.167 176.270 176.117 -0.022 0.000 0.999 84 I CA -0.796 60.477 61.300 -0.045 0.000 1.310 84 I CB 1.375 39.363 38.000 -0.021 0.000 1.404 84 I HN 0.644 nan 8.210 nan 0.000 0.496 85 L N 5.513 126.735 121.223 -0.002 0.000 2.462 85 L HA 0.094 4.438 4.340 0.006 0.000 0.272 85 L C 1.786 178.678 176.870 0.037 0.000 1.166 85 L CA -0.055 54.801 54.840 0.027 0.000 0.880 85 L CB 0.942 43.034 42.059 0.056 0.000 1.142 85 L HN 0.926 nan 8.230 nan 0.000 0.473 86 T N -1.164 113.410 114.554 0.034 0.000 2.812 86 T HA -0.062 4.291 4.350 0.006 0.000 0.264 86 T C 1.462 176.191 174.700 0.048 0.000 1.042 86 T CA 0.604 62.725 62.100 0.035 0.000 1.140 86 T CB -0.281 68.602 68.868 0.025 0.000 0.870 86 T HN 0.963 nan 8.240 nan 0.000 0.445 87 G N 2.722 111.553 108.800 0.051 0.000 2.179 87 G HA2 -0.338 3.625 3.960 0.006 0.000 0.257 87 G HA3 -0.338 3.625 3.960 0.006 0.000 0.257 87 G C 0.617 175.537 174.900 0.032 0.000 1.010 87 G CA 0.666 45.799 45.100 0.056 0.000 0.736 87 G HN 0.841 nan 8.290 nan 0.000 0.513 88 N N 0.278 118.992 118.700 0.023 0.000 2.373 88 N HA 0.105 4.849 4.740 0.006 0.000 0.181 88 N C 1.190 176.702 175.510 0.003 0.000 1.082 88 N CA 0.931 53.987 53.050 0.010 0.000 0.885 88 N CB -0.364 38.129 38.487 0.010 0.000 0.977 88 N HN 0.837 nan 8.380 nan 0.000 0.462 89 S N -0.410 115.294 115.700 0.007 0.000 2.600 89 S HA 0.442 4.916 4.470 0.006 0.000 0.265 89 S C 0.216 174.812 174.600 -0.006 0.000 1.325 89 S CA -0.726 57.474 58.200 -0.000 0.000 1.002 89 S CB 0.931 64.132 63.200 0.001 0.000 0.921 89 S HN 0.153 nan 8.310 nan 0.000 0.554 90 S N 0.690 116.380 115.700 -0.015 0.000 2.687 90 S HA 0.451 4.925 4.470 0.006 0.000 0.283 90 S C 0.151 174.726 174.600 -0.042 0.000 1.170 90 S CA -0.885 57.297 58.200 -0.029 0.000 1.008 90 S CB 0.318 63.503 63.200 -0.026 0.000 1.026 90 S HN 0.628 nan 8.310 nan 0.000 0.541 91 L N 1.393 122.562 121.223 -0.090 0.000 2.485 91 L HA 0.092 4.435 4.340 0.006 0.000 0.275 91 L C 0.131 176.999 176.870 -0.003 0.000 1.207 91 L CA -0.498 54.264 54.840 -0.130 0.000 0.855 91 L CB -0.134 41.678 42.059 -0.412 0.000 1.114 91 L HN 0.679 nan 8.230 nan 0.000 0.485 92 c N 3.981 122.564 118.600 -0.029 0.000 2.657 92 c HA 0.122 4.695 4.570 0.006 0.000 0.420 92 c C -1.692 172.410 174.090 0.021 0.000 1.323 92 c CA -0.979 55.332 56.329 -0.029 0.000 1.894 92 c CB -0.612 41.833 42.510 -0.108 0.000 2.681 92 c HN 0.512 nan 8.230 nan 0.000 0.613 93 P HA 0.333 nan 4.420 nan 0.000 0.267 93 P C -0.405 176.741 177.300 -0.256 0.000 1.205 93 P CA 0.477 63.492 63.100 -0.142 0.000 0.765 93 P CB 0.164 31.795 31.700 -0.115 0.000 0.828 94 I N -1.023 119.300 120.570 -0.412 0.000 2.969 94 I HA 0.576 4.749 4.170 0.006 0.000 0.307 94 I C 0.383 176.241 176.117 -0.430 0.000 1.149 94 I CA -0.840 60.174 61.300 -0.478 0.000 1.008 94 I CB 2.548 40.101 38.000 -0.745 0.000 1.232 94 I HN 0.181 nan 8.210 nan 0.000 0.435 95 S N 1.276 116.757 115.700 -0.366 0.000 2.549 95 S HA 0.704 5.178 4.470 0.006 0.000 0.225 95 S C 0.587 175.087 174.600 -0.165 0.000 1.039 95 S CA 0.201 58.277 58.200 -0.207 0.000 0.942 95 S CB 0.642 63.761 63.200 -0.134 0.000 0.881 95 S HN 1.343 nan 8.310 nan 0.000 0.503 96 G N -0.142 108.366 108.800 -0.487 0.000 2.427 96 G HA2 0.467 4.431 3.960 0.006 0.000 0.306 96 G HA3 0.467 4.431 3.960 0.006 0.000 0.306 96 G C -2.428 171.960 174.900 -0.854 0.000 1.280 96 G CA -1.035 43.757 45.100 -0.513 0.000 0.837 96 G HN 0.239 nan 8.290 nan 0.000 0.482 97 W N 0.450 121.713 121.300 -0.062 0.000 2.538 97 W HA 0.712 5.376 4.660 0.006 0.000 0.322 97 W C 0.195 176.821 176.519 0.179 0.000 1.028 97 W CA -0.556 56.808 57.345 0.031 0.000 1.228 97 W CB 2.261 31.776 29.460 0.092 0.000 1.356 97 W HN 0.764 nan 8.180 nan 0.000 0.452 98 A N 4.388 127.387 122.820 0.297 0.000 2.301 98 A HA 0.642 4.965 4.320 0.006 0.000 0.312 98 A C -0.665 177.027 177.584 0.181 0.000 1.182 98 A CA -0.836 51.336 52.037 0.226 0.000 0.826 98 A CB 0.662 19.715 19.000 0.089 0.000 1.134 98 A HN 0.822 nan 8.150 nan 0.000 0.501 99 I N 2.305 122.843 120.570 -0.053 0.000 2.556 99 I HA 0.129 4.303 4.170 0.006 0.000 0.284 99 I C 0.366 176.285 176.117 -0.330 0.000 1.114 99 I CA 0.230 61.136 61.300 -0.657 0.000 1.418 99 I CB 0.585 37.944 38.000 -1.068 0.000 1.394 99 I HN 0.865 nan 8.210 nan 0.000 0.552 100 Y N 6.605 126.593 120.300 -0.520 0.000 2.464 100 Y HA 0.220 4.774 4.550 0.006 0.000 0.288 100 Y C 0.778 176.536 175.900 -0.236 0.000 1.133 100 Y CA 0.619 58.569 58.100 -0.250 0.000 1.223 100 Y CB 0.302 38.701 38.460 -0.102 0.000 1.187 100 Y HN 0.663 nan 8.280 nan 0.000 0.539 101 S N -0.109 115.409 115.700 -0.304 0.000 2.596 101 S HA 0.556 5.029 4.470 0.006 0.000 0.270 101 S C -1.451 172.995 174.600 -0.257 0.000 1.155 101 S CA -0.996 57.023 58.200 -0.302 0.000 0.827 101 S CB 2.728 65.772 63.200 -0.260 0.000 1.130 101 S HN 0.177 nan 8.310 nan 0.000 0.467 102 K N 0.572 120.867 120.400 -0.175 0.000 2.571 102 K HA 0.350 4.674 4.320 0.006 0.000 0.252 102 K C -1.093 175.469 176.600 -0.063 0.000 0.956 102 K CA -0.390 55.841 56.287 -0.094 0.000 0.822 102 K CB 1.337 33.806 32.500 -0.052 0.000 1.286 102 K HN 0.752 nan 8.250 nan 0.000 0.439 103 D N 2.490 122.862 120.400 -0.046 0.000 2.389 103 D HA -0.017 4.627 4.640 0.006 0.000 0.206 103 D C -0.202 176.078 176.300 -0.033 0.000 1.055 103 D CA 0.061 54.026 54.000 -0.059 0.000 0.856 103 D CB 0.078 40.825 40.800 -0.090 0.000 0.957 103 D HN 0.616 nan 8.370 nan 0.000 0.509 104 N N 0.412 119.114 118.700 0.003 0.000 2.710 104 N HA -0.149 4.594 4.740 0.006 0.000 0.249 104 N C 1.237 176.752 175.510 0.008 0.000 1.059 104 N CA 0.832 53.898 53.050 0.026 0.000 0.720 104 N CB -1.402 37.102 38.487 0.028 0.000 0.983 104 N HN 0.541 nan 8.380 nan 0.000 0.544 105 G N 0.270 109.060 108.800 -0.017 0.000 2.440 105 G HA2 -0.178 3.786 3.960 0.006 0.000 0.218 105 G HA3 -0.178 3.786 3.960 0.006 0.000 0.218 105 G C 1.619 176.506 174.900 -0.022 0.000 1.154 105 G CA 1.014 46.081 45.100 -0.056 0.000 0.767 105 G HN 0.501 nan 8.290 nan 0.000 0.552 106 I N -0.124 120.469 120.570 0.040 0.000 2.333 106 I HA -0.055 4.119 4.170 0.006 0.000 0.246 106 I C 3.008 179.270 176.117 0.242 0.000 1.106 106 I CA 0.592 61.968 61.300 0.127 0.000 1.411 106 I CB -0.198 37.895 38.000 0.155 0.000 1.082 106 I HN 0.051 nan 8.210 nan 0.000 0.420 107 R N 0.918 121.523 120.500 0.176 0.000 2.096 107 R HA -0.177 4.167 4.340 0.006 0.000 0.240 107 R C 2.308 178.625 176.300 0.028 0.000 1.139 107 R CA 1.662 57.841 56.100 0.132 0.000 0.952 107 R CB -0.512 29.844 30.300 0.093 0.000 0.854 107 R HN 0.320 nan 8.270 nan 0.000 0.436 108 I N -0.133 120.437 120.570 0.000 0.000 2.286 108 I HA -0.156 4.018 4.170 0.006 0.000 0.248 108 I C 2.354 178.416 176.117 -0.093 0.000 1.115 108 I CA 1.379 62.649 61.300 -0.049 0.000 1.392 108 I CB -0.440 37.529 38.000 -0.052 0.000 1.065 108 I HN 0.333 nan 8.210 nan 0.000 0.418 109 G N -0.708 108.046 108.800 -0.077 0.000 2.679 109 G HA2 -0.194 3.769 3.960 0.006 0.000 0.212 109 G HA3 -0.194 3.769 3.960 0.006 0.000 0.212 109 G C 1.660 176.423 174.900 -0.228 0.000 1.137 109 G CA 0.743 45.773 45.100 -0.115 0.000 0.787 109 G HN 0.355 nan 8.290 nan 0.000 0.534 110 S N -0.213 115.246 115.700 -0.401 0.000 2.419 110 S HA -0.086 4.388 4.470 0.006 0.000 0.233 110 S C 2.113 176.415 174.600 -0.497 0.000 1.016 110 S CA 2.113 59.752 58.200 -0.936 0.000 0.974 110 S CB -0.017 62.712 63.200 -0.785 0.000 0.786 110 S HN 0.462 nan 8.310 nan 0.000 0.492 111 K N -0.200 120.031 120.400 -0.282 0.000 2.412 111 K HA 0.353 4.677 4.320 0.006 0.000 0.201 111 K C 0.973 177.493 176.600 -0.133 0.000 1.275 111 K CA 0.751 56.929 56.287 -0.182 0.000 0.910 111 K CB -0.497 31.922 32.500 -0.135 0.000 1.346 111 K HN 0.232 nan 8.250 nan 0.000 0.490 112 G N 0.259 108.985 108.800 -0.123 0.000 2.588 112 G HA2 0.151 4.114 3.960 0.006 0.000 0.278 112 G HA3 0.151 4.114 3.960 0.006 0.000 0.278 112 G C -0.972 173.850 174.900 -0.131 0.000 1.307 112 G CA -0.428 44.615 45.100 -0.095 0.000 1.016 112 G HN 0.256 nan 8.290 nan 0.000 0.503 113 D N 0.238 120.554 120.400 -0.141 0.000 2.456 113 D HA 0.399 5.043 4.640 0.006 0.000 0.219 113 D C -0.403 175.651 176.300 -0.410 0.000 1.126 113 D CA 0.129 53.971 54.000 -0.262 0.000 0.890 113 D CB 1.326 41.971 40.800 -0.257 0.000 1.025 113 D HN 0.011 nan 8.370 nan 0.000 0.511 114 V N 2.997 122.697 119.914 -0.355 0.000 2.588 114 V HA 0.329 4.453 4.120 0.006 0.000 0.304 114 V C 0.031 175.931 176.094 -0.324 0.000 1.042 114 V CA -0.971 61.118 62.300 -0.352 0.000 0.877 114 V CB 1.447 33.135 31.823 -0.225 0.000 0.996 114 V HN 0.238 nan 8.190 nan 0.000 0.425 115 F N 2.653 122.466 119.950 -0.228 0.000 2.563 115 F HA 0.168 4.698 4.527 0.005 0.000 0.363 115 F C 0.750 176.427 175.800 -0.205 0.000 1.123 115 F CA 0.124 58.017 58.000 -0.179 0.000 1.307 115 F CB 0.519 39.447 39.000 -0.121 0.000 1.115 115 F HN 0.169 nan 8.300 nan 0.000 0.592 116 V N 5.615 125.569 119.914 0.066 0.000 2.479 116 V HA 0.169 4.292 4.120 0.006 0.000 0.281 116 V C 0.263 176.386 176.094 0.049 0.000 1.031 116 V CA 0.034 62.325 62.300 -0.014 0.000 1.038 116 V CB -0.116 31.709 31.823 0.003 0.000 0.981 116 V HN 0.588 nan 8.190 nan 0.000 0.478 117 I N 3.787 124.357 120.570 -0.000 0.000 3.145 117 I HA 0.885 5.059 4.170 0.006 0.000 0.313 117 I C -0.515 175.628 176.117 0.044 0.000 1.122 117 I CA -1.056 60.256 61.300 0.021 0.000 0.987 117 I CB 2.418 40.334 38.000 -0.140 0.000 1.236 117 I HN 0.295 nan 8.210 nan 0.000 0.453 118 R N 1.546 122.095 120.500 0.082 0.000 2.836 118 R HA 0.339 4.683 4.340 0.006 0.000 0.269 118 R C -1.085 175.283 176.300 0.114 0.000 1.010 118 R CA -0.418 55.720 56.100 0.065 0.000 0.930 118 R CB 1.475 31.797 30.300 0.038 0.000 1.218 118 R HN 0.964 nan 8.270 nan 0.000 0.473 119 E N -0.007 120.268 120.200 0.126 0.000 2.273 119 E HA -0.126 4.227 4.350 0.006 0.000 0.177 119 E C -2.064 174.551 176.600 0.025 0.000 1.511 119 E CA 0.058 56.587 56.400 0.215 0.000 0.675 119 E CB -1.229 28.704 29.700 0.388 0.000 1.094 119 E HN 0.231 nan 8.360 nan 0.000 0.348 120 P HA 0.075 nan 4.420 nan 0.000 0.237 120 P C -0.316 176.518 177.300 -0.778 0.000 1.788 120 P CA -0.195 62.724 63.100 -0.302 0.000 1.061 120 P CB -0.952 30.632 31.700 -0.195 0.000 1.967 121 F N 1.182 120.623 119.950 -0.848 0.000 2.389 121 F HA 0.538 5.069 4.527 0.006 0.000 0.337 121 F C -0.047 175.436 175.800 -0.528 0.000 1.112 121 F CA -1.401 55.868 58.000 -1.218 0.000 1.192 121 F CB 0.388 39.096 39.000 -0.485 0.000 1.185 121 F HN -0.075 nan 8.300 nan 0.000 0.552 122 I N 2.582 122.944 120.570 -0.346 0.000 2.437 122 I HA 0.457 4.631 4.170 0.006 0.000 0.298 122 I C -0.004 176.154 176.117 0.069 0.000 0.984 122 I CA -0.511 60.614 61.300 -0.292 0.000 1.214 122 I CB 1.762 39.237 38.000 -0.875 0.000 1.365 122 I HN 0.803 nan 8.210 nan 0.000 0.469 123 S N 3.961 119.803 115.700 0.236 0.000 2.556 123 S HA 0.659 5.132 4.470 0.006 0.000 0.271 123 S C -1.352 173.591 174.600 0.571 0.000 1.135 123 S CA -0.453 58.038 58.200 0.485 0.000 0.858 123 S CB 1.331 64.907 63.200 0.626 0.000 1.114 123 S HN 0.682 nan 8.310 nan 0.000 0.468 124 c N 2.482 121.367 118.600 0.474 0.000 2.707 124 c HA 0.895 5.468 4.570 0.006 0.000 0.313 124 c C 0.892 175.014 174.090 0.053 0.000 1.209 124 c CA -0.641 55.880 56.329 0.319 0.000 1.635 124 c CB 1.239 43.901 42.510 0.254 0.000 2.206 124 c HN 1.004 nan 8.230 nan 0.000 0.485 125 S N 0.800 116.409 115.700 -0.150 0.000 2.623 125 S HA 0.304 4.778 4.470 0.006 0.000 0.287 125 S C 0.985 175.481 174.600 -0.174 0.000 1.123 125 S CA -0.051 57.818 58.200 -0.552 0.000 1.016 125 S CB -0.043 62.439 63.200 -1.197 0.000 1.233 125 S HN 0.922 nan 8.310 nan 0.000 0.512 126 H N 0.031 118.903 119.070 -0.330 0.000 2.556 126 H HA 0.337 4.897 4.556 0.006 0.000 0.268 126 H C 1.127 176.401 175.328 -0.090 0.000 0.996 126 H CA 0.503 56.474 56.048 -0.128 0.000 1.157 126 H CB -0.527 29.192 29.762 -0.072 0.000 1.355 126 H HN 0.468 nan 8.280 nan 0.000 0.597 127 L N -0.187 120.773 121.223 -0.439 0.000 2.694 127 L HA 0.247 4.591 4.340 0.006 0.000 0.228 127 L C 0.322 177.113 176.870 -0.132 0.000 1.048 127 L CA 0.243 54.877 54.840 -0.344 0.000 0.887 127 L CB 0.558 42.348 42.059 -0.448 0.000 1.265 127 L HN 0.247 nan 8.230 nan 0.000 0.492 128 E N -1.479 118.678 120.200 -0.072 0.000 2.437 128 E HA 0.459 4.813 4.350 0.006 0.000 0.280 128 E C -1.656 175.018 176.600 0.124 0.000 1.044 128 E CA -0.935 55.486 56.400 0.035 0.000 0.826 128 E CB 1.931 31.653 29.700 0.036 0.000 1.358 128 E HN -0.142 nan 8.360 nan 0.000 0.459 129 c N 0.389 119.075 118.600 0.144 0.000 2.561 129 c HA 0.732 5.306 4.570 0.006 0.000 0.319 129 c C -0.466 173.674 174.090 0.084 0.000 1.198 129 c CA -0.552 55.885 56.329 0.180 0.000 1.665 129 c CB 0.905 43.540 42.510 0.209 0.000 2.258 129 c HN 0.601 nan 8.230 nan 0.000 0.493 130 R N 0.570 121.101 120.500 0.052 0.000 2.795 130 R HA 0.611 4.954 4.340 0.006 0.000 0.275 130 R C -1.097 175.042 176.300 -0.269 0.000 0.981 130 R CA -0.473 