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 3cye_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 0.000 176.013 176.094 -0.135 0.000 1.182 83 V CA 0.000 62.221 62.300 -0.132 0.000 1.235 83 V CB 0.000 31.719 31.823 -0.173 0.000 1.184 84 I N 3.271 123.801 120.570 -0.067 0.000 2.396 84 I HA 0.650 4.823 4.170 0.006 0.000 0.292 84 I C 0.203 176.308 176.117 -0.020 0.000 0.999 84 I CA -0.764 60.510 61.300 -0.043 0.000 1.310 84 I CB 1.330 39.318 38.000 -0.021 0.000 1.404 84 I HN 0.639 nan 8.210 nan 0.000 0.496 85 L N 5.637 126.861 121.223 0.001 0.000 2.513 85 L HA 0.075 4.419 4.340 0.006 0.000 0.272 85 L C 1.796 178.689 176.870 0.039 0.000 1.187 85 L CA -0.029 54.830 54.840 0.031 0.000 0.895 85 L CB 0.892 42.988 42.059 0.061 0.000 1.147 85 L HN 0.920 nan 8.230 nan 0.000 0.483 86 T N -1.163 113.412 114.554 0.035 0.000 2.857 86 T HA -0.055 4.298 4.350 0.006 0.000 0.266 86 T C 1.468 176.198 174.700 0.049 0.000 1.048 86 T CA 0.588 62.709 62.100 0.036 0.000 1.139 86 T CB -0.257 68.626 68.868 0.025 0.000 0.874 86 T HN 0.956 nan 8.240 nan 0.000 0.455 87 G N 2.726 111.558 108.800 0.052 0.000 2.179 87 G HA2 -0.344 3.620 3.960 0.006 0.000 0.257 87 G HA3 -0.344 3.620 3.960 0.006 0.000 0.257 87 G C 0.637 175.557 174.900 0.033 0.000 1.010 87 G CA 0.689 45.823 45.100 0.057 0.000 0.736 87 G HN 0.838 nan 8.290 nan 0.000 0.513 88 N N 0.326 119.040 118.700 0.023 0.000 2.373 88 N HA 0.095 4.839 4.740 0.006 0.000 0.181 88 N C 1.226 176.737 175.510 0.002 0.000 1.082 88 N CA 0.958 54.014 53.050 0.009 0.000 0.885 88 N CB -0.430 38.063 38.487 0.010 0.000 0.977 88 N HN 0.846 nan 8.380 nan 0.000 0.462 89 S N -0.359 115.345 115.700 0.006 0.000 2.593 89 S HA 0.396 4.870 4.470 0.006 0.000 0.269 89 S C 0.237 174.831 174.600 -0.009 0.000 1.334 89 S CA -0.718 57.480 58.200 -0.002 0.000 1.015 89 S CB 0.829 64.028 63.200 -0.001 0.000 0.912 89 S HN 0.169 nan 8.310 nan 0.000 0.541 90 S N 0.719 116.408 115.700 -0.019 0.000 2.713 90 S HA 0.453 4.927 4.470 0.006 0.000 0.283 90 S C 0.170 174.741 174.600 -0.049 0.000 1.161 90 S CA -0.893 57.287 58.200 -0.034 0.000 0.999 90 S CB 0.320 63.500 63.200 -0.032 0.000 1.039 90 S HN 0.627 nan 8.310 nan 0.000 0.548 91 L N 1.350 122.513 121.223 -0.101 0.000 2.485 91 L HA 0.092 4.436 4.340 0.006 0.000 0.275 91 L C 0.113 176.975 176.870 -0.014 0.000 1.207 91 L CA -0.495 54.259 54.840 -0.143 0.000 0.855 91 L CB -0.145 41.654 42.059 -0.433 0.000 1.114 91 L HN 0.672 nan 8.230 nan 0.000 0.485 92 c N 3.945 122.525 118.600 -0.033 0.000 2.657 92 c HA 0.127 4.700 4.570 0.006 0.000 0.420 92 c C -1.695 172.409 174.090 0.023 0.000 1.323 92 c CA -0.965 55.345 56.329 -0.031 0.000 1.894 92 c CB -0.596 41.848 42.510 -0.110 0.000 2.681 92 c HN 0.511 nan 8.230 nan 0.000 0.613 93 P HA 0.325 nan 4.420 nan 0.000 0.267 93 P C -0.400 176.751 177.300 -0.248 0.000 1.205 93 P CA 0.481 63.502 63.100 -0.132 0.000 0.765 93 P CB 0.164 31.798 31.700 -0.109 0.000 0.828 94 I N -0.961 119.367 120.570 -0.403 0.000 2.969 94 I HA 0.568 4.741 4.170 0.006 0.000 0.307 94 I C 0.424 176.282 176.117 -0.431 0.000 1.149 94 I CA -0.808 60.206 61.300 -0.476 0.000 1.008 94 I CB 2.578 40.131 38.000 -0.745 0.000 1.232 94 I HN 0.176 nan 8.210 nan 0.000 0.435 95 S N 1.517 116.999 115.700 -0.364 0.000 2.520 95 S HA 0.709 5.183 4.470 0.006 0.000 0.219 95 S C 0.614 175.119 174.600 -0.158 0.000 1.028 95 S CA 0.217 58.293 58.200 -0.207 0.000 0.921 95 S CB 0.586 63.706 63.200 -0.133 0.000 0.844 95 S HN 1.345 nan 8.310 nan 0.000 0.495 96 G N -0.147 108.364 108.800 -0.482 0.000 2.427 96 G HA2 0.459 4.423 3.960 0.006 0.000 0.306 96 G HA3 0.459 4.423 3.960 0.006 0.000 0.306 96 G C -2.416 171.968 174.900 -0.860 0.000 1.280 96 G CA -1.032 43.744 45.100 -0.539 0.000 0.837 96 G HN 0.249 nan 8.290 nan 0.000 0.482 97 W N 0.504 121.771 121.300 -0.055 0.000 2.619 97 W HA 0.717 5.381 4.660 0.006 0.000 0.327 97 W C 0.181 176.813 176.519 0.188 0.000 1.027 97 W CA -0.544 56.825 57.345 0.041 0.000 1.233 97 W CB 2.250 31.775 29.460 0.108 0.000 1.370 97 W HN 0.767 nan 8.180 nan 0.000 0.453 98 A N 4.383 127.386 122.820 0.305 0.000 2.301 98 A HA 0.659 4.983 4.320 0.006 0.000 0.312 98 A C -0.692 177.002 177.584 0.182 0.000 1.182 98 A CA -0.839 51.335 52.037 0.228 0.000 0.826 98 A CB 0.696 19.749 19.000 0.089 0.000 1.134 98 A HN 0.823 nan 8.150 nan 0.000 0.501 99 I N 2.242 122.783 120.570 -0.048 0.000 2.556 99 I HA 0.158 4.332 4.170 0.006 0.000 0.284 99 I C 0.335 176.257 176.117 -0.325 0.000 1.114 99 I CA 0.180 61.090 61.300 -0.649 0.000 1.418 99 I CB 0.621 37.977 38.000 -1.073 0.000 1.394 99 I HN 0.862 nan 8.210 nan 0.000 0.552 100 Y N 6.541 126.526 120.300 -0.524 0.000 2.539 100 Y HA 0.225 4.779 4.550 0.006 0.000 0.284 100 Y C 0.787 176.544 175.900 -0.239 0.000 1.134 100 Y CA 0.616 58.562 58.100 -0.256 0.000 1.251 100 Y CB 0.292 38.686 38.460 -0.111 0.000 1.260 100 Y HN 0.665 nan 8.280 nan 0.000 0.528 101 S N -0.094 115.421 115.700 -0.308 0.000 2.596 101 S HA 0.563 5.037 4.470 0.006 0.000 0.270 101 S C -1.434 173.008 174.600 -0.263 0.000 1.155 101 S CA -0.987 57.028 58.200 -0.309 0.000 0.827 101 S CB 2.760 65.799 63.200 -0.267 0.000 1.130 101 S HN 0.176 nan 8.310 nan 0.000 0.467 102 K N 0.559 120.852 120.400 -0.179 0.000 2.565 102 K HA 0.345 4.669 4.320 0.006 0.000 0.251 102 K C -1.065 175.496 176.600 -0.065 0.000 0.956 102 K CA -0.393 55.836 56.287 -0.097 0.000 0.809 102 K CB 1.321 33.788 32.500 -0.056 0.000 1.267 102 K HN 0.747 nan 8.250 nan 0.000 0.438 103 D N 2.540 122.911 120.400 -0.048 0.000 2.367 103 D HA -0.024 4.620 4.640 0.006 0.000 0.207 103 D C -0.196 176.084 176.300 -0.035 0.000 1.034 103 D CA 0.080 54.043 54.000 -0.060 0.000 0.861 103 D CB 0.068 40.813 40.800 -0.092 0.000 0.943 103 D HN 0.620 nan 8.370 nan 0.000 0.515 104 N N 0.390 119.091 118.700 0.002 0.000 2.696 104 N HA -0.150 4.594 4.740 0.006 0.000 0.249 104 N C 1.233 176.748 175.510 0.008 0.000 1.090 104 N CA 0.828 53.893 53.050 0.025 0.000 0.716 104 N CB -1.404 37.100 38.487 0.028 0.000 1.020 104 N HN 0.541 nan 8.380 nan 0.000 0.548 105 G N 0.269 109.059 108.800 -0.018 0.000 2.440 105 G HA2 -0.173 3.790 3.960 0.006 0.000 0.218 105 G HA3 -0.173 3.790 3.960 0.006 0.000 0.218 105 G C 1.619 176.505 174.900 -0.023 0.000 1.154 105 G CA 0.997 46.063 45.100 -0.058 0.000 0.767 105 G HN 0.499 nan 8.290 nan 0.000 0.552 106 I N -0.138 120.455 120.570 0.039 0.000 2.333 106 I HA -0.052 4.122 4.170 0.006 0.000 0.246 106 I C 3.010 179.272 176.117 0.241 0.000 1.106 106 I CA 0.574 61.950 61.300 0.126 0.000 1.411 106 I CB -0.186 37.908 38.000 0.157 0.000 1.082 106 I HN 0.053 nan 8.210 nan 0.000 0.420 107 R N 0.909 121.514 120.500 0.175 0.000 2.096 107 R HA -0.174 4.170 4.340 0.006 0.000 0.240 107 R C 2.302 178.618 176.300 0.026 0.000 1.139 107 R CA 1.642 57.819 56.100 0.130 0.000 0.952 107 R CB -0.506 29.850 30.300 0.093 0.000 0.854 107 R HN 0.320 nan 8.270 nan 0.000 0.436 108 I N -0.090 120.479 120.570 -0.002 0.000 2.286 108 I HA -0.155 4.019 4.170 0.006 0.000 0.248 108 I C 2.382 178.442 176.117 -0.096 0.000 1.115 108 I CA 1.372 62.641 61.300 -0.051 0.000 1.392 108 I CB -0.469 37.499 38.000 -0.053 0.000 1.065 108 I HN 0.334 nan 8.210 nan 0.000 0.418 109 G N -0.640 108.112 108.800 -0.080 0.000 2.559 109 G HA2 -0.209 3.754 3.960 0.006 0.000 0.216 109 G HA3 -0.209 3.754 3.960 0.006 0.000 0.216 109 G C 1.676 176.436 174.900 -0.234 0.000 1.126 109 G CA 0.797 45.826 45.100 -0.118 0.000 0.778 109 G HN 0.364 nan 8.290 nan 0.000 0.543 110 S N -0.215 115.241 115.700 -0.406 0.000 2.419 110 S HA -0.081 4.393 4.470 0.006 0.000 0.233 110 S C 2.107 176.402 174.600 -0.509 0.000 1.016 110 S CA 2.106 59.736 58.200 -0.950 0.000 0.974 110 S CB -0.027 62.701 63.200 -0.788 0.000 0.786 110 S HN 0.466 nan 8.310 nan 0.000 0.492 111 K N -0.224 120.003 120.400 -0.288 0.000 2.485 111 K HA 0.352 4.676 4.320 0.006 0.000 0.200 111 K C 0.960 177.478 176.600 -0.136 0.000 1.352 111 K CA 0.734 56.909 56.287 -0.186 0.000 0.953 111 K CB -0.435 31.982 32.500 -0.138 0.000 1.387 111 K HN 0.234 nan 8.250 nan 0.000 0.512 112 G N 0.248 108.972 108.800 -0.126 0.000 2.621 112 G HA2 0.157 4.121 3.960 0.006 0.000 0.271 112 G HA3 0.157 4.121 3.960 0.006 0.000 0.271 112 G C -0.979 173.840 174.900 -0.135 0.000 1.236 112 G CA -0.444 44.597 45.100 -0.098 0.000 0.958 112 G HN 0.251 nan 8.290 nan 0.000 0.512 113 D N 0.245 120.557 120.400 -0.146 0.000 2.456 113 D HA 0.397 5.041 4.640 0.006 0.000 0.219 113 D C -0.413 175.637 176.300 -0.417 0.000 1.126 113 D CA 0.136 53.974 54.000 -0.269 0.000 0.890 113 D CB 1.349 41.989 40.800 -0.267 0.000 1.025 113 D HN 0.008 nan 8.370 nan 0.000 0.511 114 V N 2.986 122.683 119.914 -0.362 0.000 2.588 114 V HA 0.328 4.452 4.120 0.006 0.000 0.304 114 V C 0.006 175.904 176.094 -0.327 0.000 1.042 114 V CA -0.964 61.123 62.300 -0.355 0.000 0.877 114 V CB 1.484 33.171 31.823 -0.227 0.000 0.996 114 V HN 0.241 nan 8.190 nan 0.000 0.425 115 F N 2.630 122.440 119.950 -0.233 0.000 2.563 115 F HA 0.179 4.708 4.527 0.005 0.000 0.363 115 F C 0.747 176.423 175.800 -0.208 0.000 1.123 115 F CA 0.127 58.018 58.000 -0.181 0.000 1.307 115 F CB 0.533 39.459 39.000 -0.125 0.000 1.115 115 F HN 0.166 nan 8.300 nan 0.000 0.592 116 V N 5.533 125.488 119.914 0.069 0.000 2.479 116 V HA 0.168 4.292 4.120 0.006 0.000 0.281 116 V C 0.267 176.390 176.094 0.050 0.000 1.031 116 V CA 0.026 62.318 62.300 -0.013 0.000 1.038 116 V CB -0.103 31.723 31.823 0.006 0.000 0.981 116 V HN 0.588 nan 8.190 nan 0.000 0.478 117 I N 3.780 124.350 120.570 -0.001 0.000 3.145 117 I HA 0.883 5.056 4.170 0.006 0.000 0.313 117 I C -0.509 175.635 176.117 0.044 0.000 1.122 117 I CA -1.072 60.239 61.300 0.018 0.000 0.987 117 I CB 2.426 40.337 38.000 -0.148 0.000 1.236 117 I HN 0.299 nan 8.210 nan 0.000 0.453 118 R N 1.530 122.079 120.500 0.082 0.000 2.836 118 R HA 0.333 4.677 4.340 0.006 0.000 0.269 118 R C -1.061 175.307 176.300 0.113 0.000 1.010 118 R CA -0.402 55.737 56.100 0.064 0.000 0.930 118 R CB 1.467 31.788 30.300 0.036 0.000 1.218 118 R HN 0.964 nan 8.270 nan 0.000 0.473 119 E N -0.089 120.186 120.200 0.126 0.000 2.222 119 E HA -0.125 4.228 4.350 0.006 0.000 0.189 119 E C -2.043 174.570 176.600 0.022 0.000 1.415 119 E CA 0.062 56.592 56.400 0.217 0.000 0.689 119 E CB -1.258 28.678 29.700 0.393 0.000 1.107 119 E HN 0.232 nan 8.360 nan 0.000 0.350 120 P HA 0.063 nan 4.420 nan 0.000 0.237 120 P C -0.297 176.534 177.300 -0.783 0.000 1.788 120 P CA -0.159 62.759 63.100 -0.304 0.000 1.061 120 P CB -1.015 30.569 31.700 -0.193 0.000 1.967 121 F N 1.056 120.488 119.950 -0.863 0.000 2.399 121 F HA 0.520 5.050 4.527 0.006 0.000 0.342 121 F C -0.026 175.454 175.800 -0.533 0.000 1.106 121 F CA -1.426 55.838 58.000 -1.226 0.000 1.196 121 F CB 0.332 39.035 39.000 -0.494 0.000 1.163 121 F HN -0.083 nan 8.300 nan 0.000 0.547 122 I N 2.781 123.132 120.570 -0.366 0.000 2.428 122 I HA 0.442 4.615 4.170 0.006 0.000 0.296 122 I C 0.063 176.222 176.117 0.070 0.000 0.985 122 I CA -0.472 60.644 61.300 -0.308 0.000 1.260 122 I CB 1.701 39.142 38.000 -0.931 0.000 1.389 122 I HN 0.800 nan 8.210 nan 0.000 0.484 123 S N 3.979 119.824 115.700 0.242 0.000 2.556 123 S HA 0.657 5.130 4.470 0.006 0.000 0.271 123 S C -1.336 173.609 174.600 0.574 0.000 1.135 123 S CA -0.458 58.036 58.200 0.491 0.000 0.858 123 S CB 1.320 64.901 63.200 0.636 0.000 1.114 123 S HN 0.681 nan 8.310 nan 0.000 0.468 124 c N 2.505 121.388 118.600 0.471 0.000 2.707 124 c HA 0.891 5.465 4.570 0.006 0.000 0.313 124 c C 0.889 174.997 174.090 0.030 0.000 1.209 124 c CA -0.657 55.855 56.329 0.305 0.000 1.635 124 c CB 1.208 43.868 42.510 0.250 0.000 2.206 124 c HN 0.999 nan 8.230 nan 0.000 0.485 125 S N 0.874 116.463 115.700 -0.185 0.000 2.590 125 S HA 0.303 4.777 4.470 0.006 0.000 0.282 125 S C 1.024 175.508 174.600 -0.194 0.000 1.136 125 S CA -0.055 57.792 58.200 -0.588 0.000 1.030 125 S CB -0.034 62.408 63.200 -1.263 0.000 1.195 125 S HN 0.921 nan 8.310 nan 0.000 0.506 126 H N 0.049 118.926 119.070 -0.321 0.000 2.555 126 H HA 0.316 4.875 4.556 0.006 0.000 0.269 126 H C 1.173 176.449 175.328 -0.087 0.000 0.988 126 H CA 0.596 56.571 56.048 -0.122 0.000 1.178 126 H CB -0.501 29.224 29.762 -0.063 0.000 1.373 126 H HN 0.470 nan 8.280 nan 0.000 0.588 127 L N -0.157 120.786 121.223 -0.468 0.000 2.694 127 L HA 0.246 4.590 4.340 0.006 0.000 0.228 127 L C 0.301 177.085 176.870 -0.143 0.000 1.048 127 L CA 0.245 54.871 54.840 -0.357 0.000 0.887 127 L CB 0.545 42.323 42.059 -0.468 0.000 1.265 127 L HN 0.248 nan 8.230 nan 0.000 0.492 128 E N -1.527 118.621 120.200 -0.087 0.000 2.437 128 E HA 0.446 4.800 4.350 0.006 0.000 0.280 128 E C -1.662 175.005 176.600 0.112 0.000 1.044 128 E CA -0.943 55.471 56.400 0.024 0.000 0.826 128 E CB 1.855 31.570 29.700 0.025 0.000 1.358 128 E HN -0.146 nan 8.360 nan 0.000 0.459 129 c N 0.394 119.076 118.600 0.137 0.000 2.561 129 c HA 0.729 5.303 4.570 0.006 0.000 0.319 129 c C -0.477 173.662 174.090 0.082 