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 2i60_1_G DATA FIRST_RESID 83 DATA SEQUENCE EVKLENVTEN FNMWKNNMVE QMHEDIISLW DQSLKPcVKL TPLcVGAXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XGScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNDKK DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSTQLLLN GSLAEEEIVI RSENFTNNAK DATA SEQUENCE TIIVQLNESV VINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE LSKTQWENTL EQIAIKLKEQ FGNNKTIIFN PSSGGDPEIV THSFNcGGEF DATA SEQUENCE FYcNSTQLFT WNDXXXXXXX XXXXXXXXXR NITLPcRIKQ IINMWQEVGK DATA SEQUENCE AMYAPPIRGQ IRcSSNITGL LLTRDGGKDT NGTEIFRPGG GDMRDNWRSE DATA SEQUENCE LYKYKVVKIE 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 E HA 0.000 nan 4.350 nan 0.000 0.291 83 E C 0.000 176.600 176.600 0.000 0.000 1.382 83 E CA 0.000 56.400 56.400 -0.000 0.000 0.976 83 E CB 0.000 29.700 29.700 0.000 0.000 0.812 84 V N 2.419 122.333 119.914 -0.000 0.000 2.599 84 V HA 0.088 4.207 4.120 -0.001 0.000 0.300 84 V C 0.069 176.163 176.094 -0.000 0.000 1.034 84 V CA 0.486 62.786 62.300 -0.000 0.000 1.115 84 V CB 0.938 32.761 31.823 -0.001 0.000 0.934 84 V HN 0.153 nan 8.190 nan 0.000 0.485 85 K N 6.072 126.472 120.400 0.000 0.000 2.130 85 K HA 0.447 4.766 4.320 -0.001 0.000 0.268 85 K C -0.611 175.989 176.600 0.001 0.000 0.983 85 K CA -0.760 55.527 56.287 0.001 0.000 0.893 85 K CB 1.485 33.986 32.500 0.001 0.000 1.066 85 K HN 0.770 nan 8.250 nan 0.000 0.450 86 L N 2.902 124.125 121.223 0.000 0.000 2.371 86 L HA 0.312 4.651 4.340 -0.001 0.000 0.272 86 L C -0.620 176.250 176.870 0.001 0.000 1.124 86 L CA 0.149 54.990 54.840 0.000 0.000 0.816 86 L CB 0.802 42.861 42.059 -0.000 0.000 1.129 86 L HN 0.828 nan 8.230 nan 0.000 0.448 87 E N 2.934 123.135 120.200 0.002 0.000 2.366 87 E HA 0.322 4.671 4.350 -0.001 0.000 0.278 87 E C -1.415 175.187 176.600 0.003 0.000 0.923 87 E CA -0.941 55.460 56.400 0.003 0.000 0.761 87 E CB 1.433 31.136 29.700 0.004 0.000 1.231 87 E HN 0.672 nan 8.360 nan 0.000 0.443 88 N N 0.990 119.692 118.700 0.004 0.000 2.513 88 N HA 0.173 4.912 4.740 -0.001 0.000 0.274 88 N C -0.942 174.574 175.510 0.010 0.000 1.189 88 N CA -0.372 52.682 53.050 0.006 0.000 0.975 88 N CB 1.631 40.120 38.487 0.004 0.000 1.157 88 N HN 0.218 nan 8.380 nan 0.000 0.465 89 V N 2.050 121.971 119.914 0.012 0.000 2.353 89 V HA 0.248 4.367 4.120 -0.001 0.000 0.264 89 V C 0.072 176.182 176.094 0.028 0.000 1.049 89 V CA -0.431 61.878 62.300 0.015 0.000 0.896 89 V CB -0.291 31.538 31.823 0.010 0.000 1.025 89 V HN 0.846 nan 8.190 nan 0.000 0.475 90 T N 4.176 118.749 114.554 0.032 0.000 2.897 90 T HA 0.566 4.916 4.350 -0.001 0.000 0.294 90 T C -0.392 174.345 174.700 0.062 0.000 1.004 90 T CA -0.608 61.524 62.100 0.053 0.000 1.106 90 T CB 1.384 70.282 68.868 0.049 0.000 0.949 90 T HN 0.676 nan 8.240 nan 0.000 0.520 91 E N 2.125 122.396 120.200 0.118 0.000 2.317 91 E HA 0.380 4.730 4.350 -0.001 0.000 0.270 91 E C -0.769 175.932 176.600 0.168 0.000 0.885 91 E CA -0.889 55.548 56.400 0.062 0.000 0.760 91 E CB 2.000 31.658 29.700 -0.071 0.000 1.227 91 E HN 0.627 nan 8.360 nan 0.000 0.434 92 N N 1.642 120.369 118.700 0.044 0.000 2.438 92 N HA 0.371 5.110 4.740 -0.001 0.000 0.282 92 N C -0.984 174.579 175.510 0.089 0.000 1.037 92 N CA -0.093 53.062 53.050 0.176 0.000 0.942 92 N CB 0.582 39.138 38.487 0.115 0.000 1.136 92 N HN 0.184 nan 8.380 nan 0.000 0.481 93 F N 0.809 120.862 119.950 0.172 0.000 2.523 93 F HA 0.422 4.948 4.527 -0.001 0.000 0.329 93 F C 0.703 176.611 175.800 0.180 0.000 1.061 93 F CA -1.032 57.088 58.000 0.200 0.000 0.967 93 F CB 1.156 40.362 39.000 0.344 0.000 1.218 93 F HN 0.278 nan 8.300 nan 0.000 0.480 94 N N 1.965 120.851 118.700 0.311 0.000 2.701 94 N HA 0.147 4.886 4.740 -0.001 0.000 0.258 94 N C 0.236 175.809 175.510 0.106 0.000 1.262 94 N CA -0.320 52.853 53.050 0.206 0.000 0.780 94 N CB 0.807 39.403 38.487 0.181 0.000 1.380 94 N HN 0.717 nan 8.380 nan 0.000 0.548 95 M N -0.266 119.302 119.600 -0.052 0.000 2.346 95 M HA 0.076 4.556 4.480 -0.001 0.000 0.263 95 M C 0.240 176.299 176.300 -0.401 0.000 1.064 95 M CA 1.269 56.411 55.300 -0.264 0.000 1.083 95 M CB -0.219 32.089 32.600 -0.487 0.000 1.399 95 M HN 0.334 nan 8.290 nan 0.000 0.435 96 W N 1.819 123.155 121.300 0.060 0.000 3.139 96 W HA 0.192 4.851 4.660 -0.001 0.000 0.260 96 W C 0.565 177.104 176.519 0.033 0.000 1.312 96 W CA -0.073 57.288 57.345 0.028 0.000 1.606 96 W CB 0.240 29.698 29.460 -0.003 0.000 1.118 96 W HN 0.100 nan 8.180 nan 0.000 0.675 97 K N 1.008 121.511 120.400 0.172 0.000 3.271 97 K HA 0.096 4.416 4.320 -0.001 0.000 0.192 97 K C -0.502 176.143 176.600 0.076 0.000 1.108 97 K CA -0.293 56.066 56.287 0.121 0.000 0.902 97 K CB 0.080 32.651 32.500 0.119 0.000 0.889 97 K HN -0.208 nan 8.250 nan 0.000 0.520 98 N N 1.028 119.763 118.700 0.058 0.000 2.424 98 N HA 0.136 4.875 4.740 -0.001 0.000 0.271 98 N C 0.093 175.614 175.510 0.019 0.000 0.985 98 N CA -0.188 52.885 53.050 0.039 0.000 0.921 98 N CB 1.201 39.716 38.487 0.047 0.000 1.149 98 N HN 0.053 nan 8.380 nan 0.000 0.492 99 N N 2.750 121.447 118.700 -0.004 0.000 2.550 99 N HA 0.068 4.808 4.740 -0.001 0.000 0.186 99 N C 1.372 176.840 175.510 -0.070 0.000 1.110 99 N CA 0.745 53.780 53.050 -0.025 0.000 0.912 99 N CB 0.030 38.495 38.487 -0.037 0.000 0.968 99 N HN 0.619 nan 8.380 nan 0.000 0.448 100 M N -0.994 118.551 119.600 -0.092 0.000 2.229 100 M HA -0.092 4.387 4.480 -0.001 0.000 0.264 100 M C 1.648 177.845 176.300 -0.171 0.000 1.063 100 M CA 0.828 56.006 55.300 -0.205 0.000 1.114 100 M CB 0.007 32.498 32.600 -0.181 0.000 1.387 100 M HN -0.019 nan 8.290 nan 0.000 0.420 101 V N 0.408 120.306 119.914 -0.026 0.000 2.295 101 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 101 V C 2.334 178.504 176.094 0.127 0.000 1.049 101 V CA 1.717 64.070 62.300 0.089 0.000 1.024 101 V CB -0.675 31.219 31.823 0.118 0.000 0.648 101 V HN 0.412 nan 8.190 nan 0.000 0.447 102 E N -0.136 120.112 120.200 0.081 0.000 2.110 102 E HA -0.253 4.096 4.350 -0.001 0.000 0.193 102 E C 2.140 178.795 176.600 0.092 0.000 0.988 102 E CA 1.279 57.753 56.400 0.123 0.000 0.804 102 E CB -0.341 29.405 29.700 0.076 0.000 0.745 102 E HN 0.606 nan 8.360 nan 0.000 0.458 103 Q N 0.587 120.367 119.800 -0.033 0.000 2.079 103 Q HA -0.046 4.293 4.340 -0.001 0.000 0.200 103 Q C 2.116 178.068 176.000 -0.080 0.000 0.974 103 Q CA 1.382 57.132 55.803 -0.088 0.000 0.840 103 Q CB -0.275 28.328 28.738 -0.224 0.000 0.898 103 Q HN 0.305 