55.512 56.100 -0.192 0.000 0.917 130 R CB 2.025 32.052 30.300 -0.455 0.000 1.202 130 R HN 0.645 nan 8.270 nan 0.000 0.469 131 T N 2.772 117.109 114.554 -0.362 0.000 2.733 131 T HA 0.375 4.729 4.350 0.006 0.000 0.294 131 T C -0.576 173.791 174.700 -0.556 0.000 0.956 131 T CA -0.148 61.739 62.100 -0.355 0.000 0.987 131 T CB 0.055 68.790 68.868 -0.222 0.000 0.920 131 T HN 0.159 nan 8.240 nan 0.000 0.470 132 F N 4.017 123.517 119.950 -0.749 0.000 2.377 132 F HA 0.718 5.249 4.527 0.006 0.000 0.328 132 F C 0.150 175.521 175.800 -0.715 0.000 1.094 132 F CA -0.891 56.514 58.000 -0.991 0.000 1.093 132 F CB 0.873 38.871 39.000 -1.670 0.000 1.214 132 F HN 0.569 nan 8.300 nan 0.000 0.518 133 F N -0.667 119.050 119.950 -0.389 0.000 2.741 133 F HA 0.683 5.213 4.527 0.005 0.000 0.311 133 F C -2.281 173.434 175.800 -0.141 0.000 1.149 133 F CA -1.655 56.204 58.000 -0.235 0.000 0.930 133 F CB 0.967 39.830 39.000 -0.228 0.000 1.312 133 F HN 0.157 nan 8.300 nan 0.000 0.450 134 L N 1.833 123.147 121.223 0.152 0.000 2.307 134 L HA 0.703 5.046 4.340 0.006 0.000 0.284 134 L C -0.160 176.797 176.870 0.146 0.000 1.023 134 L CA -0.621 54.266 54.840 0.080 0.000 0.810 134 L CB 1.899 44.035 42.059 0.129 0.000 1.231 134 L HN 0.938 nan 8.230 nan 0.000 0.423 135 T N 0.394 114.971 114.554 0.039 0.000 2.908 135 T HA 0.255 4.608 4.350 0.006 0.000 0.290 135 T C 0.337 175.069 174.700 0.053 0.000 1.034 135 T CA -0.576 61.538 62.100 0.024 0.000 1.010 135 T CB 1.688 70.436 68.868 -0.199 0.000 1.068 135 T HN 0.721 nan 8.240 nan 0.000 0.481 136 Q N 1.818 121.682 119.800 0.106 0.000 2.322 136 Q HA 0.318 4.662 4.340 0.006 0.000 0.203 136 Q C 1.140 177.232 176.000 0.154 0.000 0.923 136 Q CA 0.096 55.996 55.803 0.162 0.000 0.949 136 Q CB -0.283 28.558 28.738 0.170 0.000 1.039 136 Q HN 1.032 nan 8.270 nan 0.000 0.496 137 G N 0.408 109.273 108.800 0.108 0.000 2.350 137 G HA2 -0.109 3.854 3.960 0.006 0.000 0.298 137 G HA3 -0.109 3.854 3.960 0.006 0.000 0.298 137 G C -0.100 174.888 174.900 0.147 0.000 1.037 137 G CA 0.215 45.397 45.100 0.137 0.000 1.074 137 G HN 0.821 nan 8.290 nan 0.000 0.511 138 A N -0.185 122.766 122.820 0.218 0.000 2.574 138 A HA 0.850 5.174 4.320 0.006 0.000 0.297 138 A C -0.306 177.359 177.584 0.134 0.000 1.062 138 A CA -0.761 51.357 52.037 0.135 0.000 0.686 138 A CB 1.359 20.436 19.000 0.127 0.000 1.285 138 A HN 0.822 nan 8.150 nan 0.000 0.403 139 L N 1.519 122.749 121.223 0.011 0.000 2.334 139 L HA 0.513 4.857 4.340 0.006 0.000 0.270 139 L C -0.155 176.637 176.870 -0.130 0.000 1.018 139 L CA -0.880 53.900 54.840 -0.100 0.000 0.811 139 L CB 1.309 43.255 42.059 -0.189 0.000 1.271 139 L HN 0.666 nan 8.230 nan 0.000 0.443 140 L N 2.058 123.149 121.223 -0.219 0.000 2.483 140 L HA 0.005 4.349 4.340 0.006 0.000 0.276 140 L C 0.754 177.534 176.870 -0.150 0.000 1.213 140 L CA 0.264 54.912 54.840 -0.320 0.000 0.843 140 L CB -0.110 41.762 42.059 -0.312 0.000 1.107 140 L HN 0.721 nan 8.230 nan 0.000 0.487 141 N N 1.340 119.998 118.700 -0.070 0.000 2.754 141 N HA -0.195 4.549 4.740 0.006 0.000 0.248 141 N C -0.943 174.584 175.510 0.029 0.000 1.093 141 N CA 1.036 54.120 53.050 0.057 0.000 0.699 141 N CB -0.750 37.744 38.487 0.011 0.000 1.016 141 N HN 0.785 nan 8.380 nan 0.000 0.552 142 D N -0.986 119.433 120.400 0.031 0.000 2.661 142 D HA 0.260 4.904 4.640 0.006 0.000 0.228 142 D C 1.094 177.432 176.300 0.063 0.000 1.210 142 D CA -0.584 53.448 54.000 0.053 0.000 0.826 142 D CB 0.962 41.800 40.800 0.064 0.000 1.542 142 D HN 0.100 nan 8.370 nan 0.000 0.447 143 K N 0.932 121.341 120.400 0.016 0.000 2.209 143 K HA -0.173 4.151 4.320 0.006 0.000 0.204 143 K C 0.703 177.232 176.600 -0.117 0.000 1.048 143 K CA 1.318 57.564 56.287 -0.069 0.000 0.940 143 K CB -0.266 32.135 32.500 -0.165 0.000 0.729 143 K HN 0.464 nan 8.250 nan 0.000 0.451 144 H N 1.075 120.152 119.070 0.010 0.000 2.546 144 H HA -0.002 4.556 4.556 0.003 0.000 0.277 144 H C 2.021 177.364 175.328 0.025 0.000 1.004 144 H CA 1.285 57.331 56.048 -0.004 0.000 1.231 144 H CB 0.201 29.941 29.762 -0.036 0.000 1.382 144 H HN 0.499 nan 8.280 nan 0.000 0.580 145 S N -0.117 115.661 115.700 0.130 0.000 2.522 145 S HA -0.105 4.368 4.470 0.006 0.000 0.227 145 S C 1.079 175.785 174.600 0.176 0.000 0.986 145 S CA -0.218 58.063 58.200 0.135 0.000 0.929 145 S CB -0.304 62.941 63.200 0.076 0.000 0.769 145 S HN 0.269 nan 8.310 nan 0.000 0.529 146 N N 2.570 121.345 118.700 0.125 0.000 2.236 146 N HA 0.042 4.786 4.740 0.006 0.000 0.274 146 N C 1.094 176.662 175.510 0.097 0.000 1.339 146 N CA 0.729 53.837 53.050 0.097 0.000 0.845 146 N CB 0.467 38.977 38.487 0.039 0.000 1.091 146 N HN 0.360 nan 8.380 nan 0.000 0.489 147 G N 1.873 110.729 108.800 0.093 0.000 2.484 147 G HA2 -0.220 3.744 3.960 0.006 0.000 0.218 147 G HA3 -0.220 3.744 3.960 0.006 0.000 0.218 147 G C 1.358 176.289 174.900 0.052 0.000 1.130 147 G CA 1.069 46.217 45.100 0.080 0.000 0.784 147 G HN 0.713 nan 8.290 nan 0.000 0.543 148 T N -0.295 114.282 114.554 0.038 0.000 2.918 148 T HA -0.078 4.276 4.350 0.006 0.000 0.271 148 T C 1.164 175.889 174.700 0.041 0.000 1.104 148 T CA 0.538 62.654 62.100 0.027 0.000 1.114 148 T CB -0.703 68.175 68.868 0.018 0.000 0.855 148 T HN 0.006 nan 8.240 nan 0.000 0.518 149 V N 2.557 122.513 119.914 0.070 0.000 2.681 149 V HA 0.019 4.143 4.120 0.006 0.000 0.306 149 V C 0.882 177.014 176.094 0.063 0.000 1.077 149 V CA -0.160 62.200 62.300 0.100 0.000 1.224 149 V CB -0.351 31.565 31.823 0.155 0.000 0.879 149 V HN 0.502 nan 8.190 nan 0.000 0.494 150 K N 3.552 123.975 120.400 0.038 0.000 2.469 150 K HA -0.003 4.321 4.320 0.006 0.000 0.274 150 K C 0.640 177.226 176.600 -0.023 0.000 0.983 150 K CA -0.190 56.086 56.287 -0.019 0.000 0.974 150 K CB 0.321 32.783 32.500 -0.063 0.000 0.913 150 K HN 0.600 nan 8.250 nan 0.000 0.493 151 D N 1.475 121.841 120.400 -0.056 0.000 2.117 151 D HA -0.107 4.537 4.640 0.006 0.000 0.197 151 D C 0.179 176.418 176.300 -0.102 0.000 0.987 151 D CA 1.411 55.385 54.000 -0.043 0.000 0.829 151 D CB 0.201 40.974 40.800 -0.045 0.000 0.961 151 D HN 0.293 nan 8.370 nan 0.000 0.460 152 R N 0.643 120.953 120.500 -0.317 0.000 3.171 152 R HA 0.265 4.608 4.340 0.006 0.000 0.241 152 R C -0.242 175.839 176.300 -0.365 0.000 1.421 152 R CA -0.217 55.457 56.100 -0.709 0.000 1.444 152 R CB 0.550 29.994 30.300 -1.427 0.000 1.247 152 R HN 0.066 nan 8.270 nan 0.000 0.636 153 S N 0.161 115.818 115.700 -0.072 0.000 2.651 153 S HA 0.431 4.905 4.470 0.006 0.000 0.291 153 S C -1.615 172.961 174.600 -0.040 0.000 1.141 153 S CA -1.409 56.746 58.200 -0.075 0.000 1.027 153 S CB 1.756 64.942 63.200 -0.024 0.000 1.043 153 S HN 0.158 nan 8.310 nan 0.000 0.530 154 P HA 0.020 nan 4.420 nan 0.000 0.237 154 P C 0.220 177.378 177.300 -0.236 0.000 1.178 154 P CA 0.734 63.682 63.100 -0.253 0.000 0.766 154 P CB -0.260 31.235 31.700 -0.341 0.000 0.876 155 Y N -0.400 119.969 120.300 0.115 0.000 2.523 155 Y HA 0.191 4.744 4.550 0.005 0.000 0.279 155 Y C 1.522 177.480 175.900 0.097 0.000 1.139 155 Y CA -0.512 57.643 58.100 0.091 0.000 1.296 155 Y CB -0.620 37.889 38.460 0.081 0.000 1.045 155 Y HN -0.185 nan 8.280 nan 0.000 0.538 156 R N 1.282 121.909 120.500 0.211 0.000 2.438 156 R HA 0.312 4.656 4.340 0.006 0.000 0.287 156 R C 0.049 176.423 176.300 0.122 0.000 1.077 156 R CA 0.218 56.427 56.100 0.181 0.000 1.034 156 R CB 0.571 31.006 30.300 0.224 0.000 0.993 156 R HN 0.173 nan 8.270 nan 0.000 0.459 157 T N 0.226 114.814 114.554 0.056 0.000 2.900 157 T HA 0.370 4.724 4.350 0.006 0.000 0.295 157 T C -0.730 173.871 174.700 -0.165 0.000 1.044 157 T CA -0.974 61.118 62.100 -0.012 0.000 0.995 157 T CB 1.503 70.430 68.868 0.099 0.000 1.072 157 T HN 0.276 nan 8.240 nan 0.000 0.473 158 L N 2.921 123.981 121.223 -0.271 0.000 2.281 158 L HA 0.675 5.018 4.340 0.006 0.000 0.285 158 L C -0.584 175.919 176.870 -0.611 0.000 1.074 158 L CA -0.198 54.421 54.840 -0.368 0.000 0.817 158 L CB 0.175 42.079 42.059 -0.259 0.000 1.168 158 L HN 0.803 nan 8.230 nan 0.000 0.434 159 M N 3.271 122.351 119.600 -0.867 0.000 2.727 159 M HA 0.655 5.138 4.480 0.006 0.000 0.300 159 M C -0.498 175.035 176.300 -1.279 0.000 1.246 159 M CA -0.713 53.979 55.300 -1.014 0.000 0.835 159 M CB 2.481 34.490 32.600 -0.985 0.000 1.755 159 M HN 0.664 nan 8.290 nan 0.000 0.473 160 S N 0.096 115.213 115.700 -0.971 0.000 2.564 160 S HA 0.882 5.355 4.470 0.006 0.000 0.274 160 S C -0.898 173.429 174.600 -0.454 0.000 1.124 160 S CA -0.850 56.767 58.200 -0.973 0.000 0.869 160 S CB 1.737 63.962 63.200 -1.625 0.000 1.105 160 S HN 1.077 nan 8.310 nan 0.000 0.472 161 C N -1.184 117.945 119.300 -0.285 0.000 3.236 161 C HA 0.885 5.349 4.460 0.006 0.000 0.312 161 C C -3.197 171.675 174.990 -0.196 0.000 1.374 161 C CA -2.146 56.790 59.018 -0.137 0.000 1.455 161 C CB 0.569 28.329 27.740 0.034 0.000 1.834 161 C HN 0.664 nan 8.230 nan 0.000 0.460 162 P HA 0.183 nan 4.420 nan 0.000 0.269 162 P C -0.209 177.012 177.300 -0.132 0.000 1.209 162 P CA 0.092 63.115 63.100 -0.127 0.000 0.776 162 P CB 0.373 32.018 31.700 -0.091 0.000 0.876 163 V N 3.111 122.949 119.914 -0.128 0.000 2.617 163 V HA 0.176 4.299 4.120 0.006 0.000 0.304 163 V C 1.678 177.681 176.094 -0.152 0.000 1.040 163 V CA 2.183 64.400 62.300 -0.138 0.000 1.149 163 V CB -0.511 31.246 31.823 -0.110 0.000 0.914 163 V HN 1.045 nan 8.190 nan 0.000 0.487 164 G N 3.713 112.424 108.800 -0.147 0.000 2.175 164 G HA2 -0.195 3.769 3.960 0.006 0.000 0.244 164 G HA3 -0.195 3.769 3.960 0.006 0.000 0.244 164 G C 0.015 174.847 174.900 -0.113 0.000 0.982 164 G CA 0.167 45.183 45.100 -0.141 0.000 0.641 164 G HN 0.677 nan 8.290 nan 0.000 0.527 165 E N 0.501 120.634 120.200 -0.112 0.000 2.204 165 E HA 0.621 4.975 4.350 0.006 0.000 0.276 165 E C 0.623 177.155 176.600 -0.115 0.000 0.974 165 E CA -0.243 56.099 56.400 -0.097 0.000 0.815 165 E CB 1.536 31.186 29.700 -0.083 0.000 1.119 165 E HN 0.623 nan 8.360 nan 0.000 0.393 166 A N 4.214 126.970 122.820 -0.107 0.000 2.540 166 A HA 0.153 4.477 4.320 0.006 0.000 0.239 166 A C -2.039 175.445 177.584 -0.167 0.000 1.061 166 A CA -0.967 50.988 52.037 -0.137 0.000 0.758 166 A CB -0.331 18.600 19.000 -0.116 0.000 0.991 166 A HN 0.333 nan 8.150 nan 0.000 0.502 167 P HA 0.126 nan 4.420 nan 0.000 0.277 167 P C 0.090 177.314 177.300 -0.126 0.000 1.354 167 P CA 0.233 63.172 63.100 -0.269 0.000 0.891 167 P CB 0.998 32.179 31.700 -0.865 0.000 1.058 168 S N 3.777 119.406 115.700 -0.118 0.000 4.359 168 S HA 0.163 4.636 4.470 0.006 0.000 0.202 168 S C 0.684 175.027 174.600 -0.429 0.000 1.078 168 S CA -0.135 57.803 58.200 -0.436 0.000 1.776 168 S CB -0.567 62.389 63.200 -0.406 0.000 0.891 168 S HN 0.236 nan 8.310 nan 0.000 0.780 169 Y N 2.899 123.153 120.300 -0.078 0.000 4.758 169 Y HA -0.239 4.314 4.550 0.005 0.000 0.235 169 Y C 1.274 177.160 175.900 -0.023 0.000 0.956 169 Y CA 1.451 59.522 58.100 -0.049 0.000 2.043 169 Y CB -2.299 36.117 38.460 -0.073 0.000 1.508 169 Y HN 0.852 nan 8.280 nan 0.000 0.525 170 N N -1.813 116.937 118.700 0.083 0.000 2.160 170 N HA 0.156 4.900 4.740 0.006 0.000 0.226 170 N C -0.537 175.002 175.510 0.049 0.000 1.256 170 N CA 0.356 53.438 53.050 0.052 0.000 0.890 170 N CB 0.420 38.919 38.487 0.020 0.000 1.116 170 N HN 0.084 nan 8.380 nan 0.000 0.517 171 S N 0.627 116.390 115.700 0.106 0.000 2.475 171 S HA 0.395 4.869 4.470 0.006 0.000 0.298 171 S C -0.390 174.237 174.600 0.044 0.000 1.119 171 S CA -0.735 57.536 58.200 0.118 0.000 1.085 171 S CB 2.219 65.640 63.200 0.368 0.000 1.028 171 S HN 0.274 nan 8.310 nan 0.000 0.489 172 R N 1.715 122.167 120.500 -0.081 0.000 2.357 172 R HA 0.364 4.708 4.340 0.006 0.000 0.296 172 R C -0.822 175.404 176.300 -0.123 0.000 1.052 172 R CA -0.525 55.519 56.100 -0.092 0.000 0.988 172 R CB 0.462 30.650 30.300 -0.188 0.000 1.025 172 R HN 0.591 nan 8.270 nan 0.000 0.469 173 F N 3.597 123.460 119.950 -0.145 0.000 2.412 173 F HA 0.148 4.680 4.527 0.008 0.000 0.348 173 F C 0.505 176.211 175.800 -0.157 0.000 1.102 173 F CA 0.164 58.069 58.000 -0.159 0.000 1.196 173 F CB 1.069 40.013 39.000 -0.094 0.000 1.144 173 F HN 0.651 nan 8.300 nan 0.000 0.541 174 E N 2.417 121.900 120.200 -1.195 0.000 2.279 174 E HA 0.154 4.508 4.350 0.006 0.000 0.199 174 E C -0.150 175.859 176.600 -0.984 0.000 0.893 174 E CA 0.259 56.170 56.400 -0.815 0.000 0.978 174 E CB 0.601 30.034 29.700 -0.445 0.000 0.964 174 E HN 0.472 nan 8.360 nan 0.000 0.486 175 S N -0.243 114.721 115.700 -1.226 0.000 2.567 175 S HA 0.352 4.826 4.470 0.006 0.000 0.270 175 S C -1.383 173.057 174.600 -0.266 0.000 1.152 175 S CA -0.623 57.271 58.200 -0.511 0.000 0.835 175 S CB 1.648 64.693 63.200 -0.259 0.000 1.115 175 S HN -0.075 nan 8.310 nan 0.000 0.459 176 V N 2.388 122.341 119.914 0.066 0.000 2.461 176 V HA 0.801 4.924 4.120 0.006 0.000 0.275 176 V C 0.358 176.411 176.094 -0.068 0.000 1.047 176 V CA 0.306 62.654 62.300 0.081 0.000 0.955 176 V CB 0.378 32.270 31.823 