0.000 1.198 129 c CA -0.565 55.870 56.329 0.176 0.000 1.665 129 c CB 0.864 43.499 42.510 0.209 0.000 2.258 129 c HN 0.591 nan 8.230 nan 0.000 0.493 130 R N 0.637 121.170 120.500 0.055 0.000 2.795 130 R HA 0.609 4.953 4.340 0.006 0.000 0.275 130 R C -1.051 175.082 176.300 -0.278 0.000 0.981 130 R CA -0.477 55.505 56.100 -0.197 0.000 0.917 130 R CB 1.908 31.923 30.300 -0.476 0.000 1.202 130 R HN 0.639 nan 8.270 nan 0.000 0.469 131 T N 2.781 117.115 114.554 -0.366 0.000 2.728 131 T HA 0.358 4.711 4.350 0.006 0.000 0.296 131 T C -0.529 173.824 174.700 -0.579 0.000 0.940 131 T CA -0.100 61.780 62.100 -0.367 0.000 1.013 131 T CB 0.047 68.778 68.868 -0.229 0.000 0.912 131 T HN 0.159 nan 8.240 nan 0.000 0.484 132 F N 3.975 123.471 119.950 -0.757 0.000 2.377 132 F HA 0.715 5.246 4.527 0.006 0.000 0.328 132 F C 0.140 175.512 175.800 -0.713 0.000 1.094 132 F CA -0.927 56.476 58.000 -0.996 0.000 1.093 132 F CB 0.893 38.892 39.000 -1.669 0.000 1.214 132 F HN 0.569 nan 8.300 nan 0.000 0.518 133 F N -0.650 119.068 119.950 -0.387 0.000 2.741 133 F HA 0.689 5.219 4.527 0.005 0.000 0.311 133 F C -2.256 173.458 175.800 -0.144 0.000 1.149 133 F CA -1.672 56.187 58.000 -0.235 0.000 0.930 133 F CB 0.960 39.822 39.000 -0.230 0.000 1.312 133 F HN 0.156 nan 8.300 nan 0.000 0.450 134 L N 1.847 123.159 121.223 0.150 0.000 2.307 134 L HA 0.695 5.039 4.340 0.006 0.000 0.284 134 L C -0.115 176.844 176.870 0.147 0.000 1.023 134 L CA -0.615 54.272 54.840 0.079 0.000 0.810 134 L CB 1.855 43.990 42.059 0.127 0.000 1.231 134 L HN 0.933 nan 8.230 nan 0.000 0.423 135 T N 0.431 115.008 114.554 0.040 0.000 2.908 135 T HA 0.253 4.607 4.350 0.006 0.000 0.290 135 T C 0.328 175.063 174.700 0.059 0.000 1.034 135 T CA -0.586 61.529 62.100 0.025 0.000 1.010 135 T CB 1.661 70.411 68.868 -0.197 0.000 1.068 135 T HN 0.721 nan 8.240 nan 0.000 0.481 136 Q N 1.850 121.717 119.800 0.112 0.000 2.282 136 Q HA 0.315 4.659 4.340 0.006 0.000 0.205 136 Q C 1.128 177.225 176.000 0.162 0.000 0.915 136 Q CA 0.051 55.955 55.803 0.168 0.000 0.949 136 Q CB -0.370 28.473 28.738 0.175 0.000 1.035 136 Q HN 1.012 nan 8.270 nan 0.000 0.484 137 G N 0.452 109.323 108.800 0.118 0.000 2.371 137 G HA2 -0.111 3.853 3.960 0.006 0.000 0.299 137 G HA3 -0.111 3.853 3.960 0.006 0.000 0.299 137 G C -0.092 174.901 174.900 0.155 0.000 1.014 137 G CA 0.266 45.456 45.100 0.149 0.000 1.097 137 G HN 0.820 nan 8.290 nan 0.000 0.512 138 A N -0.034 122.921 122.820 0.225 0.000 2.594 138 A HA 0.853 5.177 4.320 0.006 0.000 0.295 138 A C -0.319 177.344 177.584 0.132 0.000 1.071 138 A CA -0.780 51.339 52.037 0.136 0.000 0.685 138 A CB 1.357 20.435 19.000 0.129 0.000 1.285 138 A HN 0.813 nan 8.150 nan 0.000 0.405 139 L N 1.423 122.650 121.223 0.007 0.000 2.334 139 L HA 0.514 4.857 4.340 0.006 0.000 0.270 139 L C -0.204 176.588 176.870 -0.130 0.000 1.018 139 L CA -0.875 53.902 54.840 -0.105 0.000 0.811 139 L CB 1.354 43.297 42.059 -0.194 0.000 1.271 139 L HN 0.664 nan 8.230 nan 0.000 0.443 140 L N 2.153 123.245 121.223 -0.218 0.000 2.483 140 L HA 0.013 4.357 4.340 0.006 0.000 0.276 140 L C 0.747 177.528 176.870 -0.150 0.000 1.213 140 L CA 0.257 54.907 54.840 -0.318 0.000 0.843 140 L CB -0.106 41.763 42.059 -0.317 0.000 1.107 140 L HN 0.722 nan 8.230 nan 0.000 0.487 141 N N 1.342 120.001 118.700 -0.068 0.000 2.780 141 N HA -0.194 4.550 4.740 0.006 0.000 0.248 141 N C -0.930 174.596 175.510 0.027 0.000 1.102 141 N CA 1.008 54.092 53.050 0.057 0.000 0.697 141 N CB -0.748 37.744 38.487 0.008 0.000 1.028 141 N HN 0.781 nan 8.380 nan 0.000 0.554 142 D N -0.908 119.510 120.400 0.029 0.000 2.661 142 D HA 0.265 4.909 4.640 0.006 0.000 0.228 142 D C 1.134 177.472 176.300 0.063 0.000 1.183 142 D CA -0.591 53.441 54.000 0.053 0.000 0.844 142 D CB 0.985 41.823 40.800 0.065 0.000 1.555 142 D HN 0.102 nan 8.370 nan 0.000 0.453 143 K N 0.986 121.396 120.400 0.018 0.000 2.209 143 K HA -0.188 4.136 4.320 0.006 0.000 0.204 143 K C 0.712 177.243 176.600 -0.115 0.000 1.048 143 K CA 1.351 57.597 56.287 -0.069 0.000 0.940 143 K CB -0.289 32.111 32.500 -0.168 0.000 0.729 143 K HN 0.473 nan 8.250 nan 0.000 0.451 144 H N 1.094 120.170 119.070 0.010 0.000 2.561 144 H HA -0.002 4.556 4.556 0.003 0.000 0.278 144 H C 2.016 177.360 175.328 0.027 0.000 1.014 144 H CA 1.266 57.312 56.048 -0.003 0.000 1.211 144 H CB 0.179 29.919 29.762 -0.036 0.000 1.365 144 H HN 0.504 nan 8.280 nan 0.000 0.594 145 S N -0.208 115.571 115.700 0.131 0.000 2.561 145 S HA -0.097 4.377 4.470 0.006 0.000 0.225 145 S C 1.068 175.774 174.600 0.176 0.000 0.977 145 S CA -0.283 57.999 58.200 0.137 0.000 0.926 145 S CB -0.266 62.983 63.200 0.080 0.000 0.769 145 S HN 0.261 nan 8.310 nan 0.000 0.533 146 N N 2.545 121.320 118.700 0.125 0.000 2.236 146 N HA 0.030 4.774 4.740 0.006 0.000 0.274 146 N C 1.074 176.643 175.510 0.098 0.000 1.339 146 N CA 0.733 53.841 53.050 0.097 0.000 0.845 146 N CB 0.539 39.050 38.487 0.040 0.000 1.091 146 N HN 0.397 nan 8.380 nan 0.000 0.489 147 G N 1.726 110.581 108.800 0.091 0.000 2.572 147 G HA2 -0.200 3.763 3.960 0.006 0.000 0.216 147 G HA3 -0.200 3.763 3.960 0.006 0.000 0.216 147 G C 1.368 176.299 174.900 0.051 0.000 1.133 147 G CA 1.011 46.159 45.100 0.079 0.000 0.791 147 G HN 0.703 nan 8.290 nan 0.000 0.538 148 T N -0.384 114.193 114.554 0.038 0.000 2.946 148 T HA -0.047 4.307 4.350 0.006 0.000 0.271 148 T C 1.120 175.845 174.700 0.041 0.000 1.104 148 T CA 0.448 62.565 62.100 0.027 0.000 1.114 148 T CB -0.626 68.253 68.868 0.018 0.000 0.867 148 T HN -0.013 nan 8.240 nan 0.000 0.513 149 V N 2.644 122.600 119.914 0.070 0.000 2.584 149 V HA 0.049 4.173 4.120 0.006 0.000 0.303 149 V C 0.876 177.008 176.094 0.063 0.000 1.035 149 V CA -0.379 61.981 62.300 0.100 0.000 1.172 149 V CB -0.314 31.605 31.823 0.160 0.000 0.896 149 V HN 0.492 nan 8.190 nan 0.000 0.486 150 K N 3.543 123.963 120.400 0.034 0.000 2.518 150 K HA -0.033 4.290 4.320 0.006 0.000 0.276 150 K C 0.627 177.212 176.600 -0.024 0.000 0.974 150 K CA -0.126 56.148 56.287 -0.021 0.000 0.986 150 K CB 0.329 32.790 32.500 -0.066 0.000 0.901 150 K HN 0.605 nan 8.250 nan 0.000 0.497 151 D N 1.538 121.905 120.400 -0.056 0.000 2.123 151 D HA -0.113 4.531 4.640 0.006 0.000 0.196 151 D C 0.252 176.491 176.300 -0.101 0.000 0.992 151 D CA 1.444 55.419 54.000 -0.042 0.000 0.833 151 D CB 0.175 40.949 40.800 -0.044 0.000 0.954 151 D HN 0.305 nan 8.370 nan 0.000 0.455 152 R N 0.675 120.985 120.500 -0.316 0.000 3.570 152 R HA 0.257 4.601 4.340 0.006 0.000 0.233 152 R C -0.217 175.861 176.300 -0.369 0.000 1.492 152 R CA -0.211 55.463 56.100 -0.711 0.000 1.504 152 R CB 0.463 29.920 30.300 -1.406 0.000 1.314 152 R HN 0.068 nan 8.270 nan 0.000 0.687 153 S N 0.129 115.785 115.700 -0.074 0.000 2.651 153 S HA 0.424 4.898 4.470 0.006 0.000 0.291 153 S C -1.591 172.986 174.600 -0.039 0.000 1.141 153 S CA -1.419 56.736 58.200 -0.075 0.000 1.027 153 S CB 1.754 64.935 63.200 -0.032 0.000 1.043 153 S HN 0.155 nan 8.310 nan 0.000 0.530 154 P HA 0.011 nan 4.420 nan 0.000 0.237 154 P C 0.228 177.393 177.300 -0.225 0.000 1.178 154 P CA 0.751 63.703 63.100 -0.248 0.000 0.766 154 P CB -0.258 31.239 31.700 -0.338 0.000 0.876 155 Y N -0.423 119.947 120.300 0.117 0.000 2.523 155 Y HA 0.192 4.745 4.550 0.005 0.000 0.279 155 Y C 1.541 177.501 175.900 0.100 0.000 1.139 155 Y CA -0.511 57.646 58.100 0.095 0.000 1.296 155 Y CB -0.621 37.890 38.460 0.084 0.000 1.045 155 Y HN -0.184 nan 8.280 nan 0.000 0.538 156 R N 1.292 121.921 120.500 0.215 0.000 2.438 156 R HA 0.310 4.654 4.340 0.006 0.000 0.287 156 R C 0.036 176.410 176.300 0.124 0.000 1.077 156 R CA 0.227 56.437 56.100 0.184 0.000 1.034 156 R CB 0.570 31.006 30.300 0.227 0.000 0.993 156 R HN 0.178 nan 8.270 nan 0.000 0.459 157 T N 0.284 114.872 114.554 0.057 0.000 2.900 157 T HA 0.380 4.734 4.350 0.006 0.000 0.295 157 T C -0.759 173.838 174.700 -0.171 0.000 1.044 157 T CA -0.974 61.117 62.100 -0.015 0.000 0.995 157 T CB 1.512 70.439 68.868 0.099 0.000 1.072 157 T HN 0.285 nan 8.240 nan 0.000 0.473 158 L N 2.843 123.896 121.223 -0.283 0.000 2.265 158 L HA 0.696 5.040 4.340 0.006 0.000 0.288 158 L C -0.623 175.873 176.870 -0.624 0.000 1.058 158 L CA -0.257 54.357 54.840 -0.377 0.000 0.809 158 L CB 0.271 42.171 42.059 -0.264 0.000 1.179 158 L HN 0.810 nan 8.230 nan 0.000 0.429 159 M N 3.275 122.350 119.600 -0.876 0.000 2.727 159 M HA 0.658 5.141 4.480 0.006 0.000 0.300 159 M C -0.521 175.003 176.300 -1.293 0.000 1.246 159 M CA -0.704 53.977 55.300 -1.031 0.000 0.835 159 M CB 2.506 34.498 32.600 -1.013 0.000 1.755 159 M HN 0.674 nan 8.290 nan 0.000 0.473 160 S N 0.086 115.195 115.700 -0.984 0.000 2.564 160 S HA 0.886 5.360 4.470 0.006 0.000 0.274 160 S C -0.907 173.417 174.600 -0.459 0.000 1.124 160 S CA -0.850 56.763 58.200 -0.979 0.000 0.869 160 S CB 1.750 63.985 63.200 -1.608 0.000 1.105 160 S HN 1.076 nan 8.310 nan 0.000 0.472 161 C N -1.234 117.891 119.300 -0.291 0.000 3.236 161 C HA 0.883 5.347 4.460 0.006 0.000 0.312 161 C C -3.208 171.662 174.990 -0.200 0.000 1.374 161 C CA -2.135 56.801 59.018 -0.138 0.000 1.455 161 C CB 0.575 28.336 27.740 0.036 0.000 1.834 161 C HN 0.669 nan 8.230 nan 0.000 0.460 162 P HA 0.180 nan 4.420 nan 0.000 0.269 162 P C -0.199 177.020 177.300 -0.136 0.000 1.209 162 P CA 0.084 63.106 63.100 -0.131 0.000 0.776 162 P CB 0.368 32.012 31.700 -0.093 0.000 0.876 163 V N 3.152 122.986 119.914 -0.133 0.000 2.617 163 V HA 0.164 4.287 4.120 0.006 0.000 0.304 163 V C 1.689 177.689 176.094 -0.157 0.000 1.040 163 V CA 2.205 64.418 62.300 -0.145 0.000 1.149 163 V CB -0.548 31.203 31.823 -0.120 0.000 0.914 163 V HN 1.049 nan 8.190 nan 0.000 0.487 164 G N 3.700 112.409 108.800 -0.152 0.000 2.176 164 G HA2 -0.197 3.767 3.960 0.006 0.000 0.253 164 G HA3 -0.197 3.767 3.960 0.006 0.000 0.253 164 G C 0.019 174.849 174.900 -0.116 0.000 0.979 164 G CA 0.173 45.186 45.100 -0.144 0.000 0.641 164 G HN 0.679 nan 8.290 nan 0.000 0.530 165 E N 0.539 120.671 120.200 -0.114 0.000 2.231 165 E HA 0.615 4.969 4.350 0.006 0.000 0.277 165 E C 0.642 177.172 176.600 -0.116 0.000 0.999 165 E CA -0.225 56.116 56.400 -0.099 0.000 0.827 165 E CB 1.486 31.136 29.700 -0.084 0.000 1.101 165 E HN 0.628 nan 8.360 nan 0.000 0.393 166 A N 4.274 127.030 122.820 -0.108 0.000 2.540 166 A HA 0.150 4.474 4.320 0.006 0.000 0.239 166 A C -2.038 175.445 177.584 -0.168 0.000 1.061 166 A CA -0.979 50.975 52.037 -0.138 0.000 0.758 166 A CB -0.342 18.588 19.000 -0.117 0.000 0.991 166 A HN 0.332 nan 8.150 nan 0.000 0.502 167 P HA 0.181 nan 4.420 nan 0.000 0.279 167 P C -0.279 176.949 177.300 -0.120 0.000 1.318 167 P CA 0.144 63.078 63.100 -0.275 0.000 0.819 167 P CB 0.771 31.936 31.700 -0.890 0.000 0.927 168 S N 3.209 118.849 115.700 -0.100 0.000 4.094 168 S HA 0.263 4.736 4.470 0.006 0.000 0.236 168 S C 0.229 174.584 174.600 -0.408 0.000 1.056 168 S CA -0.437 57.499 58.200 -0.439 0.000 1.564 168 S CB -0.479 62.462 63.200 -0.432 0.000 1.097 168 S HN 0.286 nan 8.310 nan 0.000 0.734 169 Y N 2.692 122.948 120.300 -0.074 0.000 4.758 169 Y HA -0.272 4.281 4.550 0.005 0.000 0.235 169 Y C 1.273 177.160 175.900 -0.022 0.000 0.956 169 Y CA 1.335 59.407 58.100 -0.047 0.000 2.043 169 Y CB -2.092 36.325 38.460 -0.071 0.000 1.508 169 Y HN 0.828 nan 8.280 nan 0.000 0.525 170 N N -1.779 116.972 118.700 0.086 0.000 2.160 170 N HA 0.149 4.893 4.740 0.006 0.000 0.226 170 N C -0.535 175.006 175.510 0.051 0.000 1.256 170 N CA 0.356 53.438 53.050 0.055 0.000 0.890 170 N CB 0.415 38.915 38.487 0.021 0.000 1.116 170 N HN 0.087 nan 8.380 nan 0.000 0.517 171 S N 0.691 116.456 115.700 0.109 0.000 2.451 171 S HA 0.376 4.850 4.470 0.006 0.000 0.301 171 S C -0.352 174.275 174.600 0.045 0.000 1.116 171 S CA -0.737 57.537 58.200 0.123 0.000 1.093 171 S CB 2.169 65.596 63.200 0.379 0.000 1.017 171 S HN 0.280 nan 8.310 nan 0.000 0.482 172 R N 1.851 122.302 120.500 -0.081 0.000 2.357 172 R HA 0.332 4.676 4.340 0.006 0.000 0.296 172 R C -0.749 175.476 176.300 -0.126 0.000 1.052 172 R CA -0.481 55.562 56.100 -0.095 0.000 0.988 172 R CB 0.412 30.598 30.300 -0.190 0.000 1.025 172 R HN 0.587 nan 8.270 nan 0.000 0.469 173 F N 3.679 123.541 119.950 -0.147 0.000 2.443 173 F HA 0.138 4.669 4.527 0.008 0.000 0.353 173 F C 0.504 176.208 175.800 -0.159 0.000 1.101 173 F CA 0.185 58.088 58.000 -0.160 0.000 1.226 173 F CB 1.058 40.002 39.000 -0.094 0.000 1.140 173 F HN 0.656 nan 8.300 nan 0.000 0.557 174 E N 2.410 121.887 120.200 -1.205 0.000 2.279 174 E HA 0.154 4.508 4.350 0.006 0.000 0.199 174 E C -0.160 175.851 176.600 -0.981 0.000 0.893 174 E CA 0.255 56.166 56.400 -0.815 0.000 0.978 174 E CB 0.620 30.049 29.700 -0.452 0.000 0.964 174 E HN 0.470 nan 8.360 nan 0.000 0.486 175 S N -0.231 114.727 115.700 -1.237 0.000 2.567 175 S HA 0.349 4.822 4.470 0.006 0.000 0.270 175 S C -1.392 173.043 174.600 -0.275 0.000 1.152 175 S CA -0.619 57.268 58.200 -0.521 0.000 0.835 175 S CB 1.653 64.695 63.200 -0.262 0.000 1.115 