nan 8.270 nan 0.000 0.430 104 M N -1.161 118.335 119.600 -0.174 0.000 2.117 104 M HA -0.208 4.271 4.480 -0.001 0.000 0.262 104 M C 1.876 178.080 176.300 -0.161 0.000 1.065 104 M CA 2.009 57.209 55.300 -0.165 0.000 1.114 104 M CB -0.255 32.156 32.600 -0.314 0.000 1.361 104 M HN 0.415 nan 8.290 nan 0.000 0.408 105 H N 0.537 119.559 119.070 -0.080 0.000 2.290 105 H HA -0.166 4.390 4.556 -0.001 0.000 0.298 105 H C 1.886 177.319 175.328 0.176 0.000 1.087 105 H CA 2.286 58.470 56.048 0.226 0.000 1.291 105 H CB -0.041 29.967 29.762 0.410 0.000 1.369 105 H HN 0.354 nan 8.280 nan 0.000 0.492 106 E N 0.329 120.608 120.200 0.131 0.000 2.085 106 E HA -0.146 4.203 4.350 -0.001 0.000 0.194 106 E C 1.920 178.533 176.600 0.023 0.000 0.994 106 E CA 1.263 57.688 56.400 0.042 0.000 0.801 106 E CB -0.255 29.477 29.700 0.054 0.000 0.743 106 E HN 0.623 nan 8.360 nan 0.000 0.453 107 D N 0.420 120.841 120.400 0.036 0.000 2.097 107 D HA -0.119 4.520 4.640 -0.001 0.000 0.197 107 D C 1.972 178.300 176.300 0.047 0.000 0.984 107 D CA 0.561 54.588 54.000 0.046 0.000 0.826 107 D CB -0.222 40.633 40.800 0.090 0.000 0.973 107 D HN 0.132 nan 8.370 nan 0.000 0.460 108 I N 1.021 121.593 120.570 0.004 0.000 2.335 108 I HA -0.193 3.976 4.170 -0.001 0.000 0.251 108 I C 2.456 178.703 176.117 0.217 0.000 1.129 108 I CA 0.729 62.079 61.300 0.084 0.000 1.402 108 I CB -0.950 37.022 38.000 -0.047 0.000 1.069 108 I HN 0.073 nan 8.210 nan 0.000 0.424 109 I N 0.291 120.934 120.570 0.121 0.000 2.252 109 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 109 I C 2.532 178.695 176.117 0.077 0.000 1.102 109 I CA 1.041 62.327 61.300 -0.024 0.000 1.385 109 I CB -0.244 37.636 38.000 -0.200 0.000 1.064 109 I HN 0.122 nan 8.210 nan 0.000 0.414 110 S N 0.781 116.528 115.700 0.079 0.000 2.368 110 S HA -0.091 4.379 4.470 -0.001 0.000 0.224 110 S C 1.920 176.607 174.600 0.144 0.000 1.029 110 S CA 0.969 59.221 58.200 0.088 0.000 0.988 110 S CB -0.154 63.081 63.200 0.058 0.000 0.838 110 S HN 0.224 nan 8.310 nan 0.000 0.462 111 L N -0.124 121.215 121.223 0.194 0.000 2.046 111 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 111 L C 2.040 179.095 176.870 0.309 0.000 1.077 111 L CA 1.499 56.472 54.840 0.222 0.000 0.747 111 L CB -1.812 40.396 42.059 0.248 0.000 0.896 111 L HN 0.430 nan 8.230 nan 0.000 0.432 112 W N 0.286 121.658 121.300 0.121 0.000 2.388 112 W HA -0.158 4.501 4.660 -0.001 0.000 0.294 112 W C 2.383 178.967 176.519 0.107 0.000 1.212 112 W CA 1.019 58.455 57.345 0.152 0.000 1.271 112 W CB -0.591 29.011 29.460 0.236 0.000 1.126 112 W HN 0.211 nan 8.180 nan 0.000 0.535 113 D N -0.086 120.486 120.400 0.286 0.000 2.371 113 D HA -0.124 4.515 4.640 -0.001 0.000 0.221 113 D C 1.675 178.044 176.300 0.115 0.000 0.986 113 D CA 1.017 55.113 54.000 0.161 0.000 0.899 113 D CB 0.007 40.860 40.800 0.090 0.000 0.902 113 D HN 0.484 nan 8.370 nan 0.000 0.530 114 Q N -1.900 117.970 119.800 0.116 0.000 2.164 114 Q HA 0.223 4.563 4.340 -0.001 0.000 0.226 114 Q C 0.651 176.684 176.000 0.053 0.000 0.813 114 Q CA -0.097 55.749 55.803 0.071 0.000 0.978 114 Q CB 0.680 29.452 28.738 0.058 0.000 1.149 114 Q HN -0.080 nan 8.270 nan 0.000 0.489 115 S N -0.013 115.719 115.700 0.054 0.000 2.744 115 S HA 0.223 4.692 4.470 -0.001 0.000 0.265 115 S C -0.100 174.482 174.600 -0.030 0.000 1.065 115 S CA -0.273 57.928 58.200 0.002 0.000 1.191 115 S CB 0.790 63.974 63.200 -0.027 0.000 1.150 115 S HN 0.270 nan 8.310 nan 0.000 0.646 116 L N 2.488 123.719 121.223 0.013 0.000 2.804 116 L HA 0.462 4.801 4.340 -0.001 0.000 0.294 116 L C -0.914 176.147 176.870 0.317 0.000 1.355 116 L CA 0.055 54.920 54.840 0.043 0.000 0.749 116 L CB 0.156 42.012 42.059 -0.339 0.000 1.103 116 L HN -0.119 nan 8.230 nan 0.000 0.542 117 K N 1.734 122.261 120.400 0.213 0.000 2.350 117 K HA 0.364 4.683 4.320 -0.001 0.000 0.279 117 K C -2.318 174.299 176.600 0.028 0.000 1.027 117 K CA -1.488 54.887 56.287 0.145 0.000 0.969 117 K CB 0.497 33.035 32.500 0.063 0.000 0.954 117 K HN 0.159 nan 8.250 nan 0.000 0.474 118 P HA 0.080 nan 4.420 nan 0.000 0.274 118 P C 0.050 177.157 177.300 -0.321 0.000 1.231 118 P CA -0.462 62.231 63.100 -0.678 0.000 0.790 118 P CB 0.698 32.024 31.700 -0.622 0.000 0.951 119 c N 0.942 119.362 118.600 -0.299 0.000 2.450 119 c HA 0.088 4.658 4.570 -0.001 0.000 0.279 119 c C 0.936 174.948 174.090 -0.130 0.000 1.335 119 c CA 0.265 56.506 56.329 -0.147 0.000 1.749 119 c CB -0.504 41.946 42.510 -0.100 0.000 1.963 119 c HN 0.326 nan 8.230 nan 0.000 0.501 120 V N 0.500 120.314 119.914 -0.166 0.000 2.808 120 V HA 0.441 4.560 4.120 -0.001 0.000 0.308 120 V C -0.735 175.275 176.094 -0.141 0.000 1.099 120 V CA -0.686 61.541 62.300 -0.122 0.000 0.920 120 V CB 2.055 33.822 31.823 -0.093 0.000 1.014 120 V HN 0.268 nan 8.190 nan 0.000 0.425 121 K N 4.402 124.740 120.400 -0.102 0.000 2.471 121 K HA 0.743 5.062 4.320 -0.001 0.000 0.252 121 K C -1.788 174.775 176.600 -0.061 0.000 0.938 121 K CA -0.614 55.619 56.287 -0.090 0.000 0.796 121 K CB 1.579 34.029 32.500 -0.083 0.000 1.161 121 K HN 0.680 nan 8.250 nan 0.000 0.425 122 L N 4.093 125.285 121.223 -0.052 0.000 2.325 122 L HA 0.548 4.887 4.340 -0.001 0.000 0.281 122 L C -0.294 176.558 176.870 -0.030 0.000 1.004 122 L CA -0.855 53.963 54.840 -0.038 0.000 0.823 122 L CB 1.662 43.701 42.059 -0.034 0.000 1.236 122 L HN 0.798 nan 8.230 nan 0.000 0.415 123 T N 0.280 114.819 114.554 -0.026 0.000 2.896 123 T HA 0.606 4.955 4.350 -0.001 0.000 0.297 123 T C -2.948 171.743 174.700 -0.015 0.000 1.108 123 T CA -2.375 59.713 62.100 -0.021 0.000 1.004 123 T CB 2.216 71.070 68.868 -0.024 0.000 1.159 123 T HN 0.147 nan 8.240 nan 0.000 0.499 124 P HA 0.415 nan 4.420 nan 0.000 0.276 124 P C -1.202 176.094 177.300 -0.007 0.000 1.235 124 P CA -0.578 62.518 63.100 -0.007 0.000 0.772 124 P CB 0.411 32.109 31.700 -0.004 0.000 0.871 125 L N 5.985 127.204 121.223 -0.007 0.000 2.318 125 L HA 0.422 4.761 4.340 -0.001 0.000 0.277 125 L C -0.946 175.922 176.870 -0.004 0.000 1.008 125 L CA -0.352 54.484 54.840 -0.006 0.000 0.846 125 L CB 0.002 42.056 42.059 -0.008 0.000 1.220 125 L HN 0.408 nan 8.230 nan 0.000 0.423 126 c N 3.055 121.653 118.600 -0.003 0.000 2.564 126 c HA 0.955 5.524 4.570 -0.001 0.000 0.381 126 c C 0.109 174.199 174.090 -0.001 0.000 1.297 126 c CA -0.590 55.739 56.329 -0.001 0.000 1.846 126 c CB 1.721 44.231 42.510 0.000 0.000 2.198 126 c HN 0.740 nan 8.230 nan 0.000 0.507 127 V N -1.426 118.488 119.914 -0.000 0.000 3.159 