0.115 0.000 0.988 176 V HN 1.063 nan 8.190 nan 0.000 0.471 177 A N 5.346 128.123 122.820 -0.072 0.000 2.547 177 A HA 0.560 4.883 4.320 0.006 0.000 0.298 177 A C -0.367 177.213 177.584 -0.005 0.000 1.062 177 A CA -0.709 51.234 52.037 -0.157 0.000 0.748 177 A CB 0.997 19.919 19.000 -0.131 0.000 1.288 177 A HN 1.023 nan 8.150 nan 0.000 0.396 178 W N 1.460 122.774 121.300 0.023 0.000 3.008 178 W HA 0.541 5.204 4.660 0.005 0.000 0.355 178 W C -0.005 176.548 176.519 0.056 0.000 1.095 178 W CA 0.316 57.683 57.345 0.036 0.000 1.738 178 W CB 0.173 29.648 29.460 0.026 0.000 1.091 178 W HN 0.870 nan 8.180 nan 0.000 0.574 179 S N 0.865 116.655 115.700 0.150 0.000 2.537 179 S HA 0.730 5.203 4.470 0.006 0.000 0.270 179 S C -1.215 173.399 174.600 0.024 0.000 1.142 179 S CA -0.056 58.252 58.200 0.179 0.000 0.870 179 S CB 1.481 64.829 63.200 0.247 0.000 1.112 179 S HN 0.389 nan 8.310 nan 0.000 0.466 180 A N 1.949 124.812 122.820 0.073 0.000 2.610 180 A HA 0.917 5.240 4.320 0.006 0.000 0.291 180 A C -0.715 176.858 177.584 -0.018 0.000 1.086 180 A CA -0.521 51.540 52.037 0.041 0.000 0.677 180 A CB 1.498 20.562 19.000 0.107 0.000 1.278 180 A HN 1.092 nan 8.150 nan 0.000 0.414 181 S N -1.209 114.468 115.700 -0.038 0.000 2.607 181 S HA 0.924 5.398 4.470 0.006 0.000 0.273 181 S C -1.071 173.512 174.600 -0.030 0.000 1.148 181 S CA 0.249 58.361 58.200 -0.148 0.000 0.833 181 S CB 1.767 64.903 63.200 -0.107 0.000 1.130 181 S HN 2.484 nan 8.310 nan 0.000 0.470 182 A N 0.743 123.539 122.820 -0.041 0.000 2.604 182 A HA 0.824 5.148 4.320 0.006 0.000 0.295 182 A C -0.844 176.807 177.584 0.112 0.000 1.067 182 A CA -0.340 51.648 52.037 -0.083 0.000 0.683 182 A CB 0.470 19.036 19.000 -0.723 0.000 1.281 182 A HN 2.033 nan 8.150 nan 0.000 0.407 183 c N -0.018 118.749 118.600 0.279 0.000 3.303 183 c HA 0.814 5.388 4.570 0.006 0.000 0.340 183 c C -0.961 173.277 174.090 0.246 0.000 1.274 183 c CA -0.739 55.796 56.329 0.344 0.000 1.234 183 c CB 0.976 43.620 42.510 0.224 0.000 1.532 183 c HN 1.151 nan 8.230 nan 0.000 0.483 184 H N 1.419 120.400 119.070 -0.148 0.000 2.469 184 H HA 0.395 4.955 4.556 0.006 0.000 0.342 184 H C -0.255 174.972 175.328 -0.168 0.000 1.115 184 H CA 0.344 56.128 56.048 -0.439 0.000 1.204 184 H CB 2.115 31.239 29.762 -1.063 0.000 1.492 184 H HN 0.957 nan 8.280 nan 0.000 0.499 185 D N 2.224 122.503 120.400 -0.202 0.000 2.349 185 D HA 0.115 4.759 4.640 0.006 0.000 0.214 185 D C 1.398 177.694 176.300 -0.006 0.000 1.063 185 D CA 0.599 54.579 54.000 -0.033 0.000 0.847 185 D CB 0.394 41.189 40.800 -0.007 0.000 0.933 185 D HN 0.888 nan 8.370 nan 0.000 0.513 186 G N 0.218 109.079 108.800 0.101 0.000 2.259 186 G HA2 -0.305 3.659 3.960 0.006 0.000 0.217 186 G HA3 -0.305 3.659 3.960 0.006 0.000 0.217 186 G C 1.003 175.809 174.900 -0.157 0.000 1.001 186 G CA 0.369 45.448 45.100 -0.035 0.000 0.627 186 G HN 0.339 nan 8.290 nan 0.000 0.501 187 M N -0.024 119.481 119.600 -0.159 0.000 2.638 187 M HA 0.440 4.924 4.480 0.006 0.000 0.256 187 M C 1.104 177.234 176.300 -0.283 0.000 1.282 187 M CA 1.273 56.501 55.300 -0.119 0.000 1.155 187 M CB 1.451 34.045 32.600 -0.009 0.000 1.345 187 M HN 0.626 nan 8.290 nan 0.000 0.523 188 G N -0.855 107.492 108.800 -0.756 0.000 2.623 188 G HA2 0.417 4.381 3.960 0.006 0.000 0.290 188 G HA3 0.417 4.381 3.960 0.006 0.000 0.290 188 G C -2.392 171.830 174.900 -1.131 0.000 1.437 188 G CA -0.839 43.677 45.100 -0.974 0.000 0.798 188 G HN 0.183 nan 8.290 nan 0.000 0.488 189 W N 0.173 121.140 121.300 -0.554 0.000 2.311 189 W HA 0.516 5.181 4.660 0.007 0.000 0.310 189 W C 0.204 176.603 176.519 -0.201 0.000 1.274 189 W CA -0.381 56.839 57.345 -0.208 0.000 1.215 189 W CB 1.509 30.986 29.460 0.028 0.000 1.227 189 W HN 0.369 nan 8.180 nan 0.000 0.523 190 L N 5.541 126.914 121.223 0.250 0.000 2.275 190 L HA 0.574 4.917 4.340 0.006 0.000 0.288 190 L C 0.246 177.223 176.870 0.178 0.000 1.046 190 L CA -0.038 54.948 54.840 0.243 0.000 0.805 190 L CB 0.603 42.782 42.059 0.200 0.000 1.193 190 L HN 0.405 nan 8.230 nan 0.000 0.426 191 T N 3.099 117.713 114.554 0.100 0.000 2.887 191 T HA 0.745 5.099 4.350 0.006 0.000 0.288 191 T C -0.299 174.400 174.700 -0.002 0.000 1.021 191 T CA -0.604 61.502 62.100 0.009 0.000 1.000 191 T CB 1.319 70.164 68.868 -0.038 0.000 1.034 191 T HN 0.466 nan 8.240 nan 0.000 0.467 192 I N 1.570 122.125 120.570 -0.025 0.000 2.439 192 I HA 0.608 4.782 4.170 0.006 0.000 0.285 192 I C 0.239 176.317 176.117 -0.064 0.000 1.021 192 I CA -0.845 60.433 61.300 -0.035 0.000 1.091 192 I CB 2.011 39.997 38.000 -0.024 0.000 1.242 192 I HN 0.993 nan 8.210 nan 0.000 0.439 193 G N 7.245 115.988 108.800 -0.096 0.000 2.626 193 G HA2 0.715 4.679 3.960 0.006 0.000 0.304 193 G HA3 0.715 4.679 3.960 0.006 0.000 0.304 193 G C -0.915 173.850 174.900 -0.224 0.000 1.385 193 G CA -0.372 44.640 45.100 -0.145 0.000 0.957 193 G HN 0.456 nan 8.290 nan 0.000 0.504 194 I N 2.006 122.361 120.570 -0.358 0.000 2.336 194 I HA 0.506 4.680 4.170 0.006 0.000 0.292 194 I C 0.408 175.893 176.117 -1.053 0.000 0.991 194 I CA -0.221 60.722 61.300 -0.595 0.000 1.227 194 I CB 1.782 39.392 38.000 -0.650 0.000 1.366 194 I HN 0.459 nan 8.210 nan 0.000 0.466 195 S N 3.417 118.644 115.700 -0.788 0.000 2.794 195 S HA 0.967 5.441 4.470 0.006 0.000 0.299 195 S C -0.362 174.109 174.600 -0.215 0.000 1.179 195 S CA 0.165 57.930 58.200 -0.725 0.000 0.838 195 S CB 1.791 64.818 63.200 -0.288 0.000 1.206 195 S HN 1.124 nan 8.310 nan 0.000 0.523 196 G N 1.263 110.142 108.800 0.132 0.000 2.566 196 G HA2 0.012 3.976 3.960 0.006 0.000 0.599 196 G HA3 0.012 3.976 3.960 0.006 0.000 0.599 196 G C -3.324 171.781 174.900 0.341 0.000 1.292 196 G CA -0.483 44.723 45.100 0.178 0.000 0.922 196 G HN 0.652 nan 8.290 nan 0.000 0.514 197 P HA 0.314 nan 4.420 nan 0.000 0.274 197 P C 0.030 177.420 177.300 0.151 0.000 1.237 197 P CA -0.115 63.065 63.100 0.133 0.000 0.793 197 P CB 0.762 32.501 31.700 0.064 0.000 0.977 198 D N 0.875 121.299 120.400 0.041 0.000 2.182 198 D HA -0.160 4.484 4.640 0.006 0.000 0.201 198 D C 1.323 177.633 176.300 0.017 0.000 0.986 198 D CA 1.526 55.526 54.000 0.001 0.000 0.847 198 D CB -0.526 40.221 40.800 -0.088 0.000 0.942 198 D HN 0.521 nan 8.370 nan 0.000 0.467 199 N N -0.547 118.159 118.700 0.010 0.000 2.398 199 N HA 0.090 4.834 4.740 0.006 0.000 0.188 199 N C 0.786 176.299 175.510 0.005 0.000 1.122 199 N CA 0.447 53.493 53.050 -0.007 0.000 0.866 199 N CB 0.461 38.940 38.487 -0.014 0.000 0.970 199 N HN 0.085 nan 8.380 nan 0.000 0.462 200 G N -1.198 107.624 108.800 0.036 0.000 5.569 200 G HA2 0.479 4.443 3.960 0.006 0.000 0.192 200 G HA3 0.479 4.443 3.960 0.006 0.000 0.192 200 G C -0.321 174.614 174.900 0.058 0.000 0.708 200 G CA -0.086 45.035 45.100 0.035 0.000 0.628 200 G HN 0.478 nan 8.290 nan 0.000 0.345 201 A N -0.046 122.832 122.820 0.096 0.000 2.466 201 A HA 0.629 4.952 4.320 0.006 0.000 0.238 201 A C 0.053 177.636 177.584 -0.001 0.000 1.074 201 A CA 0.264 52.358 52.037 0.094 0.000 0.774 201 A CB 0.897 20.016 19.000 0.198 0.000 1.015 201 A HN 0.852 nan 8.150 nan 0.000 0.498 202 V N 1.277 121.152 119.914 -0.065 0.000 2.588 202 V HA 0.573 4.697 4.120 0.006 0.000 0.304 202 V C 0.454 176.474 176.094 -0.122 0.000 1.042 202 V CA -0.267 61.997 62.300 -0.061 0.000 0.877 202 V CB 1.548 33.350 31.823 -0.034 0.000 0.996 202 V HN 1.225 nan 8.190 nan 0.000 0.425 203 A N 4.766 127.536 122.820 -0.084 0.000 2.309 203 A HA 0.667 4.991 4.320 0.006 0.000 0.290 203 A C -0.358 177.188 177.584 -0.063 0.000 1.206 203 A CA -0.266 51.715 52.037 -0.094 0.000 0.850 203 A CB 0.509 19.480 19.000 -0.048 0.000 1.118 203 A HN 0.695 nan 8.150 nan 0.000 0.523 204 V N 4.602 124.472 119.914 -0.074 0.000 2.383 204 V HA 0.254 4.378 4.120 0.006 0.000 0.275 204 V C -0.382 175.693 176.094 -0.032 0.000 1.036 204 V CA -0.295 61.979 62.300 -0.043 0.000 0.889 204 V CB 0.833 32.634 31.823 -0.037 0.000 0.985 204 V HN 0.715 nan 8.190 nan 0.000 0.459 205 L N 6.340 127.555 121.223 -0.013 0.000 2.289 205 L HA 0.547 4.890 4.340 0.006 0.000 0.285 205 L C 0.173 177.060 176.870 0.029 0.000 1.049 205 L CA 0.128 54.970 54.840 0.003 0.000 0.804 205 L CB 1.196 43.254 42.059 -0.000 0.000 1.195 205 L HN 0.531 nan 8.230 nan 0.000 0.428 206 K N 2.591 123.023 120.400 0.052 0.000 2.316 206 K HA 0.496 4.819 4.320 0.006 0.000 0.251 206 K C -1.704 174.997 176.600 0.168 0.000 0.934 206 K CA -0.826 55.513 56.287 0.086 0.000 0.802 206 K CB 2.493 35.026 32.500 0.054 0.000 1.171 206 K HN 0.366 nan 8.250 nan 0.000 0.426 207 Y N 2.531 122.845 120.300 0.024 0.000 2.361 207 Y HA 0.183 4.736 4.550 0.006 0.000 0.337 207 Y C -0.328 175.602 175.900 0.050 0.000 0.965 207 Y CA -0.679 57.440 58.100 0.031 0.000 1.091 207 Y CB 1.011 39.467 38.460 -0.006 0.000 1.182 207 Y HN 0.730 nan 8.280 nan 0.000 0.450 208 N N 4.014 122.557 118.700 -0.262 0.000 2.725 208 N HA -0.213 4.531 4.740 0.006 0.000 0.249 208 N C 0.948 176.465 175.510 0.012 0.000 1.103 208 N CA 1.646 54.624 53.050 -0.120 0.000 0.707 208 N CB -1.264 37.143 38.487 -0.134 0.000 1.043 208 N HN 1.379 nan 8.380 nan 0.000 0.553 209 G N -1.629 107.194 108.800 0.038 0.000 2.184 209 G HA2 -0.314 3.650 3.960 0.006 0.000 0.264 209 G HA3 -0.314 3.650 3.960 0.006 0.000 0.264 209 G C 0.034 174.973 174.900 0.064 0.000 0.975 209 G CA 0.510 45.641 45.100 0.051 0.000 0.642 209 G HN 0.422 nan 8.290 nan 0.000 0.536 210 I N 1.556 122.169 120.570 0.073 0.000 2.359 210 I HA 0.402 4.576 4.170 0.006 0.000 0.294 210 I C 1.224 177.386 176.117 0.075 0.000 0.987 210 I CA -1.577 59.766 61.300 0.073 0.000 1.225 210 I CB 1.226 39.272 38.000 0.077 0.000 1.366 210 I HN 0.018 nan 8.210 nan 0.000 0.466 211 I N 5.835 126.439 120.570 0.057 0.000 2.668 211 I HA -0.070 4.104 4.170 0.006 0.000 0.285 211 I C 1.307 177.448 176.117 0.040 0.000 1.168 211 I CA 0.539 61.866 61.300 0.044 0.000 1.424 211 I CB 0.505 38.524 38.000 0.031 0.000 1.377 211 I HN 0.735 nan 8.210 nan 0.000 0.560 212 T N -0.306 114.269 114.554 0.035 0.000 2.958 212 T HA 0.250 4.604 4.350 0.006 0.000 0.256 212 T C 0.108 174.803 174.700 -0.008 0.000 0.983 212 T CA -0.246 61.864 62.100 0.016 0.000 0.924 212 T CB 0.538 69.417 68.868 0.018 0.000 1.136 212 T HN 0.572 nan 8.240 nan 0.000 0.506 213 D N 0.602 120.999 120.400 -0.006 0.000 2.742 213 D HA 0.417 5.061 4.640 0.006 0.000 0.262 213 D C -1.478 174.814 176.300 -0.013 0.000 1.240 213 D CA -0.089 53.901 54.000 -0.016 0.000 0.752 213 D CB 1.918 42.699 40.800 -0.031 0.000 1.290 213 D HN 0.297 nan 8.370 nan 0.000 0.420 214 T N -1.077 113.469 114.554 -0.014 0.000 2.906 214 T HA 0.829 5.183 4.350 0.006 0.000 0.295 214 T C -0.483 174.214 174.700 -0.006 0.000 1.075 214 T CA -0.675 61.418 62.100 -0.011 0.000 1.005 214 T CB 1.084 69.947 68.868 -0.008 0.000 1.136 214 T HN 0.302 nan 8.240 nan 0.000 0.498 215 I N 1.259 121.832 120.570 0.005 0.000 2.500 215 I HA 0.453 4.627 4.170 0.006 0.000 0.286 215 I C -0.291 175.861 176.117 0.060 0.000 1.063 215 I CA -0.850 60.470 61.300 0.033 0.000 1.062 215 I CB 2.245 40.273 38.000 0.045 0.000 1.223 215 I HN 0.620 nan 8.210 nan 0.000 0.435 216 K N 3.613 124.061 120.400 0.081 0.000 2.118 216 K HA 0.398 4.722 4.320 0.006 0.000 0.267 216 K C 0.217 176.916 176.600 0.165 0.000 0.991 216 K CA -0.390 55.950 56.287 0.088 0.000 0.916 216 K CB 1.554 34.091 32.500 0.062 0.000 1.041 216 K HN 0.567 nan 8.250 nan 0.000 0.455 217 S N 3.009 118.763 115.700 0.090 0.000 2.626 217 S HA -0.096 4.378 4.470 0.006 0.000 0.303 217 S C 0.503 175.152 174.600 0.081 0.000 1.256 217 S CA 0.226 58.427 58.200 0.002 0.000 1.069 217 S CB 0.071 63.235 63.200 -0.060 0.000 0.807 217 S HN 0.697 nan 8.310 nan 0.000 0.500 218 W N 5.573 126.861 121.300 -0.019 0.000 3.058 218 W HA 0.490 5.154 4.660 0.006 0.000 0.306 218 W C 1.193 177.693 176.519 -0.032 0.000 1.188 218 W CA -0.539 56.790 57.345 -0.027 0.000 1.651 218 W CB 0.217 29.654 29.460 -0.038 0.000 1.051 218 W HN 0.473 nan 8.180 nan 0.000 0.592 219 R N 1.135 121.328 120.500 -0.512 0.000 2.476 219 R HA 0.084 4.427 4.340 0.006 0.000 0.276 219 R C 0.030 176.197 176.300 -0.221 0.000 0.941 219 R CA 0.073 55.971 56.100 -0.337 0.000 1.088 219 R CB -0.884 29.143 30.300 -0.455 0.000 1.216 219 R HN 0.148 nan 8.270 nan 0.000 0.533 220 N N 1.767 120.352 118.700 -0.192 0.000 2.735 220 N HA -0.214 4.530 4.740 0.006 0.000 0.248 220 N C -0.590 174.853 175.510 -0.111 0.000 1.083 220 N CA 0.898 53.882 53.050 -0.111 0.000 0.703 220 N CB -1.412 37.037 38.487 -0.063 0.000 1.005 220 N HN 0.243 nan 8.380 nan 0.000 0.550 221 N N 0.611 119.219 118.700 -0.152 0.000 2.732 221 N HA 0.272 5.016 4.740 0.006 0.000 0.235 221 N C -0.431 175.016 175.510 -0.104 0.000 1.466 221 N CA -0.370 52.607 53.050 -0.120 0.000 0.751 221 N CB -0.201 38.206 38.487 -0.134 0.000 1.317 221 N HN 0.289 nan 8.380 nan 0.000 0.525 222 I N 0.483 121.031 120.570 -0.037 0.000 6.963 222 I HA -0.315 3.859 4.170 0.006 0.000 0.126 222 I C -0.152 176.015 