175 S HN -0.075 nan 8.310 nan 0.000 0.459 176 V N 2.448 122.400 119.914 0.063 0.000 2.461 176 V HA 0.794 4.918 4.120 0.006 0.000 0.275 176 V C 0.363 176.415 176.094 -0.070 0.000 1.047 176 V CA 0.315 62.664 62.300 0.081 0.000 0.955 176 V CB 0.349 32.243 31.823 0.118 0.000 0.988 176 V HN 1.052 nan 8.190 nan 0.000 0.471 177 A N 5.405 128.180 122.820 -0.075 0.000 2.565 177 A HA 0.573 4.897 4.320 0.006 0.000 0.298 177 A C -0.350 177.230 177.584 -0.007 0.000 1.062 177 A CA -0.712 51.228 52.037 -0.162 0.000 0.723 177 A CB 1.035 19.954 19.000 -0.135 0.000 1.282 177 A HN 1.021 nan 8.150 nan 0.000 0.400 178 W N 1.439 122.752 121.300 0.022 0.000 3.008 178 W HA 0.540 5.203 4.660 0.005 0.000 0.355 178 W C -0.015 176.537 176.519 0.055 0.000 1.095 178 W CA 0.320 57.686 57.345 0.036 0.000 1.738 178 W CB 0.177 29.652 29.460 0.025 0.000 1.091 178 W HN 0.861 nan 8.180 nan 0.000 0.574 179 S N 0.871 116.658 115.700 0.146 0.000 2.537 179 S HA 0.733 5.207 4.470 0.006 0.000 0.270 179 S C -1.189 173.423 174.600 0.021 0.000 1.142 179 S CA -0.051 58.255 58.200 0.177 0.000 0.870 179 S CB 1.494 64.846 63.200 0.254 0.000 1.112 179 S HN 0.389 nan 8.310 nan 0.000 0.466 180 A N 1.942 124.805 122.820 0.072 0.000 2.610 180 A HA 0.923 5.247 4.320 0.006 0.000 0.291 180 A C -0.708 176.866 177.584 -0.017 0.000 1.086 180 A CA -0.526 51.534 52.037 0.039 0.000 0.677 180 A CB 1.480 20.541 19.000 0.102 0.000 1.278 180 A HN 1.110 nan 8.150 nan 0.000 0.414 181 S N -1.287 114.391 115.700 -0.037 0.000 2.607 181 S HA 0.919 5.393 4.470 0.006 0.000 0.273 181 S C -1.111 173.472 174.600 -0.028 0.000 1.148 181 S CA 0.255 58.370 58.200 -0.143 0.000 0.833 181 S CB 1.757 64.894 63.200 -0.104 0.000 1.130 181 S HN 2.492 nan 8.310 nan 0.000 0.470 182 A N 0.736 123.534 122.820 -0.038 0.000 2.604 182 A HA 0.824 5.148 4.320 0.006 0.000 0.295 182 A C -0.850 176.799 177.584 0.108 0.000 1.067 182 A CA -0.323 51.661 52.037 -0.088 0.000 0.683 182 A CB 0.472 19.022 19.000 -0.750 0.000 1.281 182 A HN 2.048 nan 8.150 nan 0.000 0.407 183 c N -0.021 118.746 118.600 0.279 0.000 3.307 183 c HA 0.819 5.393 4.570 0.006 0.000 0.333 183 c C -0.960 173.294 174.090 0.273 0.000 1.291 183 c CA -0.733 55.806 56.329 0.350 0.000 1.273 183 c CB 0.974 43.621 42.510 0.229 0.000 1.580 183 c HN 1.152 nan 8.230 nan 0.000 0.481 184 H N 1.403 120.396 119.070 -0.128 0.000 2.469 184 H HA 0.391 4.950 4.556 0.006 0.000 0.342 184 H C -0.221 175.015 175.328 -0.154 0.000 1.115 184 H CA 0.353 56.153 56.048 -0.412 0.000 1.204 184 H CB 2.151 31.283 29.762 -1.050 0.000 1.492 184 H HN 0.963 nan 8.280 nan 0.000 0.499 185 D N 2.210 122.493 120.400 -0.196 0.000 2.339 185 D HA 0.108 4.752 4.640 0.006 0.000 0.217 185 D C 1.391 177.685 176.300 -0.010 0.000 1.050 185 D CA 0.667 54.645 54.000 -0.036 0.000 0.856 185 D CB 0.422 41.217 40.800 -0.008 0.000 0.922 185 D HN 0.890 nan 8.370 nan 0.000 0.518 186 G N 0.242 109.092 108.800 0.083 0.000 2.284 186 G HA2 -0.297 3.667 3.960 0.006 0.000 0.216 186 G HA3 -0.297 3.667 3.960 0.006 0.000 0.216 186 G C 1.029 175.840 174.900 -0.149 0.000 1.009 186 G CA 0.354 45.444 45.100 -0.015 0.000 0.625 186 G HN 0.331 nan 8.290 nan 0.000 0.501 187 M N 0.082 119.576 119.600 -0.177 0.000 2.638 187 M HA 0.445 4.928 4.480 0.006 0.000 0.256 187 M C 1.108 177.238 176.300 -0.284 0.000 1.282 187 M CA 1.291 56.514 55.300 -0.128 0.000 1.155 187 M CB 1.414 34.008 32.600 -0.010 0.000 1.345 187 M HN 0.645 nan 8.290 nan 0.000 0.523 188 G N -0.860 107.493 108.800 -0.745 0.000 2.576 188 G HA2 0.408 4.372 3.960 0.006 0.000 0.290 188 G HA3 0.408 4.372 3.960 0.006 0.000 0.290 188 G C -2.399 171.847 174.900 -1.090 0.000 1.442 188 G CA -0.858 43.675 45.100 -0.946 0.000 0.792 188 G HN 0.183 nan 8.290 nan 0.000 0.491 189 W N 0.126 121.108 121.300 -0.530 0.000 2.287 189 W HA 0.523 5.188 4.660 0.007 0.000 0.313 189 W C 0.221 176.621 176.519 -0.198 0.000 1.267 189 W CA -0.379 56.849 57.345 -0.194 0.000 1.201 189 W CB 1.540 31.021 29.460 0.035 0.000 1.196 189 W HN 0.383 nan 8.180 nan 0.000 0.536 190 L N 5.455 126.836 121.223 0.263 0.000 2.275 190 L HA 0.586 4.930 4.340 0.006 0.000 0.288 190 L C 0.216 177.193 176.870 0.179 0.000 1.046 190 L CA -0.022 54.968 54.840 0.249 0.000 0.805 190 L CB 0.645 42.829 42.059 0.209 0.000 1.193 190 L HN 0.401 nan 8.230 nan 0.000 0.426 191 T N 3.096 117.708 114.554 0.097 0.000 2.887 191 T HA 0.740 5.094 4.350 0.006 0.000 0.288 191 T C -0.301 174.396 174.700 -0.005 0.000 1.021 191 T CA -0.588 61.514 62.100 0.003 0.000 1.000 191 T CB 1.300 70.140 68.868 -0.046 0.000 1.034 191 T HN 0.473 nan 8.240 nan 0.000 0.467 192 I N 1.625 122.178 120.570 -0.028 0.000 2.447 192 I HA 0.613 4.786 4.170 0.006 0.000 0.287 192 I C 0.261 176.337 176.117 -0.067 0.000 1.023 192 I CA -0.833 60.445 61.300 -0.037 0.000 1.083 192 I CB 2.009 39.995 38.000 -0.024 0.000 1.245 192 I HN 0.992 nan 8.210 nan 0.000 0.434 193 G N 7.230 115.971 108.800 -0.098 0.000 2.683 193 G HA2 0.712 4.676 3.960 0.006 0.000 0.299 193 G HA3 0.712 4.676 3.960 0.006 0.000 0.299 193 G C -0.905 173.859 174.900 -0.227 0.000 1.432 193 G CA -0.381 44.630 45.100 -0.149 0.000 0.978 193 G HN 0.456 nan 8.290 nan 0.000 0.513 194 I N 2.019 122.371 120.570 -0.363 0.000 2.336 194 I HA 0.499 4.672 4.170 0.006 0.000 0.292 194 I C 0.428 175.909 176.117 -1.060 0.000 0.991 194 I CA -0.206 60.731 61.300 -0.604 0.000 1.227 194 I CB 1.749 39.356 38.000 -0.656 0.000 1.366 194 I HN 0.456 nan 8.210 nan 0.000 0.466 195 S N 3.442 118.671 115.700 -0.784 0.000 2.806 195 S HA 0.967 5.440 4.470 0.006 0.000 0.306 195 S C -0.361 174.113 174.600 -0.211 0.000 1.167 195 S CA 0.158 57.931 58.200 -0.713 0.000 0.847 195 S CB 1.786 64.817 63.200 -0.283 0.000 1.216 195 S HN 1.125 nan 8.310 nan 0.000 0.532 196 G N 1.264 110.142 108.800 0.130 0.000 2.592 196 G HA2 0.009 3.973 3.960 0.006 0.000 0.684 196 G HA3 0.009 3.973 3.960 0.006 0.000 0.684 196 G C -3.326 171.781 174.900 0.344 0.000 1.291 196 G CA -0.492 44.715 45.100 0.178 0.000 0.891 196 G HN 0.647 nan 8.290 nan 0.000 0.544 197 P HA 0.314 nan 4.420 nan 0.000 0.274 197 P C 0.048 177.439 177.300 0.151 0.000 1.237 197 P CA -0.123 63.057 63.100 0.133 0.000 0.793 197 P CB 0.753 32.491 31.700 0.063 0.000 0.977 198 D N 0.845 121.270 120.400 0.040 0.000 2.182 198 D HA -0.161 4.482 4.640 0.006 0.000 0.201 198 D C 1.331 177.641 176.300 0.016 0.000 0.986 198 D CA 1.527 55.526 54.000 -0.001 0.000 0.847 198 D CB -0.543 40.203 40.800 -0.090 0.000 0.942 198 D HN 0.520 nan 8.370 nan 0.000 0.467 199 N N -0.508 118.197 118.700 0.008 0.000 2.383 199 N HA 0.085 4.829 4.740 0.006 0.000 0.192 199 N C 0.787 176.299 175.510 0.004 0.000 1.141 199 N CA 0.472 53.518 53.050 -0.008 0.000 0.851 199 N CB 0.453 38.932 38.487 -0.014 0.000 0.976 199 N HN 0.092 nan 8.380 nan 0.000 0.465 200 G N -1.210 107.612 108.800 0.035 0.000 5.648 200 G HA2 0.472 4.436 3.960 0.006 0.000 0.192 200 G HA3 0.472 4.436 3.960 0.006 0.000 0.192 200 G C -0.305 174.629 174.900 0.057 0.000 0.694 200 G CA -0.083 45.038 45.100 0.034 0.000 0.654 200 G HN 0.480 nan 8.290 nan 0.000 0.324 201 A N -0.037 122.840 122.820 0.095 0.000 2.520 201 A HA 0.608 4.932 4.320 0.006 0.000 0.235 201 A C 0.067 177.650 177.584 -0.002 0.000 1.065 201 A CA 0.314 52.407 52.037 0.093 0.000 0.764 201 A CB 0.866 19.986 19.000 0.199 0.000 1.002 201 A HN 0.857 nan 8.150 nan 0.000 0.502 202 V N 1.401 121.276 119.914 -0.065 0.000 2.531 202 V HA 0.569 4.693 4.120 0.006 0.000 0.301 202 V C 0.459 176.480 176.094 -0.122 0.000 1.034 202 V CA -0.252 62.012 62.300 -0.060 0.000 0.865 202 V CB 1.540 33.342 31.823 -0.034 0.000 0.995 202 V HN 1.226 nan 8.190 nan 0.000 0.424 203 A N 4.848 127.618 122.820 -0.084 0.000 2.309 203 A HA 0.667 4.991 4.320 0.006 0.000 0.290 203 A C -0.352 177.194 177.584 -0.063 0.000 1.206 203 A CA -0.264 51.717 52.037 -0.094 0.000 0.850 203 A CB 0.502 19.473 19.000 -0.047 0.000 1.118 203 A HN 0.694 nan 8.150 nan 0.000 0.523 204 V N 4.567 124.436 119.914 -0.075 0.000 2.383 204 V HA 0.256 4.380 4.120 0.006 0.000 0.275 204 V C -0.395 175.679 176.094 -0.032 0.000 1.036 204 V CA -0.291 61.983 62.300 -0.043 0.000 0.889 204 V CB 0.845 32.646 31.823 -0.037 0.000 0.985 204 V HN 0.711 nan 8.190 nan 0.000 0.459 205 L N 6.405 127.620 121.223 -0.013 0.000 2.289 205 L HA 0.540 4.884 4.340 0.006 0.000 0.285 205 L C 0.178 177.066 176.870 0.031 0.000 1.049 205 L CA 0.131 54.974 54.840 0.004 0.000 0.804 205 L CB 1.183 43.242 42.059 0.000 0.000 1.195 205 L HN 0.533 nan 8.230 nan 0.000 0.428 206 K N 2.640 123.072 120.400 0.053 0.000 2.316 206 K HA 0.513 4.837 4.320 0.006 0.000 0.251 206 K C -1.669 175.034 176.600 0.172 0.000 0.934 206 K CA -0.838 55.502 56.287 0.089 0.000 0.802 206 K CB 2.472 35.005 32.500 0.055 0.000 1.171 206 K HN 0.366 nan 8.250 nan 0.000 0.426 207 Y N 2.415 122.731 120.300 0.027 0.000 2.361 207 Y HA 0.179 4.732 4.550 0.006 0.000 0.337 207 Y C -0.400 175.533 175.900 0.054 0.000 0.965 207 Y CA -0.687 57.434 58.100 0.035 0.000 1.091 207 Y CB 1.014 39.472 38.460 -0.002 0.000 1.182 207 Y HN 0.729 nan 8.280 nan 0.000 0.450 208 N N 4.049 122.586 118.700 -0.271 0.000 2.735 208 N HA -0.211 4.532 4.740 0.006 0.000 0.248 208 N C 0.950 176.468 175.510 0.013 0.000 1.083 208 N CA 1.637 54.614 53.050 -0.122 0.000 0.703 208 N CB -1.257 37.149 38.487 -0.134 0.000 1.005 208 N HN 1.386 nan 8.380 nan 0.000 0.550 209 G N -1.613 107.210 108.800 0.039 0.000 2.184 209 G HA2 -0.316 3.648 3.960 0.006 0.000 0.264 209 G HA3 -0.316 3.648 3.960 0.006 0.000 0.264 209 G C 0.043 174.982 174.900 0.065 0.000 0.975 209 G CA 0.542 45.672 45.100 0.051 0.000 0.642 209 G HN 0.432 nan 8.290 nan 0.000 0.536 210 I N 1.458 122.073 120.570 0.075 0.000 2.359 210 I HA 0.411 4.585 4.170 0.006 0.000 0.294 210 I C 1.196 177.359 176.117 0.077 0.000 0.987 210 I CA -1.620 59.725 61.300 0.075 0.000 1.225 210 I CB 1.259 39.307 38.000 0.079 0.000 1.366 210 I HN 0.009 nan 8.210 nan 0.000 0.466 211 I N 5.738 126.343 120.570 0.058 0.000 2.668 211 I HA -0.052 4.121 4.170 0.006 0.000 0.285 211 I C 1.276 177.418 176.117 0.041 0.000 1.168 211 I CA 0.525 61.853 61.300 0.045 0.000 1.424 211 I CB 0.558 38.577 38.000 0.032 0.000 1.377 211 I HN 0.739 nan 8.210 nan 0.000 0.560 212 T N -0.342 114.234 114.554 0.036 0.000 2.958 212 T HA 0.254 4.608 4.350 0.006 0.000 0.256 212 T C 0.096 174.792 174.700 -0.007 0.000 0.983 212 T CA -0.251 61.860 62.100 0.017 0.000 0.924 212 T CB 0.544 69.424 68.868 0.020 0.000 1.136 212 T HN 0.565 nan 8.240 nan 0.000 0.506 213 D N 0.630 121.027 120.400 -0.005 0.000 2.742 213 D HA 0.423 5.067 4.640 0.006 0.000 0.262 213 D C -1.478 174.815 176.300 -0.012 0.000 1.240 213 D CA -0.085 53.906 54.000 -0.016 0.000 0.752 213 D CB 1.947 42.729 40.800 -0.031 0.000 1.290 213 D HN 0.296 nan 8.370 nan 0.000 0.420 214 T N -1.086 113.461 114.554 -0.013 0.000 2.903 214 T HA 0.828 5.182 4.350 0.006 0.000 0.299 214 T C -0.495 174.202 174.700 -0.005 0.000 1.093 214 T CA -0.678 61.416 62.100 -0.011 0.000 1.002 214 T CB 1.067 69.931 68.868 -0.008 0.000 1.127 214 T HN 0.303 nan 8.240 nan 0.000 0.488 215 I N 1.296 121.869 120.570 0.005 0.000 2.500 215 I HA 0.453 4.627 4.170 0.006 0.000 0.286 215 I C -0.317 175.837 176.117 0.061 0.000 1.063 215 I CA -0.860 60.461 61.300 0.034 0.000 1.062 215 I CB 2.243 40.270 38.000 0.046 0.000 1.223 215 I HN 0.625 nan 8.210 nan 0.000 0.435 216 K N 3.653 124.102 120.400 0.082 0.000 2.110 216 K HA 0.402 4.725 4.320 0.006 0.000 0.263 216 K C 0.207 176.906 176.600 0.165 0.000 0.975 216 K CA -0.394 55.945 56.287 0.088 0.000 0.895 216 K CB 1.594 34.131 32.500 0.062 0.000 1.060 216 K HN 0.564 nan 8.250 nan 0.000 0.448 217 S N 3.031 118.784 115.700 0.088 0.000 2.626 217 S HA -0.098 4.375 4.470 0.006 0.000 0.303 217 S C 0.520 175.166 174.600 0.076 0.000 1.256 217 S CA 0.249 58.446 58.200 -0.005 0.000 1.069 217 S CB 0.068 63.230 63.200 -0.064 0.000 0.807 217 S HN 0.697 nan 8.310 nan 0.000 0.500 218 W N 5.519 126.808 121.300 -0.019 0.000 3.107 218 W HA 0.476 5.140 4.660 0.006 0.000 0.293 218 W C 1.216 177.715 176.519 -0.032 0.000 1.239 218 W CA -0.512 56.816 57.345 -0.028 0.000 1.653 218 W CB 0.211 29.647 29.460 -0.039 0.000 1.068 218 W HN 0.480 nan 8.180 nan 0.000 0.615 219 R N 1.142 121.340 120.500 -0.503 0.000 2.476 219 R HA 0.078 4.422 4.340 0.006 0.000 0.276 219 R C -0.003 176.164 176.300 -0.221 0.000 0.941 219 R CA 0.061 55.962 56.100 -0.333 0.000 1.088 219 R CB -0.791 29.238 30.300 -0.452 0.000 1.216 219 R HN 0.143 nan 8.270 nan 0.000 0.533 220 N N 1.832 120.417 118.700 -0.191 0.000 2.721 220 N HA -0.215 4.529 4.740 0.006 0.000 0.249 220 N C -0.588 174.855 175.510 -0.112 0.000 1.072 220 N CA 0.924 53.907 53.050 -0.111 0.000 0.710 220 N CB -1.392 37.057 38.487 -0.063 0.000 0.993 220 N HN 0.250 nan 8.380 nan 0.000 0.547 221 N N 0.584 119.192 118.700 -0.154 0.000 2.732 221 N HA 0.270 5.013 4.740 0.006 0.000 0.235 221 N C -0.467 174.978 175.510 -0.108 0.000 1.466 221 N CA -0.377 52.599 53.050 -0.123 