127 V HA 0.856 4.975 4.120 -0.001 0.000 0.308 127 V C 0.799 176.894 176.094 0.001 0.000 1.190 127 V CA 0.109 62.409 62.300 0.000 0.000 1.037 127 V CB 0.711 32.534 31.823 -0.000 0.000 1.060 127 V HN 1.107 nan 8.190 nan 0.000 0.437 128 G N 0.989 109.790 108.800 0.001 0.000 2.839 128 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.221 128 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.221 128 G C 1.062 175.963 174.900 0.002 0.000 1.271 128 G CA 2.118 47.219 45.100 0.002 0.000 0.789 128 G HN 2.008 nan 8.290 nan 0.000 0.659 195 S N 0.021 115.721 115.700 0.000 0.000 2.499 195 S HA 0.731 5.200 4.470 -0.001 0.000 0.279 195 S C 0.049 174.649 174.600 -0.001 0.000 1.219 195 S CA -0.630 57.570 58.200 -0.001 0.000 1.062 195 S CB 1.631 64.830 63.200 -0.001 0.000 0.978 195 S HN 0.466 nan 8.310 nan 0.000 0.489 196 c N 2.510 121.109 118.600 -0.002 0.000 2.779 196 c HA 0.671 5.240 4.570 -0.001 0.000 0.314 196 c C 0.098 174.185 174.090 -0.004 0.000 1.231 196 c CA -0.986 55.341 56.329 -0.003 0.000 1.652 196 c CB 0.958 43.467 42.510 -0.002 0.000 2.198 196 c HN 1.013 nan 8.230 nan 0.000 0.483 197 N N -0.404 118.293 118.700 -0.005 0.000 2.229 197 N HA 0.496 5.235 4.740 -0.001 0.000 0.298 197 N C -1.140 174.365 175.510 -0.008 0.000 1.114 197 N CA -0.408 52.638 53.050 -0.006 0.000 0.776 197 N CB 1.884 40.367 38.487 -0.006 0.000 1.501 197 N HN 0.620 nan 8.380 nan 0.000 0.474 198 T N 0.834 115.383 114.554 -0.010 0.000 2.901 198 T HA 0.087 4.436 4.350 -0.001 0.000 0.301 198 T C 0.160 174.851 174.700 -0.014 0.000 1.012 198 T CA 0.250 62.343 62.100 -0.012 0.000 1.135 198 T CB 0.792 69.653 68.868 -0.013 0.000 0.936 198 T HN 0.275 nan 8.240 nan 0.000 0.539 199 S N 2.199 117.889 115.700 -0.016 0.000 2.451 199 S HA 0.595 5.064 4.470 -0.001 0.000 0.301 199 S C -0.657 173.929 174.600 -0.023 0.000 1.116 199 S CA -0.734 57.456 58.200 -0.018 0.000 1.093 199 S CB 1.014 64.204 63.200 -0.017 0.000 1.017 199 S HN 0.567 nan 8.310 nan 0.000 0.482 200 V N 7.134 127.034 119.914 -0.024 0.000 2.487 200 V HA 0.649 4.769 4.120 -0.001 0.000 0.298 200 V C -1.178 174.897 176.094 -0.032 0.000 1.028 200 V CA -0.746 61.535 62.300 -0.030 0.000 0.860 200 V CB 1.335 33.141 31.823 -0.029 0.000 0.991 200 V HN 0.913 nan 8.190 nan 0.000 0.427 201 I N 5.770 126.316 120.570 -0.039 0.000 2.436 201 I HA 0.460 4.629 4.170 -0.001 0.000 0.289 201 I C -0.311 175.777 176.117 -0.048 0.000 1.010 201 I CA -0.368 60.909 61.300 -0.039 0.000 1.098 201 I CB 2.295 40.272 38.000 -0.038 0.000 1.266 201 I HN 0.510 nan 8.210 nan 0.000 0.434 202 T N 6.311 120.841 114.554 -0.041 0.000 2.770 202 T HA 0.499 4.848 4.350 -0.001 0.000 0.283 202 T C -0.488 174.190 174.700 -0.037 0.000 0.988 202 T CA -0.715 61.359 62.100 -0.044 0.000 0.957 202 T CB 1.350 70.196 68.868 -0.036 0.000 0.930 202 T HN 0.668 nan 8.240 nan 0.000 0.443 203 Q N 1.404 121.179 119.800 -0.042 0.000 2.626 203 Q HA 0.790 5.129 4.340 -0.001 0.000 0.300 203 Q C -1.161 174.822 176.000 -0.028 0.000 0.988 203 Q CA -1.501 54.284 55.803 -0.030 0.000 0.761 203 Q CB 1.655 30.377 28.738 -0.027 0.000 1.494 203 Q HN 0.606 nan 8.270 nan 0.000 0.439 204 A N 0.463 123.274 122.820 -0.015 0.000 2.511 204 A HA 0.401 4.721 4.320 -0.001 0.000 0.242 204 A C 0.377 177.959 177.584 -0.004 0.000 1.069 204 A CA -0.008 52.024 52.037 -0.008 0.000 0.763 204 A CB -0.456 18.543 19.000 -0.001 0.000 1.001 204 A HN 0.929 nan 8.150 nan 0.000 0.498 205 c N 1.974 120.575 118.600 0.002 0.000 3.414 205 c HA 0.556 5.125 4.570 -0.001 0.000 0.208 205 c C -2.145 171.971 174.090 0.043 0.000 1.422 205 c CA -1.970 54.372 56.329 0.022 0.000 1.437 205 c CB -0.632 41.876 42.510 -0.003 0.000 1.850 205 c HN 0.734 nan 8.230 nan 0.000 0.481 206 P HA 0.177 nan 4.420 nan 0.000 0.271 206 P C -0.395 176.928 177.300 0.038 0.000 1.220 206 P CA 0.697 63.815 63.100 0.030 0.000 0.768 206 P CB 0.948 32.658 31.700 0.018 0.000 0.848 207 K N 1.900 122.320 120.400 0.033 0.000 2.322 207 K HA 0.365 4.684 4.320 -0.001 0.000 0.283 207 K C -0.377 176.226 176.600 0.006 0.000 1.042 207 K CA -0.515 55.788 56.287 0.027 0.000 0.958 207 K CB 1.264 33.780 32.500 0.027 0.000 0.984 207 K HN 0.315 nan 8.250 nan 0.000 0.473 208 V N 1.747 121.654 119.914 -0.011 0.000 2.925 208 V HA 0.291 4.410 4.120 -0.001 0.000 0.311 208 V C -0.613 175.461 176.094 -0.034 0.000 1.104 208 V CA -0.658 61.629 62.300 -0.021 0.000 0.954 208 V CB 2.433 34.241 31.823 -0.026 0.000 1.022 208 V HN 0.814 nan 8.190 nan 0.000 0.427 209 S N 4.310 119.994 115.700 -0.026 0.000 2.533 209 S HA 0.597 5.066 4.470 -0.001 0.000 0.282 209 S C -0.318 174.258 174.600 -0.041 0.000 1.304 209 S CA 0.520 58.704 58.200 -0.027 0.000 1.063 209 S CB 0.434 63.623 63.200 -0.018 0.000 0.881 209 S HN 1.255 nan 8.310 nan 0.000 0.493 210 F N 1.849 121.769 119.950 -0.049 0.000 2.513 210 F HA 0.554 5.081 4.527 -0.001 0.000 0.358 210 F C 0.085 175.857 175.800 -0.047 0.000 1.118 210 F CA -1.181 56.781 58.000 -0.063 0.000 1.037 210 F CB 0.036 38.973 39.000 -0.106 0.000 1.276 210 F HN 0.725 nan 8.300 nan 0.000 0.446 211 E N 2.807 122.985 120.200 -0.037 0.000 2.248 211 E HA 0.482 4.831 4.350 -0.001 0.000 0.272 211 E C -2.534 174.048 176.600 -0.029 0.000 1.008 211 E CA -1.625 54.757 56.400 -0.029 0.000 0.856 211 E CB 1.774 31.459 29.700 -0.025 0.000 1.120 211 E HN 0.582 nan 8.360 nan 0.000 0.397 212 P HA 0.102 nan 4.420 nan 0.000 0.271 212 P C -0.956 176.327 177.300 -0.029 0.000 1.233 212 P CA 0.056 63.144 63.100 -0.020 0.000 0.764 212 P CB 0.304 31.996 31.700 -0.013 0.000 0.825 213 I N 5.950 126.500 120.570 -0.034 0.000 2.306 213 I HA 0.232 4.401 4.170 -0.001 0.000 0.288 213 I C -2.080 173.995 176.117 -0.070 0.000 1.036 213 I CA -2.893 58.376 61.300 -0.051 0.000 1.221 213 I CB 0.705 38.675 38.000 -0.050 0.000 1.385 213 I HN 0.137 nan 8.210 nan 0.000 0.472 214 P HA 0.225 nan 4.420 nan 0.000 0.267 214 P C -0.464 176.728 177.300 -0.180 0.000 1.205 214 P CA -0.008 63.024 63.100 -0.114 0.000 0.765 214 P CB 0.570 32.202 31.700 -0.112 0.000 0.828 215 I N 0.080 120.536 120.570 -0.191 0.000 3.206 215 I HA 0.815 4.985 4.170 -0.001 0.000 0.313 215 I C -0.233 175.745 176.117 -0.231 0.000 1.103 215 I CA -0.999 60.154 61.300 -0.244 0.000 0.985 215 I CB 1.841 39.701 38.000 -0.234 0.000 1.240 215 I HN 0.599 nan 8.210 nan 0.000 0.464 216 H N -1.486 117.362 119.070 -0.370 0.000 2.987 216 H HA 0.536 5.092 4.556 -0.001 0.000 0.316 216 H C -2.180 172.835 175.328 -0.522 0.000 1.380 216 H CA -1.026 54.793 56.048 -0.382 0.000 