176.117 0.084 0.000 1.830 222 I CA -0.042 61.291 61.300 0.056 0.000 2.046 222 I CB -0.837 37.149 38.000 -0.023 0.000 3.568 222 I HN 0.331 nan 8.210 nan 0.000 0.172 223 L N 5.921 127.180 121.223 0.059 0.000 2.578 223 L HA 0.243 4.586 4.340 0.006 0.000 0.279 223 L C 0.850 177.808 176.870 0.146 0.000 1.227 223 L CA 1.040 55.871 54.840 -0.015 0.000 0.900 223 L CB 0.194 42.226 42.059 -0.046 0.000 1.144 223 L HN 0.554 nan 8.230 nan 0.000 0.496 224 R N 2.387 122.952 120.500 0.108 0.000 2.692 224 R HA 0.667 5.011 4.340 0.006 0.000 0.269 224 R C -1.044 175.333 176.300 0.128 0.000 1.030 224 R CA -0.744 55.459 56.100 0.173 0.000 0.882 224 R CB 1.391 31.833 30.300 0.237 0.000 1.250 224 R HN 0.556 nan 8.270 nan 0.000 0.465 225 T N -1.136 113.491 114.554 0.122 0.000 2.565 225 T HA 0.185 4.538 4.350 0.006 0.000 0.266 225 T C 0.475 175.231 174.700 0.093 0.000 0.905 225 T CA -0.358 61.799 62.100 0.095 0.000 1.122 225 T CB 1.491 70.392 68.868 0.055 0.000 1.437 225 T HN 0.651 nan 8.240 nan 0.000 0.506 226 Q N 0.192 120.023 119.800 0.051 0.000 2.079 226 Q HA -0.027 4.317 4.340 0.006 0.000 0.200 226 Q C -0.156 175.876 176.000 0.053 0.000 0.974 226 Q CA 1.305 57.133 55.803 0.043 0.000 0.840 226 Q CB 0.031 28.767 28.738 -0.004 0.000 0.898 226 Q HN 0.616 nan 8.270 nan 0.000 0.430 227 E N -0.101 120.097 120.200 -0.004 0.000 2.637 227 E HA -0.177 4.177 4.350 0.006 0.000 0.265 227 E C -0.426 176.082 176.600 -0.154 0.000 1.073 227 E CA 1.169 57.590 56.400 0.035 0.000 0.778 227 E CB -2.304 27.590 29.700 0.323 0.000 1.362 227 E HN 0.478 nan 8.360 nan 0.000 0.413 228 S N -1.750 113.603 115.700 -0.579 0.000 2.703 228 S HA 0.452 4.926 4.470 0.006 0.000 0.273 228 S C -0.426 173.743 174.600 -0.719 0.000 1.178 228 S CA -0.683 57.120 58.200 -0.661 0.000 0.838 228 S CB 1.657 65.031 63.200 0.290 0.000 1.178 228 S HN 0.236 nan 8.310 nan 0.000 0.494 229 E N 0.233 120.351 120.200 -0.136 0.000 2.360 229 E HA 0.433 4.787 4.350 0.006 0.000 0.269 229 E C 0.508 177.171 176.600 0.106 0.000 1.022 229 E CA -0.882 55.564 56.400 0.077 0.000 0.887 229 E CB 0.101 30.022 29.700 0.368 0.000 0.990 229 E HN 0.809 nan 8.360 nan 0.000 0.426 230 c N 2.001 120.662 118.600 0.102 0.000 2.633 230 c HA 0.751 5.325 4.570 0.006 0.000 0.345 230 c C 0.611 174.829 174.090 0.213 0.000 1.384 230 c CA -0.504 55.914 56.329 0.148 0.000 2.418 230 c CB -0.112 42.470 42.510 0.120 0.000 2.425 230 c HN 0.828 nan 8.230 nan 0.000 0.705 231 A N -0.334 122.638 122.820 0.253 0.000 2.342 231 A HA 0.696 5.019 4.320 0.006 0.000 0.323 231 A C -0.609 177.164 177.584 0.314 0.000 1.125 231 A CA -0.339 51.858 52.037 0.267 0.000 0.785 231 A CB 0.467 19.598 19.000 0.219 0.000 1.221 231 A HN 1.063 nan 8.150 nan 0.000 0.463 232 c N 1.433 120.183 118.600 0.250 0.000 2.455 232 c HA 0.782 5.356 4.570 0.006 0.000 0.320 232 c C -0.285 173.940 174.090 0.225 0.000 1.226 232 c CA -0.499 55.967 56.329 0.228 0.000 1.569 232 c CB 0.944 43.533 42.510 0.133 0.000 2.200 232 c HN 0.650 nan 8.230 nan 0.000 0.491 233 V N 3.507 123.587 119.914 0.277 0.000 2.612 233 V HA 0.451 4.574 4.120 0.006 0.000 0.301 233 V C 0.086 176.290 176.094 0.183 0.000 1.059 233 V CA -0.339 62.090 62.300 0.215 0.000 0.886 233 V CB 1.615 33.568 31.823 0.217 0.000 1.007 233 V HN 0.977 nan 8.190 nan 0.000 0.426 234 N N 3.651 122.414 118.700 0.104 0.000 2.735 234 N HA -0.195 4.549 4.740 0.006 0.000 0.248 234 N C 0.990 176.528 175.510 0.048 0.000 1.083 234 N CA 1.954 55.047 53.050 0.070 0.000 0.703 234 N CB -1.010 37.526 38.487 0.081 0.000 1.005 234 N HN 1.915 nan 8.380 nan 0.000 0.550 235 G N -3.114 105.704 108.800 0.030 0.000 2.176 235 G HA2 -0.232 3.732 3.960 0.006 0.000 0.253 235 G HA3 -0.232 3.732 3.960 0.006 0.000 0.253 235 G C 0.001 174.860 174.900 -0.068 0.000 0.979 235 G CA 0.451 45.540 45.100 -0.019 0.000 0.641 235 G HN 0.810 nan 8.290 nan 0.000 0.530 236 S N -0.818 114.843 115.700 -0.064 0.000 2.568 236 S HA 0.756 5.230 4.470 0.006 0.000 0.302 236 S C 0.009 174.413 174.600 -0.327 0.000 1.082 236 S CA -0.262 57.783 58.200 -0.259 0.000 1.009 236 S CB 2.401 65.403 63.200 -0.331 0.000 1.069 236 S HN 0.642 nan 8.310 nan 0.000 0.500 237 c N 1.901 120.212 118.600 -0.482 0.000 2.614 237 c HA 0.798 5.372 4.570 0.006 0.000 0.320 237 c C -0.976 172.812 174.090 -0.505 0.000 1.200 237 c CA -0.831 55.328 56.329 -0.284 0.000 1.700 237 c CB 0.241 42.713 42.510 -0.063 0.000 2.275 237 c HN 0.831 nan 8.230 nan 0.000 0.492 238 F N 0.439 120.459 119.950 0.118 0.000 2.565 238 F HA 0.701 5.232 4.527 0.006 0.000 0.313 238 F C 0.389 176.274 175.800 0.142 0.000 1.091 238 F CA -0.310 57.782 58.000 0.152 0.000 0.915 238 F CB 2.182 41.400 39.000 0.363 0.000 1.208 238 F HN 0.571 nan 8.300 nan 0.000 0.453 239 T N 2.754 117.453 114.554 0.242 0.000 2.754 239 T HA 0.732 5.086 4.350 0.006 0.000 0.296 239 T C -1.924 172.829 174.700 0.089 0.000 1.205 239 T CA -0.549 61.647 62.100 0.160 0.000 1.009 239 T CB 1.354 70.273 68.868 0.086 0.000 1.368 239 T HN 0.345 nan 8.240 nan 0.000 0.509 240 I N 2.566 123.184 120.570 0.080 0.000 2.498 240 I HA 0.490 4.664 4.170 0.006 0.000 0.290 240 I C -0.441 175.729 176.117 0.088 0.000 1.032 240 I CA -0.693 60.634 61.300 0.044 0.000 1.073 240 I CB 1.750 39.779 38.000 0.048 0.000 1.251 240 I HN 0.701 nan 8.210 nan 0.000 0.426 241 M N 4.274 123.951 119.600 0.127 0.000 2.602 241 M HA 0.540 5.024 4.480 0.006 0.000 0.312 241 M C -0.510 175.977 176.300 0.311 0.000 1.181 241 M CA -0.518 54.911 55.300 0.216 0.000 0.910 241 M CB 2.824 35.589 32.600 0.275 0.000 1.723 241 M HN 0.443 nan 8.290 nan 0.000 0.459 242 T N 0.392 115.078 114.554 0.220 0.000 2.893 242 T HA 0.529 4.883 4.350 0.006 0.000 0.291 242 T C -1.493 173.138 174.700 -0.114 0.000 1.028 242 T CA -0.606 61.592 62.100 0.163 0.000 0.995 242 T CB 1.798 70.787 68.868 0.201 0.000 1.051 242 T HN 0.543 nan 8.240 nan 0.000 0.470 243 D N 0.172 120.371 120.400 -0.335 0.000 2.970 243 D HA 0.616 5.260 4.640 0.006 0.000 0.230 243 D C -0.077 175.981 176.300 -0.403 0.000 1.276 243 D CA 0.413 54.070 54.000 -0.572 0.000 0.910 243 D CB 1.635 41.595 40.800 -1.400 0.000 1.590 243 D HN 0.978 nan 8.370 nan 0.000 0.551 244 G N 2.721 111.366 108.800 -0.258 0.000 2.343 244 G HA2 0.046 4.010 3.960 0.006 0.000 0.465 244 G HA3 0.046 4.010 3.960 0.006 0.000 0.465 244 G C -2.975 171.870 174.900 -0.091 0.000 1.282 244 G CA -1.010 43.980 45.100 -0.184 0.000 0.996 244 G HN 0.398 nan 8.290 nan 0.000 0.521 245 P HA 0.226 nan 4.420 nan 0.000 0.267 245 P C 0.950 178.282 177.300 0.054 0.000 1.200 245 P CA 0.646 63.702 63.100 -0.072 0.000 0.772 245 P CB 0.887 32.481 31.700 -0.176 0.000 0.855 246 S N 0.201 115.920 115.700 0.032 0.000 2.556 246 S HA 0.008 4.482 4.470 0.006 0.000 0.216 246 S C 0.771 175.308 174.600 -0.104 0.000 0.970 246 S CA -0.008 58.263 58.200 0.119 0.000 0.912 246 S CB -0.742 62.522 63.200 0.107 0.000 0.790 246 S HN 0.543 nan 8.310 nan 0.000 0.504 247 N N 0.491 119.060 118.700 -0.219 0.000 2.377 247 N HA 0.414 5.157 4.740 0.006 0.000 0.259 247 N C 0.164 175.330 175.510 -0.573 0.000 1.332 247 N CA 0.087 52.977 53.050 -0.268 0.000 0.877 247 N CB 0.598 39.013 38.487 -0.122 0.000 1.299 247 N HN 0.420 nan 8.380 nan 0.000 0.501 248 G N -0.437 107.766 108.800 -0.995 0.000 2.489 248 G HA2 0.294 4.257 3.960 0.006 0.000 0.305 248 G HA3 0.294 4.257 3.960 0.006 0.000 0.305 248 G C -1.853 172.108 174.900 -1.565 0.000 1.311 248 G CA -0.791 43.244 45.100 -1.774 0.000 0.813 248 G HN 0.216 nan 8.290 nan 0.000 0.480 249 Q N -0.013 118.873 119.800 -1.523 0.000 2.286 249 Q HA 0.547 4.891 4.340 0.006 0.000 0.290 249 Q C 0.229 176.100 176.000 -0.215 0.000 1.049 249 Q CA 1.138 56.599 55.803 -0.571 0.000 0.923 249 Q CB 0.709 29.304 28.738 -0.237 0.000 1.183 249 Q HN 1.098 nan 8.270 nan 0.000 0.383 250 A N 2.918 125.723 122.820 -0.024 0.000 2.470 250 A HA 0.808 5.132 4.320 0.006 0.000 0.271 250 A C -1.030 176.148 177.584 -0.676 0.000 1.269 250 A CA -0.354 51.545 52.037 -0.229 0.000 0.828 250 A CB 1.731 20.692 19.000 -0.066 0.000 1.374 250 A HN 0.647 nan 8.150 nan 0.000 0.454 251 S N -1.081 114.219 115.700 -0.667 0.000 2.482 251 S HA 0.733 5.207 4.470 0.006 0.000 0.303 251 S C -1.894 172.402 174.600 -0.506 0.000 1.091 251 S CA -0.325 57.555 58.200 -0.534 0.000 1.057 251 S CB 0.316 63.565 63.200 0.080 0.000 1.031 251 S HN 0.459 nan 8.310 nan 0.000 0.485 252 Y N 2.418 122.824 120.300 0.176 0.000 2.361 252 Y HA 0.577 5.131 4.550 0.006 0.000 0.337 252 Y C 0.130 175.996 175.900 -0.056 0.000 0.965 252 Y CA -0.984 57.152 58.100 0.060 0.000 1.091 252 Y CB 1.507 39.892 38.460 -0.124 0.000 1.182 252 Y HN 0.460 nan 8.280 nan 0.000 0.450 253 K N 3.680 124.114 120.400 0.057 0.000 2.371 253 K HA 0.674 4.998 4.320 0.006 0.000 0.251 253 K C -1.200 175.284 176.600 -0.192 0.000 0.934 253 K CA -0.799 55.380 56.287 -0.181 0.000 0.798 253 K CB 2.712 34.972 32.500 -0.401 0.000 1.204 253 K HN 0.587 nan 8.250 nan 0.000 0.427 254 I N 3.568 123.957 120.570 -0.301 0.000 2.385 254 I HA 0.308 4.482 4.170 0.006 0.000 0.294 254 I C -0.365 175.606 176.117 -0.243 0.000 0.988 254 I CA -0.756 60.333 61.300 -0.351 0.000 1.265 254 I CB 0.730 38.326 38.000 -0.672 0.000 1.388 254 I HN 0.260 nan 8.210 nan 0.000 0.480 255 L N 6.173 127.307 121.223 -0.148 0.000 2.329 255 L HA 0.527 4.870 4.340 0.006 0.000 0.279 255 L C -0.251 176.584 176.870 -0.058 0.000 1.014 255 L CA -0.764 54.015 54.840 -0.103 0.000 0.814 255 L CB 1.765 43.777 42.059 -0.078 0.000 1.257 255 L HN 0.562 nan 8.230 nan 0.000 0.424 256 K N 4.120 124.458 120.400 -0.102 0.000 2.307 256 K HA 0.666 4.990 4.320 0.006 0.000 0.263 256 K C -1.343 175.087 176.600 -0.282 0.000 0.973 256 K CA -0.433 55.691 56.287 -0.271 0.000 0.846 256 K CB 1.269 33.706 32.500 -0.106 0.000 1.100 256 K HN 0.544 nan 8.250 nan 0.000 0.438 257 I N 3.696 124.038 120.570 -0.379 0.000 2.466 257 I HA 0.242 4.416 4.170 0.006 0.000 0.289 257 I C -0.764 175.184 176.117 -0.281 0.000 1.026 257 I CA -0.635 60.513 61.300 -0.254 0.000 1.078 257 I CB 2.102 39.995 38.000 -0.178 0.000 1.249 257 I HN 0.577 nan 8.210 nan 0.000 0.429 258 E N 6.478 126.533 120.200 -0.242 0.000 2.185 258 E HA 0.343 4.697 4.350 0.006 0.000 0.261 258 E C -0.886 175.510 176.600 -0.339 0.000 0.879 258 E CA -0.872 55.373 56.400 -0.258 0.000 0.756 258 E CB 1.428 31.008 29.700 -0.199 0.000 1.152 258 E HN 0.387 nan 8.360 nan 0.000 0.416 259 K N 1.717 121.794 120.400 -0.539 0.000 3.071 259 K HA -0.294 4.030 4.320 0.006 0.000 0.262 259 K C 0.686 176.839 176.600 -0.746 0.000 0.977 259 K CA 0.554 56.184 56.287 -1.095 0.000 0.721 259 K CB -1.682 30.350 32.500 -0.780 0.000 1.293 259 K HN 1.110 nan 8.250 nan 0.000 0.475 260 G N -0.337 108.227 108.800 -0.394 0.000 2.184 260 G HA2 -0.326 3.638 3.960 0.006 0.000 0.264 260 G HA3 -0.326 3.638 3.960 0.006 0.000 0.264 260 G C -0.119 174.718 174.900 -0.106 0.000 0.975 260 G CA 0.648 45.680 45.100 -0.113 0.000 0.642 260 G HN 0.254 nan 8.290 nan 0.000 0.536 261 K N 0.752 121.060 120.400 -0.153 0.000 2.213 261 K HA 0.538 4.861 4.320 0.006 0.000 0.270 261 K C 0.343 176.872 176.600 -0.119 0.000 1.002 261 K CA -0.727 55.491 56.287 -0.114 0.000 0.868 261 K CB 2.498 34.929 32.500 -0.115 0.000 1.093 261 K HN 0.066 nan 8.250 nan 0.000 0.454 262 V N 3.461 123.317 119.914 -0.096 0.000 2.450 262 V HA -0.040 4.084 4.120 0.006 0.000 0.281 262 V C 1.605 177.639 176.094 -0.099 0.000 1.019 262 V CA 0.535 62.774 62.300 -0.102 0.000 1.062 262 V CB 0.201 31.971 31.823 -0.088 0.000 0.979 262 V HN 0.937 nan 8.190 nan 0.000 0.477 263 T N 1.270 115.758 114.554 -0.110 0.000 3.001 263 T HA 0.297 4.651 4.350 0.006 0.000 0.251 263 T C 0.349 175.005 174.700 -0.074 0.000 1.040 263 T CA -0.089 61.958 62.100 -0.090 0.000 0.985 263 T CB 0.365 69.177 68.868 -0.094 0.000 1.011 263 T HN 0.514 nan 8.240 nan 0.000 0.509 264 K N 0.728 121.079 120.400 -0.080 0.000 2.587 264 K HA 0.513 4.837 4.320 0.006 0.000 0.276 264 K C -1.729 174.817 176.600 -0.089 0.000 0.956 264 K CA -0.446 55.801 56.287 -0.066 0.000 0.857 264 K CB 2.128 34.612 32.500 -0.027 0.000 1.431 264 K HN 0.267 nan 8.250 nan 0.000 0.420 265 S N 2.311 117.948 115.700 -0.106 0.000 2.596 265 S HA 0.768 5.241 4.470 0.006 0.000 0.270 265 S C -1.303 173.207 174.600 -0.149 0.000 1.155 265 S CA -0.848 57.261 58.200 -0.151 0.000 0.827 265 S CB 1.617 64.695 63.200 -0.203 0.000 1.130 265 S HN 0.621 nan 8.310 nan 0.000 0.467 266 I N 0.511 120.970 120.570 -0.184 0.000 2.775 266 I HA 0.458 4.632 4.170 0.006 0.000 0.295 266 I C -1.192 174.800 176.117 -0.209 0.000 1.287 266 I CA -0.391 60.824 61.300 -0.143 0.000 1.029 266 I CB 2.072 40.050 38.000 -0.036 0.000 1.282 266 I HN 1.000 nan 8.210 nan 0.000 0.426 267 E N 7.035 127.128 120.200 -0.178 0.000 2.249 267 E HA 0.406 4.760 4.350 0.006 0.000 0.280 267 E C -1.233 175.272 176.600 -0.158 0.000 1.016 267 E CA -0.646 55.640 56.400 -0.190 0.000 0.830 267 E CB 1.118 30.718 29.700 -0.166 0.000 1.081 267 E HN 0.545 nan 8.360 nan 