0.000 0.751 221 N CB -0.202 38.203 38.487 -0.136 0.000 1.317 221 N HN 0.289 nan 8.380 nan 0.000 0.525 222 I N 0.474 121.020 120.570 -0.041 0.000 6.963 222 I HA -0.315 3.859 4.170 0.006 0.000 0.126 222 I C -0.167 175.998 176.117 0.081 0.000 1.830 222 I CA -0.037 61.294 61.300 0.051 0.000 2.046 222 I CB -0.824 37.158 38.000 -0.031 0.000 3.568 222 I HN 0.334 nan 8.210 nan 0.000 0.172 223 L N 6.075 127.334 121.223 0.060 0.000 2.578 223 L HA 0.265 4.609 4.340 0.006 0.000 0.279 223 L C 0.838 177.797 176.870 0.148 0.000 1.227 223 L CA 1.008 55.838 54.840 -0.017 0.000 0.900 223 L CB 0.197 42.226 42.059 -0.050 0.000 1.144 223 L HN 0.555 nan 8.230 nan 0.000 0.496 224 R N 2.409 122.975 120.500 0.109 0.000 2.692 224 R HA 0.667 5.011 4.340 0.006 0.000 0.269 224 R C -1.050 175.329 176.300 0.131 0.000 1.030 224 R CA -0.745 55.461 56.100 0.177 0.000 0.882 224 R CB 1.392 31.838 30.300 0.243 0.000 1.250 224 R HN 0.555 nan 8.270 nan 0.000 0.465 225 T N -1.126 113.504 114.554 0.126 0.000 2.565 225 T HA 0.185 4.538 4.350 0.006 0.000 0.266 225 T C 0.498 175.257 174.700 0.097 0.000 0.905 225 T CA -0.364 61.795 62.100 0.098 0.000 1.122 225 T CB 1.501 70.403 68.868 0.057 0.000 1.437 225 T HN 0.651 nan 8.240 nan 0.000 0.506 226 Q N 0.181 120.013 119.800 0.054 0.000 2.084 226 Q HA -0.035 4.309 4.340 0.006 0.000 0.202 226 Q C -0.136 175.897 176.000 0.056 0.000 0.978 226 Q CA 1.336 57.167 55.803 0.046 0.000 0.844 226 Q CB 0.022 28.759 28.738 -0.002 0.000 0.898 226 Q HN 0.619 nan 8.270 nan 0.000 0.426 227 E N -0.104 120.098 120.200 0.003 0.000 2.637 227 E HA -0.180 4.174 4.350 0.006 0.000 0.265 227 E C -0.396 176.117 176.600 -0.145 0.000 1.073 227 E CA 1.173 57.600 56.400 0.045 0.000 0.778 227 E CB -2.298 27.600 29.700 0.329 0.000 1.362 227 E HN 0.476 nan 8.360 nan 0.000 0.413 228 S N -1.722 113.631 115.700 -0.577 0.000 2.703 228 S HA 0.453 4.927 4.470 0.006 0.000 0.273 228 S C -0.455 173.712 174.600 -0.722 0.000 1.178 228 S CA -0.673 57.124 58.200 -0.671 0.000 0.838 228 S CB 1.638 65.012 63.200 0.289 0.000 1.178 228 S HN 0.231 nan 8.310 nan 0.000 0.494 229 E N 0.251 120.372 120.200 -0.132 0.000 2.360 229 E HA 0.440 4.794 4.350 0.006 0.000 0.269 229 E C 0.546 177.213 176.600 0.111 0.000 1.022 229 E CA -0.888 55.563 56.400 0.084 0.000 0.887 229 E CB 0.093 30.017 29.700 0.374 0.000 0.990 229 E HN 0.815 nan 8.360 nan 0.000 0.426 230 c N 1.953 120.617 118.600 0.107 0.000 2.633 230 c HA 0.734 5.308 4.570 0.006 0.000 0.345 230 c C 0.613 174.834 174.090 0.218 0.000 1.384 230 c CA -0.495 55.926 56.329 0.154 0.000 2.418 230 c CB -0.161 42.423 42.510 0.124 0.000 2.425 230 c HN 0.827 nan 8.230 nan 0.000 0.705 231 A N -0.290 122.686 122.820 0.259 0.000 2.342 231 A HA 0.690 5.013 4.320 0.006 0.000 0.323 231 A C -0.630 177.147 177.584 0.321 0.000 1.125 231 A CA -0.341 51.860 52.037 0.274 0.000 0.785 231 A CB 0.484 19.622 19.000 0.230 0.000 1.221 231 A HN 1.065 nan 8.150 nan 0.000 0.463 232 c N 1.638 120.391 118.600 0.255 0.000 2.455 232 c HA 0.763 5.337 4.570 0.006 0.000 0.320 232 c C -0.269 173.957 174.090 0.226 0.000 1.226 232 c CA -0.509 55.957 56.329 0.229 0.000 1.569 232 c CB 0.828 43.419 42.510 0.135 0.000 2.200 232 c HN 0.644 nan 8.230 nan 0.000 0.491 233 V N 3.630 123.712 119.914 0.281 0.000 2.612 233 V HA 0.469 4.593 4.120 0.006 0.000 0.301 233 V C 0.106 176.311 176.094 0.185 0.000 1.059 233 V CA -0.350 62.081 62.300 0.218 0.000 0.886 233 V CB 1.577 33.532 31.823 0.220 0.000 1.007 233 V HN 0.970 nan 8.190 nan 0.000 0.426 234 N N 3.606 122.369 118.700 0.105 0.000 2.735 234 N HA -0.189 4.555 4.740 0.006 0.000 0.248 234 N C 0.995 176.534 175.510 0.048 0.000 1.083 234 N CA 1.921 55.014 53.050 0.071 0.000 0.703 234 N CB -1.037 37.499 38.487 0.083 0.000 1.005 234 N HN 1.919 nan 8.380 nan 0.000 0.550 235 G N -3.012 105.806 108.800 0.029 0.000 2.176 235 G HA2 -0.238 3.725 3.960 0.006 0.000 0.253 235 G HA3 -0.238 3.725 3.960 0.006 0.000 0.253 235 G C -0.003 174.856 174.900 -0.068 0.000 0.979 235 G CA 0.480 45.569 45.100 -0.019 0.000 0.641 235 G HN 0.819 nan 8.290 nan 0.000 0.530 236 S N -0.791 114.871 115.700 -0.064 0.000 2.532 236 S HA 0.747 5.221 4.470 0.006 0.000 0.301 236 S C 0.001 174.393 174.600 -0.346 0.000 1.083 236 S CA -0.284 57.760 58.200 -0.259 0.000 1.025 236 S CB 2.394 65.408 63.200 -0.310 0.000 1.056 236 S HN 0.621 nan 8.310 nan 0.000 0.494 237 c N 2.036 120.331 118.600 -0.509 0.000 2.614 237 c HA 0.798 5.372 4.570 0.006 0.000 0.320 237 c C -0.986 172.785 174.090 -0.530 0.000 1.200 237 c CA -0.815 55.333 56.329 -0.301 0.000 1.700 237 c CB 0.275 42.742 42.510 -0.072 0.000 2.275 237 c HN 0.836 nan 8.230 nan 0.000 0.492 238 F N 0.471 120.494 119.950 0.122 0.000 2.565 238 F HA 0.698 5.229 4.527 0.006 0.000 0.313 238 F C 0.385 176.272 175.800 0.146 0.000 1.091 238 F CA -0.320 57.773 58.000 0.156 0.000 0.915 238 F CB 2.166 41.389 39.000 0.371 0.000 1.208 238 F HN 0.560 nan 8.300 nan 0.000 0.453 239 T N 2.726 117.428 114.554 0.247 0.000 2.754 239 T HA 0.740 5.094 4.350 0.006 0.000 0.296 239 T C -1.901 172.854 174.700 0.093 0.000 1.205 239 T CA -0.548 61.651 62.100 0.165 0.000 1.009 239 T CB 1.354 70.276 68.868 0.089 0.000 1.368 239 T HN 0.349 nan 8.240 nan 0.000 0.509 240 I N 2.430 123.050 120.570 0.084 0.000 2.582 240 I HA 0.497 4.671 4.170 0.006 0.000 0.292 240 I C -0.496 175.676 176.117 0.092 0.000 1.066 240 I CA -0.717 60.612 61.300 0.049 0.000 1.053 240 I CB 1.820 39.853 38.000 0.054 0.000 1.241 240 I HN 0.693 nan 8.210 nan 0.000 0.421 241 M N 4.176 123.854 119.600 0.129 0.000 2.530 241 M HA 0.518 5.002 4.480 0.006 0.000 0.307 241 M C -0.575 175.913 176.300 0.314 0.000 1.161 241 M CA -0.499 54.932 55.300 0.218 0.000 0.903 241 M CB 2.873 35.641 32.600 0.280 0.000 1.711 241 M HN 0.455 nan 8.290 nan 0.000 0.451 242 T N 0.474 115.162 114.554 0.222 0.000 2.887 242 T HA 0.534 4.887 4.350 0.006 0.000 0.288 242 T C -1.454 173.176 174.700 -0.117 0.000 1.021 242 T CA -0.600 61.597 62.100 0.162 0.000 1.000 242 T CB 1.800 70.790 68.868 0.203 0.000 1.034 242 T HN 0.536 nan 8.240 nan 0.000 0.467 243 D N 0.120 120.315 120.400 -0.342 0.000 2.970 243 D HA 0.613 5.257 4.640 0.006 0.000 0.230 243 D C -0.046 176.008 176.300 -0.409 0.000 1.276 243 D CA 0.425 54.077 54.000 -0.580 0.000 0.910 243 D CB 1.652 41.603 40.800 -1.414 0.000 1.590 243 D HN 0.970 nan 8.370 nan 0.000 0.551 244 G N 2.758 111.399 108.800 -0.265 0.000 2.331 244 G HA2 0.025 3.988 3.960 0.006 0.000 0.402 244 G HA3 0.025 3.988 3.960 0.006 0.000 0.402 244 G C -2.953 171.890 174.900 -0.095 0.000 1.275 244 G CA -1.013 43.974 45.100 -0.188 0.000 1.003 244 G HN 0.406 nan 8.290 nan 0.000 0.500 245 P HA 0.231 nan 4.420 nan 0.000 0.267 245 P C 0.959 178.289 177.300 0.050 0.000 1.200 245 P CA 0.657 63.711 63.100 -0.076 0.000 0.772 245 P CB 0.915 32.507 31.700 -0.180 0.000 0.855 246 S N 0.358 116.076 115.700 0.030 0.000 2.575 246 S HA -0.002 4.471 4.470 0.006 0.000 0.215 246 S C 0.801 175.337 174.600 -0.107 0.000 0.966 246 S CA 0.045 58.313 58.200 0.115 0.000 0.911 246 S CB -0.740 62.522 63.200 0.103 0.000 0.780 246 S HN 0.545 nan 8.310 nan 0.000 0.514 247 N N 0.489 119.057 118.700 -0.221 0.000 2.377 247 N HA 0.411 5.154 4.740 0.006 0.000 0.259 247 N C 0.174 175.335 175.510 -0.582 0.000 1.332 247 N CA 0.102 52.990 53.050 -0.270 0.000 0.877 247 N CB 0.596 39.009 38.487 -0.123 0.000 1.299 247 N HN 0.423 nan 8.380 nan 0.000 0.501 248 G N -0.415 107.783 108.800 -1.002 0.000 2.489 248 G HA2 0.292 4.256 3.960 0.006 0.000 0.305 248 G HA3 0.292 4.256 3.960 0.006 0.000 0.305 248 G C -1.876 172.094 174.900 -1.549 0.000 1.311 248 G CA -0.783 43.257 45.100 -1.767 0.000 0.813 248 G HN 0.219 nan 8.290 nan 0.000 0.480 249 Q N 0.041 118.960 119.800 -1.468 0.000 2.300 249 Q HA 0.571 4.915 4.340 0.006 0.000 0.280 249 Q C 0.222 176.088 176.000 -0.223 0.000 1.033 249 Q CA 1.061 56.519 55.803 -0.574 0.000 0.903 249 Q CB 0.761 29.360 28.738 -0.232 0.000 1.195 249 Q HN 1.078 nan 8.270 nan 0.000 0.386 250 A N 2.948 125.747 122.820 -0.036 0.000 2.470 250 A HA 0.809 5.133 4.320 0.006 0.000 0.271 250 A C -1.000 176.181 177.584 -0.672 0.000 1.269 250 A CA -0.363 51.527 52.037 -0.245 0.000 0.828 250 A CB 1.674 20.613 19.000 -0.103 0.000 1.374 250 A HN 0.653 nan 8.150 nan 0.000 0.454 251 S N -1.086 114.215 115.700 -0.664 0.000 2.482 251 S HA 0.729 5.203 4.470 0.006 0.000 0.303 251 S C -1.872 172.426 174.600 -0.504 0.000 1.091 251 S CA -0.336 57.547 58.200 -0.529 0.000 1.057 251 S CB 0.294 63.541 63.200 0.079 0.000 1.031 251 S HN 0.457 nan 8.310 nan 0.000 0.485 252 Y N 2.422 122.827 120.300 0.175 0.000 2.391 252 Y HA 0.589 5.142 4.550 0.006 0.000 0.341 252 Y C 0.127 175.987 175.900 -0.066 0.000 0.965 252 Y CA -0.974 57.159 58.100 0.055 0.000 1.067 252 Y CB 1.501 39.880 38.460 -0.135 0.000 1.199 252 Y HN 0.454 nan 8.280 nan 0.000 0.450 253 K N 3.649 124.078 120.400 0.049 0.000 2.371 253 K HA 0.672 4.996 4.320 0.006 0.000 0.251 253 K C -1.237 175.244 176.600 -0.198 0.000 0.934 253 K CA -0.799 55.375 56.287 -0.188 0.000 0.798 253 K CB 2.742 34.997 32.500 -0.409 0.000 1.204 253 K HN 0.592 nan 8.250 nan 0.000 0.427 254 I N 3.548 123.933 120.570 -0.309 0.000 2.353 254 I HA 0.313 4.486 4.170 0.006 0.000 0.293 254 I C -0.382 175.586 176.117 -0.248 0.000 0.992 254 I CA -0.762 60.322 61.300 -0.360 0.000 1.268 254 I CB 0.747 38.332 38.000 -0.693 0.000 1.387 254 I HN 0.261 nan 8.210 nan 0.000 0.478 255 L N 6.214 127.348 121.223 -0.149 0.000 2.329 255 L HA 0.523 4.866 4.340 0.006 0.000 0.279 255 L C -0.237 176.599 176.870 -0.057 0.000 1.014 255 L CA -0.755 54.023 54.840 -0.103 0.000 0.814 255 L CB 1.769 43.781 42.059 -0.078 0.000 1.257 255 L HN 0.564 nan 8.230 nan 0.000 0.424 256 K N 4.195 124.535 120.400 -0.100 0.000 2.274 256 K HA 0.665 4.989 4.320 0.006 0.000 0.262 256 K C -1.339 175.092 176.600 -0.281 0.000 0.961 256 K CA -0.434 55.692 56.287 -0.269 0.000 0.833 256 K CB 1.263 33.704 32.500 -0.097 0.000 1.102 256 K HN 0.543 nan 8.250 nan 0.000 0.436 257 I N 3.628 123.970 120.570 -0.380 0.000 2.466 257 I HA 0.250 4.424 4.170 0.006 0.000 0.289 257 I C -0.756 175.193 176.117 -0.281 0.000 1.026 257 I CA -0.650 60.497 61.300 -0.254 0.000 1.078 257 I CB 2.109 40.002 38.000 -0.178 0.000 1.249 257 I HN 0.583 nan 8.210 nan 0.000 0.429 258 E N 6.436 126.492 120.200 -0.241 0.000 2.185 258 E HA 0.339 4.693 4.350 0.006 0.000 0.261 258 E C -0.902 175.496 176.600 -0.337 0.000 0.879 258 E CA -0.868 55.378 56.400 -0.256 0.000 0.756 258 E CB 1.447 31.029 29.700 -0.198 0.000 1.152 258 E HN 0.396 nan 8.360 nan 0.000 0.416 259 K N 1.682 121.762 120.400 -0.534 0.000 3.071 259 K HA -0.295 4.028 4.320 0.006 0.000 0.262 259 K C 0.685 176.839 176.600 -0.743 0.000 0.977 259 K CA 0.563 56.191 56.287 -1.097 0.000 0.721 259 K CB -1.711 30.315 32.500 -0.790 0.000 1.293 259 K HN 1.105 nan 8.250 nan 0.000 0.475 260 G N -0.326 108.239 108.800 -0.392 0.000 2.179 260 G HA2 -0.324 3.640 3.960 0.006 0.000 0.260 260 G HA3 -0.324 3.640 3.960 0.006 0.000 0.260 260 G C -0.120 174.718 174.900 -0.104 0.000 0.977 260 G CA 0.628 45.661 45.100 -0.111 0.000 0.641 260 G HN 0.256 nan 8.290 nan 0.000 0.533 261 K N 0.797 121.107 120.400 -0.151 0.000 2.213 261 K HA 0.536 4.859 4.320 0.006 0.000 0.270 261 K C 0.360 176.890 176.600 -0.117 0.000 1.002 261 K CA -0.719 55.500 56.287 -0.113 0.000 0.868 261 K CB 2.512 34.944 32.500 -0.113 0.000 1.093 261 K HN 0.070 nan 8.250 nan 0.000 0.454 262 V N 3.454 123.311 119.914 -0.095 0.000 2.450 262 V HA -0.044 4.080 4.120 0.006 0.000 0.281 262 V C 1.619 177.654 176.094 -0.098 0.000 1.019 262 V CA 0.533 62.772 62.300 -0.101 0.000 1.062 262 V CB 0.191 31.962 31.823 -0.086 0.000 0.979 262 V HN 0.934 nan 8.190 nan 0.000 0.477 263 T N 1.241 115.731 114.554 -0.108 0.000 3.001 263 T HA 0.288 4.641 4.350 0.006 0.000 0.251 263 T C 0.362 175.020 174.700 -0.072 0.000 1.040 263 T CA -0.077 61.970 62.100 -0.088 0.000 0.985 263 T CB 0.364 69.178 68.868 -0.092 0.000 1.011 263 T HN 0.516 nan 8.240 nan 0.000 0.509 264 K N 0.801 121.154 120.400 -0.078 0.000 2.578 264 K HA 0.505 4.829 4.320 0.006 0.000 0.269 264 K C -1.731 174.816 176.600 -0.088 0.000 0.941 264 K CA -0.442 55.806 56.287 -0.064 0.000 0.847 264 K CB 2.128 34.613 32.500 -0.024 0.000 1.397 264 K HN 0.271 nan 8.250 nan 0.000 0.422 265 S N 2.508 118.145 115.700 -0.106 0.000 2.607 265 S HA 0.761 5.235 4.470 0.006 0.000 0.273 265 S C -1.262 173.248 174.600 -0.150 0.000 1.148 265 S CA -0.850 57.259 58.200 -0.152 0.000 0.833 265 S CB 1.643 64.720 63.200 -0.204 0.000 1.130 265 S HN 0.612 nan 8.310 nan 0.000 0.470 266 I N 0.608 121.067 120.570 -0.185 0.000 2.752 266 I HA 0.466 4.640 4.170 0.006 0.000 0.295 266 I C -1.102 174.885 176.117 -0.216 0.000 1.219 266 I CA -0.419 60.793 61.300 -0.146 0.000 1.030 266 I CB 2.064 40.042 38.000 -0.036 0.000 1.259 266 I HN 1.000 nan 8.210 nan 0.000 0.423 267 E N 7.172 127.262 120.200 -0.183 0.000 2.249 267 E HA 0.402 4.756 4.350 0.006 0.000 0.280 