1.160 216 H CB 0.851 30.470 29.762 -0.239 0.000 1.865 216 H HN 0.602 nan 8.280 nan 0.000 0.521 217 Y N 0.667 120.850 120.300 -0.195 0.000 2.341 217 Y HA 0.485 5.034 4.550 -0.001 0.000 0.337 217 Y C -0.111 175.583 175.900 -0.343 0.000 1.014 217 Y CA -0.474 57.478 58.100 -0.247 0.000 1.111 217 Y CB 1.589 39.916 38.460 -0.222 0.000 1.194 217 Y HN 0.616 nan 8.280 nan 0.000 0.462 218 c N 1.919 120.418 118.600 -0.169 0.000 2.470 218 c HA 0.859 5.428 4.570 -0.001 0.000 0.341 218 c C 0.295 174.342 174.090 -0.072 0.000 1.190 218 c CA -1.143 55.074 56.329 -0.186 0.000 1.904 218 c CB 1.033 43.400 42.510 -0.239 0.000 2.354 218 c HN 0.912 nan 8.230 nan 0.000 0.509 219 A N 2.362 125.154 122.820 -0.047 0.000 2.331 219 A HA 0.674 4.993 4.320 -0.001 0.000 0.283 219 A C -2.424 175.178 177.584 0.031 0.000 1.142 219 A CA -0.686 51.355 52.037 0.006 0.000 0.812 219 A CB -0.387 18.641 19.000 0.047 0.000 1.074 219 A HN 0.744 nan 8.150 nan 0.000 0.497 220 P HA 0.411 nan 4.420 nan 0.000 0.276 220 P C -0.166 177.229 177.300 0.158 0.000 1.244 220 P CA -0.288 62.860 63.100 0.080 0.000 0.801 220 P CB 0.710 32.443 31.700 0.054 0.000 1.006 221 A N 1.371 124.259 122.820 0.113 0.000 2.546 221 A HA 0.405 4.724 4.320 -0.001 0.000 0.243 221 A C 1.429 179.091 177.584 0.130 0.000 1.063 221 A CA 1.001 53.092 52.037 0.090 0.000 0.757 221 A CB -1.508 17.524 19.000 0.052 0.000 0.991 221 A HN 0.881 nan 8.150 nan 0.000 0.503 222 G N 0.909 109.732 108.800 0.038 0.000 2.259 222 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.217 222 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.217 222 G C -0.049 174.614 174.900 -0.395 0.000 1.001 222 G CA 0.189 45.194 45.100 -0.159 0.000 0.627 222 G HN 0.833 nan 8.290 nan 0.000 0.501 223 F N 0.856 120.798 119.950 -0.013 0.000 2.631 223 F HA 0.893 5.420 4.527 -0.001 0.000 0.328 223 F C 0.425 176.216 175.800 -0.015 0.000 1.067 223 F CA -0.508 57.482 58.000 -0.016 0.000 0.969 223 F CB 2.087 41.077 39.000 -0.018 0.000 1.332 223 F HN 0.448 nan 8.300 nan 0.000 0.490 224 A N 0.844 123.779 122.820 0.193 0.000 2.515 224 A HA 0.853 5.172 4.320 -0.001 0.000 0.296 224 A C -1.419 176.222 177.584 0.094 0.000 1.094 224 A CA -0.654 51.444 52.037 0.103 0.000 0.718 224 A CB 1.262 20.297 19.000 0.058 0.000 1.307 224 A HN 0.666 nan 8.150 nan 0.000 0.408 225 I N 2.046 122.662 120.570 0.077 0.000 2.328 225 I HA 0.223 4.392 4.170 -0.001 0.000 0.287 225 I C -0.965 175.238 176.117 0.142 0.000 1.012 225 I CA -0.627 60.730 61.300 0.095 0.000 1.195 225 I CB 1.164 39.204 38.000 0.067 0.000 1.350 225 I HN 0.398 nan 8.210 nan 0.000 0.464 226 L N 6.806 128.111 121.223 0.137 0.000 2.395 226 L HA 0.329 4.668 4.340 -0.001 0.000 0.269 226 L C 0.091 177.136 176.870 0.293 0.000 1.133 226 L CA 0.059 54.999 54.840 0.167 0.000 0.812 226 L CB 0.625 42.719 42.059 0.060 0.000 1.125 226 L HN 0.485 nan 8.230 nan 0.000 0.452 227 K N 2.130 122.655 120.400 0.208 0.000 2.507 227 K HA 0.368 4.688 4.320 -0.001 0.000 0.252 227 K C -1.242 175.260 176.600 -0.163 0.000 0.943 227 K CA -0.468 55.822 56.287 0.006 0.000 0.808 227 K CB 1.332 33.822 32.500 -0.018 0.000 1.142 227 K HN 0.664 nan 8.250 nan 0.000 0.426 228 c N 4.735 123.027 118.600 -0.514 0.000 2.499 228 c HA 0.364 4.933 4.570 -0.001 0.000 0.386 228 c C 0.411 174.152 174.090 -0.581 0.000 1.293 228 c CA -0.389 55.422 56.329 -0.863 0.000 1.884 228 c CB -0.671 40.728 42.510 -1.853 0.000 2.509 228 c HN 0.928 nan 8.230 nan 0.000 0.566 229 N N 2.784 121.237 118.700 -0.412 0.000 2.203 229 N HA 0.092 4.831 4.740 -0.001 0.000 0.207 229 N C -0.577 174.811 175.510 -0.205 0.000 1.130 229 N CA -0.074 52.822 53.050 -0.256 0.000 0.861 229 N CB 0.187 38.576 38.487 -0.163 0.000 1.005 229 N HN 0.731 nan 8.380 nan 0.000 0.507 230 D N 1.898 122.133 120.400 -0.275 0.000 2.443 230 D HA 0.034 4.673 4.640 -0.001 0.000 0.239 230 D C 0.472 176.756 176.300 -0.027 0.000 1.136 230 D CA 0.613 54.528 54.000 -0.142 0.000 0.879 230 D CB 1.047 41.756 40.800 -0.152 0.000 1.195 230 D HN -0.031 nan 8.370 nan 0.000 0.443 231 K N 1.580 121.978 120.400 -0.003 0.000 2.401 231 K HA 0.026 4.345 4.320 -0.001 0.000 0.278 231 K C 0.622 177.257 176.600 0.059 0.000 1.018 231 K CA -0.365 55.934 56.287 0.021 0.000 0.981 231 K CB 0.405 32.908 32.500 0.004 0.000 0.933 231 K HN 0.255 nan 8.250 nan 0.000 0.477 232 K N 2.116 122.556 120.400 0.066 0.000 3.035 232 K HA -0.211 4.108 4.320 -0.001 0.000 0.262 232 K C -0.852 175.818 176.600 0.118 0.000 1.024 232 K CA 0.267 56.591 56.287 0.061 0.000 0.748 232 K CB -1.823 30.690 32.500 0.022 0.000 1.247 232 K HN 0.546 nan 8.250 nan 0.000 0.482 233 F N 0.912 120.860 119.950 -0.004 0.000 2.608 233 F HA 0.138 4.664 4.527 -0.001 0.000 0.380 233 F C 1.343 177.151 175.800 0.014 0.000 1.083 233 F CA 0.280 58.278 58.000 -0.004 0.000 1.266 233 F CB 0.348 39.340 39.000 -0.014 0.000 1.076 233 F HN 0.250 nan 8.300 nan 0.000 0.574 234 N N 2.857 121.289 118.700 -0.448 0.000 2.354 234 N HA 0.079 4.818 4.740 -0.001 0.000 0.179 234 N C 1.479 176.604 175.510 -0.641 0.000 1.021 234 N CA 1.386 54.190 53.050 -0.409 0.000 0.887 234 N CB 0.016 38.396 38.487 -0.178 0.000 0.974 234 N HN 0.930 nan 8.380 nan 0.000 0.437 235 G N -1.647 106.238 108.800 -1.525 0.000 2.218 235 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 235 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 235 G C 0.008 174.664 174.900 -0.407 0.000 0.994 235 G CA 0.455 45.007 45.100 -0.914 0.000 0.637 235 G HN 0.640 nan 8.290 nan 0.000 0.505 236 T N -2.167 112.216 114.554 -0.284 0.000 2.933 236 T HA 0.890 5.239 4.350 -0.001 0.000 0.305 236 T C 0.375 175.180 174.700 0.175 0.000 1.092 236 T CA 0.600 62.759 62.100 0.099 0.000 1.008 236 T CB 2.320 71.294 68.868 0.177 0.000 1.102 236 T HN 2.332 nan 8.240 nan 0.000 0.469 237 G N 1.902 110.867 108.800 0.274 0.000 2.422 237 G HA2 0.212 4.171 3.960 -0.001 0.000 0.607 237 G HA3 0.212 4.171 3.960 -0.001 0.000 0.607 237 G C -3.369 171.734 174.900 0.339 0.000 1.270 237 G CA -0.575 44.677 45.100 0.254 0.000 0.992 237 G HN 0.820 nan 8.290 nan 0.000 0.499 238 P HA 0.486 nan 4.420 nan 0.000 0.288 238 P C -0.502 176.911 177.300 0.188 0.000 1.267 238 P CA -0.275 62.966 63.100 0.235 0.000 0.815 238 P CB 1.772 33.559 31.700 0.145 0.000 0.989 239 c N 3.610 122.287 118.600 0.129 0.000 2.298 239 c HA 0.337 4.906 4.570 -0.001 0.000 0.323 239 c C 2.203 176.258 174.090 -0.058 0.000 1.284 239 c CA 0.219 56.462 56.329 -0.142 0.000 1.577 239 c CB -0.237 41.890 42.510 -0.638 0.000 2.249 