0.000 0.395 268 L N 4.201 125.277 121.223 -0.245 0.000 2.410 268 L HA 0.101 4.444 4.340 0.006 0.000 0.273 268 L C 0.392 177.245 176.870 -0.028 0.000 1.144 268 L CA -0.263 54.368 54.840 -0.348 0.000 0.863 268 L CB 0.080 41.875 42.059 -0.441 0.000 1.140 268 L HN 0.567 nan 8.230 nan 0.000 0.463 269 N N 3.290 122.055 118.700 0.110 0.000 2.663 269 N HA 0.325 5.069 4.740 0.006 0.000 0.250 269 N C -0.327 175.245 175.510 0.104 0.000 1.129 269 N CA -0.046 53.083 53.050 0.131 0.000 0.995 269 N CB 0.633 39.212 38.487 0.153 0.000 1.324 269 N HN 0.669 nan 8.380 nan 0.000 0.512 270 A N 4.135 127.045 122.820 0.149 0.000 3.308 270 A HA 0.346 4.670 4.320 0.006 0.000 0.275 270 A C -2.523 175.329 177.584 0.447 0.000 0.950 270 A CA -1.050 51.082 52.037 0.160 0.000 0.987 270 A CB 0.228 19.296 19.000 0.114 0.000 1.146 270 A HN 0.445 nan 8.150 nan 0.000 0.488 271 P HA 0.047 nan 4.420 nan 0.000 0.265 271 P C 0.402 178.016 177.300 0.524 0.000 1.193 271 P CA 0.817 64.163 63.100 0.410 0.000 0.765 271 P CB 0.680 32.547 31.700 0.278 0.000 0.823 272 N N -0.076 118.974 118.700 0.583 0.000 2.972 272 N HA -0.212 4.532 4.740 0.006 0.000 0.225 272 N C -0.794 174.975 175.510 0.432 0.000 0.883 272 N CA 1.247 54.553 53.050 0.426 0.000 1.010 272 N CB -1.859 36.720 38.487 0.153 0.000 1.052 272 N HN 0.372 nan 8.380 nan 0.000 0.598 273 Y N 0.474 121.049 120.300 0.458 0.000 2.316 273 Y HA 0.515 5.069 4.550 0.006 0.000 0.324 273 Y C 0.913 177.103 175.900 0.484 0.000 1.267 273 Y CA -0.083 58.255 58.100 0.397 0.000 1.311 273 Y CB 0.922 39.536 38.460 0.258 0.000 1.267 273 Y HN 0.069 nan 8.280 nan 0.000 0.516 274 H N 1.842 121.037 119.070 0.209 0.000 2.840 274 H HA 0.297 4.857 4.556 0.006 0.000 0.340 274 H C -1.968 173.144 175.328 -0.361 0.000 1.004 274 H CA -0.699 55.415 56.048 0.110 0.000 1.288 274 H CB 0.965 30.930 29.762 0.339 0.000 1.607 274 H HN 0.666 nan 8.280 nan 0.000 0.522 275 Y N 2.980 122.792 120.300 -0.814 0.000 2.331 275 Y HA 0.303 4.857 4.550 0.006 0.000 0.334 275 Y C 0.013 175.737 175.900 -0.292 0.000 0.960 275 Y CA -0.518 57.272 58.100 -0.517 0.000 1.130 275 Y CB 1.642 39.731 38.460 -0.618 0.000 1.164 275 Y HN 0.510 nan 8.280 nan 0.000 0.458 276 E N 1.565 121.763 120.200 -0.003 0.000 2.393 276 E HA 0.329 4.683 4.350 0.006 0.000 0.273 276 E C -0.889 175.760 176.600 0.081 0.000 0.918 276 E CA -1.093 55.347 56.400 0.067 0.000 0.773 276 E CB 2.063 31.820 29.700 0.096 0.000 1.275 276 E HN 0.606 nan 8.360 nan 0.000 0.451 277 E N 0.025 120.283 120.200 0.097 0.000 2.252 277 E HA -0.211 4.143 4.350 0.006 0.000 0.218 277 E C -0.832 175.814 176.600 0.078 0.000 1.253 277 E CA -0.035 56.411 56.400 0.078 0.000 0.705 277 E CB -1.600 28.106 29.700 0.010 0.000 1.172 277 E HN 0.370 nan 8.360 nan 0.000 0.369 278 c N 0.815 119.480 118.600 0.108 0.000 2.662 278 c HA 0.207 4.780 4.570 0.006 0.000 0.420 278 c C 1.192 175.361 174.090 0.133 0.000 1.314 278 c CA -0.192 56.216 56.329 0.132 0.000 1.963 278 c CB 0.754 43.358 42.510 0.156 0.000 2.686 278 c HN 0.368 nan 8.230 nan 0.000 0.609 279 S N 1.647 117.440 115.700 0.155 0.000 2.520 279 S HA 0.388 4.862 4.470 0.006 0.000 0.324 279 S C -0.534 174.190 174.600 0.207 0.000 1.069 279 S CA -0.393 57.915 58.200 0.181 0.000 1.121 279 S CB 0.318 63.631 63.200 0.188 0.000 0.971 279 S HN 0.823 nan 8.310 nan 0.000 0.463 280 c N 4.349 123.072 118.600 0.205 0.000 2.379 280 c HA 0.785 5.359 4.570 0.006 0.000 0.323 280 c C -0.524 173.699 174.090 0.220 0.000 1.262 280 c CA -1.009 55.407 56.329 0.146 0.000 1.581 280 c CB -0.623 41.975 42.510 0.146 0.000 2.221 280 c HN 0.914 nan 8.230 nan 0.000 0.497 281 Y N 1.842 122.200 120.300 0.097 0.000 2.553 281 Y HA 0.811 5.364 4.550 0.006 0.000 0.347 281 Y C -3.024 172.903 175.900 0.045 0.000 1.019 281 Y CA -3.472 54.706 58.100 0.129 0.000 1.032 281 Y CB 0.659 39.257 38.460 0.231 0.000 1.284 281 Y HN 0.418 nan 8.280 nan 0.000 0.466 282 P HA 0.223 nan 4.420 nan 0.000 0.279 282 P C -1.201 176.179 177.300 0.132 0.000 1.239 282 P CA 0.194 63.327 63.100 0.055 0.000 0.789 282 P CB 1.698 33.461 31.700 0.105 0.000 0.933 283 D N 1.565 121.961 120.400 -0.007 0.000 2.738 283 D HA 0.142 4.786 4.640 0.006 0.000 0.218 283 D C -0.664 175.603 176.300 -0.055 0.000 1.345 283 D CA 0.026 54.037 54.000 0.018 0.000 0.943 283 D CB 0.365 41.208 40.800 0.072 0.000 1.514 283 D HN 0.376 nan 8.370 nan 0.000 0.585 284 T N 2.713 117.248 114.554 -0.033 0.000 3.882 284 T HA -0.047 4.307 4.350 0.006 0.000 0.366 284 T C 1.080 175.750 174.700 -0.049 0.000 0.760 284 T CA 1.682 63.758 62.100 -0.040 0.000 1.931 284 T CB -1.672 67.166 68.868 -0.050 0.000 1.807 284 T HN 1.323 nan 8.240 nan 0.000 0.790 285 G N -0.369 108.407 108.800 -0.040 0.000 2.184 285 G HA2 -0.311 3.653 3.960 0.006 0.000 0.264 285 G HA3 -0.311 3.653 3.960 0.006 0.000 0.264 285 G C 0.050 174.891 174.900 -0.098 0.000 0.975 285 G CA 0.997 46.073 45.100 -0.040 0.000 0.642 285 G HN 0.797 nan 8.290 nan 0.000 0.536 286 K N -1.270 119.033 120.400 -0.161 0.000 2.261 286 K HA 0.805 5.129 4.320 0.006 0.000 0.242 286 K C -0.749 175.604 176.600 -0.412 0.000 1.083 286 K CA -0.901 55.212 56.287 -0.290 0.000 0.880 286 K CB 2.524 34.871 32.500 -0.255 0.000 1.353 286 K HN 0.079 nan 8.250 nan 0.000 0.486 287 V N 1.492 120.986 119.914 -0.701 0.000 2.656 287 V HA 0.425 4.548 4.120 0.006 0.000 0.307 287 V C -1.117 174.467 176.094 -0.850 0.000 1.051 287 V CA -0.834 60.979 62.300 -0.812 0.000 0.893 287 V CB 1.708 32.908 31.823 -1.038 0.000 0.999 287 V HN 0.685 nan 8.190 nan 0.000 0.426 288 M N 5.049 124.168 119.600 -0.802 0.000 2.311 288 M HA 0.673 5.156 4.480 0.006 0.000 0.325 288 M C -1.214 174.822 176.300 -0.440 0.000 1.061 288 M CA -0.002 54.919 55.300 -0.631 0.000 0.957 288 M CB 1.240 33.361 32.600 -0.798 0.000 1.646 288 M HN 0.654 nan 8.290 nan 0.000 0.434 289 c N 3.878 122.452 118.600 -0.044 0.000 2.379 289 c HA 0.877 5.451 4.570 0.006 0.000 0.323 289 c C -0.648 173.614 174.090 0.286 0.000 1.262 289 c CA -0.990 55.419 56.329 0.134 0.000 1.581 289 c CB 1.248 43.879 42.510 0.202 0.000 2.221 289 c HN 0.695 nan 8.230 nan 0.000 0.497 290 V N 2.718 122.789 119.914 0.262 0.000 2.487 290 V HA 0.609 4.733 4.120 0.006 0.000 0.298 290 V C 0.039 176.232 176.094 0.165 0.000 1.028 290 V CA -0.129 62.328 62.300 0.262 0.000 0.860 290 V CB 1.276 33.250 31.823 0.253 0.000 0.991 290 V HN 1.152 nan 8.190 nan 0.000 0.427 291 c N 3.357 122.017 118.600 0.100 0.000 3.205 291 c HA 0.730 5.304 4.570 0.006 0.000 0.372 291 c C -0.000 174.073 174.090 -0.028 0.000 1.892 291 c CA -1.019 55.342 56.329 0.053 0.000 1.516 291 c CB 1.891 44.471 42.510 0.117 0.000 2.371 291 c HN 0.901 nan 8.230 nan 0.000 0.468 292 R N 1.295 121.779 120.500 -0.027 0.000 2.439 292 R HA 0.367 4.711 4.340 0.006 0.000 0.310 292 R C -1.683 174.634 176.300 0.028 0.000 0.955 292 R CA -0.033 56.063 56.100 -0.006 0.000 0.853 292 R CB 0.932 31.238 30.300 0.009 0.000 1.171 292 R HN 0.848 nan 8.270 nan 0.000 0.449 293 D N 3.374 123.808 120.400 0.057 0.000 2.380 293 D HA 0.050 4.694 4.640 0.006 0.000 0.230 293 D C -0.114 176.327 176.300 0.235 0.000 1.154 293 D CA -0.131 53.988 54.000 0.198 0.000 0.859 293 D CB 1.166 42.096 40.800 0.216 0.000 1.045 293 D HN 0.614 nan 8.370 nan 0.000 0.495 294 N N 3.211 122.137 118.700 0.377 0.000 2.353 294 N HA 0.019 4.763 4.740 0.006 0.000 0.185 294 N C 0.850 176.366 175.510 0.011 0.000 1.098 294 N CA 0.004 53.152 53.050 0.163 0.000 0.872 294 N CB 0.113 38.732 38.487 0.220 0.000 0.970 294 N HN 0.512 nan 8.380 nan 0.000 0.467 295 W N 0.959 122.030 121.300 -0.382 0.000 2.633 295 W HA 0.138 4.802 4.660 0.007 0.000 0.295 295 W C 0.549 176.948 176.519 -0.199 0.000 1.133 295 W CA 1.721 58.779 57.345 -0.479 0.000 1.490 295 W CB -0.432 28.534 29.460 -0.822 0.000 1.127 295 W HN 0.301 nan 8.180 nan 0.000 0.538 296 H N -2.298 116.658 119.070 -0.190 0.000 3.591 296 H HA 0.456 5.016 4.556 0.006 0.000 0.232 296 H C -0.141 174.984 175.328 -0.339 0.000 1.304 296 H CA -0.193 55.631 56.048 -0.374 0.000 1.112 296 H CB -0.486 28.832 29.762 -0.739 0.000 2.909 296 H HN 0.099 nan 8.280 nan 0.000 0.595 297 G N 0.554 109.353 108.800 -0.001 0.000 2.707 297 G HA2 0.344 4.308 3.960 0.006 0.000 0.299 297 G HA3 0.344 4.308 3.960 0.006 0.000 0.299 297 G C 0.424 175.288 174.900 -0.060 0.000 1.442 297 G CA -0.417 44.635 45.100 -0.081 0.000 1.009 297 G HN 0.258 nan 8.290 nan 0.000 0.515 298 S N 0.962 116.563 115.700 -0.166 0.000 2.524 298 S HA 0.076 4.550 4.470 0.006 0.000 0.215 298 S C 0.836 175.388 174.600 -0.079 0.000 0.986 298 S CA -0.349 57.752 58.200 -0.164 0.000 0.911 298 S CB -0.131 62.880 63.200 -0.316 0.000 0.805 298 S HN 0.659 nan 8.310 nan 0.000 0.501 299 N N 1.857 120.549 118.700 -0.013 0.000 2.458 299 N HA 0.301 5.044 4.740 0.006 0.000 0.271 299 N C -0.700 174.894 175.510 0.141 0.000 1.210 299 N CA -0.767 52.361 53.050 0.131 0.000 0.978 299 N CB 0.410 39.010 38.487 0.189 0.000 1.206 299 N HN 0.099 nan 8.380 nan 0.000 0.536 300 R N -0.027 120.519 120.500 0.076 0.000 2.346 300 R HA 0.419 4.763 4.340 0.006 0.000 0.311 300 R C -2.161 173.999 176.300 -0.233 0.000 0.983 300 R CA -1.594 54.483 56.100 -0.039 0.000 0.880 300 R CB 1.437 31.713 30.300 -0.040 0.000 1.100 300 R HN 0.562 nan 8.270 nan 0.000 0.453 301 P HA 0.103 nan 4.420 nan 0.000 0.274 301 P C -0.795 176.322 177.300 -0.305 0.000 1.237 301 P CA -0.136 62.289 63.100 -1.124 0.000 0.793 301 P CB 0.737 31.485 31.700 -1.588 0.000 0.977 302 W N 0.641 121.847 121.300 -0.157 0.000 3.031 302 W HA 0.671 5.335 4.660 0.006 0.000 0.337 302 W C -2.431 174.285 176.519 0.329 0.000 1.187 302 W CA -1.278 56.162 57.345 0.157 0.000 1.166 302 W CB 1.107 30.688 29.460 0.202 0.000 1.437 302 W HN 0.233 nan 8.180 nan 0.000 0.551 303 V N 2.675 122.968 119.914 0.631 0.000 2.733 303 V HA 0.624 4.747 4.120 0.006 0.000 0.306 303 V C -0.764 175.631 176.094 0.502 0.000 1.084 303 V CA -0.357 62.199 62.300 0.427 0.000 0.905 303 V CB 1.882 33.708 31.823 0.004 0.000 1.010 303 V HN 0.802 nan 8.190 nan 0.000 0.424 304 S N 6.178 122.195 115.700 0.529 0.000 2.568 304 S HA 0.990 5.464 4.470 0.006 0.000 0.293 304 S C -0.945 173.775 174.600 0.201 0.000 1.089 304 S CA -0.620 57.676 58.200 0.160 0.000 0.945 304 S CB 1.948 65.223 63.200 0.124 0.000 1.077 304 S HN 1.571 nan 8.310 nan 0.000 0.485 305 F N -1.136 118.812 119.950 -0.003 0.000 2.693 305 F HA 0.713 5.244 4.527 0.006 0.000 0.309 305 F C -0.900 174.810 175.800 -0.149 0.000 1.129 305 F CA -1.184 56.800 58.000 -0.027 0.000 0.948 305 F CB 0.243 39.236 39.000 -0.012 0.000 1.315 305 F HN 0.626 nan 8.300 nan 0.000 0.447 309 N N 1.534 120.311 118.700 0.128 0.000 2.336 309 N HA 0.199 4.943 4.740 0.006 0.000 0.189 309 N C 0.469 176.040 175.510 0.101 0.000 1.113 309 N CA 0.564 53.677 53.050 0.106 0.000 0.858 309 N CB 0.740 39.264 38.487 0.061 0.000 0.970 309 N HN 0.229 nan 8.380 nan 0.000 0.471 310 L N -0.085 121.216 121.223 0.130 0.000 4.560 310 L HA -0.191 4.153 4.340 0.006 0.000 0.415 310 L C -1.050 175.903 176.870 0.140 0.000 1.123 310 L CA 0.392 55.289 54.840 0.094 0.000 0.991 310 L CB -1.550 40.518 42.059 0.014 0.000 2.127 310 L HN 0.071 nan 8.230 nan 0.000 0.765 311 D N 1.321 121.784 120.400 0.105 0.000 2.412 311 D HA 0.311 4.955 4.640 0.006 0.000 0.257 311 D C 0.122 176.501 176.300 0.131 0.000 1.217 311 D CA 0.515 54.541 54.000 0.043 0.000 0.897 311 D CB 0.305 41.111 40.800 0.011 0.000 1.132 311 D HN 0.359 nan 8.370 nan 0.000 0.493 312 Y N -0.341 120.005 120.300 0.076 0.000 2.587 312 Y HA 0.627 5.181 4.550 0.007 0.000 0.337 312 Y C -0.304 175.660 175.900 0.108 0.000 1.065 312 Y CA -1.156 57.021 58.100 0.129 0.000 1.126 312 Y CB 1.212 39.724 38.460 0.087 0.000 1.279 312 Y HN 0.155 nan 8.280 nan 0.000 0.489 313 Q N 2.589 122.631 119.800 0.403 0.000 2.423 313 Q HA 0.723 5.067 4.340 0.006 0.000 0.278 313 Q C -1.168 174.973 176.000 0.235 0.000 1.097 313 Q CA -1.161 54.836 55.803 0.322 0.000 0.809 313 Q CB 3.468 32.444 28.738 0.396 0.000 1.391 313 Q HN 0.852 nan 8.270 nan 0.000 0.428 314 I N -2.835 117.674 120.570 -0.102 0.000 2.934 314 I HA 0.998 5.172 4.170 0.006 0.000 0.306 314 I C -0.379 175.225 176.117 -0.855 0.000 1.110 314 I CA -0.846 60.138 61.300 -0.526 0.000 1.019 314 I CB 2.465 40.223 38.000 -0.404 0.000 1.227 314 I HN 0.707 nan 8.210 nan 0.000 0.434 315 G N 1.893 109.980 108.800 -1.189 0.000 2.428 315 G HA2 0.517 4.481 3.960 0.006 0.000 0.304 315 G HA3 0.517 4.481 3.960 0.006 0.000 0.304 315 G C -2.541 171.933 174.900 -0.710 0.000 1.303 315 G CA -0.605 44.045 45.100 -0.749 0.000 0.825 315 G HN 0.594 nan 8.290 nan 0.000 0.484 316 Y N -0.570 119.519 120.300 -0.351 0.000 2.524 316 Y HA 0.603 5.157 4.550 0.006 0.000 0.344 316 Y C 0.858 176.733 175.900 -0.041 0.000 1.012 316 Y CA -0.762 57.220 58.100 -0.197 0.000 1.068 316 Y CB 1.925 40.239 38.460 -0.243 0.000 1.249 316 Y HN 0.424 nan 8.280 nan 0.000 0.468 317 I N 2.355 122.938 120.570 0.020 0.000 2.668 317 I HA -0.148 4.026 4.170 0.006 