267 E C -1.282 175.219 176.600 -0.165 0.000 1.016 267 E CA -0.653 55.629 56.400 -0.197 0.000 0.830 267 E CB 1.132 30.725 29.700 -0.179 0.000 1.081 267 E HN 0.557 nan 8.360 nan 0.000 0.395 268 L N 4.190 125.261 121.223 -0.254 0.000 2.410 268 L HA 0.111 4.454 4.340 0.006 0.000 0.273 268 L C 0.417 177.268 176.870 -0.033 0.000 1.144 268 L CA -0.323 54.302 54.840 -0.358 0.000 0.863 268 L CB 0.081 41.858 42.059 -0.469 0.000 1.140 268 L HN 0.564 nan 8.230 nan 0.000 0.463 269 N N 3.334 122.100 118.700 0.110 0.000 2.605 269 N HA 0.308 5.052 4.740 0.006 0.000 0.258 269 N C -0.322 175.258 175.510 0.118 0.000 1.156 269 N CA -0.019 53.113 53.050 0.137 0.000 1.008 269 N CB 0.590 39.173 38.487 0.160 0.000 1.354 269 N HN 0.672 nan 8.380 nan 0.000 0.509 270 A N 4.198 127.116 122.820 0.165 0.000 3.308 270 A HA 0.343 4.667 4.320 0.006 0.000 0.275 270 A C -2.524 175.344 177.584 0.473 0.000 0.950 270 A CA -1.045 51.106 52.037 0.189 0.000 0.987 270 A CB 0.262 19.315 19.000 0.089 0.000 1.146 270 A HN 0.440 nan 8.150 nan 0.000 0.488 271 P HA 0.068 nan 4.420 nan 0.000 0.268 271 P C 0.375 177.986 177.300 0.519 0.000 1.205 271 P CA 0.694 64.046 63.100 0.420 0.000 0.771 271 P CB 0.739 32.610 31.700 0.285 0.000 0.858 272 N N -0.310 118.734 118.700 0.574 0.000 2.955 272 N HA -0.214 4.530 4.740 0.006 0.000 0.230 272 N C -0.810 174.950 175.510 0.418 0.000 0.891 272 N CA 1.274 54.570 53.050 0.409 0.000 1.002 272 N CB -1.871 36.693 38.487 0.130 0.000 1.063 272 N HN 0.390 nan 8.380 nan 0.000 0.601 273 Y N 0.350 120.932 120.300 0.469 0.000 2.354 273 Y HA 0.520 5.073 4.550 0.006 0.000 0.322 273 Y C 0.888 177.090 175.900 0.504 0.000 1.253 273 Y CA -0.097 58.251 58.100 0.413 0.000 1.272 273 Y CB 0.986 39.615 38.460 0.281 0.000 1.255 273 Y HN 0.063 nan 8.280 nan 0.000 0.500 274 H N 1.836 121.051 119.070 0.242 0.000 2.840 274 H HA 0.295 4.855 4.556 0.006 0.000 0.340 274 H C -1.973 173.159 175.328 -0.326 0.000 1.004 274 H CA -0.693 55.444 56.048 0.148 0.000 1.288 274 H CB 0.947 30.928 29.762 0.365 0.000 1.607 274 H HN 0.663 nan 8.280 nan 0.000 0.522 275 Y N 2.987 122.802 120.300 -0.808 0.000 2.331 275 Y HA 0.307 4.860 4.550 0.006 0.000 0.334 275 Y C 0.004 175.742 175.900 -0.271 0.000 0.960 275 Y CA -0.512 57.283 58.100 -0.508 0.000 1.130 275 Y CB 1.643 39.733 38.460 -0.617 0.000 1.164 275 Y HN 0.513 nan 8.280 nan 0.000 0.458 276 E N 1.561 121.766 120.200 0.009 0.000 2.393 276 E HA 0.326 4.679 4.350 0.006 0.000 0.273 276 E C -0.912 175.740 176.600 0.087 0.000 0.918 276 E CA -1.104 55.342 56.400 0.077 0.000 0.773 276 E CB 2.100 31.862 29.700 0.104 0.000 1.275 276 E HN 0.606 nan 8.360 nan 0.000 0.451 277 E N 0.011 120.273 120.200 0.103 0.000 2.252 277 E HA -0.213 4.141 4.350 0.006 0.000 0.218 277 E C -0.807 175.842 176.600 0.082 0.000 1.253 277 E CA -0.015 56.434 56.400 0.083 0.000 0.705 277 E CB -1.623 28.088 29.700 0.018 0.000 1.172 277 E HN 0.367 nan 8.360 nan 0.000 0.369 278 c N 0.770 119.438 118.600 0.113 0.000 2.676 278 c HA 0.212 4.786 4.570 0.006 0.000 0.416 278 c C 1.203 175.374 174.090 0.136 0.000 1.299 278 c CA -0.195 56.217 56.329 0.137 0.000 2.048 278 c CB 0.806 43.414 42.510 0.164 0.000 2.713 278 c HN 0.380 nan 8.230 nan 0.000 0.624 279 S N 1.551 117.346 115.700 0.158 0.000 2.520 279 S HA 0.380 4.854 4.470 0.006 0.000 0.324 279 S C -0.544 174.181 174.600 0.209 0.000 1.069 279 S CA -0.387 57.922 58.200 0.183 0.000 1.121 279 S CB 0.292 63.606 63.200 0.190 0.000 0.971 279 S HN 0.821 nan 8.310 nan 0.000 0.463 280 c N 4.346 123.070 118.600 0.205 0.000 2.351 280 c HA 0.789 5.363 4.570 0.006 0.000 0.326 280 c C -0.490 173.733 174.090 0.221 0.000 1.272 280 c CA -1.004 55.413 56.329 0.148 0.000 1.650 280 c CB -0.676 41.925 42.510 0.152 0.000 2.257 280 c HN 0.909 nan 8.230 nan 0.000 0.505 281 Y N 1.840 122.201 120.300 0.100 0.000 2.553 281 Y HA 0.802 5.355 4.550 0.006 0.000 0.347 281 Y C -3.032 172.896 175.900 0.048 0.000 1.019 281 Y CA -3.387 54.793 58.100 0.134 0.000 1.032 281 Y CB 0.717 39.320 38.460 0.239 0.000 1.284 281 Y HN 0.423 nan 8.280 nan 0.000 0.466 282 P HA 0.225 nan 4.420 nan 0.000 0.279 282 P C -1.197 176.183 177.300 0.132 0.000 1.239 282 P CA 0.198 63.335 63.100 0.062 0.000 0.789 282 P CB 1.694 33.460 31.700 0.111 0.000 0.933 283 D N 1.473 121.870 120.400 -0.005 0.000 2.688 283 D HA 0.134 4.778 4.640 0.006 0.000 0.210 283 D C -0.680 175.586 176.300 -0.057 0.000 1.333 283 D CA 0.042 54.052 54.000 0.016 0.000 0.920 283 D CB 0.298 41.137 40.800 0.065 0.000 1.554 283 D HN 0.383 nan 8.370 nan 0.000 0.579 284 T N 2.677 117.210 114.554 -0.035 0.000 3.970 284 T HA -0.044 4.310 4.350 0.006 0.000 0.361 284 T C 1.091 175.761 174.700 -0.050 0.000 0.758 284 T CA 1.738 63.813 62.100 -0.041 0.000 1.940 284 T CB -1.674 67.162 68.868 -0.053 0.000 1.821 284 T HN 1.342 nan 8.240 nan 0.000 0.818 285 G N -0.375 108.401 108.800 -0.040 0.000 2.179 285 G HA2 -0.310 3.653 3.960 0.006 0.000 0.260 285 G HA3 -0.310 3.653 3.960 0.006 0.000 0.260 285 G C 0.056 174.897 174.900 -0.098 0.000 0.977 285 G CA 0.970 46.046 45.100 -0.040 0.000 0.641 285 G HN 0.792 nan 8.290 nan 0.000 0.533 286 K N -1.097 119.207 120.400 -0.160 0.000 2.331 286 K HA 0.799 5.123 4.320 0.006 0.000 0.238 286 K C -0.660 175.693 176.600 -0.412 0.000 1.058 286 K CA -0.891 55.222 56.287 -0.290 0.000 0.871 286 K CB 2.547 34.894 32.500 -0.256 0.000 1.292 286 K HN 0.068 nan 8.250 nan 0.000 0.470 287 V N 1.499 120.988 119.914 -0.708 0.000 2.735 287 V HA 0.418 4.542 4.120 0.006 0.000 0.310 287 V C -1.039 174.545 176.094 -0.851 0.000 1.061 287 V CA -0.850 60.963 62.300 -0.811 0.000 0.913 287 V CB 1.682 32.891 31.823 -1.024 0.000 1.005 287 V HN 0.679 nan 8.190 nan 0.000 0.428 288 M N 4.939 124.059 119.600 -0.801 0.000 2.311 288 M HA 0.669 5.152 4.480 0.006 0.000 0.325 288 M C -1.199 174.833 176.300 -0.446 0.000 1.061 288 M CA -0.031 54.886 55.300 -0.639 0.000 0.957 288 M CB 1.226 33.332 32.600 -0.824 0.000 1.646 288 M HN 0.660 nan 8.290 nan 0.000 0.434 289 c N 3.889 122.461 118.600 -0.047 0.000 2.408 289 c HA 0.874 5.448 4.570 0.006 0.000 0.321 289 c C -0.656 173.604 174.090 0.284 0.000 1.245 289 c CA -1.006 55.402 56.329 0.131 0.000 1.523 289 c CB 1.249 43.884 42.510 0.208 0.000 2.178 289 c HN 0.694 nan 8.230 nan 0.000 0.488 290 V N 2.675 122.746 119.914 0.262 0.000 2.495 290 V HA 0.623 4.747 4.120 0.006 0.000 0.298 290 V C 0.044 176.237 176.094 0.165 0.000 1.031 290 V CA -0.130 62.327 62.300 0.262 0.000 0.871 290 V CB 1.301 33.278 31.823 0.257 0.000 0.988 290 V HN 1.150 nan 8.190 nan 0.000 0.432 291 c N 3.324 121.981 118.600 0.096 0.000 3.205 291 c HA 0.734 5.307 4.570 0.006 0.000 0.372 291 c C -0.023 174.049 174.090 -0.030 0.000 1.892 291 c CA -1.020 55.339 56.329 0.049 0.000 1.516 291 c CB 1.928 44.500 42.510 0.103 0.000 2.371 291 c HN 0.907 nan 8.230 nan 0.000 0.468 292 R N 1.286 121.770 120.500 -0.028 0.000 2.439 292 R HA 0.385 4.729 4.340 0.006 0.000 0.310 292 R C -1.721 174.598 176.300 0.032 0.000 0.955 292 R CA -0.026 56.072 56.100 -0.003 0.000 0.853 292 R CB 0.976 31.284 30.300 0.014 0.000 1.171 292 R HN 0.853 nan 8.270 nan 0.000 0.449 293 D N 3.354 123.794 120.400 0.067 0.000 2.396 293 D HA 0.059 4.703 4.640 0.006 0.000 0.225 293 D C -0.159 176.290 176.300 0.248 0.000 1.121 293 D CA -0.179 53.949 54.000 0.213 0.000 0.853 293 D CB 1.241 42.180 40.800 0.232 0.000 1.043 293 D HN 0.623 nan 8.370 nan 0.000 0.500 294 N N 3.211 122.146 118.700 0.391 0.000 2.353 294 N HA 0.023 4.767 4.740 0.006 0.000 0.185 294 N C 0.847 176.370 175.510 0.022 0.000 1.098 294 N CA -0.014 53.139 53.050 0.173 0.000 0.872 294 N CB 0.110 38.732 38.487 0.225 0.000 0.970 294 N HN 0.510 nan 8.380 nan 0.000 0.467 295 W N 1.004 122.083 121.300 -0.368 0.000 2.560 295 W HA 0.125 4.789 4.660 0.007 0.000 0.303 295 W C 0.577 176.985 176.519 -0.184 0.000 1.151 295 W CA 1.773 58.841 57.345 -0.462 0.000 1.426 295 W CB -0.448 28.533 29.460 -0.798 0.000 1.135 295 W HN 0.308 nan 8.180 nan 0.000 0.522 296 H N -2.388 116.573 119.070 -0.182 0.000 3.591 296 H HA 0.452 5.012 4.556 0.006 0.000 0.232 296 H C -0.136 174.991 175.328 -0.337 0.000 1.304 296 H CA -0.189 55.637 56.048 -0.369 0.000 1.112 296 H CB -0.502 28.818 29.762 -0.736 0.000 2.909 296 H HN 0.099 nan 8.280 nan 0.000 0.595 297 G N 0.587 109.386 108.800 -0.001 0.000 2.707 297 G HA2 0.341 4.305 3.960 0.006 0.000 0.299 297 G HA3 0.341 4.305 3.960 0.006 0.000 0.299 297 G C 0.429 175.295 174.900 -0.056 0.000 1.442 297 G CA -0.418 44.633 45.100 -0.082 0.000 1.009 297 G HN 0.262 nan 8.290 nan 0.000 0.515 298 S N 1.022 116.625 115.700 -0.162 0.000 2.524 298 S HA 0.078 4.551 4.470 0.006 0.000 0.215 298 S C 0.831 175.388 174.600 -0.071 0.000 0.986 298 S CA -0.362 57.742 58.200 -0.160 0.000 0.911 298 S CB -0.131 62.879 63.200 -0.317 0.000 0.805 298 S HN 0.658 nan 8.310 nan 0.000 0.501 299 N N 1.788 120.485 118.700 -0.005 0.000 2.476 299 N HA 0.316 5.060 4.740 0.006 0.000 0.276 299 N C -0.741 174.860 175.510 0.150 0.000 1.204 299 N CA -0.808 52.325 53.050 0.138 0.000 0.974 299 N CB 0.467 39.072 38.487 0.196 0.000 1.204 299 N HN 0.091 nan 8.380 nan 0.000 0.543 300 R N -0.031 120.520 120.500 0.085 0.000 2.346 300 R HA 0.422 4.766 4.340 0.006 0.000 0.311 300 R C -2.155 174.011 176.300 -0.224 0.000 0.983 300 R CA -1.583 54.499 56.100 -0.030 0.000 0.880 300 R CB 1.425 31.703 30.300 -0.036 0.000 1.100 300 R HN 0.559 nan 8.270 nan 0.000 0.453 301 P HA 0.107 nan 4.420 nan 0.000 0.274 301 P C -0.805 176.299 177.300 -0.327 0.000 1.237 301 P CA -0.158 62.260 63.100 -1.137 0.000 0.793 301 P CB 0.752 31.497 31.700 -1.592 0.000 0.977 302 W N 0.812 122.001 121.300 -0.186 0.000 3.031 302 W HA 0.674 5.337 4.660 0.006 0.000 0.337 302 W C -2.430 174.283 176.519 0.324 0.000 1.187 302 W CA -1.282 56.149 57.345 0.143 0.000 1.166 302 W CB 1.114 30.691 29.460 0.194 0.000 1.437 302 W HN 0.222 nan 8.180 nan 0.000 0.551 303 V N 2.705 123.005 119.914 0.643 0.000 2.733 303 V HA 0.619 4.743 4.120 0.006 0.000 0.306 303 V C -0.735 175.664 176.094 0.508 0.000 1.084 303 V CA -0.364 62.200 62.300 0.440 0.000 0.905 303 V CB 1.894 33.727 31.823 0.015 0.000 1.010 303 V HN 0.795 nan 8.190 nan 0.000 0.424 304 S N 6.157 122.173 115.700 0.527 0.000 2.568 304 S HA 0.991 5.464 4.470 0.006 0.000 0.293 304 S C -0.951 173.757 174.600 0.181 0.000 1.089 304 S CA -0.620 57.666 58.200 0.143 0.000 0.945 304 S CB 1.953 65.215 63.200 0.104 0.000 1.077 304 S HN 1.533 nan 8.310 nan 0.000 0.485 305 F N -1.141 118.805 119.950 -0.007 0.000 2.719 305 F HA 0.691 5.222 4.527 0.006 0.000 0.309 305 F C -0.859 174.851 175.800 -0.150 0.000 1.138 305 F CA -1.192 56.791 58.000 -0.028 0.000 0.943 305 F CB 0.225 39.217 39.000 -0.014 0.000 1.304 305 F HN 0.627 nan 8.300 nan 0.000 0.445 309 N N 1.256 120.033 118.700 0.129 0.000 2.356 309 N HA 0.195 4.939 4.740 0.006 0.000 0.178 309 N C 0.677 176.249 175.510 0.102 0.000 1.075 309 N CA 0.650 53.740 53.050 0.066 0.000 0.889 309 N CB 0.769 39.284 38.487 0.046 0.000 0.999 309 N HN 0.181 nan 8.380 nan 0.000 0.464 310 L N 0.270 121.571 121.223 0.131 0.000 4.560 310 L HA -0.183 4.161 4.340 0.006 0.000 0.415 310 L C -1.129 175.828 176.870 0.144 0.000 1.123 310 L CA 0.310 55.206 54.840 0.094 0.000 0.991 310 L CB -1.654 40.411 42.059 0.010 0.000 2.127 310 L HN 0.052 nan 8.230 nan 0.000 0.765 311 D N 1.322 121.787 120.400 0.107 0.000 2.412 311 D HA 0.307 4.951 4.640 0.006 0.000 0.257 311 D C 0.108 176.488 176.300 0.133 0.000 1.217 311 D CA 0.530 54.556 54.000 0.044 0.000 0.897 311 D CB 0.297 41.105 40.800 0.013 0.000 1.132 311 D HN 0.359 nan 8.370 nan 0.000 0.493 312 Y N -0.315 120.031 120.300 0.077 0.000 2.587 312 Y HA 0.621 5.175 4.550 0.006 0.000 0.337 312 Y C -0.334 175.631 175.900 0.108 0.000 1.065 312 Y CA -1.159 57.019 58.100 0.129 0.000 1.126 312 Y CB 1.210 39.722 38.460 0.087 0.000 1.279 312 Y HN 0.151 nan 8.280 nan 0.000 0.489 313 Q N 2.845 122.886 119.800 0.402 0.000 2.413 313 Q HA 0.720 5.064 4.340 0.006 0.000 0.276 313 Q C -1.116 175.025 176.000 0.234 0.000 1.099 313 Q CA -1.163 54.835 55.803 0.325 0.000 0.814 313 Q CB 3.437 32.416 28.738 0.401 0.000 1.379 313 Q HN 0.852 nan 8.270 nan 0.000 0.436 314 I N -2.781 117.720 120.570 -0.115 0.000 2.934 314 I HA 0.999 5.173 4.170 0.006 0.000 0.306 314 I C -0.337 175.241 176.117 -0.897 0.000 1.110 314 I CA -0.848 60.117 61.300 -0.558 0.000 1.019 314 I CB 2.448 40.174 38.000 -0.456 0.000 1.227 314 I HN 0.704 nan 8.210 nan 0.000 0.434 315 G N 1.886 109.943 108.800 -1.238 0.000 2.428 315 G HA2 0.512 4.475 3.960 0.006 0.000 0.304 315 G HA3 0.512 4.475 3.960 0.006 0.000 0.304 315 G C -2.536 171.929 174.900 -0.725 0.000 1.303 315 G CA -0.608 44.020 45.100 -0.786 0.000 0.825 315 G HN 0.592 nan 8.290 nan 0.000 0.484 316 Y N -0.525 119.566 120.300 -0.349 0.000 2.524 316 Y HA 0.597 5.150 4.550 0.006 0.000 0.344 316 Y C 0.880 176.758 175.900 -0.037 0.000 1.012 316 Y CA -0.758 57.229 58.100 -0.188 0.000 1.068 316 Y CB 1.918 40.243 38.460 -0.226 