239 c HN 0.801 nan 8.230 nan 0.000 0.497 240 T N 2.170 116.683 114.554 -0.068 0.000 2.701 240 T HA -0.048 4.301 4.350 -0.001 0.000 0.263 240 T C 0.582 175.252 174.700 -0.050 0.000 1.040 240 T CA 1.113 63.191 62.100 -0.035 0.000 1.147 240 T CB -0.255 68.598 68.868 -0.025 0.000 0.865 240 T HN 0.731 nan 8.240 nan 0.000 0.426 241 N N 2.165 120.809 118.700 -0.093 0.000 2.801 241 N HA 0.498 5.237 4.740 -0.001 0.000 0.235 241 N C -1.108 174.330 175.510 -0.119 0.000 1.069 241 N CA -0.231 52.767 53.050 -0.086 0.000 0.946 241 N CB 1.673 40.110 38.487 -0.083 0.000 1.212 241 N HN 0.322 nan 8.380 nan 0.000 0.509 242 V N 1.151 121.026 119.914 -0.066 0.000 2.850 242 V HA 0.778 4.897 4.120 -0.001 0.000 0.315 242 V C -0.104 175.986 176.094 -0.008 0.000 1.064 242 V CA -0.312 61.964 62.300 -0.040 0.000 0.979 242 V CB 1.832 33.700 31.823 0.075 0.000 1.039 242 V HN 0.714 nan 8.190 nan 0.000 0.452 243 S N 2.760 118.465 115.700 0.009 0.000 2.705 243 S HA 0.661 5.130 4.470 -0.001 0.000 0.280 243 S C -0.588 174.046 174.600 0.056 0.000 1.174 243 S CA -0.491 57.722 58.200 0.022 0.000 0.823 243 S CB 1.763 64.965 63.200 0.004 0.000 1.162 243 S HN 1.046 nan 8.310 nan 0.000 0.487 244 T N 0.405 114.991 114.554 0.053 0.000 2.863 244 T HA 0.742 5.092 4.350 -0.001 0.000 0.285 244 T C -0.932 173.811 174.700 0.072 0.000 1.009 244 T CA -0.346 61.795 62.100 0.069 0.000 0.989 244 T CB 0.920 69.818 68.868 0.049 0.000 1.004 244 T HN 1.599 nan 8.240 nan 0.000 0.455 245 V N 3.040 123.008 119.914 0.089 0.000 3.007 245 V HA 0.617 4.737 4.120 -0.001 0.000 0.311 245 V C 0.818 176.934 176.094 0.036 0.000 1.120 245 V CA -0.848 61.496 62.300 0.074 0.000 0.980 245 V CB 1.757 33.652 31.823 0.120 0.000 1.033 245 V HN 0.763 nan 8.190 nan 0.000 0.429 246 Q N 1.377 121.182 119.800 0.008 0.000 2.083 246 Q HA 0.183 4.522 4.340 -0.001 0.000 0.198 246 Q C 0.418 176.365 176.000 -0.089 0.000 0.969 246 Q CA 1.873 57.661 55.803 -0.026 0.000 0.838 246 Q CB -0.163 28.560 28.738 -0.026 0.000 0.900 246 Q HN 0.966 nan 8.270 nan 0.000 0.436 247 c N -0.306 118.221 118.600 -0.121 0.000 2.994 247 c HA 0.661 5.231 4.570 -0.001 0.000 0.304 247 c C 0.177 174.163 174.090 -0.173 0.000 1.273 247 c CA -0.628 55.545 56.329 -0.260 0.000 1.537 247 c CB 1.151 43.306 42.510 -0.591 0.000 2.001 247 c HN 0.563 nan 8.230 nan 0.000 0.471 248 T N -0.658 113.721 114.554 -0.291 0.000 2.726 248 T HA 0.271 4.620 4.350 -0.001 0.000 0.294 248 T C 0.380 175.028 174.700 -0.087 0.000 1.013 248 T CA -0.045 61.804 62.100 -0.417 0.000 0.996 248 T CB 0.163 68.536 68.868 -0.825 0.000 1.016 248 T HN 0.865 nan 8.240 nan 0.000 0.529 249 H N -0.414 118.698 119.070 0.070 0.000 2.822 249 H HA 0.286 4.841 4.556 -0.001 0.000 0.373 249 H C 0.855 176.235 175.328 0.087 0.000 1.223 249 H CA -0.454 55.666 56.048 0.119 0.000 1.436 249 H CB -0.580 29.275 29.762 0.155 0.000 1.439 249 H HN 0.949 nan 8.280 nan 0.000 0.618 250 G N 0.811 109.656 108.800 0.074 0.000 2.398 250 G HA2 0.396 4.355 3.960 -0.001 0.000 0.246 250 G HA3 0.396 4.355 3.960 -0.001 0.000 0.246 250 G C -0.205 174.678 174.900 -0.029 0.000 1.289 250 G CA -0.546 44.526 45.100 -0.047 0.000 0.869 250 G HN 0.628 nan 8.290 nan 0.000 0.543 251 I N 1.358 121.872 120.570 -0.094 0.000 2.569 251 I HA 0.391 4.560 4.170 -0.001 0.000 0.296 251 I C 0.099 176.200 176.117 -0.027 0.000 1.028 251 I CA -0.863 60.415 61.300 -0.037 0.000 1.082 251 I CB 2.609 40.563 38.000 -0.078 0.000 1.264 251 I HN 0.398 nan 8.210 nan 0.000 0.429 252 R N 4.808 125.322 120.500 0.023 0.000 2.860 252 R HA 0.341 4.680 4.340 -0.001 0.000 0.282 252 R C -2.523 173.811 176.300 0.057 0.000 1.408 252 R CA -1.619 54.493 56.100 0.020 0.000 1.636 252 R CB 0.160 30.473 30.300 0.022 0.000 1.187 252 R HN 0.286 nan 8.270 nan 0.000 0.611 253 P HA -0.095 nan 4.420 nan 0.000 0.264 253 P C -0.708 176.695 177.300 0.172 0.000 1.179 253 P CA 0.214 63.378 63.100 0.106 0.000 0.763 253 P CB 0.732 32.394 31.700 -0.063 0.000 0.806 254 V N 4.063 124.138 119.914 0.267 0.000 2.668 254 V HA 0.161 4.281 4.120 -0.001 0.000 0.304 254 V C -0.125 176.090 176.094 0.202 0.000 1.071 254 V CA -0.742 61.685 62.300 0.211 0.000 0.894 254 V CB 2.420 34.319 31.823 0.127 0.000 1.008 254 V HN 0.183 nan 8.190 nan 0.000 0.425 255 V N 5.075 125.079 119.914 0.150 0.000 2.432 255 V HA 0.712 4.831 4.120 -0.001 0.000 0.271 255 V C 0.452 176.516 176.094 -0.049 0.000 1.046 255 V CA 0.556 62.781 62.300 -0.125 0.000 0.945 255 V CB 1.078 32.662 31.823 -0.398 0.000 0.992 255 V HN 1.158 nan 8.190 nan 0.000 0.471 256 S N 3.539 119.168 115.700 -0.118 0.000 2.724 256 S HA 0.823 5.292 4.470 -0.001 0.000 0.278 256 S C -0.577 174.003 174.600 -0.033 0.000 1.190 256 S CA -0.163 58.041 58.200 0.006 0.000 0.860 256 S CB 2.334 65.613 63.200 0.131 0.000 1.206 256 S HN 1.017 nan 8.310 nan 0.000 0.507 257 T N -2.375 112.224 114.554 0.074 0.000 2.894 257 T HA 0.692 5.041 4.350 -0.001 0.000 0.309 257 T C 0.099 174.884 174.700 0.142 0.000 1.208 257 T CA 0.010 62.142 62.100 0.053 0.000 1.016 257 T CB 1.504 70.390 68.868 0.030 0.000 1.192 257 T HN 0.962 nan 8.240 nan 0.000 0.491 258 Q N -0.507 119.317 119.800 0.040 0.000 2.755 258 Q HA -0.203 4.136 4.340 -0.001 0.000 0.190 258 Q C -0.292 175.715 176.000 0.011 0.000 2.840 258 Q CA 1.805 57.610 55.803 0.003 0.000 0.265 258 Q CB -1.450 27.295 28.738 0.011 0.000 0.240 258 Q HN 0.759 nan 8.270 nan 0.000 0.447 259 L N 1.499 122.691 121.223 -0.052 0.000 2.346 259 L HA 0.570 4.909 4.340 -0.001 0.000 0.276 259 L C -0.183 176.662 176.870 -0.041 0.000 1.006 259 L CA -0.678 54.088 54.840 -0.123 0.000 0.817 259 L CB 1.383 43.163 42.059 -0.465 0.000 1.272 259 L HN 0.070 nan 8.230 nan 0.000 0.421 260 L N 4.315 125.522 121.223 -0.027 0.000 2.276 260 L HA 0.471 4.810 4.340 -0.001 0.000 0.286 260 L C -0.502 176.357 176.870 -0.019 0.000 1.061 260 L CA -0.324 54.510 54.840 -0.009 0.000 0.807 260 L CB 1.110 43.171 42.059 0.004 0.000 1.177 260 L HN 0.416 nan 8.230 nan 0.000 0.429 261 L N 4.484 125.700 121.223 -0.012 0.000 2.317 261 L HA 0.429 4.769 4.340 -0.001 0.000 0.281 261 L C 0.135 177.005 176.870 -0.001 0.000 1.024 261 L CA -0.788 54.027 54.840 -0.040 0.000 0.810 261 L CB 1.284 43.284 42.059 -0.098 0.000 1.240 261 L HN 0.659 nan 8.230 nan 0.000 0.427 262 N N 1.364 120.058 118.700 -0.011 0.000 2.735 262 N HA -0.149 4.590 4.740 -0.001 0.000 0.248 262 N C 0.047 175.588 175.510 0.052 0.000 1.083 262 N CA 0.971 54.028 53.050 0.012 0.000 0.703 262 N CB -1.048 37.443 38.487 0.008 0.000 1.005 262 