0.000 0.285 317 I C 0.478 176.528 176.117 -0.112 0.000 1.168 317 I CA 0.265 61.401 61.300 -0.274 0.000 1.424 317 I CB 0.405 38.226 38.000 -0.298 0.000 1.377 317 I HN 0.823 nan 8.210 nan 0.000 0.560 318 c N 3.501 122.013 118.600 -0.148 0.000 2.464 318 c HA -0.064 4.510 4.570 0.006 0.000 0.278 318 c C 1.801 175.845 174.090 -0.078 0.000 1.375 318 c CA 0.060 56.350 56.329 -0.066 0.000 1.761 318 c CB -0.830 41.654 42.510 -0.043 0.000 1.944 318 c HN 0.866 nan 8.230 nan 0.000 0.509 319 S N 0.891 116.521 115.700 -0.117 0.000 2.558 319 S HA 0.243 4.717 4.470 0.006 0.000 0.291 319 S C 1.298 175.727 174.600 -0.285 0.000 1.306 319 S CA 0.487 58.585 58.200 -0.169 0.000 1.056 319 S CB 0.671 63.767 63.200 -0.174 0.000 0.836 319 S HN 0.608 nan 8.310 nan 0.000 0.504 320 G N 3.070 111.642 108.800 -0.381 0.000 2.848 320 G HA2 0.117 4.081 3.960 0.006 0.000 0.208 320 G HA3 0.117 4.081 3.960 0.006 0.000 0.208 320 G C 0.158 174.455 174.900 -1.005 0.000 1.152 320 G CA -0.093 44.531 45.100 -0.793 0.000 0.789 320 G HN 0.654 nan 8.290 nan 0.000 0.531 321 V N 2.691 122.268 119.914 -0.562 0.000 2.326 321 V HA 0.238 4.362 4.120 0.006 0.000 0.249 321 V C -0.274 175.597 176.094 -0.371 0.000 1.114 321 V CA -0.896 61.153 62.300 -0.417 0.000 1.028 321 V CB -0.918 30.729 31.823 -0.292 0.000 1.170 321 V HN 0.117 nan 8.190 nan 0.000 0.494 322 F N 2.316 122.206 119.950 -0.101 0.000 2.471 322 F HA 0.442 4.972 4.527 0.006 0.000 0.353 322 F C 1.520 177.247 175.800 -0.122 0.000 1.113 322 F CA -0.068 57.873 58.000 -0.099 0.000 1.262 322 F CB 0.773 39.726 39.000 -0.078 0.000 1.146 322 F HN 0.414 nan 8.300 nan 0.000 0.578 323 G N 0.543 109.391 108.800 0.080 0.000 2.833 323 G HA2 -0.035 3.929 3.960 0.006 0.000 0.210 323 G HA3 -0.035 3.929 3.960 0.006 0.000 0.210 323 G C 0.233 175.107 174.900 -0.043 0.000 1.139 323 G CA 0.039 45.109 45.100 -0.050 0.000 0.771 323 G HN 0.518 nan 8.290 nan 0.000 0.535 324 D N 0.182 120.586 120.400 0.007 0.000 2.433 324 D HA 0.221 4.864 4.640 0.006 0.000 0.255 324 D C -0.577 175.733 176.300 0.017 0.000 1.226 324 D CA -0.452 53.552 54.000 0.005 0.000 1.015 324 D CB 0.760 41.565 40.800 0.009 0.000 1.091 324 D HN 0.070 nan 8.370 nan 0.000 0.527 325 N N 0.653 119.375 118.700 0.037 0.000 2.500 325 N HA 0.250 4.993 4.740 0.006 0.000 0.291 325 N C -2.990 172.558 175.510 0.064 0.000 1.092 325 N CA -1.305 51.779 53.050 0.056 0.000 0.890 325 N CB 2.466 41.007 38.487 0.090 0.000 1.466 325 N HN 0.113 nan 8.380 nan 0.000 0.507 326 P HA 0.353 nan 4.420 nan 0.000 0.277 326 P C -0.880 176.416 177.300 -0.007 0.000 1.271 326 P CA -0.116 63.000 63.100 0.026 0.000 0.795 326 P CB 1.319 33.031 31.700 0.020 0.000 1.101 327 R N -1.912 118.576 120.500 -0.020 0.000 2.728 327 R HA 0.632 4.975 4.340 0.006 0.000 0.274 327 R C -3.062 173.200 176.300 -0.064 0.000 1.030 327 R CA -1.978 54.080 56.100 -0.071 0.000 0.876 327 R CB 0.251 30.547 30.300 -0.006 0.000 1.259 327 R HN 0.151 nan 8.270 nan 0.000 0.468 328 P HA 0.149 nan 4.420 nan 0.000 0.279 328 P C -0.862 176.514 177.300 0.128 0.000 1.276 328 P CA -0.593 62.480 63.100 -0.045 0.000 0.801 328 P CB 0.401 32.011 31.700 -0.150 0.000 1.127 329 N N 0.614 119.383 118.700 0.117 0.000 2.416 329 N HA 0.013 4.757 4.740 0.006 0.000 0.246 329 N C -0.037 175.612 175.510 0.232 0.000 1.260 329 N CA 0.367 53.498 53.050 0.135 0.000 0.897 329 N CB -0.264 38.269 38.487 0.077 0.000 1.110 329 N HN 0.370 nan 8.380 nan 0.000 0.439 330 D N -0.149 120.321 120.400 0.117 0.000 2.449 330 D HA 0.351 4.995 4.640 0.006 0.000 0.236 330 D C 0.941 177.230 176.300 -0.018 0.000 1.149 330 D CA 0.636 54.605 54.000 -0.051 0.000 0.878 330 D CB 0.702 41.444 40.800 -0.096 0.000 1.198 330 D HN 0.612 nan 8.370 nan 0.000 0.446 331 G N 0.072 108.783 108.800 -0.147 0.000 2.529 331 G HA2 0.249 4.213 3.960 0.006 0.000 0.238 331 G HA3 0.249 4.213 3.960 0.006 0.000 0.238 331 G C -1.075 173.774 174.900 -0.084 0.000 1.207 331 G CA -0.604 44.486 45.100 -0.016 0.000 0.928 331 G HN 0.347 nan 8.290 nan 0.000 0.495 332 T N 1.132 115.702 114.554 0.027 0.000 2.779 332 T HA 0.529 4.883 4.350 0.006 0.000 0.296 332 T C 0.883 175.642 174.700 0.098 0.000 0.938 332 T CA 0.591 62.696 62.100 0.009 0.000 1.119 332 T CB 0.911 69.786 68.868 0.012 0.000 0.891 332 T HN 0.900 nan 8.240 nan 0.000 0.526 340 P HA 0.301 nan 4.420 nan 0.000 0.271 340 P C -0.016 176.840 177.300 -0.739 0.000 1.226 340 P CA -0.003 62.283 63.100 -1.356 0.000 0.765 340 P CB 1.302 32.264 31.700 -1.229 0.000 0.835 341 V N 4.117 123.718 119.914 -0.520 0.000 2.389 341 V HA -0.002 4.122 4.120 0.006 0.000 0.264 341 V C 1.965 177.815 176.094 -0.405 0.000 1.049 341 V CA 0.549 62.601 62.300 -0.413 0.000 0.932 341 V CB 0.238 31.811 31.823 -0.416 0.000 1.011 341 V HN 0.679 nan 8.190 nan 0.000 0.475 342 S N 2.837 118.308 115.700 -0.380 0.000 2.428 342 S HA -0.058 4.416 4.470 0.006 0.000 0.230 342 S C 1.289 175.742 174.600 -0.245 0.000 1.014 342 S CA 0.695 58.700 58.200 -0.324 0.000 0.957 342 S CB -0.073 62.939 63.200 -0.313 0.000 0.784 342 S HN 0.652 nan 8.310 nan 0.000 0.499 343 S N 2.484 118.027 115.700 -0.262 0.000 2.525 343 S HA 0.120 4.594 4.470 0.006 0.000 0.285 343 S C 0.502 174.968 174.600 -0.223 0.000 1.283 343 S CA -0.166 57.902 58.200 -0.220 0.000 1.072 343 S CB -0.803 62.259 63.200 -0.229 0.000 0.867 343 S HN 0.561 nan 8.310 nan 0.000 0.492 344 N N 2.545 121.158 118.700 -0.145 0.000 2.693 344 N HA -0.178 4.566 4.740 0.006 0.000 0.249 344 N C 0.883 176.331 175.510 -0.104 0.000 1.119 344 N CA 0.892 53.877 53.050 -0.108 0.000 0.717 344 N CB -1.482 36.941 38.487 -0.107 0.000 1.071 344 N HN 0.784 nan 8.380 nan 0.000 0.555 345 G N -0.146 108.586 108.800 -0.113 0.000 2.408 345 G HA2 0.211 4.175 3.960 0.006 0.000 0.215 345 G HA3 0.211 4.175 3.960 0.006 0.000 0.215 345 G C 0.769 175.656 174.900 -0.022 0.000 1.156 345 G CA 0.830 45.874 45.100 -0.093 0.000 0.793 345 G HN 0.622 nan 8.290 nan 0.000 0.535 346 A N 0.088 122.906 122.820 -0.004 0.000 2.466 346 A HA 0.457 4.781 4.320 0.006 0.000 0.238 346 A C 0.673 178.276 177.584 0.032 0.000 1.074 346 A CA 0.462 52.517 52.037 0.031 0.000 0.774 346 A CB -0.379 18.643 19.000 0.037 0.000 1.015 346 A HN 0.709 nan 8.150 nan 0.000 0.498 347 N N -1.431 117.299 118.700 0.049 0.000 6.799 347 N HA 0.065 4.809 4.740 0.006 0.000 0.418 347 N C 0.040 175.592 175.510 0.071 0.000 0.942 347 N CA 1.180 54.268 53.050 0.063 0.000 1.476 347 N CB -0.846 37.675 38.487 0.056 0.000 0.802 347 N HN 1.856 nan 8.380 nan 0.000 0.350 348 G N -1.143 107.709 108.800 0.086 0.000 2.336 348 G HA2 0.539 4.503 3.960 0.006 0.000 0.286 348 G HA3 0.539 4.503 3.960 0.006 0.000 0.286 348 G C -1.997 172.964 174.900 0.102 0.000 1.269 348 G CA -0.284 44.864 45.100 0.080 0.000 0.873 348 G HN 0.787 nan 8.290 nan 0.000 0.494 349 I N -0.022 120.586 120.570 0.063 0.000 2.775 349 I HA 0.497 4.671 4.170 0.006 0.000 0.295 349 I C -0.276 175.760 176.117 -0.134 0.000 1.287 349 I CA -0.933 60.397 61.300 0.049 0.000 1.029 349 I CB 2.131 40.222 38.000 0.152 0.000 1.282 349 I HN 0.652 nan 8.210 nan 0.000 0.426 350 K N 4.689 124.769 120.400 -0.533 0.000 2.451 350 K HA 0.485 4.808 4.320 0.006 0.000 0.280 350 K C -0.315 176.180 176.600 -0.175 0.000 1.020 350 K CA 0.498 56.491 56.287 -0.490 0.000 1.008 350 K CB 0.636 32.571 32.500 -0.942 0.000 0.917 350 K HN 0.814 nan 8.250 nan 0.000 0.478 351 G N 2.507 111.273 108.800 -0.057 0.000 2.782 351 G HA2 0.643 4.607 3.960 0.006 0.000 0.304 351 G HA3 0.643 4.607 3.960 0.006 0.000 0.304 351 G C -1.623 173.332 174.900 0.092 0.000 1.315 351 G CA -0.848 44.272 45.100 0.033 0.000 0.791 351 G HN 0.633 nan 8.290 nan 0.000 0.519 352 F N -1.913 117.975 119.950 -0.104 0.000 2.711 352 F HA 0.903 5.434 4.527 0.006 0.000 0.313 352 F C -0.585 175.132 175.800 -0.138 0.000 1.141 352 F CA -1.407 56.509 58.000 -0.140 0.000 0.941 352 F CB 1.582 40.431 39.000 -0.253 0.000 1.349 352 F HN 0.612 nan 8.300 nan 0.000 0.464 353 S N 0.068 115.664 115.700 -0.174 0.000 2.565 353 S HA 0.716 5.190 4.470 0.006 0.000 0.269 353 S C -2.038 172.563 174.600 0.002 0.000 1.153 353 S CA -0.638 57.485 58.200 -0.129 0.000 0.835 353 S CB 1.627 64.871 63.200 0.073 0.000 1.122 353 S HN 0.533 nan 8.310 nan 0.000 0.462 354 F N 1.704 121.899 119.950 0.409 0.000 2.467 354 F HA 0.551 5.081 4.527 0.006 0.000 0.336 354 F C 0.489 176.455 175.800 0.277 0.000 1.123 354 F CA -0.676 57.481 58.000 0.261 0.000 0.964 354 F CB 1.331 40.479 39.000 0.248 0.000 1.136 354 F HN 0.360 nan 8.300 nan 0.000 0.447 355 R N 2.985 123.546 120.500 0.102 0.000 2.308 355 R HA 0.386 4.730 4.340 0.006 0.000 0.305 355 R C -1.907 174.301 176.300 -0.153 0.000 1.053 355 R CA -0.323 55.612 56.100 -0.274 0.000 0.957 355 R CB 0.531 30.059 30.300 -1.287 0.000 1.022 355 R HN 0.684 nan 8.270 nan 0.000 0.461 356 Y N 5.162 125.529 120.300 0.111 0.000 2.363 356 Y HA 0.187 4.741 4.550 0.006 0.000 0.325 356 Y C 0.115 176.078 175.900 0.105 0.000 0.984 356 Y CA -0.355 57.836 58.100 0.152 0.000 1.248 356 Y CB 1.120 39.769 38.460 0.315 0.000 1.116 356 Y HN 0.901 nan 8.280 nan 0.000 0.470 357 D N 0.620 121.070 120.400 0.084 0.000 3.798 357 D HA -0.341 4.303 4.640 0.006 0.000 0.150 357 D C 0.159 176.461 176.300 0.003 0.000 0.953 357 D CA 1.465 55.495 54.000 0.049 0.000 1.089 357 D CB -0.424 40.455 40.800 0.131 0.000 0.535 357 D HN 0.594 nan 8.370 nan 0.000 0.563 358 N N 1.104 119.844 118.700 0.068 0.000 2.336 358 N HA 0.346 5.090 4.740 0.006 0.000 0.189 358 N C 0.595 176.170 175.510 0.108 0.000 1.113 358 N CA 0.751 53.860 53.050 0.099 0.000 0.858 358 N CB 0.655 39.194 38.487 0.086 0.000 0.970 358 N HN 0.407 nan 8.380 nan 0.000 0.471 359 G N -0.585 108.268 108.800 0.087 0.000 2.511 359 G HA2 0.597 4.561 3.960 0.006 0.000 0.316 359 G HA3 0.597 4.561 3.960 0.006 0.000 0.316 359 G C -1.189 173.766 174.900 0.093 0.000 1.210 359 G CA -0.400 44.622 45.100 -0.129 0.000 0.969 359 G HN 0.044 nan 8.290 nan 0.000 0.492 360 V N -0.369 119.481 119.914 -0.107 0.000 2.777 360 V HA 0.547 4.671 4.120 0.006 0.000 0.306 360 V C -1.836 174.456 176.094 0.330 0.000 1.112 360 V CA -1.079 61.410 62.300 0.315 0.000 0.917 360 V CB 1.805 33.851 31.823 0.371 0.000 1.018 360 V HN 0.756 nan 8.190 nan 0.000 0.426 361 W N 6.537 128.237 121.300 0.667 0.000 2.332 361 W HA 0.661 5.324 4.660 0.006 0.000 0.306 361 W C -0.017 176.630 176.519 0.212 0.000 1.149 361 W CA -0.289 57.395 57.345 0.564 0.000 1.271 361 W CB 1.271 31.206 29.460 0.791 0.000 1.243 361 W HN 0.404 nan 8.180 nan 0.000 0.459 362 I N 4.058 124.762 120.570 0.224 0.000 2.354 362 I HA 0.437 4.611 4.170 0.006 0.000 0.292 362 I C 0.855 176.753 176.117 -0.365 0.000 0.989 362 I CA -0.578 60.637 61.300 -0.142 0.000 1.188 362 I CB 1.090 38.981 38.000 -0.181 0.000 1.342 362 I HN 0.438 nan 8.210 nan 0.000 0.457 363 G N 6.023 114.337 108.800 -0.811 0.000 2.348 363 G HA2 0.763 4.727 3.960 0.006 0.000 0.312 363 G HA3 0.763 4.727 3.960 0.006 0.000 0.312 363 G C -0.729 173.614 174.900 -0.928 0.000 1.126 363 G CA -0.504 44.016 45.100 -0.966 0.000 0.865 363 G HN 0.766 nan 8.290 nan 0.000 0.474 364 R N -0.108 119.656 120.500 -1.226 0.000 2.716 364 R HA 0.634 4.978 4.340 0.006 0.000 0.271 364 R C -0.137 175.700 176.300 -0.771 0.000 1.028 364 R CA -0.823 54.822 56.100 -0.758 0.000 0.883 364 R CB 0.408 30.461 30.300 -0.412 0.000 1.250 364 R HN 0.585 nan 8.270 nan 0.000 0.465 365 T N -0.799 113.609 114.554 -0.242 0.000 2.855 365 T HA 0.134 4.488 4.350 0.006 0.000 0.314 365 T C 0.702 175.350 174.700 -0.086 0.000 1.077 365 T CA -0.377 61.707 62.100 -0.027 0.000 1.095 365 T CB 0.928 69.861 68.868 0.108 0.000 0.987 365 T HN 0.702 nan 8.240 nan 0.000 0.546 366 K N 0.492 120.885 120.400 -0.013 0.000 2.116 366 K HA 0.065 4.389 4.320 0.006 0.000 0.203 366 K C 1.442 178.040 176.600 -0.003 0.000 1.052 366 K CA 0.393 56.666 56.287 -0.024 0.000 0.952 366 K CB -0.013 32.489 32.500 0.003 0.000 0.729 366 K HN 0.609 nan 8.250 nan 0.000 0.446 367 S N 0.497 116.212 115.700 0.025 0.000 2.580 367 S HA 0.022 4.496 4.470 0.006 0.000 0.274 367 S C 1.160 175.782 174.600 0.038 0.000 1.329 367 S CA -0.427 57.793 58.200 0.033 0.000 1.036 367 S CB 1.217 64.448 63.200 0.051 0.000 0.919 367 S HN 0.368 nan 8.310 nan 0.000 0.515 368 T N 0.398 114.973 114.554 0.035 0.000 3.081 368 T HA 0.050 4.404 4.350 0.006 0.000 0.255 368 T C 1.383 176.109 174.700 0.042 0.000 1.113 368 T CA 0.812 62.934 62.100 0.037 0.000 1.082 368 T CB -0.224 68.665 68.868 0.035 0.000 0.939 368 T HN 0.608 nan 8.240 nan 0.000 0.506 369 S N -0.513 115.219 115.700 0.054 0.000 2.554 369 S HA 0.394 4.868 4.470 0.006 0.000 0.227 369 S C 0.684 175.340 174.600 0.093 0.000 1.050 369 S CA -0.325 57.912 58.200 0.061 0.000 0.927 369 S CB 0.277 63.507 63.200 0.050 0.000 0.859 369 S HN 0.377 nan 8.310 nan 0.000 0.494 370 S N 0.741 116.514 115.700 0.121 0.000 2.600 370 S HA 0.549 5.023 4.470 0.006 0.000 0.300 370 S C -0.806 173.930 174.600 0.226 0.000 1.087 370 S CA -0.864 57.452 