0.000 1.249 316 Y HN 0.426 nan 8.280 nan 0.000 0.468 317 I N 2.410 122.994 120.570 0.022 0.000 2.668 317 I HA -0.160 4.014 4.170 0.006 0.000 0.285 317 I C 0.490 176.541 176.117 -0.110 0.000 1.168 317 I CA 0.292 61.426 61.300 -0.276 0.000 1.424 317 I CB 0.383 38.203 38.000 -0.300 0.000 1.377 317 I HN 0.826 nan 8.210 nan 0.000 0.560 318 c N 3.525 122.039 118.600 -0.145 0.000 2.464 318 c HA -0.062 4.512 4.570 0.006 0.000 0.278 318 c C 1.797 175.841 174.090 -0.076 0.000 1.375 318 c CA 0.059 56.350 56.329 -0.063 0.000 1.761 318 c CB -0.820 41.666 42.510 -0.040 0.000 1.944 318 c HN 0.865 nan 8.230 nan 0.000 0.509 319 S N 0.921 116.552 115.700 -0.115 0.000 2.558 319 S HA 0.237 4.711 4.470 0.006 0.000 0.293 319 S C 1.311 175.737 174.600 -0.290 0.000 1.292 319 S CA 0.483 58.581 58.200 -0.170 0.000 1.063 319 S CB 0.655 63.750 63.200 -0.174 0.000 0.831 319 S HN 0.613 nan 8.310 nan 0.000 0.499 320 G N 3.220 111.788 108.800 -0.386 0.000 2.848 320 G HA2 0.098 4.062 3.960 0.006 0.000 0.208 320 G HA3 0.098 4.062 3.960 0.006 0.000 0.208 320 G C 0.190 174.484 174.900 -1.009 0.000 1.152 320 G CA -0.076 44.544 45.100 -0.800 0.000 0.789 320 G HN 0.656 nan 8.290 nan 0.000 0.531 321 V N 2.677 122.251 119.914 -0.567 0.000 2.287 321 V HA 0.235 4.358 4.120 0.006 0.000 0.246 321 V C -0.259 175.608 176.094 -0.378 0.000 1.165 321 V CA -0.924 61.124 62.300 -0.420 0.000 1.088 321 V CB -0.935 30.715 31.823 -0.289 0.000 1.242 321 V HN 0.120 nan 8.190 nan 0.000 0.497 322 F N 2.300 122.191 119.950 -0.099 0.000 2.471 322 F HA 0.421 4.952 4.527 0.006 0.000 0.353 322 F C 1.536 177.263 175.800 -0.121 0.000 1.113 322 F CA -0.017 57.925 58.000 -0.097 0.000 1.262 322 F CB 0.723 39.676 39.000 -0.077 0.000 1.146 322 F HN 0.414 nan 8.300 nan 0.000 0.578 323 G N 0.632 109.480 108.800 0.080 0.000 2.719 323 G HA2 -0.045 3.919 3.960 0.006 0.000 0.211 323 G HA3 -0.045 3.919 3.960 0.006 0.000 0.211 323 G C 0.257 175.132 174.900 -0.041 0.000 1.140 323 G CA 0.033 45.104 45.100 -0.049 0.000 0.790 323 G HN 0.520 nan 8.290 nan 0.000 0.529 324 D N 0.181 120.587 120.400 0.011 0.000 2.411 324 D HA 0.202 4.846 4.640 0.006 0.000 0.251 324 D C -0.540 175.772 176.300 0.020 0.000 1.201 324 D CA -0.411 53.595 54.000 0.009 0.000 0.996 324 D CB 0.707 41.515 40.800 0.013 0.000 1.101 324 D HN 0.077 nan 8.370 nan 0.000 0.504 325 N N 0.739 119.463 118.700 0.040 0.000 2.500 325 N HA 0.255 4.998 4.740 0.006 0.000 0.291 325 N C -2.966 172.585 175.510 0.067 0.000 1.092 325 N CA -1.333 51.752 53.050 0.059 0.000 0.890 325 N CB 2.417 40.961 38.487 0.094 0.000 1.466 325 N HN 0.121 nan 8.380 nan 0.000 0.507 326 P HA 0.334 nan 4.420 nan 0.000 0.274 326 P C -0.892 176.404 177.300 -0.006 0.000 1.256 326 P CA -0.115 63.002 63.100 0.028 0.000 0.795 326 P CB 1.317 33.030 31.700 0.021 0.000 1.038 327 R N -1.509 118.980 120.500 -0.019 0.000 2.733 327 R HA 0.646 4.990 4.340 0.006 0.000 0.272 327 R C -3.050 173.210 176.300 -0.065 0.000 1.029 327 R CA -2.038 54.020 56.100 -0.070 0.000 0.888 327 R CB 0.280 30.580 30.300 0.000 0.000 1.251 327 R HN 0.147 nan 8.270 nan 0.000 0.464 328 P HA 0.135 nan 4.420 nan 0.000 0.277 328 P C -0.845 176.530 177.300 0.125 0.000 1.271 328 P CA -0.583 62.487 63.100 -0.050 0.000 0.795 328 P CB 0.376 31.982 31.700 -0.157 0.000 1.101 329 N N 0.599 119.369 118.700 0.116 0.000 2.416 329 N HA 0.010 4.754 4.740 0.006 0.000 0.246 329 N C -0.079 175.574 175.510 0.238 0.000 1.260 329 N CA 0.372 53.505 53.050 0.138 0.000 0.897 329 N CB -0.284 38.250 38.487 0.078 0.000 1.110 329 N HN 0.368 nan 8.380 nan 0.000 0.439 330 D N -0.090 120.382 120.400 0.121 0.000 2.472 330 D HA 0.338 4.982 4.640 0.006 0.000 0.237 330 D C 0.930 177.220 176.300 -0.016 0.000 1.141 330 D CA 0.616 54.585 54.000 -0.052 0.000 0.875 330 D CB 0.711 41.452 40.800 -0.100 0.000 1.192 330 D HN 0.607 nan 8.370 nan 0.000 0.450 331 G N 0.213 108.930 108.800 -0.138 0.000 2.604 331 G HA2 0.264 4.227 3.960 0.006 0.000 0.242 331 G HA3 0.264 4.227 3.960 0.006 0.000 0.242 331 G C -1.048 173.805 174.900 -0.078 0.000 1.208 331 G CA -0.595 44.500 45.100 -0.008 0.000 0.912 331 G HN 0.341 nan 8.290 nan 0.000 0.502 332 T N 1.176 115.748 114.554 0.031 0.000 2.779 332 T HA 0.524 4.878 4.350 0.006 0.000 0.296 332 T C 0.885 175.647 174.700 0.104 0.000 0.938 332 T CA 0.562 62.670 62.100 0.013 0.000 1.119 332 T CB 0.893 69.770 68.868 0.014 0.000 0.891 332 T HN 0.877 nan 8.240 nan 0.000 0.526 340 P HA 0.286 nan 4.420 nan 0.000 0.267 340 P C 0.027 176.879 177.300 -0.747 0.000 1.209 340 P CA 0.023 62.304 63.100 -1.365 0.000 0.763 340 P CB 1.234 32.192 31.700 -1.236 0.000 0.816 341 V N 4.191 123.789 119.914 -0.527 0.000 2.405 341 V HA -0.009 4.115 4.120 0.006 0.000 0.264 341 V C 1.993 177.841 176.094 -0.410 0.000 1.048 341 V CA 0.608 62.658 62.300 -0.417 0.000 0.966 341 V CB 0.226 31.798 31.823 -0.418 0.000 1.015 341 V HN 0.682 nan 8.190 nan 0.000 0.477 342 S N 2.917 118.386 115.700 -0.386 0.000 2.428 342 S HA -0.059 4.415 4.470 0.006 0.000 0.230 342 S C 1.294 175.745 174.600 -0.248 0.000 1.014 342 S CA 0.723 58.725 58.200 -0.329 0.000 0.957 342 S CB -0.072 62.937 63.200 -0.318 0.000 0.784 342 S HN 0.655 nan 8.310 nan 0.000 0.499 343 S N 2.443 117.984 115.700 -0.266 0.000 2.525 343 S HA 0.128 4.601 4.470 0.006 0.000 0.285 343 S C 0.489 174.953 174.600 -0.226 0.000 1.283 343 S CA -0.163 57.903 58.200 -0.223 0.000 1.072 343 S CB -0.798 62.263 63.200 -0.232 0.000 0.867 343 S HN 0.565 nan 8.310 nan 0.000 0.492 344 N N 2.541 121.153 118.700 -0.147 0.000 2.693 344 N HA -0.178 4.566 4.740 0.006 0.000 0.249 344 N C 0.892 176.340 175.510 -0.104 0.000 1.119 344 N CA 0.895 53.879 53.050 -0.109 0.000 0.717 344 N CB -1.488 36.934 38.487 -0.107 0.000 1.071 344 N HN 0.785 nan 8.380 nan 0.000 0.555 345 G N -0.095 108.637 108.800 -0.113 0.000 2.408 345 G HA2 0.197 4.161 3.960 0.006 0.000 0.215 345 G HA3 0.197 4.161 3.960 0.006 0.000 0.215 345 G C 0.767 175.656 174.900 -0.019 0.000 1.156 345 G CA 0.839 45.883 45.100 -0.092 0.000 0.793 345 G HN 0.627 nan 8.290 nan 0.000 0.535 346 A N -0.031 122.789 122.820 -0.001 0.000 2.520 346 A HA 0.436 4.760 4.320 0.006 0.000 0.235 346 A C 0.834 178.439 177.584 0.035 0.000 1.065 346 A CA 0.449 52.506 52.037 0.034 0.000 0.764 346 A CB -0.113 18.910 19.000 0.038 0.000 1.002 346 A HN 0.671 nan 8.150 nan 0.000 0.502 347 N N -1.403 117.328 118.700 0.052 0.000 6.874 347 N HA 0.062 4.805 4.740 0.006 0.000 0.421 347 N C -0.189 175.366 175.510 0.075 0.000 0.945 347 N CA 2.268 55.358 53.050 0.065 0.000 1.414 347 N CB -1.111 37.410 38.487 0.057 0.000 0.811 347 N HN 2.291 nan 8.380 nan 0.000 0.316 348 G N -0.989 107.865 108.800 0.089 0.000 2.323 348 G HA2 0.529 4.493 3.960 0.006 0.000 0.291 348 G HA3 0.529 4.493 3.960 0.006 0.000 0.291 348 G C -1.554 173.409 174.900 0.105 0.000 1.278 348 G CA -0.070 45.080 45.100 0.084 0.000 0.860 348 G HN 0.935 nan 8.290 nan 0.000 0.504 349 I N -0.090 120.520 120.570 0.067 0.000 2.775 349 I HA 0.504 4.677 4.170 0.006 0.000 0.295 349 I C -0.249 175.789 176.117 -0.131 0.000 1.287 349 I CA -0.953 60.379 61.300 0.053 0.000 1.029 349 I CB 2.122 40.216 38.000 0.157 0.000 1.282 349 I HN 0.652 nan 8.210 nan 0.000 0.426 350 K N 4.607 124.688 120.400 -0.533 0.000 2.451 350 K HA 0.473 4.797 4.320 0.006 0.000 0.280 350 K C -0.316 176.178 176.600 -0.178 0.000 1.020 350 K CA 0.508 56.497 56.287 -0.497 0.000 1.008 350 K CB 0.624 32.547 32.500 -0.962 0.000 0.917 350 K HN 0.818 nan 8.250 nan 0.000 0.478 351 G N 2.496 111.262 108.800 -0.055 0.000 2.749 351 G HA2 0.647 4.611 3.960 0.006 0.000 0.300 351 G HA3 0.647 4.611 3.960 0.006 0.000 0.300 351 G C -1.629 173.332 174.900 0.102 0.000 1.352 351 G CA -0.849 44.274 45.100 0.039 0.000 0.789 351 G HN 0.632 nan 8.290 nan 0.000 0.509 352 F N -1.895 117.994 119.950 -0.102 0.000 2.711 352 F HA 0.899 5.430 4.527 0.006 0.000 0.313 352 F C -0.616 175.103 175.800 -0.134 0.000 1.141 352 F CA -1.385 56.533 58.000 -0.136 0.000 0.941 352 F CB 1.573 40.424 39.000 -0.248 0.000 1.349 352 F HN 0.606 nan 8.300 nan 0.000 0.464 353 S N 0.149 115.750 115.700 -0.164 0.000 2.565 353 S HA 0.726 5.200 4.470 0.006 0.000 0.269 353 S C -2.022 172.591 174.600 0.021 0.000 1.153 353 S CA -0.630 57.502 58.200 -0.115 0.000 0.835 353 S CB 1.654 64.902 63.200 0.079 0.000 1.122 353 S HN 0.528 nan 8.310 nan 0.000 0.462 354 F N 1.750 121.950 119.950 0.417 0.000 2.467 354 F HA 0.542 5.073 4.527 0.006 0.000 0.336 354 F C 0.494 176.473 175.800 0.298 0.000 1.123 354 F CA -0.674 57.493 58.000 0.278 0.000 0.964 354 F CB 1.295 40.457 39.000 0.270 0.000 1.136 354 F HN 0.357 nan 8.300 nan 0.000 0.447 355 R N 3.031 123.609 120.500 0.130 0.000 2.308 355 R HA 0.384 4.727 4.340 0.006 0.000 0.305 355 R C -1.904 174.314 176.300 -0.136 0.000 1.053 355 R CA -0.318 55.629 56.100 -0.254 0.000 0.957 355 R CB 0.536 30.076 30.300 -1.266 0.000 1.022 355 R HN 0.678 nan 8.270 nan 0.000 0.461 356 Y N 5.160 125.529 120.300 0.114 0.000 2.426 356 Y HA 0.191 4.745 4.550 0.006 0.000 0.325 356 Y C 0.100 176.065 175.900 0.107 0.000 0.989 356 Y CA -0.357 57.835 58.100 0.154 0.000 1.284 356 Y CB 1.079 39.728 38.460 0.315 0.000 1.104 356 Y HN 0.906 nan 8.280 nan 0.000 0.481 357 D N 0.592 121.040 120.400 0.080 0.000 3.798 357 D HA -0.339 4.305 4.640 0.006 0.000 0.150 357 D C 0.138 176.440 176.300 0.004 0.000 0.953 357 D CA 1.456 55.485 54.000 0.048 0.000 1.089 357 D CB -0.439 40.439 40.800 0.130 0.000 0.535 357 D HN 0.586 nan 8.370 nan 0.000 0.563 358 N N 1.161 119.902 118.700 0.070 0.000 2.336 358 N HA 0.347 5.091 4.740 0.006 0.000 0.189 358 N C 0.589 176.165 175.510 0.109 0.000 1.113 358 N CA 0.744 53.855 53.050 0.102 0.000 0.858 358 N CB 0.651 39.191 38.487 0.089 0.000 0.970 358 N HN 0.409 nan 8.380 nan 0.000 0.471 359 G N -0.558 108.296 108.800 0.090 0.000 2.511 359 G HA2 0.596 4.559 3.960 0.006 0.000 0.316 359 G HA3 0.596 4.559 3.960 0.006 0.000 0.316 359 G C -1.180 173.779 174.900 0.099 0.000 1.210 359 G CA -0.404 44.621 45.100 -0.125 0.000 0.969 359 G HN 0.048 nan 8.290 nan 0.000 0.492 360 V N -0.238 119.614 119.914 -0.104 0.000 2.817 360 V HA 0.536 4.659 4.120 0.006 0.000 0.303 360 V C -1.820 174.470 176.094 0.326 0.000 1.151 360 V CA -1.083 61.409 62.300 0.319 0.000 0.929 360 V CB 1.791 33.841 31.823 0.378 0.000 1.030 360 V HN 0.761 nan 8.190 nan 0.000 0.427 361 W N 6.547 128.246 121.300 0.664 0.000 2.332 361 W HA 0.646 5.310 4.660 0.006 0.000 0.306 361 W C -0.003 176.641 176.519 0.209 0.000 1.149 361 W CA -0.276 57.403 57.345 0.555 0.000 1.271 361 W CB 1.225 31.159 29.460 0.791 0.000 1.243 361 W HN 0.406 nan 8.180 nan 0.000 0.459 362 I N 4.090 124.789 120.570 0.215 0.000 2.336 362 I HA 0.418 4.592 4.170 0.006 0.000 0.292 362 I C 0.901 176.794 176.117 -0.375 0.000 0.991 362 I CA -0.484 60.727 61.300 -0.148 0.000 1.227 362 I CB 0.997 38.885 38.000 -0.187 0.000 1.366 362 I HN 0.433 nan 8.210 nan 0.000 0.466 363 G N 6.056 114.358 108.800 -0.830 0.000 2.348 363 G HA2 0.760 4.723 3.960 0.006 0.000 0.312 363 G HA3 0.760 4.723 3.960 0.006 0.000 0.312 363 G C -0.721 173.615 174.900 -0.940 0.000 1.126 363 G CA -0.506 44.005 45.100 -0.983 0.000 0.865 363 G HN 0.760 nan 8.290 nan 0.000 0.474 364 R N -0.144 119.605 120.500 -1.252 0.000 2.716 364 R HA 0.628 4.972 4.340 0.006 0.000 0.271 364 R C -0.132 175.689 176.300 -0.799 0.000 1.028 364 R CA -0.817 54.817 56.100 -0.776 0.000 0.883 364 R CB 0.408 30.456 30.300 -0.419 0.000 1.250 364 R HN 0.592 nan 8.270 nan 0.000 0.465 365 T N -0.806 113.599 114.554 -0.248 0.000 2.855 365 T HA 0.132 4.486 4.350 0.006 0.000 0.314 365 T C 0.706 175.352 174.700 -0.090 0.000 1.077 365 T CA -0.361 61.722 62.100 -0.029 0.000 1.095 365 T CB 0.924 69.858 68.868 0.110 0.000 0.987 365 T HN 0.705 nan 8.240 nan 0.000 0.546 366 K N 0.471 120.862 120.400 -0.014 0.000 2.116 366 K HA 0.069 4.392 4.320 0.006 0.000 0.203 366 K C 1.443 178.040 176.600 -0.004 0.000 1.052 366 K CA 0.383 56.654 56.287 -0.026 0.000 0.952 366 K CB -0.024 32.477 32.500 0.001 0.000 0.729 366 K HN 0.603 nan 8.250 nan 0.000 0.446 367 S N 0.505 116.220 115.700 0.025 0.000 2.580 367 S HA 0.015 4.489 4.470 0.006 0.000 0.274 367 S C 1.169 175.792 174.600 0.038 0.000 1.329 367 S CA -0.402 57.818 58.200 0.033 0.000 1.036 367 S CB 1.178 64.409 63.200 0.053 0.000 0.919 367 S HN 0.378 nan 8.310 nan 0.000 0.515 368 T N 0.457 115.032 114.554 0.035 0.000 3.081 368 T HA 0.045 4.398 4.350 0.006 0.000 0.255 368 T C 1.386 176.112 174.700 0.043 0.000 1.113 368 T CA 0.823 62.945 62.100 0.037 0.000 1.082 368 T CB -0.214 68.676 68.868 0.035 0.000 0.939 368 T HN 0.599 nan 8.240 nan 0.000 0.506 369 S N -0.510 115.222 115.700 0.054 0.000 2.575 369 S HA 0.393 4.866 4.470 0.006 0.000 0.230 369 S C 0.695 175.351 174.600 0.094 0.000 1.062 369 S CA -0.334 57.903 58.200 0.061 0.000 0.913 369 S CB 0.268 63.498 63.200 0.051 0.000 0.837 369 S HN 0.372 nan 8.310 nan 0.000 0.487 370 S N 0.752 116.525 115.700 0.122 0.000 2.600 370 S HA 0.542 5.016 4.470 