N HN 0.980 nan 8.380 nan 0.000 0.550 263 G N -1.188 107.650 108.800 0.062 0.000 2.736 263 G HA2 0.609 4.569 3.960 -0.001 0.000 0.229 263 G HA3 0.609 4.569 3.960 -0.001 0.000 0.229 263 G C -0.281 174.676 174.900 0.095 0.000 1.380 263 G CA -0.247 44.916 45.100 0.106 0.000 1.040 263 G HN 0.148 nan 8.290 nan 0.000 0.568 264 S N -0.581 115.189 115.700 0.117 0.000 2.554 264 S HA 0.488 4.958 4.470 -0.001 0.000 0.278 264 S C 0.002 174.631 174.600 0.049 0.000 1.242 264 S CA -0.394 57.846 58.200 0.067 0.000 1.051 264 S CB 1.157 64.370 63.200 0.021 0.000 0.986 264 S HN 0.354 nan 8.310 nan 0.000 0.502 265 L N 1.874 123.110 121.223 0.022 0.000 2.416 265 L HA 0.615 4.954 4.340 -0.001 0.000 0.262 265 L C 0.642 177.519 176.870 0.012 0.000 1.093 265 L CA -0.843 54.004 54.840 0.011 0.000 0.801 265 L CB 0.657 42.716 42.059 -0.001 0.000 1.191 265 L HN 0.702 nan 8.230 nan 0.000 0.459 266 A N 0.805 123.627 122.820 0.004 0.000 2.340 266 A HA 0.254 4.573 4.320 -0.001 0.000 0.268 266 A C 0.744 178.326 177.584 -0.003 0.000 1.100 266 A CA -0.332 51.709 52.037 0.007 0.000 0.803 266 A CB 0.389 19.383 19.000 -0.011 0.000 1.043 266 A HN 0.906 nan 8.150 nan 0.000 0.488 267 E N 0.935 121.135 120.200 0.000 0.000 2.033 267 E HA -0.099 4.250 4.350 -0.001 0.000 0.189 267 E C 0.829 177.422 176.600 -0.011 0.000 0.979 267 E CA 0.839 57.234 56.400 -0.008 0.000 0.802 267 E CB -0.027 29.667 29.700 -0.009 0.000 0.763 267 E HN 0.760 nan 8.360 nan 0.000 0.449 268 E N 1.602 121.796 120.200 -0.009 0.000 3.381 268 E HA 0.063 4.412 4.350 -0.001 0.000 0.509 268 E C 0.769 177.357 176.600 -0.020 0.000 0.319 268 E CA 0.492 56.884 56.400 -0.014 0.000 3.013 268 E CB -0.243 29.450 29.700 -0.011 0.000 2.197 268 E HN 0.172 nan 8.360 nan 0.000 0.410 269 E N 0.282 120.468 120.200 -0.024 0.000 2.504 269 E HA 0.398 4.747 4.350 -0.001 0.000 0.253 269 E C 0.276 176.852 176.600 -0.039 0.000 1.151 269 E CA -0.701 55.679 56.400 -0.033 0.000 0.972 269 E CB 0.777 30.456 29.700 -0.035 0.000 1.247 269 E HN 0.144 nan 8.360 nan 0.000 0.519 270 I N 1.187 121.726 120.570 -0.052 0.000 2.813 270 I HA -0.002 4.167 4.170 -0.001 0.000 0.287 270 I C -0.317 175.767 176.117 -0.056 0.000 1.196 270 I CA 0.132 61.395 61.300 -0.061 0.000 1.421 270 I CB 0.339 38.290 38.000 -0.081 0.000 1.365 270 I HN 0.085 nan 8.210 nan 0.000 0.591 271 V N 6.609 126.488 119.914 -0.058 0.000 2.789 271 V HA 0.517 4.637 4.120 -0.001 0.000 0.311 271 V C -0.261 175.806 176.094 -0.045 0.000 1.073 271 V CA -0.676 61.589 62.300 -0.058 0.000 0.921 271 V CB 2.079 33.855 31.823 -0.077 0.000 1.009 271 V HN 0.588 nan 8.190 nan 0.000 0.426 272 I N 1.594 122.168 120.570 0.005 0.000 2.608 272 I HA 0.841 5.010 4.170 -0.001 0.000 0.295 272 I C -0.714 175.533 176.117 0.216 0.000 1.049 272 I CA -0.723 60.637 61.300 0.099 0.000 1.063 272 I CB 2.159 40.255 38.000 0.159 0.000 1.248 272 I HN 0.547 nan 8.210 nan 0.000 0.424 273 R N 3.521 124.133 120.500 0.187 0.000 2.673 273 R HA 0.702 5.041 4.340 -0.001 0.000 0.281 273 R C -1.227 175.133 176.300 0.101 0.000 0.991 273 R CA -0.850 55.376 56.100 0.209 0.000 0.896 273 R CB 2.329 32.670 30.300 0.069 0.000 1.201 273 R HN 0.824 nan 8.270 nan 0.000 0.457 274 S N 0.032 115.603 115.700 -0.214 0.000 2.541 274 S HA 0.088 4.557 4.470 -0.001 0.000 0.271 274 S C 0.323 174.387 174.600 -0.894 0.000 1.133 274 S CA -0.733 57.016 58.200 -0.752 0.000 0.876 274 S CB 1.992 64.336 63.200 -1.426 0.000 1.105 274 S HN 0.823 nan 8.310 nan 0.000 0.470 275 E N 1.955 121.074 120.200 -1.802 0.000 2.409 275 E HA -0.067 4.282 4.350 -0.001 0.000 0.198 275 E C -0.035 176.170 176.600 -0.659 0.000 1.024 275 E CA 0.678 56.107 56.400 -1.617 0.000 0.861 275 E CB 0.111 28.843 29.700 -1.613 0.000 0.788 275 E HN 0.481 nan 8.360 nan 0.000 0.521 276 N N -1.143 117.222 118.700 -0.559 0.000 3.466 276 N HA -0.026 4.713 4.740 -0.001 0.000 0.217 276 N C -0.862 174.521 175.510 -0.212 0.000 1.265 276 N CA -0.336 52.556 53.050 -0.263 0.000 0.887 276 N CB -0.500 37.874 38.487 -0.189 0.000 1.626 276 N HN -0.068 nan 8.380 nan 0.000 0.700 277 F N 0.945 120.854 119.950 -0.068 0.000 2.293 277 F HA -0.058 4.468 4.527 -0.001 0.000 0.300 277 F C 2.239 178.135 175.800 0.160 0.000 1.086 277 F CA 1.347 59.372 58.000 0.040 0.000 1.375 277 F CB 0.166 39.084 39.000 -0.137 0.000 1.045 277 F HN 0.422 nan 8.300 nan 0.000 0.516 278 T N -1.126 113.566 114.554 0.231 0.000 2.777 278 T HA -0.172 4.177 4.350 -0.001 0.000 0.266 278 T C 1.012 175.780 174.700 0.114 0.000 1.040 278 T CA 0.712 62.923 62.100 0.185 0.000 1.141 278 T CB -0.441 68.487 68.868 0.100 0.000 0.868 278 T HN -0.012 nan 8.240 nan 0.000 0.444 279 N N 2.932 121.655 118.700 0.040 0.000 2.431 279 N HA -0.013 4.726 4.740 -0.001 0.000 0.265 279 N C 0.786 176.293 175.510 -0.006 0.000 1.184 279 N CA -0.138 52.908 53.050 -0.008 0.000 0.943 279 N CB 0.258 38.710 38.487 -0.059 0.000 1.080 279 N HN 0.371 nan 8.380 nan 0.000 0.477 280 N N 3.034 121.733 118.700 -0.001 0.000 2.515 280 N HA -0.081 4.658 4.740 -0.001 0.000 0.185 280 N C 0.841 176.331 175.510 -0.033 0.000 1.109 280 N CA 0.264 53.308 53.050 -0.010 0.000 0.903 280 N CB 0.039 38.506 38.487 -0.034 0.000 0.969 280 N HN 0.461 nan 8.380 nan 0.000 0.450 281 A N 0.599 123.391 122.820 -0.047 0.000 2.123 281 A HA 0.047 4.367 4.320 -0.001 0.000 0.214 281 A C 0.948 178.484 177.584 -0.080 0.000 1.152 281 A CA 0.371 52.376 52.037 -0.054 0.000 0.728 281 A CB 0.075 19.046 19.000 -0.049 0.000 0.814 281 A HN -0.007 nan 8.150 nan 0.000 0.464 282 K N 1.459 121.787 120.400 -0.120 0.000 2.218 282 K HA 0.343 4.662 4.320 -0.001 0.000 0.276 282 K C -0.346 176.146 176.600 -0.179 0.000 1.022 282 K CA 0.005 56.172 56.287 -0.200 0.000 0.946 282 K CB 0.719 33.022 32.500 -0.328 0.000 1.000 282 K HN 0.187 nan 8.250 nan 0.000 0.468 283 T N 2.471 116.920 114.554 -0.176 0.000 2.910 283 T HA 0.360 4.709 4.350 -0.001 0.000 0.293 283 T C 0.772 175.402 174.700 -0.117 0.000 1.015 283 T CA -0.382 61.662 62.100 -0.093 0.000 1.094 283 T CB 0.543 69.395 68.868 -0.027 0.000 0.968 283 T HN 0.305 nan 8.240 nan 0.000 0.521 284 I N 3.003 123.556 120.570 -0.029 0.000 2.330 284 I HA 0.354 4.523 4.170 -0.001 0.000 0.289 284 I C -0.166 175.985 176.117 0.057 0.000 1.001 284 I CA -0.559 60.736 61.300 -0.010 0.000 1.193 284 I CB 0.874 38.932 38.000 0.096 0.000 1.345 284 I HN 0.447 nan 8.210 nan 0.000 0.461 285 I N 7.188 127.810 120.570 0.088 0.000 2.315 285 I HA 0.262 4.432 4.170 -0.001 0.000 0.291 285 I C -0.303 175.829 176.117 0.026 0.000 