58.200 0.193 0.000 0.965 370 S CB 1.276 64.611 63.200 0.225 0.000 1.089 370 S HN 0.344 nan 8.310 nan 0.000 0.496 371 R N 2.361 123.049 120.500 0.312 0.000 4.138 371 R HA 0.319 4.663 4.340 0.006 0.000 0.206 371 R C -0.739 175.815 176.300 0.423 0.000 1.667 371 R CA -0.028 56.269 56.100 0.330 0.000 1.481 371 R CB -0.041 30.438 30.300 0.298 0.000 1.388 371 R HN 0.337 nan 8.270 nan 0.000 0.776 372 S N 0.350 116.216 115.700 0.277 0.000 2.557 372 S HA 0.702 5.176 4.470 0.006 0.000 0.291 372 S C -0.022 174.655 174.600 0.128 0.000 1.116 372 S CA -0.424 57.867 58.200 0.153 0.000 0.992 372 S CB 2.180 65.365 63.200 -0.026 0.000 1.028 372 S HN 0.782 nan 8.310 nan 0.000 0.484 373 G N 1.476 110.357 108.800 0.135 0.000 2.814 373 G HA2 0.028 3.992 3.960 0.006 0.000 0.677 373 G HA3 0.028 3.992 3.960 0.006 0.000 0.677 373 G C -1.218 173.861 174.900 0.298 0.000 1.429 373 G CA -0.544 44.650 45.100 0.157 0.000 0.868 373 G HN 0.858 nan 8.290 nan 0.000 0.553 374 F N 0.697 120.703 119.950 0.093 0.000 2.650 374 F HA 0.629 5.160 4.527 0.006 0.000 0.310 374 F C -0.472 175.363 175.800 0.058 0.000 1.112 374 F CA 0.046 58.097 58.000 0.086 0.000 0.986 374 F CB 1.843 40.935 39.000 0.154 0.000 1.285 374 F HN 1.046 nan 8.300 nan 0.000 0.440 375 E N 4.992 124.954 120.200 -0.398 0.000 2.392 375 E HA 0.513 4.867 4.350 0.006 0.000 0.279 375 E C -1.917 174.460 176.600 -0.372 0.000 0.964 375 E CA -1.202 55.078 56.400 -0.200 0.000 0.777 375 E CB 2.357 31.971 29.700 -0.143 0.000 1.249 375 E HN 0.372 nan 8.360 nan 0.000 0.449 376 M N 2.412 121.940 119.600 -0.120 0.000 2.268 376 M HA 0.500 4.984 4.480 0.006 0.000 0.344 376 M C -0.696 175.736 176.300 0.220 0.000 1.106 376 M CA -0.657 54.625 55.300 -0.031 0.000 1.010 376 M CB 0.809 33.387 32.600 -0.037 0.000 1.649 376 M HN 0.611 nan 8.290 nan 0.000 0.443 377 I N 2.321 122.988 120.570 0.161 0.000 2.466 377 I HA 0.330 4.504 4.170 0.006 0.000 0.289 377 I C -0.924 175.169 176.117 -0.040 0.000 1.026 377 I CA -0.572 60.707 61.300 -0.034 0.000 1.078 377 I CB 2.155 39.889 38.000 -0.444 0.000 1.249 377 I HN 0.717 nan 8.210 nan 0.000 0.429 378 W N 7.691 128.656 121.300 -0.558 0.000 2.308 378 W HA 0.288 4.952 4.660 0.006 0.000 0.311 378 W C -1.127 175.164 176.519 -0.380 0.000 1.088 378 W CA -0.282 56.476 57.345 -0.978 0.000 1.309 378 W CB 1.174 29.739 29.460 -1.492 0.000 1.229 378 W HN 0.471 nan 8.180 nan 0.000 0.427 379 D N 9.172 129.028 120.400 -0.907 0.000 2.461 379 D HA 0.189 4.833 4.640 0.006 0.000 0.240 379 D C -1.344 174.237 176.300 -1.198 0.000 1.094 379 D CA -2.462 51.083 54.000 -0.757 0.000 0.868 379 D CB 1.874 42.455 40.800 -0.366 0.000 1.062 379 D HN 0.184 nan 8.370 nan 0.000 0.530 380 P HA -0.070 nan 4.420 nan 0.000 0.230 380 P C 0.291 177.324 177.300 -0.444 0.000 1.158 380 P CA 0.631 63.113 63.100 -1.031 0.000 0.769 380 P CB 0.283 31.729 31.700 -0.423 0.000 0.807 381 N N -1.564 116.936 118.700 -0.333 0.000 2.241 381 N HA 0.089 4.833 4.740 0.006 0.000 0.238 381 N C 1.413 176.863 175.510 -0.100 0.000 1.244 381 N CA -0.110 52.852 53.050 -0.147 0.000 0.880 381 N CB -0.995 37.433 38.487 -0.097 0.000 1.179 381 N HN -0.083 nan 8.380 nan 0.000 0.513 382 G N -0.780 107.927 108.800 -0.155 0.000 2.650 382 G HA2 -0.144 3.820 3.960 0.006 0.000 0.214 382 G HA3 -0.144 3.820 3.960 0.006 0.000 0.214 382 G C 0.742 175.650 174.900 0.013 0.000 1.136 382 G CA -0.160 44.879 45.100 -0.102 0.000 0.789 382 G HN 0.375 nan 8.290 nan 0.000 0.536 383 W N 1.878 123.121 121.300 -0.094 0.000 2.443 383 W HA -0.094 4.570 4.660 0.006 0.000 0.296 383 W C 2.064 178.589 176.519 0.010 0.000 1.202 383 W CA 1.933 59.248 57.345 -0.049 0.000 1.312 383 W CB 0.075 29.488 29.460 -0.078 0.000 1.120 383 W HN 0.294 nan 8.180 nan 0.000 0.536 384 T N -2.500 112.154 114.554 0.168 0.000 2.985 384 T HA 0.126 4.480 4.350 0.006 0.000 0.254 384 T C 0.139 174.867 174.700 0.047 0.000 1.021 384 T CA -0.007 62.164 62.100 0.119 0.000 0.957 384 T CB 0.421 69.388 68.868 0.166 0.000 1.047 384 T HN -0.232 nan 8.240 nan 0.000 0.511 385 E N 2.009 122.215 120.200 0.009 0.000 2.227 385 E HA 0.398 4.752 4.350 0.006 0.000 0.268 385 E C 0.354 176.925 176.600 -0.049 0.000 0.907 385 E CA -0.422 55.967 56.400 -0.018 0.000 0.786 385 E CB 1.791 31.473 29.700 -0.029 0.000 1.191 385 E HN 0.318 nan 8.360 nan 0.000 0.411 386 T N -2.905 111.620 114.554 -0.050 0.000 3.086 386 T HA 0.036 4.389 4.350 0.006 0.000 0.250 386 T C 0.301 174.945 174.700 -0.092 0.000 1.074 386 T CA -0.345 61.715 62.100 -0.066 0.000 0.988 386 T CB -0.441 68.403 68.868 -0.041 0.000 0.988 386 T HN 0.432 nan 8.240 nan 0.000 0.530 387 D N 1.759 122.105 120.400 -0.090 0.000 2.361 387 D HA 0.200 4.844 4.640 0.006 0.000 0.239 387 D C 1.016 177.236 176.300 -0.134 0.000 1.200 387 D CA -0.202 53.739 54.000 -0.099 0.000 0.915 387 D CB 0.731 41.480 40.800 -0.085 0.000 1.170 387 D HN 0.166 nan 8.370 nan 0.000 0.444 388 S N -0.713 114.910 115.700 -0.128 0.000 2.597 388 S HA 0.165 4.639 4.470 0.006 0.000 0.224 388 S C 0.150 174.722 174.600 -0.045 0.000 0.955 388 S CA -0.810 57.312 58.200 -0.130 0.000 0.933 388 S CB -0.352 62.765 63.200 -0.137 0.000 0.788 388 S HN 0.326 nan 8.310 nan 0.000 0.488 389 S N 2.304 117.954 115.700 -0.084 0.000 2.565 389 S HA 0.703 5.177 4.470 0.006 0.000 0.274 389 S C -0.382 174.182 174.600 -0.060 0.000 1.309 389 S CA -0.634 57.485 58.200 -0.134 0.000 1.043 389 S CB 0.236 63.344 63.200 -0.153 0.000 0.939 389 S HN 0.617 nan 8.310 nan 0.000 0.504 390 F N -0.834 119.015 119.950 -0.169 0.000 2.685 390 F HA 0.698 5.229 4.527 0.007 0.000 0.315 390 F C 0.603 176.311 175.800 -0.153 0.000 1.126 390 F CA -0.919 56.954 58.000 -0.212 0.000 0.950 390 F CB 0.964 39.841 39.000 -0.206 0.000 1.360 390 F HN 0.448 nan 8.300 nan 0.000 0.469 391 S N -0.648 115.097 115.700 0.076 0.000 2.575 391 S HA 0.545 5.019 4.470 0.006 0.000 0.230 391 S C -0.149 174.566 174.600 0.192 0.000 1.062 391 S CA 0.358 58.586 58.200 0.046 0.000 0.913 391 S CB 0.269 63.496 63.200 0.046 0.000 0.837 391 S HN 0.535 nan 8.310 nan 0.000 0.487 395 Q N 3.711 123.694 119.800 0.306 0.000 2.327 395 Q HA 0.263 4.607 4.340 0.006 0.000 0.270 395 Q C -1.152 174.994 176.000 0.243 0.000 1.022 395 Q CA -0.813 55.176 55.803 0.310 0.000 0.773 395 Q CB 1.475 30.464 28.738 0.418 0.000 1.251 395 Q HN 0.504 nan 8.270 nan 0.000 0.457 396 D N 4.269 124.812 120.400 0.239 0.000 2.382 396 D HA 0.086 4.730 4.640 0.006 0.000 0.245 396 D C 0.650 177.148 176.300 0.329 0.000 1.120 396 D CA 0.115 54.251 54.000 0.227 0.000 0.890 396 D CB 1.208 42.127 40.800 0.198 0.000 1.201 396 D HN 0.530 nan 8.370 nan 0.000 0.433 397 I N 0.357 121.130 120.570 0.338 0.000 4.046 397 I HA 0.059 4.233 4.170 0.006 0.000 0.285 397 I C 0.289 176.712 176.117 0.511 0.000 1.183 397 I CA 0.482 62.065 61.300 0.473 0.000 1.337 397 I CB 0.382 38.624 38.000 0.403 0.000 1.478 397 I HN 0.071 nan 8.210 nan 0.000 0.452 398 V N 1.472 121.608 119.914 0.370 0.000 2.686 398 V HA 0.687 4.811 4.120 0.006 0.000 0.306 398 V C 0.065 176.248 176.094 0.149 0.000 1.065 398 V CA -1.176 61.283 62.300 0.264 0.000 0.894 398 V CB 1.877 33.883 31.823 0.304 0.000 1.004 398 V HN 0.253 nan 8.190 nan 0.000 0.424 399 A N 3.480 126.329 122.820 0.049 0.000 2.466 399 A HA 0.420 4.744 4.320 0.006 0.000 0.238 399 A C 1.169 178.749 177.584 -0.007 0.000 1.074 399 A CA 0.093 52.133 52.037 0.004 0.000 0.774 399 A CB 0.077 19.044 19.000 -0.055 0.000 1.015 399 A HN 1.024 nan 8.150 nan 0.000 0.498 400 I N 1.103 121.662 120.570 -0.019 0.000 2.756 400 I HA -0.161 4.012 4.170 0.006 0.000 0.262 400 I C 2.140 178.182 176.117 -0.126 0.000 1.225 400 I CA 1.859 63.133 61.300 -0.043 0.000 1.472 400 I CB 0.025 38.008 38.000 -0.027 0.000 1.094 400 I HN 0.841 nan 8.210 nan 0.000 0.454 401 T N -2.782 111.691 114.554 -0.136 0.000 3.148 401 T HA 0.075 4.428 4.350 0.006 0.000 0.253 401 T C 0.525 175.038 174.700 -0.310 0.000 1.134 401 T CA -0.054 61.922 62.100 -0.208 0.000 1.051 401 T CB -0.319 68.465 68.868 -0.140 0.000 0.959 401 T HN 0.214 nan 8.240 nan 0.000 0.525 402 D N 0.080 120.326 120.400 -0.256 0.000 2.340 402 D HA 0.283 4.927 4.640 0.006 0.000 0.240 402 D C -0.853 175.317 176.300 -0.217 0.000 1.001 402 D CA -0.688 53.155 54.000 -0.262 0.000 0.888 402 D CB 1.405 42.164 40.800 -0.069 0.000 1.310 402 D HN 0.356 nan 8.370 nan 0.000 0.474 403 W N 1.273 122.623 121.300 0.083 0.000 2.218 403 W HA 0.171 4.835 4.660 0.007 0.000 0.326 403 W C 1.398 177.998 176.519 0.137 0.000 1.276 403 W CA -0.294 57.110 57.345 0.098 0.000 1.210 403 W CB 0.783 30.288 29.460 0.076 0.000 1.143 403 W HN 0.309 nan 8.180 nan 0.000 0.563 404 S N 1.830 117.792 115.700 0.436 0.000 4.225 404 S HA 0.977 5.451 4.470 0.006 0.000 0.215 404 S C 0.279 175.082 174.600 0.339 0.000 1.051 404 S CA -0.091 58.321 58.200 0.354 0.000 1.729 404 S CB 1.187 64.615 63.200 0.380 0.000 0.892 404 S HN 0.974 nan 8.310 nan 0.000 0.720 405 G N -0.763 108.243 108.800 0.344 0.000 2.398 405 G HA2 0.312 4.276 3.960 0.006 0.000 0.251 405 G HA3 0.312 4.276 3.960 0.006 0.000 0.251 405 G C -1.697 173.484 174.900 0.468 0.000 1.277 405 G CA -0.797 44.522 45.100 0.364 0.000 0.927 405 G HN 0.545 nan 8.290 nan 0.000 0.477 406 Y N 1.454 121.918 120.300 0.274 0.000 2.652 406 Y HA 0.455 5.009 4.550 0.007 0.000 0.344 406 Y C 1.369 177.346 175.900 0.129 0.000 1.254 406 Y CA 0.016 58.281 58.100 0.275 0.000 1.480 406 Y CB 0.820 39.543 38.460 0.438 0.000 1.345 406 Y HN 0.895 nan 8.280 nan 0.000 0.617 407 S N -0.078 115.596 115.700 -0.044 0.000 2.579 407 S HA 0.948 5.422 4.470 0.006 0.000 0.272 407 S C -0.517 173.590 174.600 -0.822 0.000 1.141 407 S CA -0.391 57.478 58.200 -0.550 0.000 0.843 407 S CB 2.194 65.391 63.200 -0.005 0.000 1.122 407 S HN 1.034 nan 8.310 nan 0.000 0.468 408 G N 0.414 108.322 108.800 -1.487 0.000 2.677 408 G HA2 0.616 4.580 3.960 0.006 0.000 0.291 408 G HA3 0.616 4.580 3.960 0.006 0.000 0.291 408 G C -0.791 173.628 174.900 -0.800 0.000 1.435 408 G CA -0.316 44.288 45.100 -0.828 0.000 0.826 408 G HN 1.380 nan 8.290 nan 0.000 0.491 409 S N -0.853 114.672 115.700 -0.291 0.000 2.601 409 S HA 0.839 5.313 4.470 0.006 0.000 0.271 409 S C -0.443 174.402 174.600 0.408 0.000 1.305 409 S CA -0.437 57.698 58.200 -0.109 0.000 1.022 409 S CB 0.930 64.097 63.200 -0.056 0.000 0.940 409 S HN 1.592 nan 8.310 nan 0.000 0.525 410 F N -0.237 119.893 119.950 0.300 0.000 2.645 410 F HA 0.796 5.327 4.527 0.007 0.000 0.310 410 F C -0.421 175.542 175.800 0.271 0.000 1.102 410 F CA -1.195 57.007 58.000 0.336 0.000 0.952 410 F CB 0.604 39.837 39.000 0.387 0.000 1.326 410 F HN 0.592 nan 8.300 nan 0.000 0.456 411 V N 0.302 120.400 119.914 0.306 0.000 6.168 411 V HA 0.722 4.846 4.120 0.006 0.000 0.275 411 V C 0.563 176.751 176.094 0.156 0.000 1.598 411 V CA 0.141 62.505 62.300 0.106 0.000 0.646 411 V CB 0.426 32.341 31.823 0.154 0.000 1.463 411 V HN 1.824 nan 8.190 nan 0.000 0.394 412 L N -1.658 119.602 121.223 0.061 0.000 2.057 412 L HA -0.196 4.148 4.340 0.006 0.000 0.489 412 L C 1.497 178.383 176.870 0.028 0.000 0.713 412 L CA 3.120 57.985 54.840 0.042 0.000 3.232 412 L CB -1.965 40.122 42.059 0.047 0.000 0.661 412 L HN 1.230 nan 8.230 nan 0.000 0.772 413 T N -2.609 111.959 114.554 0.023 0.000 3.051 413 T HA 0.509 4.862 4.350 0.006 0.000 0.255 413 T C 1.813 176.517 174.700 0.007 0.000 1.085 413 T CA 1.152 63.258 62.100 0.011 0.000 1.109 413 T CB 0.354 69.219 68.868 -0.005 0.000 0.921 413 T HN 1.931 nan 8.240 nan 0.000 0.488 414 G N 1.442 110.248 108.800 0.010 0.000 2.179 414 G HA2 -0.231 3.733 3.960 0.006 0.000 0.260 414 G HA3 -0.231 3.733 3.960 0.006 0.000 0.260 414 G C 0.067 174.967 174.900 -0.001 0.000 0.977 414 G CA 0.370 45.474 45.100 0.007 0.000 0.641 414 G HN 0.634 nan 8.290 nan 0.000 0.533 415 L N 0.662 121.881 121.223 -0.007 0.000 2.475 415 L HA 0.420 4.764 4.340 0.006 0.000 0.250 415 L C 1.527 178.391 176.870 -0.011 0.000 1.224 415 L CA 0.177 55.007 54.840 -0.015 0.000 0.821 415 L CB 0.275 42.317 42.059 -0.029 0.000 1.141 415 L HN 0.276 nan 8.230 nan 0.000 0.494 416 D N -1.236 119.155 120.400 -0.015 0.000 2.368 416 D HA 0.082 4.726 4.640 0.006 0.000 0.218 416 D C -0.096 176.196 176.300 -0.013 0.000 1.112 416 D CA -0.247 53.746 54.000 -0.011 0.000 0.834 416 D CB -0.150 40.644 40.800 -0.010 0.000 0.953 416 D HN 0.480 nan 8.370 nan 0.000 0.505 417 c N -1.978 116.610 118.600 -0.020 0.000 3.154 417 c HA 0.805 5.379 4.570 0.006 0.000 0.312 417 c C -0.243 173.828 174.090 -0.031 0.000 1.349 417 c CA -1.362 54.952 56.329 -0.025 0.000 1.518 417 c CB 0.673 43.163 42.510 -0.033 0.000 1.934 417 c HN 0.163 nan 8.230 nan 0.000 0.462 418 M N 2.467 122.046 119.600 -0.035 0.000 2.108 418 M HA 0.421 4.904 4.480 0.006 0.000 0.354 418 M C 0.140 176.385 176.300 -0.092 0.000 1.229 418 M CA -0.161 55.117 55.300 -0.036 0.000 1.081 418 M CB 0.218 32.813 32.600 -0.007 0.000 1.606 418 M HN 0.856 nan 8.290 nan 0.000 0.467 419 R N 7.409 127.846 120.500 -0.106 0.000 2.254 