0.006 0.000 0.300 370 S C -0.778 173.959 174.600 0.227 0.000 1.087 370 S CA -0.861 57.455 58.200 0.194 0.000 0.965 370 S CB 1.252 64.585 63.200 0.222 0.000 1.089 370 S HN 0.343 nan 8.310 nan 0.000 0.496 371 R N 2.418 123.105 120.500 0.312 0.000 4.164 371 R HA 0.304 4.648 4.340 0.006 0.000 0.195 371 R C -0.723 175.831 176.300 0.423 0.000 1.712 371 R CA -0.017 56.282 56.100 0.331 0.000 1.457 371 R CB -0.119 30.361 30.300 0.300 0.000 1.387 371 R HN 0.339 nan 8.270 nan 0.000 0.785 372 S N 0.327 116.195 115.700 0.280 0.000 2.557 372 S HA 0.697 5.170 4.470 0.006 0.000 0.291 372 S C -0.012 174.666 174.600 0.130 0.000 1.116 372 S CA -0.428 57.867 58.200 0.157 0.000 0.992 372 S CB 2.195 65.381 63.200 -0.024 0.000 1.028 372 S HN 0.778 nan 8.310 nan 0.000 0.484 373 G N 1.464 110.347 108.800 0.137 0.000 2.814 373 G HA2 0.030 3.994 3.960 0.006 0.000 0.677 373 G HA3 0.030 3.994 3.960 0.006 0.000 0.677 373 G C -1.216 173.867 174.900 0.304 0.000 1.429 373 G CA -0.541 44.654 45.100 0.159 0.000 0.868 373 G HN 0.869 nan 8.290 nan 0.000 0.553 374 F N 0.686 120.692 119.950 0.093 0.000 2.650 374 F HA 0.630 5.161 4.527 0.006 0.000 0.310 374 F C -0.484 175.349 175.800 0.055 0.000 1.112 374 F CA 0.044 58.095 58.000 0.085 0.000 0.986 374 F CB 1.853 40.947 39.000 0.156 0.000 1.285 374 F HN 1.044 nan 8.300 nan 0.000 0.440 375 E N 4.989 124.942 120.200 -0.411 0.000 2.392 375 E HA 0.505 4.858 4.350 0.006 0.000 0.279 375 E C -1.915 174.449 176.600 -0.393 0.000 0.964 375 E CA -1.200 55.072 56.400 -0.214 0.000 0.777 375 E CB 2.323 31.930 29.700 -0.156 0.000 1.249 375 E HN 0.370 nan 8.360 nan 0.000 0.449 376 M N 2.496 122.015 119.600 -0.136 0.000 2.268 376 M HA 0.494 4.978 4.480 0.006 0.000 0.344 376 M C -0.698 175.726 176.300 0.208 0.000 1.106 376 M CA -0.656 54.617 55.300 -0.043 0.000 1.010 376 M CB 0.737 33.307 32.600 -0.051 0.000 1.649 376 M HN 0.612 nan 8.290 nan 0.000 0.443 377 I N 2.426 123.084 120.570 0.147 0.000 2.436 377 I HA 0.328 4.502 4.170 0.006 0.000 0.289 377 I C -0.906 175.178 176.117 -0.054 0.000 1.010 377 I CA -0.573 60.696 61.300 -0.052 0.000 1.098 377 I CB 2.131 39.858 38.000 -0.455 0.000 1.266 377 I HN 0.714 nan 8.210 nan 0.000 0.434 378 W N 7.706 128.664 121.300 -0.569 0.000 2.308 378 W HA 0.289 4.952 4.660 0.006 0.000 0.311 378 W C -1.133 175.155 176.519 -0.386 0.000 1.088 378 W CA -0.281 56.474 57.345 -0.984 0.000 1.309 378 W CB 1.182 29.742 29.460 -1.499 0.000 1.229 378 W HN 0.470 nan 8.180 nan 0.000 0.427 379 D N 9.168 129.016 120.400 -0.921 0.000 2.461 379 D HA 0.197 4.841 4.640 0.006 0.000 0.240 379 D C -1.333 174.239 176.300 -1.215 0.000 1.094 379 D CA -2.489 51.052 54.000 -0.766 0.000 0.868 379 D CB 1.872 42.452 40.800 -0.367 0.000 1.062 379 D HN 0.175 nan 8.370 nan 0.000 0.530 380 P HA -0.081 nan 4.420 nan 0.000 0.228 380 P C 0.317 177.348 177.300 -0.448 0.000 1.151 380 P CA 0.690 63.169 63.100 -1.035 0.000 0.770 380 P CB 0.285 31.739 31.700 -0.411 0.000 0.786 381 N N -1.586 116.914 118.700 -0.334 0.000 2.241 381 N HA 0.089 4.832 4.740 0.006 0.000 0.238 381 N C 1.418 176.869 175.510 -0.099 0.000 1.244 381 N CA -0.077 52.885 53.050 -0.146 0.000 0.880 381 N CB -0.999 37.430 38.487 -0.097 0.000 1.179 381 N HN -0.080 nan 8.380 nan 0.000 0.513 382 G N -0.771 107.937 108.800 -0.154 0.000 2.650 382 G HA2 -0.145 3.818 3.960 0.006 0.000 0.214 382 G HA3 -0.145 3.818 3.960 0.006 0.000 0.214 382 G C 0.745 175.655 174.900 0.018 0.000 1.136 382 G CA -0.153 44.886 45.100 -0.102 0.000 0.789 382 G HN 0.371 nan 8.290 nan 0.000 0.536 383 W N 1.889 123.134 121.300 -0.092 0.000 2.409 383 W HA -0.094 4.570 4.660 0.006 0.000 0.299 383 W C 2.075 178.602 176.519 0.013 0.000 1.203 383 W CA 1.967 59.284 57.345 -0.046 0.000 1.298 383 W CB 0.052 29.467 29.460 -0.076 0.000 1.127 383 W HN 0.296 nan 8.180 nan 0.000 0.528 384 T N -2.539 112.115 114.554 0.167 0.000 2.985 384 T HA 0.125 4.479 4.350 0.006 0.000 0.254 384 T C 0.134 174.863 174.700 0.048 0.000 1.021 384 T CA -0.000 62.172 62.100 0.121 0.000 0.957 384 T CB 0.427 69.396 68.868 0.169 0.000 1.047 384 T HN -0.242 nan 8.240 nan 0.000 0.511 385 E N 2.034 122.240 120.200 0.010 0.000 2.207 385 E HA 0.403 4.757 4.350 0.006 0.000 0.270 385 E C 0.375 176.946 176.600 -0.048 0.000 0.927 385 E CA -0.427 55.963 56.400 -0.017 0.000 0.799 385 E CB 1.784 31.467 29.700 -0.028 0.000 1.172 385 E HN 0.321 nan 8.360 nan 0.000 0.404 386 T N -2.894 111.631 114.554 -0.049 0.000 3.086 386 T HA 0.036 4.390 4.350 0.006 0.000 0.250 386 T C 0.299 174.944 174.700 -0.092 0.000 1.074 386 T CA -0.356 61.705 62.100 -0.065 0.000 0.988 386 T CB -0.446 68.398 68.868 -0.040 0.000 0.988 386 T HN 0.427 nan 8.240 nan 0.000 0.530 387 D N 1.744 122.090 120.400 -0.090 0.000 2.368 387 D HA 0.199 4.842 4.640 0.006 0.000 0.240 387 D C 1.026 177.246 176.300 -0.135 0.000 1.169 387 D CA -0.211 53.730 54.000 -0.099 0.000 0.906 387 D CB 0.757 41.505 40.800 -0.085 0.000 1.187 387 D HN 0.164 nan 8.370 nan 0.000 0.435 388 S N -0.608 115.014 115.700 -0.131 0.000 2.597 388 S HA 0.154 4.628 4.470 0.006 0.000 0.224 388 S C 0.159 174.729 174.600 -0.051 0.000 0.955 388 S CA -0.807 57.314 58.200 -0.133 0.000 0.933 388 S CB -0.375 62.742 63.200 -0.139 0.000 0.788 388 S HN 0.331 nan 8.310 nan 0.000 0.488 389 S N 2.338 117.984 115.700 -0.090 0.000 2.565 389 S HA 0.684 5.157 4.470 0.006 0.000 0.276 389 S C -0.368 174.191 174.600 -0.068 0.000 1.326 389 S CA -0.613 57.502 58.200 -0.142 0.000 1.045 389 S CB 0.193 63.299 63.200 -0.156 0.000 0.918 389 S HN 0.622 nan 8.310 nan 0.000 0.505 390 F N -0.907 118.941 119.950 -0.170 0.000 2.685 390 F HA 0.693 5.224 4.527 0.006 0.000 0.315 390 F C 0.608 176.315 175.800 -0.155 0.000 1.126 390 F CA -0.913 56.959 58.000 -0.215 0.000 0.950 390 F CB 0.959 39.833 39.000 -0.210 0.000 1.360 390 F HN 0.448 nan 8.300 nan 0.000 0.469 391 S N -0.568 115.175 115.700 0.072 0.000 2.575 391 S HA 0.550 5.023 4.470 0.006 0.000 0.230 391 S C -0.140 174.577 174.600 0.195 0.000 1.062 391 S CA 0.397 58.627 58.200 0.050 0.000 0.913 391 S CB 0.255 63.484 63.200 0.048 0.000 0.837 391 S HN 0.543 nan 8.310 nan 0.000 0.487 395 Q N 3.716 123.695 119.800 0.298 0.000 2.327 395 Q HA 0.264 4.608 4.340 0.006 0.000 0.270 395 Q C -1.158 174.986 176.000 0.240 0.000 1.022 395 Q CA -0.812 55.175 55.803 0.307 0.000 0.773 395 Q CB 1.485 30.474 28.738 0.419 0.000 1.251 395 Q HN 0.502 nan 8.270 nan 0.000 0.457 396 D N 4.202 124.744 120.400 0.236 0.000 2.382 396 D HA 0.096 4.740 4.640 0.006 0.000 0.245 396 D C 0.653 177.148 176.300 0.324 0.000 1.120 396 D CA 0.096 54.230 54.000 0.224 0.000 0.890 396 D CB 1.213 42.130 40.800 0.194 0.000 1.201 396 D HN 0.530 nan 8.370 nan 0.000 0.433 397 I N 0.305 121.076 120.570 0.335 0.000 4.046 397 I HA 0.059 4.232 4.170 0.006 0.000 0.285 397 I C 0.263 176.686 176.117 0.511 0.000 1.183 397 I CA 0.480 62.064 61.300 0.472 0.000 1.337 397 I CB 0.393 38.639 38.000 0.411 0.000 1.478 397 I HN 0.068 nan 8.210 nan 0.000 0.452 398 V N 1.538 121.674 119.914 0.371 0.000 2.686 398 V HA 0.679 4.803 4.120 0.006 0.000 0.306 398 V C 0.094 176.276 176.094 0.148 0.000 1.065 398 V CA -1.193 61.265 62.300 0.264 0.000 0.894 398 V CB 1.827 33.834 31.823 0.307 0.000 1.004 398 V HN 0.255 nan 8.190 nan 0.000 0.424 399 A N 3.550 126.398 122.820 0.047 0.000 2.466 399 A HA 0.388 4.712 4.320 0.006 0.000 0.238 399 A C 1.208 178.787 177.584 -0.008 0.000 1.074 399 A CA 0.149 52.187 52.037 0.002 0.000 0.774 399 A CB 0.053 19.018 19.000 -0.058 0.000 1.015 399 A HN 1.029 nan 8.150 nan 0.000 0.498 400 I N 1.104 121.662 120.570 -0.020 0.000 2.756 400 I HA -0.170 4.003 4.170 0.006 0.000 0.262 400 I C 2.146 178.186 176.117 -0.129 0.000 1.225 400 I CA 1.887 63.161 61.300 -0.044 0.000 1.472 400 I CB 0.027 38.010 38.000 -0.029 0.000 1.094 400 I HN 0.841 nan 8.210 nan 0.000 0.454 401 T N -2.778 111.693 114.554 -0.140 0.000 3.148 401 T HA 0.083 4.437 4.350 0.006 0.000 0.253 401 T C 0.502 175.013 174.700 -0.316 0.000 1.134 401 T CA -0.084 61.889 62.100 -0.212 0.000 1.051 401 T CB -0.308 68.475 68.868 -0.142 0.000 0.959 401 T HN 0.204 nan 8.240 nan 0.000 0.525 402 D N 0.071 120.313 120.400 -0.264 0.000 2.433 402 D HA 0.289 4.933 4.640 0.006 0.000 0.236 402 D C -0.872 175.294 176.300 -0.224 0.000 1.026 402 D CA -0.686 53.152 54.000 -0.270 0.000 0.884 402 D CB 1.437 42.193 40.800 -0.073 0.000 1.384 402 D HN 0.351 nan 8.370 nan 0.000 0.477 403 W N 1.262 122.613 121.300 0.084 0.000 2.218 403 W HA 0.183 4.847 4.660 0.007 0.000 0.326 403 W C 1.394 177.996 176.519 0.139 0.000 1.276 403 W CA -0.295 57.110 57.345 0.100 0.000 1.210 403 W CB 0.786 30.293 29.460 0.077 0.000 1.143 403 W HN 0.305 nan 8.180 nan 0.000 0.563 404 S N 1.803 117.768 115.700 0.443 0.000 4.225 404 S HA 0.977 5.451 4.470 0.006 0.000 0.215 404 S C 0.277 175.083 174.600 0.344 0.000 1.051 404 S CA -0.094 58.322 58.200 0.359 0.000 1.729 404 S CB 1.168 64.600 63.200 0.385 0.000 0.892 404 S HN 0.972 nan 8.310 nan 0.000 0.720 405 G N -0.788 108.221 108.800 0.349 0.000 2.398 405 G HA2 0.317 4.281 3.960 0.006 0.000 0.251 405 G HA3 0.317 4.281 3.960 0.006 0.000 0.251 405 G C -1.706 173.479 174.900 0.475 0.000 1.277 405 G CA -0.812 44.510 45.100 0.370 0.000 0.927 405 G HN 0.540 nan 8.290 nan 0.000 0.477 406 Y N 1.431 121.897 120.300 0.277 0.000 2.652 406 Y HA 0.450 5.004 4.550 0.007 0.000 0.344 406 Y C 1.373 177.355 175.900 0.137 0.000 1.254 406 Y CA 0.039 58.308 58.100 0.281 0.000 1.480 406 Y CB 0.812 39.540 38.460 0.447 0.000 1.345 406 Y HN 0.902 nan 8.280 nan 0.000 0.617 407 S N -0.019 115.658 115.700 -0.039 0.000 2.579 407 S HA 0.946 5.420 4.470 0.006 0.000 0.272 407 S C -0.530 173.573 174.600 -0.829 0.000 1.141 407 S CA -0.395 57.472 58.200 -0.554 0.000 0.843 407 S CB 2.181 65.371 63.200 -0.017 0.000 1.122 407 S HN 1.031 nan 8.310 nan 0.000 0.468 408 G N 0.422 108.316 108.800 -1.510 0.000 2.677 408 G HA2 0.613 4.577 3.960 0.006 0.000 0.291 408 G HA3 0.613 4.577 3.960 0.006 0.000 0.291 408 G C -0.757 173.647 174.900 -0.827 0.000 1.435 408 G CA -0.308 44.265 45.100 -0.877 0.000 0.826 408 G HN 1.388 nan 8.290 nan 0.000 0.491 409 S N -0.795 114.717 115.700 -0.314 0.000 2.601 409 S HA 0.834 5.308 4.470 0.006 0.000 0.271 409 S C -0.425 174.424 174.600 0.416 0.000 1.305 409 S CA -0.420 57.714 58.200 -0.110 0.000 1.022 409 S CB 0.880 64.038 63.200 -0.069 0.000 0.940 409 S HN 1.593 nan 8.310 nan 0.000 0.525 410 F N -0.108 120.028 119.950 0.311 0.000 2.631 410 F HA 0.792 5.323 4.527 0.007 0.000 0.308 410 F C -0.429 175.538 175.800 0.279 0.000 1.097 410 F CA -1.175 57.032 58.000 0.344 0.000 0.952 410 F CB 0.607 39.843 39.000 0.394 0.000 1.307 410 F HN 0.595 nan 8.300 nan 0.000 0.450 411 V N 0.422 120.521 119.914 0.309 0.000 6.168 411 V HA 0.725 4.848 4.120 0.006 0.000 0.275 411 V C 0.584 176.772 176.094 0.156 0.000 1.598 411 V CA 0.133 62.498 62.300 0.108 0.000 0.646 411 V CB 0.447 32.363 31.823 0.155 0.000 1.463 411 V HN 1.857 nan 8.190 nan 0.000 0.394 412 L N -1.711 119.549 121.223 0.061 0.000 2.072 412 L HA -0.197 4.147 4.340 0.006 0.000 0.487 412 L C 1.474 178.361 176.870 0.028 0.000 0.716 412 L CA 3.093 57.959 54.840 0.042 0.000 3.179 412 L CB -1.946 40.140 42.059 0.044 0.000 0.702 412 L HN 1.235 nan 8.230 nan 0.000 0.758 413 T N -2.650 111.917 114.554 0.022 0.000 3.051 413 T HA 0.515 4.869 4.350 0.006 0.000 0.255 413 T C 1.826 176.529 174.700 0.006 0.000 1.085 413 T CA 1.128 63.234 62.100 0.009 0.000 1.109 413 T CB 0.394 69.258 68.868 -0.007 0.000 0.921 413 T HN 1.929 nan 8.240 nan 0.000 0.488 414 G N 1.483 110.289 108.800 0.010 0.000 2.179 414 G HA2 -0.234 3.729 3.960 0.006 0.000 0.260 414 G HA3 -0.234 3.729 3.960 0.006 0.000 0.260 414 G C 0.067 174.966 174.900 -0.002 0.000 0.977 414 G CA 0.365 45.469 45.100 0.006 0.000 0.641 414 G HN 0.642 nan 8.290 nan 0.000 0.533 415 L N 0.722 121.940 121.223 -0.008 0.000 2.476 415 L HA 0.412 4.755 4.340 0.006 0.000 0.255 415 L C 1.548 178.410 176.870 -0.012 0.000 1.218 415 L CA 0.186 55.016 54.840 -0.017 0.000 0.819 415 L CB 0.280 42.321 42.059 -0.030 0.000 1.119 415 L HN 0.275 nan 8.230 nan 0.000 0.485 416 D N -1.186 119.205 120.400 -0.016 0.000 2.363 416 D HA 0.080 4.724 4.640 0.006 0.000 0.214 416 D C -0.094 176.198 176.300 -0.015 0.000 1.093 416 D CA -0.257 53.735 54.000 -0.012 0.000 0.837 416 D CB -0.147 40.646 40.800 -0.011 0.000 0.948 416 D HN 0.488 nan 8.370 nan 0.000 0.507 417 c N -2.120 116.467 118.600 -0.022 0.000 3.236 417 c HA 0.793 5.367 4.570 0.006 0.000 0.312 417 c C -0.303 173.767 174.090 -0.034 0.000 1.374 417 c CA -1.381 54.932 56.329 -0.028 0.000 1.455 417 c CB 0.628 43.117 42.510 -0.036 0.000 1.834 417 c HN 0.161 nan 8.230 nan 0.000 0.460 418 M N 2.492 122.069 119.600 -0.038 0.000 2.120 418 M HA 0.419 4.903 4.480 0.006 0.000 0.354 418 M C 0.163 176.405 176.300 -0.096 0.000 1.287 418 M CA -0.140 55.137 55.300 -0.039 0.000 1.103 418 M CB 0.190 32.784 32.600 -0.010 0.000 1.623 418 M HN 0.851 nan 8.290 nan 0.000 0.471 419 R