1.006 285 I CA -0.705 60.632 61.300 0.060 0.000 1.265 285 I CB 1.344 39.379 38.000 0.058 0.000 1.387 285 I HN 0.188 nan 8.210 nan 0.000 0.475 286 V N 6.594 126.514 119.914 0.009 0.000 2.370 286 V HA 0.229 4.348 4.120 -0.001 0.000 0.279 286 V C 0.069 176.139 176.094 -0.040 0.000 1.029 286 V CA -0.533 61.757 62.300 -0.016 0.000 0.870 286 V CB 1.342 33.148 31.823 -0.029 0.000 0.984 286 V HN 0.732 nan 8.190 nan 0.000 0.451 287 Q N 4.964 124.727 119.800 -0.063 0.000 2.372 287 Q HA 0.523 4.862 4.340 -0.001 0.000 0.259 287 Q C -1.014 174.953 176.000 -0.055 0.000 0.993 287 Q CA -0.555 55.211 55.803 -0.061 0.000 0.854 287 Q CB 1.195 29.874 28.738 -0.098 0.000 1.231 287 Q HN 0.713 nan 8.270 nan 0.000 0.462 288 L N 3.167 124.362 121.223 -0.046 0.000 2.453 288 L HA 0.170 4.509 4.340 -0.001 0.000 0.261 288 L C 1.209 178.056 176.870 -0.039 0.000 1.179 288 L CA -0.346 54.460 54.840 -0.055 0.000 0.813 288 L CB 0.432 42.459 42.059 -0.054 0.000 1.110 288 L HN 0.786 nan 8.230 nan 0.000 0.466 289 N N 0.069 118.743 118.700 -0.044 0.000 2.184 289 N HA 0.059 4.798 4.740 -0.001 0.000 0.206 289 N C -0.287 175.204 175.510 -0.031 0.000 1.151 289 N CA -0.079 52.952 53.050 -0.032 0.000 0.878 289 N CB 0.853 39.320 38.487 -0.034 0.000 1.014 289 N HN 0.636 nan 8.380 nan 0.000 0.512 290 E N 0.248 120.426 120.200 -0.037 0.000 2.287 290 E HA 0.323 4.672 4.350 -0.001 0.000 0.274 290 E C -1.184 175.400 176.600 -0.027 0.000 0.896 290 E CA -0.365 56.016 56.400 -0.032 0.000 0.788 290 E CB 1.595 31.271 29.700 -0.041 0.000 1.244 290 E HN 0.002 nan 8.360 nan 0.000 0.408 291 S N 1.346 117.036 115.700 -0.018 0.000 2.585 291 S HA 0.244 4.714 4.470 -0.001 0.000 0.273 291 S C -0.385 174.212 174.600 -0.005 0.000 1.339 291 S CA -0.461 57.732 58.200 -0.012 0.000 1.028 291 S CB 1.027 64.218 63.200 -0.015 0.000 0.906 291 S HN 0.330 nan 8.310 nan 0.000 0.528 292 V N 3.486 123.405 119.914 0.007 0.000 2.357 292 V HA 0.239 4.358 4.120 -0.001 0.000 0.281 292 V C 0.004 176.084 176.094 -0.023 0.000 1.015 292 V CA -0.776 61.539 62.300 0.025 0.000 0.827 292 V CB 1.165 33.065 31.823 0.128 0.000 1.018 292 V HN 0.685 nan 8.190 nan 0.000 0.432 293 V N 5.595 125.488 119.914 -0.036 0.000 2.999 293 V HA 0.257 4.376 4.120 -0.001 0.000 0.307 293 V C 0.116 176.152 176.094 -0.097 0.000 1.084 293 V CA 0.269 62.530 62.300 -0.065 0.000 1.155 293 V CB 1.405 33.197 31.823 -0.050 0.000 0.975 293 V HN 0.781 nan 8.190 nan 0.000 0.490 294 I N 3.550 124.042 120.570 -0.131 0.000 2.563 294 I HA 0.432 4.601 4.170 -0.001 0.000 0.285 294 I C -1.120 174.898 176.117 -0.166 0.000 1.123 294 I CA -0.424 60.776 61.300 -0.166 0.000 1.059 294 I CB 1.377 39.239 38.000 -0.229 0.000 1.229 294 I HN 0.581 nan 8.210 nan 0.000 0.442 295 N N 6.645 125.262 118.700 -0.138 0.000 2.399 295 N HA 0.551 5.291 4.740 -0.001 0.000 0.295 295 N C -1.226 174.194 175.510 -0.150 0.000 1.048 295 N CA -0.280 52.694 53.050 -0.126 0.000 0.886 295 N CB 1.974 40.411 38.487 -0.084 0.000 1.185 295 N HN 0.465 nan 8.380 nan 0.000 0.487 296 c N 0.416 118.943 118.600 -0.122 0.000 2.529 296 c HA 0.760 5.329 4.570 -0.001 0.000 0.329 296 c C 0.535 174.634 174.090 0.015 0.000 1.194 296 c CA -0.514 55.765 56.329 -0.083 0.000 1.779 296 c CB 1.676 44.189 42.510 0.005 0.000 2.322 296 c HN 0.612 nan 8.230 nan 0.000 0.500 297 T N 0.072 114.662 114.554 0.060 0.000 2.926 297 T HA 0.477 4.826 4.350 -0.001 0.000 0.289 297 T C 1.171 176.029 174.700 0.264 0.000 1.054 297 T CA 0.042 62.254 62.100 0.186 0.000 1.015 297 T CB 1.630 70.673 68.868 0.291 0.000 1.167 297 T HN 0.902 nan 8.240 nan 0.000 0.526 298 G N 0.177 109.095 108.800 0.197 0.000 2.509 298 G HA2 0.276 4.235 3.960 -0.001 0.000 0.218 298 G HA3 0.276 4.235 3.960 -0.001 0.000 0.218 298 G C 0.736 175.710 174.900 0.123 0.000 1.124 298 G CA 0.504 45.679 45.100 0.124 0.000 0.776 298 G HN 0.944 nan 8.290 nan 0.000 0.547 330 H N -1.732 117.417 119.070 0.131 0.000 3.153 330 H HA 0.451 5.006 4.556 -0.001 0.000 0.323 330 H C -1.659 173.742 175.328 0.120 0.000 1.096 330 H CA -0.899 55.216 56.048 0.112 0.000 1.385 330 H CB 0.495 30.301 29.762 0.074 0.000 2.027 330 H HN 0.132 nan 8.280 nan 0.000 0.499 331 c N 3.344 121.879 118.600 -0.109 0.000 2.411 331 c HA 0.498 5.067 4.570 -0.001 0.000 0.330 331 c C 0.030 174.016 174.090 -0.174 0.000 1.224 331 c CA -0.633 55.586 56.329 -0.184 0.000 1.770 331 c CB 0.874 43.359 42.510 -0.041 0.000 2.297 331 c HN 0.714 nan 8.230 nan 0.000 0.507 332 N N 2.054 120.640 118.700 -0.190 0.000 2.421 332 N HA 0.683 5.422 4.740 -0.001 0.000 0.285 332 N C -1.121 174.324 175.510 -0.108 0.000 1.027 332 N CA -0.388 52.598 53.050 -0.106 0.000 0.918 332 N CB 1.712 40.157 38.487 -0.069 0.000 1.152 332 N HN 0.517 nan 8.380 nan 0.000 0.485 333 L N 0.977 122.140 121.223 -0.099 0.000 2.410 333 L HA 0.368 4.707 4.340 -0.001 0.000 0.270 333 L C 0.001 176.839 176.870 -0.054 0.000 0.983 333 L CA -0.551 54.216 54.840 -0.122 0.000 0.822 333 L CB 1.945 43.855 42.059 -0.249 0.000 1.285 333 L HN 0.479 nan 8.230 nan 0.000 0.409 334 S N 3.909 119.599 115.700 -0.016 0.000 2.515 334 S HA 0.082 4.551 4.470 -0.001 0.000 0.285 334 S C 1.219 175.860 174.600 0.069 0.000 1.265 334 S CA 0.273 58.487 58.200 0.025 0.000 1.079 334 S CB 0.198 63.416 63.200 0.029 0.000 0.877 334 S HN 0.827 nan 8.310 nan 0.000 0.493 335 K N 3.120 123.560 120.400 0.068 0.000 2.025 335 K HA -0.111 4.208 4.320 -0.001 0.000 0.207 335 K C 2.184 178.853 176.600 0.115 0.000 1.049 335 K CA 1.914 58.265 56.287 0.106 0.000 0.933 335 K CB -0.691 31.860 32.500 0.085 0.000 0.714 335 K HN 0.877 nan 8.250 nan 0.000 0.438 336 T N -0.914 113.685 114.554 0.075 0.000 2.777 336 T HA -0.149 4.200 4.350 -0.001 0.000 0.266 336 T C 2.019 176.742 174.700 0.038 0.000 1.040 336 T CA 0.749 62.883 62.100 0.057 0.000 1.141 336 T CB -0.231 68.661 68.868 0.040 0.000 0.868 336 T HN 0.137 nan 8.240 nan 0.000 0.444 337 Q N -0.077 119.750 119.800 0.046 0.000 2.045 337 Q HA -0.148 4.192 4.340 -0.001 0.000 0.206 337 Q C 1.978 177.994 176.000 0.026 0.000 0.991 337 Q CA 1.968 57.790 55.803 0.032 0.000 0.851 337 Q CB -0.723 28.045 28.738 0.050 0.000 0.911 337 Q HN 0.834 nan 8.270 nan 0.000 0.418 338 W N 1.332 122.560 121.300 -0.120 0.000 2.425 338 W HA -0.152 4.507 4.660 -0.001 0.000 0.277 338 W C 1.570 177.954 176.519 -0.226 0.000 1.231 338 W CA 1.374 58.606 57.345 -0.187 0.000 1.248 338 W CB 0.123 29.465 29.460 -0.196 0.000 1.117 338 W HN 0.346 nan 8.180 nan 0.000 0.568 339 E N 0.270 120.378 120.200 -0.154 0.000 