419 R HA 0.555 4.898 4.340 0.006 0.000 0.318 419 R C -2.672 173.473 176.300 -0.258 0.000 1.031 419 R CA -1.490 54.502 56.100 -0.180 0.000 0.905 419 R CB 0.712 30.915 30.300 -0.162 0.000 1.050 419 R HN 0.420 nan 8.270 nan 0.000 0.456 420 P HA 0.238 nan 4.420 nan 0.000 0.288 420 P C -0.906 176.189 177.300 -0.341 0.000 1.267 420 P CA -0.450 62.289 63.100 -0.602 0.000 0.815 420 P CB 1.327 32.253 31.700 -1.290 0.000 0.989 421 c N 2.896 121.276 118.600 -0.366 0.000 3.154 421 c HA 0.843 5.417 4.570 0.006 0.000 0.312 421 c C -0.440 173.478 174.090 -0.288 0.000 1.349 421 c CA -0.390 55.648 56.329 -0.486 0.000 1.518 421 c CB 1.267 42.866 42.510 -1.519 0.000 1.934 421 c HN 0.709 nan 8.230 nan 0.000 0.462 422 F N -0.391 119.370 119.950 -0.315 0.000 2.645 422 F HA 0.874 5.405 4.527 0.006 0.000 0.310 422 F C -1.242 174.685 175.800 0.211 0.000 1.102 422 F CA -1.295 56.512 58.000 -0.322 0.000 0.952 422 F CB 0.888 39.277 39.000 -1.018 0.000 1.326 422 F HN 0.834 nan 8.300 nan 0.000 0.456 423 W N 1.432 122.904 121.300 0.286 0.000 2.706 423 W HA 0.862 5.526 4.660 0.007 0.000 0.346 423 W C -2.179 174.479 176.519 0.232 0.000 1.071 423 W CA -1.590 55.889 57.345 0.224 0.000 1.206 423 W CB 0.951 30.548 29.460 0.228 0.000 1.413 423 W HN 0.532 nan 8.180 nan 0.000 0.542 424 V N 1.361 121.533 119.914 0.430 0.000 2.656 424 V HA 0.248 4.372 4.120 0.006 0.000 0.307 424 V C -0.315 176.044 176.094 0.441 0.000 1.051 424 V CA -0.892 61.546 62.300 0.229 0.000 0.893 424 V CB 1.728 33.472 31.823 -0.133 0.000 0.999 424 V HN 0.642 nan 8.190 nan 0.000 0.426 425 E N 4.083 124.581 120.200 0.497 0.000 2.174 425 E HA 0.505 4.859 4.350 0.006 0.000 0.282 425 E C -1.382 175.389 176.600 0.285 0.000 0.992 425 E CA -0.593 56.054 56.400 0.412 0.000 0.803 425 E CB 1.164 31.164 29.700 0.499 0.000 1.090 425 E HN 0.643 nan 8.360 nan 0.000 0.396 426 L N 6.762 128.124 121.223 0.232 0.000 2.283 426 L HA 0.408 4.752 4.340 0.006 0.000 0.281 426 L C -0.162 176.828 176.870 0.201 0.000 1.033 426 L CA -0.542 54.437 54.840 0.233 0.000 0.848 426 L CB 0.622 42.814 42.059 0.222 0.000 1.226 426 L HN 0.515 nan 8.230 nan 0.000 0.429 427 I N 4.206 124.890 120.570 0.189 0.000 2.371 427 I HA 0.296 4.470 4.170 0.006 0.000 0.290 427 I C 0.152 176.279 176.117 0.017 0.000 1.028 427 I CA -0.330 61.025 61.300 0.091 0.000 1.345 427 I CB 0.539 38.557 38.000 0.031 0.000 1.407 427 I HN 0.513 nan 8.210 nan 0.000 0.501 428 R N 4.330 124.843 120.500 0.023 0.000 2.778 428 R HA 0.812 5.156 4.340 0.006 0.000 0.277 428 R C 0.233 176.381 176.300 -0.254 0.000 0.977 428 R CA -0.516 55.532 56.100 -0.088 0.000 0.950 428 R CB 1.534 31.887 30.300 0.088 0.000 1.165 428 R HN 0.885 nan 8.270 nan 0.000 0.474 429 G N 1.123 109.608 108.800 -0.524 0.000 2.445 429 G HA2 -0.198 3.766 3.960 0.006 0.000 0.212 429 G HA3 -0.198 3.766 3.960 0.006 0.000 0.212 429 G C -1.008 173.595 174.900 -0.496 0.000 1.217 429 G CA -0.747 43.912 45.100 -0.736 0.000 1.002 429 G HN 0.404 nan 8.290 nan 0.000 0.574 430 Q N 1.312 120.874 119.800 -0.396 0.000 2.421 430 Q HA 0.280 4.624 4.340 0.006 0.000 0.255 430 Q C -1.251 174.607 176.000 -0.236 0.000 1.013 430 Q CA -0.265 55.375 55.803 -0.273 0.000 0.895 430 Q CB 1.159 29.784 28.738 -0.189 0.000 1.271 430 Q HN 0.447 nan 8.270 nan 0.000 0.460 431 P HA 0.043 nan 4.420 nan 0.000 0.251 431 P C 0.475 177.643 177.300 -0.219 0.000 1.223 431 P CA 0.433 63.425 63.100 -0.179 0.000 0.796 431 P CB 0.560 32.190 31.700 -0.116 0.000 1.068 432 K N 0.285 120.476 120.400 -0.348 0.000 2.296 432 K HA 0.097 4.421 4.320 0.006 0.000 0.200 432 K C 0.908 177.336 176.600 -0.286 0.000 1.048 432 K CA 0.703 56.753 56.287 -0.395 0.000 0.966 432 K CB 0.362 32.297 32.500 -0.941 0.000 0.754 432 K HN 0.424 nan 8.250 nan 0.000 0.466 436 T N -1.746 112.565 114.554 -0.405 0.000 2.887 436 T HA 0.504 4.858 4.350 0.006 0.000 0.292 436 T C 1.769 176.231 174.700 -0.396 0.000 1.087 436 T CA -0.881 60.894 62.100 -0.542 0.000 1.009 436 T CB 1.126 69.225 68.868 -1.282 0.000 1.203 436 T HN 0.168 nan 8.240 nan 0.000 0.518 437 I N -2.020 118.403 120.570 -0.244 0.000 3.059 437 I HA 0.320 4.493 4.170 0.006 0.000 0.270 437 I C 0.514 176.627 176.117 -0.006 0.000 1.238 437 I CA -0.585 60.677 61.300 -0.064 0.000 1.478 437 I CB -0.121 37.914 38.000 0.059 0.000 1.097 437 I HN 0.601 nan 8.210 nan 0.000 0.455 438 W N 1.186 122.451 121.300 -0.057 0.000 2.762 438 W HA 0.701 5.364 4.660 0.005 0.000 0.355 438 W C -1.186 175.283 176.519 -0.083 0.000 1.124 438 W CA -0.993 56.320 57.345 -0.054 0.000 1.141 438 W CB 0.443 29.879 29.460 -0.040 0.000 1.432 438 W HN -0.313 nan 8.180 nan 0.000 0.586 439 T N 1.703 116.459 114.554 0.337 0.000 2.879 439 T HA 0.416 4.770 4.350 0.006 0.000 0.290 439 T C -1.036 173.872 174.700 0.346 0.000 0.993 439 T CA -0.276 61.956 62.100 0.219 0.000 0.975 439 T CB 1.875 70.764 68.868 0.035 0.000 0.981 439 T HN 0.498 nan 8.240 nan 0.000 0.439 440 S N 1.186 117.121 115.700 0.392 0.000 2.651 440 S HA 0.896 5.370 4.470 0.006 0.000 0.279 440 S C -0.611 174.077 174.600 0.147 0.000 1.148 440 S CA -0.549 57.773 58.200 0.204 0.000 0.837 440 S CB 1.696 64.941 63.200 0.075 0.000 1.138 440 S HN 0.994 nan 8.310 nan 0.000 0.478 441 G N 0.913 109.759 108.800 0.077 0.000 2.533 441 G HA2 0.632 4.596 3.960 0.006 0.000 0.304 441 G HA3 0.632 4.596 3.960 0.006 0.000 0.304 441 G C -0.525 174.405 174.900 0.049 0.000 1.263 441 G CA -0.327 44.825 45.100 0.086 0.000 0.964 441 G HN 0.997 nan 8.290 nan 0.000 0.479 442 S N -0.841 114.907 115.700 0.079 0.000 2.768 442 S HA 0.874 5.348 4.470 0.006 0.000 0.300 442 S C 0.126 174.774 174.600 0.080 0.000 1.122 442 S CA 0.030 58.257 58.200 0.045 0.000 0.995 442 S CB 1.664 64.901 63.200 0.061 0.000 1.195 442 S HN 1.664 nan 8.310 nan 0.000 0.547 443 S N -0.288 115.446 115.700 0.056 0.000 2.595 443 S HA 0.800 5.274 4.470 0.006 0.000 0.281 443 S C -0.605 174.046 174.600 0.085 0.000 1.117 443 S CA -1.001 57.261 58.200 0.103 0.000 0.873 443 S CB 0.846 64.086 63.200 0.067 0.000 1.108 443 S HN 1.272 nan 8.310 nan 0.000 0.477 444 I N -0.787 119.861 120.570 0.130 0.000 2.934 444 I HA 0.920 5.093 4.170 0.006 0.000 0.306 444 I C -0.695 175.453 176.117 0.051 0.000 1.110 444 I CA -0.945 60.376 61.300 0.034 0.000 1.019 444 I CB 2.252 40.309 38.000 0.095 0.000 1.227 444 I HN 0.916 nan 8.210 nan 0.000 0.434 445 S N 2.065 117.657 115.700 -0.181 0.000 2.579 445 S HA 0.821 5.295 4.470 0.006 0.000 0.272 445 S C -1.377 172.914 174.600 -0.516 0.000 1.141 445 S CA -0.617 57.540 58.200 -0.072 0.000 0.843 445 S CB 1.857 65.235 63.200 0.296 0.000 1.122 445 S HN 0.584 nan 8.310 nan 0.000 0.468 446 F N -0.339 119.364 119.950 -0.410 0.000 2.613 446 F HA 0.711 5.242 4.527 0.006 0.000 0.310 446 F C -0.231 175.443 175.800 -0.210 0.000 1.085 446 F CA -0.784 57.016 58.000 -0.334 0.000 0.945 446 F CB 1.973 40.661 39.000 -0.520 0.000 1.298 446 F HN 0.831 nan 8.300 nan 0.000 0.455 447 c N 1.019 119.691 118.600 0.121 0.000 2.493 447 c HA 0.781 5.355 4.570 0.006 0.000 0.326 447 c C 0.568 174.678 174.090 0.033 0.000 1.200 447 c CA -0.987 55.345 56.329 0.005 0.000 1.739 447 c CB 1.396 43.770 42.510 -0.227 0.000 2.300 447 c HN 1.014 nan 8.230 nan 0.000 0.500 448 G N 1.428 110.082 108.800 -0.244 0.000 2.364 448 G HA2 0.514 4.478 3.960 0.006 0.000 0.267 448 G HA3 0.514 4.478 3.960 0.006 0.000 0.267 448 G C -0.404 174.176 174.900 -0.534 0.000 1.233 448 G CA 0.071 44.639 45.100 -0.886 0.000 0.885 448 G HN 1.165 nan 8.290 nan 0.000 0.490 449 V N 0.230 119.836 119.914 -0.513 0.000 2.962 449 V HA 0.581 4.705 4.120 0.006 0.000 0.313 449 V C -0.270 175.638 176.094 -0.310 0.000 1.099 449 V CA -1.577 60.536 62.300 -0.312 0.000 0.971 449 V CB 2.332 34.044 31.823 -0.184 0.000 1.028 449 V HN 0.460 nan 8.190 nan 0.000 0.430 450 N N 2.382 120.948 118.700 -0.224 0.000 3.324 450 N HA 0.487 5.231 4.740 0.006 0.000 0.302 450 N C -0.304 175.132 175.510 -0.124 0.000 1.360 450 N CA 0.518 53.457 53.050 -0.184 0.000 1.190 450 N CB -0.124 38.269 38.487 -0.157 0.000 1.462 450 N HN 1.145 nan 8.380 nan 0.000 0.532 451 S N -1.192 114.442 115.700 -0.112 0.000 2.672 451 S HA 0.414 4.888 4.470 0.006 0.000 0.271 451 S C -1.194 173.378 174.600 -0.047 0.000 1.171 451 S CA -1.061 57.099 58.200 -0.066 0.000 0.817 451 S CB 1.118 64.287 63.200 -0.052 0.000 1.150 451 S HN -0.008 nan 8.310 nan 0.000 0.478 452 D N 2.016 122.406 120.400 -0.017 0.000 2.414 452 D HA 0.527 5.171 4.640 0.006 0.000 0.242 452 D C 0.481 176.800 176.300 0.033 0.000 1.129 452 D CA 0.688 54.693 54.000 0.009 0.000 0.885 452 D CB 1.116 41.926 40.800 0.015 0.000 1.198 452 D HN 0.773 nan 8.370 nan 0.000 0.437 453 T N -2.212 112.381 114.554 0.064 0.000 2.804 453 T HA 0.718 5.072 4.350 0.006 0.000 0.290 453 T C -0.683 174.114 174.700 0.162 0.000 1.099 453 T CA -0.921 61.254 62.100 0.124 0.000 1.011 453 T CB 1.648 70.597 68.868 0.134 0.000 1.291 453 T HN 0.195 nan 8.240 nan 0.000 0.523 454 V N -0.539 119.525 119.914 0.249 0.000 3.048 454 V HA 0.769 4.893 4.120 0.006 0.000 0.303 454 V C 0.054 176.381 176.094 0.389 0.000 1.214 454 V CA -0.126 62.323 62.300 0.248 0.000 0.984 454 V CB 1.898 33.816 31.823 0.158 0.000 1.054 454 V HN 1.468 nan 8.190 nan 0.000 0.430 455 G N 3.115 112.109 108.800 0.323 0.000 2.444 455 G HA2 0.563 4.526 3.960 0.006 0.000 0.268 455 G HA3 0.563 4.526 3.960 0.006 0.000 0.268 455 G C -1.381 173.736 174.900 0.362 0.000 1.203 455 G CA 0.009 45.337 45.100 0.380 0.000 0.835 455 G HN 0.865 nan 8.290 nan 0.000 0.543 456 W N -0.064 121.255 121.300 0.032 0.000 2.955 456 W HA 0.639 5.303 4.660 0.007 0.000 0.428 456 W C -0.867 175.486 176.519 -0.276 0.000 1.041 456 W CA -0.994 56.134 57.345 -0.361 0.000 1.220 456 W CB 1.268 30.121 29.460 -1.012 0.000 1.459 456 W HN 0.620 nan 8.180 nan 0.000 0.618 457 S N 1.555 116.825 115.700 -0.717 0.000 2.605 457 S HA 0.546 5.020 4.470 0.006 0.000 0.308 457 S C -1.486 172.732 174.600 -0.637 0.000 1.113 457 S CA -0.423 57.510 58.200 -0.445 0.000 1.049 457 S CB 0.302 63.284 63.200 -0.363 0.000 1.001 457 S HN 0.318 nan 8.310 nan 0.000 0.480 458 W N 6.842 128.138 121.300 -0.007 0.000 2.165 458 W HA 0.292 4.956 4.660 0.006 0.000 0.288 458 W C -2.618 173.933 176.519 0.053 0.000 0.900 458 W CA -1.721 55.633 57.345 0.015 0.000 1.914 458 W CB 0.833 30.406 29.460 0.189 0.000 2.091 458 W HN 0.530 nan 8.180 nan 0.000 0.399 459 P HA 0.071 nan 4.420 nan 0.000 0.282 459 P C 0.727 178.118 177.300 0.152 0.000 1.287 459 P CA 0.047 63.231 63.100 0.140 0.000 0.792 459 P CB 1.679 33.409 31.700 0.050 0.000 1.163 460 D N -0.205 120.294 120.400 0.165 0.000 2.087 460 D HA -0.128 4.516 4.640 0.006 0.000 0.192 460 D C 1.434 177.816 176.300 0.136 0.000 0.993 460 D CA 3.015 57.112 54.000 0.161 0.000 0.828 460 D CB -0.746 40.167 40.800 0.189 0.000 0.968 460 D HN 0.684 nan 8.370 nan 0.000 0.448 461 G N -0.978 107.897 108.800 0.126 0.000 2.175 461 G HA2 -0.160 3.804 3.960 0.006 0.000 0.244 461 G HA3 -0.160 3.804 3.960 0.006 0.000 0.244 461 G C 0.403 175.383 174.900 0.133 0.000 0.982 461 G CA 0.549 45.712 45.100 0.105 0.000 0.641 461 G HN 0.776 nan 8.290 nan 0.000 0.527 462 A N -0.020 122.906 122.820 0.175 0.000 2.351 462 A HA 0.666 4.990 4.320 0.006 0.000 0.257 462 A C 0.208 177.922 177.584 0.218 0.000 1.087 462 A CA 0.195 52.375 52.037 0.239 0.000 0.798 462 A CB 0.374 19.563 19.000 0.315 0.000 1.033 462 A HN 0.457 nan 8.150 nan 0.000 0.488 463 E N 0.884 121.243 120.200 0.265 0.000 2.092 463 E HA 0.451 4.805 4.350 0.006 0.000 0.271 463 E C -1.310 175.443 176.600 0.255 0.000 0.919 463 E CA -0.298 56.227 56.400 0.208 0.000 0.760 463 E CB 1.182 30.984 29.700 0.169 0.000 1.106 463 E HN 0.439 nan 8.360 nan 0.000 0.408 464 L N 4.094 125.396 121.223 0.131 0.000 2.352 464 L HA 0.492 4.835 4.340 0.006 0.000 0.269 464 L C -1.697 175.202 176.870 0.048 0.000 1.034 464 L CA -1.743 53.118 54.840 0.036 0.000 0.806 464 L CB 0.162 42.138 42.059 -0.139 0.000 1.244 464 L HN 0.477 nan 8.230 nan 0.000 0.447 465 P HA 0.339 nan 4.420 nan 0.000 0.277 465 P C -0.715 176.767 177.300 0.304 0.000 1.271 465 P CA -0.385 62.736 63.100 0.034 0.000 0.795 465 P CB 0.623 32.330 31.700 0.011 0.000 1.101 466 F N -0.777 119.305 119.950 0.219 0.000 2.272 466 F HA 0.186 4.716 4.527 0.005 0.000 0.316 466 F C 2.319 178.200 175.800 0.136 0.000 1.068 466 F CA -1.142 56.977 58.000 0.197 0.000 1.114 466 F CB -1.042 38.114 39.000 0.259 0.000 1.611 466 F HN 0.217 nan 8.300 nan 0.000 0.519 467 S N -0.279 115.603 115.700 0.303 0.000 2.355 467 S HA 0.049 4.522 4.470 0.006 0.000 0.222 467 S C 0.840 175.539 174.600 0.165 0.000 1.031 467 S CA 0.961 59.259 58.200 0.164 0.000 0.993 467 S CB -0.095 63.155 63.200 0.084 0.000 0.859 467 S HN 0.273 nan 8.310 nan 0.000 0.453 468 I N 0.000 120.695 120.570 0.209 0.000 2.984 468 I HA 0.000 4.174 4.170 0.006 0.000 0.288 468 I CA 0.000 61.411 61.300 0.185 0.000 1.566 468 I CB 0.000 38.075 38.000 0.125 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494