N 7.418 127.853 120.500 -0.109 0.000 2.254 419 R HA 0.544 4.888 4.340 0.006 0.000 0.318 419 R C -2.658 173.484 176.300 -0.263 0.000 1.031 419 R CA -1.500 54.489 56.100 -0.184 0.000 0.905 419 R CB 0.692 30.891 30.300 -0.167 0.000 1.050 419 R HN 0.416 nan 8.270 nan 0.000 0.456 420 P HA 0.229 nan 4.420 nan 0.000 0.290 420 P C -0.901 176.192 177.300 -0.345 0.000 1.276 420 P CA -0.443 62.286 63.100 -0.618 0.000 0.808 420 P CB 1.294 32.200 31.700 -1.323 0.000 0.966 421 c N 3.000 121.385 118.600 -0.358 0.000 3.154 421 c HA 0.842 5.416 4.570 0.006 0.000 0.312 421 c C -0.429 173.498 174.090 -0.271 0.000 1.349 421 c CA -0.373 55.665 56.329 -0.486 0.000 1.518 421 c CB 1.260 42.853 42.510 -1.529 0.000 1.934 421 c HN 0.708 nan 8.230 nan 0.000 0.462 422 F N -0.347 119.424 119.950 -0.299 0.000 2.645 422 F HA 0.881 5.411 4.527 0.006 0.000 0.310 422 F C -1.226 174.705 175.800 0.218 0.000 1.102 422 F CA -1.282 56.531 58.000 -0.311 0.000 0.952 422 F CB 0.887 39.286 39.000 -1.003 0.000 1.326 422 F HN 0.828 nan 8.300 nan 0.000 0.456 423 W N 1.329 122.801 121.300 0.287 0.000 2.799 423 W HA 0.863 5.527 4.660 0.007 0.000 0.349 423 W C -2.177 174.482 176.519 0.233 0.000 1.100 423 W CA -1.597 55.882 57.345 0.223 0.000 1.174 423 W CB 0.942 30.536 29.460 0.223 0.000 1.427 423 W HN 0.532 nan 8.180 nan 0.000 0.547 424 V N 1.265 121.443 119.914 0.439 0.000 2.656 424 V HA 0.245 4.368 4.120 0.006 0.000 0.307 424 V C -0.309 176.053 176.094 0.446 0.000 1.051 424 V CA -0.898 61.545 62.300 0.238 0.000 0.893 424 V CB 1.714 33.457 31.823 -0.132 0.000 0.999 424 V HN 0.642 nan 8.190 nan 0.000 0.426 425 E N 4.074 124.577 120.200 0.506 0.000 2.200 425 E HA 0.499 4.852 4.350 0.006 0.000 0.283 425 E C -1.357 175.415 176.600 0.288 0.000 1.015 425 E CA -0.586 56.061 56.400 0.412 0.000 0.819 425 E CB 1.151 31.152 29.700 0.502 0.000 1.081 425 E HN 0.646 nan 8.360 nan 0.000 0.397 426 L N 6.818 128.182 121.223 0.234 0.000 2.297 426 L HA 0.400 4.743 4.340 0.006 0.000 0.277 426 L C -0.173 176.819 176.870 0.204 0.000 1.040 426 L CA -0.550 54.432 54.840 0.235 0.000 0.867 426 L CB 0.582 42.776 42.059 0.224 0.000 1.244 426 L HN 0.521 nan 8.230 nan 0.000 0.433 427 I N 4.140 124.824 120.570 0.190 0.000 2.416 427 I HA 0.258 4.432 4.170 0.006 0.000 0.288 427 I C 0.180 176.305 176.117 0.014 0.000 1.051 427 I CA -0.249 61.105 61.300 0.091 0.000 1.375 427 I CB 0.429 38.446 38.000 0.028 0.000 1.407 427 I HN 0.498 nan 8.210 nan 0.000 0.516 428 R N 4.450 124.961 120.500 0.020 0.000 2.711 428 R HA 0.811 5.155 4.340 0.006 0.000 0.284 428 R C 0.241 176.383 176.300 -0.264 0.000 0.968 428 R CA -0.518 55.528 56.100 -0.091 0.000 0.924 428 R CB 1.531 31.886 30.300 0.091 0.000 1.162 428 R HN 0.891 nan 8.270 nan 0.000 0.465 429 G N 1.234 109.717 108.800 -0.528 0.000 2.445 429 G HA2 -0.195 3.769 3.960 0.006 0.000 0.212 429 G HA3 -0.195 3.769 3.960 0.006 0.000 0.212 429 G C -1.027 173.572 174.900 -0.503 0.000 1.217 429 G CA -0.763 43.894 45.100 -0.738 0.000 1.002 429 G HN 0.402 nan 8.290 nan 0.000 0.574 430 Q N 1.322 120.880 119.800 -0.404 0.000 2.421 430 Q HA 0.273 4.617 4.340 0.006 0.000 0.255 430 Q C -1.226 174.630 176.000 -0.239 0.000 1.013 430 Q CA -0.262 55.375 55.803 -0.276 0.000 0.895 430 Q CB 1.144 29.767 28.738 -0.192 0.000 1.271 430 Q HN 0.440 nan 8.270 nan 0.000 0.460 431 P HA 0.024 nan 4.420 nan 0.000 0.251 431 P C 0.527 177.695 177.300 -0.220 0.000 1.223 431 P CA 0.493 63.485 63.100 -0.180 0.000 0.796 431 P CB 0.538 32.168 31.700 -0.116 0.000 1.068 432 K N 0.334 120.526 120.400 -0.347 0.000 2.217 432 K HA 0.068 4.392 4.320 0.006 0.000 0.202 432 K C 0.956 177.387 176.600 -0.281 0.000 1.051 432 K CA 0.796 56.847 56.287 -0.393 0.000 0.952 432 K CB 0.249 32.183 32.500 -0.942 0.000 0.736 432 K HN 0.424 nan 8.250 nan 0.000 0.453 436 T N -2.537 111.775 114.554 -0.404 0.000 2.907 436 T HA 0.508 4.862 4.350 0.006 0.000 0.290 436 T C 1.455 175.916 174.700 -0.398 0.000 1.066 436 T CA -0.904 60.874 62.100 -0.537 0.000 1.012 436 T CB 1.519 69.627 68.868 -1.267 0.000 1.184 436 T HN 0.226 nan 8.240 nan 0.000 0.522 437 I N -2.086 118.337 120.570 -0.245 0.000 3.059 437 I HA 0.328 4.501 4.170 0.006 0.000 0.270 437 I C 0.519 176.635 176.117 -0.002 0.000 1.238 437 I CA -0.618 60.645 61.300 -0.062 0.000 1.478 437 I CB -0.096 37.940 38.000 0.059 0.000 1.097 437 I HN 0.602 nan 8.210 nan 0.000 0.455 438 W N 1.282 122.547 121.300 -0.057 0.000 2.671 438 W HA 0.698 5.361 4.660 0.005 0.000 0.360 438 W C -1.188 175.282 176.519 -0.083 0.000 1.128 438 W CA -0.982 56.331 57.345 -0.053 0.000 1.184 438 W CB 0.402 29.838 29.460 -0.040 0.000 1.415 438 W HN -0.306 nan 8.180 nan 0.000 0.604 439 T N 1.726 116.474 114.554 0.323 0.000 2.879 439 T HA 0.423 4.777 4.350 0.006 0.000 0.290 439 T C -0.996 173.914 174.700 0.350 0.000 0.993 439 T CA -0.293 61.935 62.100 0.213 0.000 0.975 439 T CB 1.900 70.786 68.868 0.031 0.000 0.981 439 T HN 0.500 nan 8.240 nan 0.000 0.439 440 S N 1.146 117.086 115.700 0.400 0.000 2.651 440 S HA 0.896 5.370 4.470 0.006 0.000 0.279 440 S C -0.684 174.007 174.600 0.153 0.000 1.148 440 S CA -0.551 57.776 58.200 0.211 0.000 0.837 440 S CB 1.694 64.942 63.200 0.081 0.000 1.138 440 S HN 1.007 nan 8.310 nan 0.000 0.478 441 G N 0.922 109.770 108.800 0.079 0.000 2.519 441 G HA2 0.623 4.587 3.960 0.006 0.000 0.307 441 G HA3 0.623 4.587 3.960 0.006 0.000 0.307 441 G C -0.522 174.407 174.900 0.049 0.000 1.266 441 G CA -0.306 44.846 45.100 0.087 0.000 0.970 441 G HN 1.004 nan 8.290 nan 0.000 0.481 442 S N -0.739 115.009 115.700 0.080 0.000 2.768 442 S HA 0.873 5.347 4.470 0.006 0.000 0.300 442 S C 0.159 174.807 174.600 0.080 0.000 1.122 442 S CA 0.042 58.270 58.200 0.047 0.000 0.995 442 S CB 1.665 64.903 63.200 0.063 0.000 1.195 442 S HN 1.685 nan 8.310 nan 0.000 0.547 443 S N -0.296 115.437 115.700 0.056 0.000 2.595 443 S HA 0.800 5.273 4.470 0.006 0.000 0.281 443 S C -0.630 174.020 174.600 0.083 0.000 1.117 443 S CA -0.996 57.264 58.200 0.100 0.000 0.873 443 S CB 0.865 64.103 63.200 0.063 0.000 1.108 443 S HN 1.293 nan 8.310 nan 0.000 0.477 444 I N -0.768 119.879 120.570 0.128 0.000 2.934 444 I HA 0.916 5.090 4.170 0.006 0.000 0.306 444 I C -0.722 175.423 176.117 0.046 0.000 1.110 444 I CA -0.931 60.388 61.300 0.032 0.000 1.019 444 I CB 2.233 40.291 38.000 0.096 0.000 1.227 444 I HN 0.921 nan 8.210 nan 0.000 0.434 445 S N 2.175 117.759 115.700 -0.194 0.000 2.579 445 S HA 0.823 5.297 4.470 0.006 0.000 0.272 445 S C -1.393 172.882 174.600 -0.542 0.000 1.141 445 S CA -0.618 57.531 58.200 -0.085 0.000 0.843 445 S CB 1.871 65.244 63.200 0.288 0.000 1.122 445 S HN 0.590 nan 8.310 nan 0.000 0.468 446 F N -0.293 119.407 119.950 -0.416 0.000 2.601 446 F HA 0.690 5.221 4.527 0.006 0.000 0.309 446 F C -0.276 175.387 175.800 -0.228 0.000 1.089 446 F CA -0.753 57.033 58.000 -0.357 0.000 0.940 446 F CB 2.019 40.672 39.000 -0.578 0.000 1.273 446 F HN 0.827 nan 8.300 nan 0.000 0.450 447 c N 1.192 119.855 118.600 0.106 0.000 2.493 447 c HA 0.773 5.346 4.570 0.006 0.000 0.326 447 c C 0.603 174.707 174.090 0.024 0.000 1.200 447 c CA -0.984 55.339 56.329 -0.010 0.000 1.739 447 c CB 1.307 43.671 42.510 -0.243 0.000 2.300 447 c HN 1.015 nan 8.230 nan 0.000 0.500 448 G N 1.551 110.209 108.800 -0.237 0.000 2.378 448 G HA2 0.512 4.476 3.960 0.006 0.000 0.255 448 G HA3 0.512 4.476 3.960 0.006 0.000 0.255 448 G C -0.399 174.181 174.900 -0.535 0.000 1.270 448 G CA 0.088 44.663 45.100 -0.875 0.000 0.876 448 G HN 1.179 nan 8.290 nan 0.000 0.521 449 V N 0.157 119.761 119.914 -0.517 0.000 3.007 449 V HA 0.580 4.703 4.120 0.006 0.000 0.311 449 V C -0.289 175.619 176.094 -0.310 0.000 1.120 449 V CA -1.565 60.547 62.300 -0.314 0.000 0.980 449 V CB 2.334 34.047 31.823 -0.184 0.000 1.033 449 V HN 0.466 nan 8.190 nan 0.000 0.429 450 N N 2.314 120.881 118.700 -0.223 0.000 3.324 450 N HA 0.477 5.221 4.740 0.006 0.000 0.302 450 N C -0.297 175.139 175.510 -0.122 0.000 1.360 450 N CA 0.532 53.473 53.050 -0.183 0.000 1.190 450 N CB -0.116 38.277 38.487 -0.156 0.000 1.462 450 N HN 1.142 nan 8.380 nan 0.000 0.532 451 S N -1.223 114.411 115.700 -0.110 0.000 2.688 451 S HA 0.422 4.896 4.470 0.006 0.000 0.275 451 S C -1.149 173.424 174.600 -0.046 0.000 1.175 451 S CA -1.048 57.113 58.200 -0.065 0.000 0.818 451 S CB 1.183 64.352 63.200 -0.052 0.000 1.157 451 S HN -0.009 nan 8.310 nan 0.000 0.482 452 D N 2.003 122.393 120.400 -0.017 0.000 2.414 452 D HA 0.520 5.164 4.640 0.006 0.000 0.242 452 D C 0.492 176.812 176.300 0.033 0.000 1.129 452 D CA 0.686 54.691 54.000 0.009 0.000 0.885 452 D CB 1.117 41.926 40.800 0.016 0.000 1.198 452 D HN 0.776 nan 8.370 nan 0.000 0.437 453 T N -2.246 112.346 114.554 0.065 0.000 2.804 453 T HA 0.715 5.068 4.350 0.006 0.000 0.290 453 T C -0.688 174.109 174.700 0.162 0.000 1.099 453 T CA -0.914 61.261 62.100 0.124 0.000 1.011 453 T CB 1.644 70.593 68.868 0.135 0.000 1.291 453 T HN 0.195 nan 8.240 nan 0.000 0.523 454 V N -0.545 119.519 119.914 0.249 0.000 3.012 454 V HA 0.771 4.894 4.120 0.006 0.000 0.307 454 V C 0.080 176.406 176.094 0.387 0.000 1.166 454 V CA -0.136 62.313 62.300 0.248 0.000 0.974 454 V CB 1.910 33.827 31.823 0.156 0.000 1.040 454 V HN 1.467 nan 8.190 nan 0.000 0.428 455 G N 3.079 112.071 108.800 0.320 0.000 2.415 455 G HA2 0.553 4.517 3.960 0.006 0.000 0.269 455 G HA3 0.553 4.517 3.960 0.006 0.000 0.269 455 G C -1.380 173.732 174.900 0.354 0.000 1.209 455 G CA 0.025 45.349 45.100 0.373 0.000 0.835 455 G HN 0.844 nan 8.290 nan 0.000 0.534 456 W N -0.049 121.265 121.300 0.023 0.000 2.894 456 W HA 0.638 5.302 4.660 0.006 0.000 0.424 456 W C -0.844 175.507 176.519 -0.281 0.000 1.072 456 W CA -1.014 56.109 57.345 -0.369 0.000 1.194 456 W CB 1.303 30.148 29.460 -1.026 0.000 1.471 456 W HN 0.614 nan 8.180 nan 0.000 0.608 457 S N 1.545 116.818 115.700 -0.711 0.000 2.605 457 S HA 0.549 5.023 4.470 0.006 0.000 0.308 457 S C -1.466 172.761 174.600 -0.620 0.000 1.113 457 S CA -0.423 57.513 58.200 -0.440 0.000 1.049 457 S CB 0.309 63.294 63.200 -0.359 0.000 1.001 457 S HN 0.319 nan 8.310 nan 0.000 0.480 458 W N 6.831 128.134 121.300 0.005 0.000 2.165 458 W HA 0.292 4.955 4.660 0.006 0.000 0.288 458 W C -2.624 173.931 176.519 0.060 0.000 0.900 458 W CA -1.700 55.661 57.345 0.027 0.000 1.914 458 W CB 0.841 30.422 29.460 0.201 0.000 2.091 458 W HN 0.531 nan 8.180 nan 0.000 0.399 459 P HA 0.081 nan 4.420 nan 0.000 0.282 459 P C 0.717 178.110 177.300 0.155 0.000 1.287 459 P CA 0.036 63.223 63.100 0.144 0.000 0.792 459 P CB 1.685 33.417 31.700 0.053 0.000 1.163 460 D N -0.234 120.266 120.400 0.168 0.000 2.087 460 D HA -0.124 4.519 4.640 0.006 0.000 0.192 460 D C 1.419 177.802 176.300 0.139 0.000 0.993 460 D CA 2.970 57.068 54.000 0.164 0.000 0.828 460 D CB -0.753 40.163 40.800 0.192 0.000 0.968 460 D HN 0.683 nan 8.370 nan 0.000 0.448 461 G N -0.961 107.916 108.800 0.128 0.000 2.175 461 G HA2 -0.164 3.800 3.960 0.006 0.000 0.244 461 G HA3 -0.164 3.800 3.960 0.006 0.000 0.244 461 G C 0.389 175.369 174.900 0.134 0.000 0.982 461 G CA 0.553 45.717 45.100 0.106 0.000 0.641 461 G HN 0.771 nan 8.290 nan 0.000 0.527 462 A N 0.042 122.968 122.820 0.177 0.000 2.351 462 A HA 0.636 4.960 4.320 0.006 0.000 0.257 462 A C 0.250 177.965 177.584 0.217 0.000 1.087 462 A CA -0.042 52.139 52.037 0.240 0.000 0.798 462 A CB 0.423 19.613 19.000 0.318 0.000 1.033 462 A HN 0.246 nan 8.150 nan 0.000 0.488 463 E N 1.418 121.776 120.200 0.263 0.000 2.092 463 E HA 0.470 4.823 4.350 0.006 0.000 0.271 463 E C -1.264 175.489 176.600 0.256 0.000 0.919 463 E CA -0.365 56.160 56.400 0.208 0.000 0.760 463 E CB 1.284 31.085 29.700 0.169 0.000 1.106 463 E HN 0.412 nan 8.360 nan 0.000 0.408 464 L N 4.073 125.375 121.223 0.132 0.000 2.334 464 L HA 0.465 4.809 4.340 0.006 0.000 0.270 464 L C -1.710 175.188 176.870 0.047 0.000 1.018 464 L CA -1.643 53.218 54.840 0.036 0.000 0.811 464 L CB 0.305 42.282 42.059 -0.136 0.000 1.271 464 L HN 0.365 nan 8.230 nan 0.000 0.443 465 P HA 0.298 nan 4.420 nan 0.000 0.274 465 P C -0.645 176.836 177.300 0.301 0.000 1.256 465 P CA -0.339 62.782 63.100 0.036 0.000 0.795 465 P CB 0.570 32.282 31.700 0.020 0.000 1.038 466 F N -0.710 119.374 119.950 0.223 0.000 2.266 466 F HA 0.181 4.711 4.527 0.005 0.000 0.306 466 F C 2.330 178.211 175.800 0.136 0.000 1.016 466 F CA -1.103 57.016 58.000 0.197 0.000 1.127 466 F CB -1.137 38.015 39.000 0.253 0.000 1.735 466 F HN 0.216 nan 8.300 nan 0.000 0.540 467 S N -0.415 115.472 115.700 0.310 0.000 2.357 467 S HA 0.097 4.570 4.470 0.006 0.000 0.221 467 S C 0.777 175.474 174.600 0.162 0.000 1.031 467 S CA 0.861 59.160 58.200 0.165 0.000 0.982 467 S CB -0.056 63.194 63.200 0.084 0.000 0.853 467 S HN 0.270 nan 8.310 nan 0.000 0.458 468 I N 0.000 120.691 120.570 0.202 0.000 2.984 468 I HA 0.000 4.174 4.170 0.006 0.000 0.288 468 I CA 0.000 61.408 61.300 0.180 0.000 1.566 468 I CB 0.000 38.072 38.000 0.120 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494