2.158 339 E HA -0.182 4.167 4.350 -0.001 0.000 0.191 339 E C 1.784 178.229 176.600 -0.259 0.000 0.982 339 E CA 0.944 57.227 56.400 -0.196 0.000 0.823 339 E CB -0.200 29.548 29.700 0.079 0.000 0.766 339 E HN 0.082 nan 8.360 nan 0.000 0.468 340 N N 0.092 118.679 118.700 -0.188 0.000 2.188 340 N HA -0.100 4.639 4.740 -0.001 0.000 0.184 340 N C 1.733 177.063 175.510 -0.300 0.000 1.018 340 N CA 1.574 54.526 53.050 -0.163 0.000 0.858 340 N CB -0.482 37.946 38.487 -0.099 0.000 0.989 340 N HN 0.139 nan 8.380 nan 0.000 0.426 341 T N 2.118 116.404 114.554 -0.447 0.000 2.684 341 T HA -0.022 4.327 4.350 -0.001 0.000 0.267 341 T C 2.126 176.384 174.700 -0.736 0.000 1.036 341 T CA 0.710 62.465 62.100 -0.575 0.000 1.148 341 T CB -0.256 68.165 68.868 -0.746 0.000 0.863 341 T HN 0.147 nan 8.240 nan 0.000 0.436 342 L N 0.702 121.289 121.223 -1.060 0.000 2.131 342 L HA -0.082 4.257 4.340 -0.001 0.000 0.210 342 L C 2.767 179.132 176.870 -0.842 0.000 1.092 342 L CA 1.258 55.377 54.840 -1.203 0.000 0.759 342 L CB -0.476 40.532 42.059 -1.751 0.000 0.903 342 L HN 0.394 nan 8.230 nan 0.000 0.435 343 E N -0.212 119.634 120.200 -0.591 0.000 2.047 343 E HA -0.239 4.110 4.350 -0.001 0.000 0.191 343 E C 2.148 178.685 176.600 -0.106 0.000 0.987 343 E CA 1.065 57.366 56.400 -0.164 0.000 0.799 343 E CB 0.159 29.868 29.700 0.015 0.000 0.752 343 E HN 0.421 nan 8.360 nan 0.000 0.449 344 Q N 0.256 119.956 119.800 -0.167 0.000 2.172 344 Q HA -0.062 4.277 4.340 -0.001 0.000 0.200 344 Q C 2.349 178.272 176.000 -0.128 0.000 0.964 344 Q CA 0.800 56.530 55.803 -0.121 0.000 0.855 344 Q CB -0.116 28.543 28.738 -0.132 0.000 0.918 344 Q HN 0.466 nan 8.270 nan 0.000 0.444 345 I N 0.682 121.132 120.570 -0.200 0.000 2.226 345 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 345 I C 2.305 178.391 176.117 -0.052 0.000 1.100 345 I CA 1.036 62.245 61.300 -0.153 0.000 1.374 345 I CB -0.401 37.451 38.000 -0.247 0.000 1.057 345 I HN 0.061 nan 8.210 nan 0.000 0.413 346 A N 1.061 123.882 122.820 0.001 0.000 1.902 346 A HA -0.191 4.129 4.320 -0.001 0.000 0.217 346 A C 2.311 179.917 177.584 0.038 0.000 1.181 346 A CA 1.511 53.580 52.037 0.054 0.000 0.623 346 A CB -0.834 18.261 19.000 0.158 0.000 0.818 346 A HN 0.377 nan 8.150 nan 0.000 0.443 347 I N -0.702 119.883 120.570 0.025 0.000 2.208 347 I HA -0.251 3.919 4.170 -0.001 0.000 0.245 347 I C 2.322 178.433 176.117 -0.009 0.000 1.097 347 I CA 1.308 62.619 61.300 0.018 0.000 1.363 347 I CB -0.206 37.797 38.000 0.004 0.000 1.051 347 I HN 0.182 nan 8.210 nan 0.000 0.413 348 K N 0.590 120.970 120.400 -0.034 0.000 2.211 348 K HA -0.034 4.285 4.320 -0.001 0.000 0.203 348 K C 2.051 178.616 176.600 -0.058 0.000 1.050 348 K CA 1.032 57.286 56.287 -0.055 0.000 0.945 348 K CB -0.261 32.200 32.500 -0.064 0.000 0.732 348 K HN 0.357 nan 8.250 nan 0.000 0.451 349 L N 0.568 121.777 121.223 -0.024 0.000 2.093 349 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 349 L C 2.331 179.288 176.870 0.146 0.000 1.085 349 L CA 1.181 56.054 54.840 0.056 0.000 0.755 349 L CB -0.214 41.810 42.059 -0.059 0.000 0.904 349 L HN 0.106 nan 8.230 nan 0.000 0.435 350 K N 0.202 120.655 120.400 0.087 0.000 2.026 350 K HA -0.189 4.130 4.320 -0.001 0.000 0.208 350 K C 1.913 178.520 176.600 0.011 0.000 1.048 350 K CA 1.556 57.894 56.287 0.086 0.000 0.929 350 K CB -0.121 32.413 32.500 0.057 0.000 0.713 350 K HN 0.346 nan 8.250 nan 0.000 0.439 351 E N 0.422 120.598 120.200 -0.041 0.000 2.219 351 E HA -0.230 4.119 4.350 -0.001 0.000 0.198 351 E C 2.120 178.614 176.600 -0.176 0.000 0.998 351 E CA 0.855 57.201 56.400 -0.090 0.000 0.818 351 E CB 0.075 29.718 29.700 -0.094 0.000 0.741 351 E HN 0.248 nan 8.360 nan 0.000 0.477 352 Q N -0.721 118.925 119.800 -0.258 0.000 2.226 352 Q HA 0.044 4.384 4.340 -0.001 0.000 0.199 352 Q C 1.448 177.084 176.000 -0.607 0.000 0.945 352 Q CA 0.877 56.342 55.803 -0.564 0.000 0.861 352 Q CB 0.281 28.461 28.738 -0.930 0.000 0.953 352 Q HN 0.318 nan 8.270 nan 0.000 0.490 353 F N -0.595 119.310 119.950 -0.076 0.000 2.721 353 F HA 0.364 4.890 4.527 -0.001 0.000 0.301 353 F C 0.842 176.639 175.800 -0.005 0.000 1.096 353 F CA 0.457 58.453 58.000 -0.007 0.000 1.308 353 F CB 1.331 40.383 39.000 0.087 0.000 1.086 353 F HN 0.016 nan 8.300 nan 0.000 0.587 354 G N 0.499 109.366 108.800 0.110 0.000 2.397 354 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.453 354 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.453 354 G C -0.422 174.513 174.900 0.058 0.000 1.579 354 G CA -0.837 44.304 45.100 0.068 0.000 0.906 354 G HN 0.123 nan 8.290 nan 0.000 0.675 355 N N 0.059 118.775 118.700 0.027 0.000 2.494 355 N HA -0.053 4.686 4.740 -0.001 0.000 0.182 355 N C 1.311 176.836 175.510 0.025 0.000 1.076 355 N CA 0.177 53.241 53.050 0.023 0.000 0.908 355 N CB 0.135 38.626 38.487 0.007 0.000 0.967 355 N HN 0.349 nan 8.380 nan 0.000 0.449 356 N N 0.558 119.273 118.700 0.025 0.000 2.205 356 N HA 0.075 4.814 4.740 -0.001 0.000 0.201 356 N C -0.465 175.058 175.510 0.021 0.000 1.128 356 N CA 0.263 53.324 53.050 0.018 0.000 0.867 356 N CB 0.667 39.160 38.487 0.011 0.000 0.996 356 N HN 0.167 nan 8.380 nan 0.000 0.503 357 K N 0.947 121.370 120.400 0.038 0.000 2.202 357 K HA 0.202 4.522 4.320 -0.001 0.000 0.264 357 K C -0.076 176.542 176.600 0.031 0.000 1.010 357 K CA 0.039 56.347 56.287 0.036 0.000 0.940 357 K CB 0.764 33.304 32.500 0.067 0.000 0.983 357 K HN -0.052 nan 8.250 nan 0.000 0.475 358 T N 2.042 116.599 114.554 0.005 0.000 2.743 358 T HA 0.318 4.668 4.350 -0.001 0.000 0.293 358 T C 0.042 174.743 174.700 0.001 0.000 0.945 358 T CA -0.714 61.383 62.100 -0.006 0.000 1.030 358 T CB 0.332 69.180 68.868 -0.032 0.000 0.912 358 T HN 0.195 nan 8.240 nan 0.000 0.483 359 I N 4.527 125.116 120.570 0.032 0.000 2.315 359 I HA 0.364 4.533 4.170 -0.001 0.000 0.291 359 I C -0.342 175.755 176.117 -0.034 0.000 1.006 359 I CA -0.735 60.592 61.300 0.045 0.000 1.265 359 I CB 0.750 38.792 38.000 0.071 0.000 1.387 359 I HN 0.513 nan 8.210 nan 0.000 0.475 360 I N 6.978 127.494 120.570 -0.091 0.000 2.533 360 I HA 0.354 4.524 4.170 -0.001 0.000 0.290 360 I C -0.663 175.418 176.117 -0.060 0.000 1.056 360 I CA -0.692 60.575 61.300 -0.054 0.000 1.057 360 I CB 1.493 39.483 38.000 -0.016 0.000 1.240 360 I HN 0.263 nan 8.210 nan 0.000 0.423 361 F N 4.826 125.015 119.950 0.399 0.000 2.404 361 F HA 0.430 4.956 4.527 -0.001 0.000 0.354 361 F C 0.574 176.572 175.800 0.330 0.000 1.122 361 F CA -0.472 57.762 58.000 0.390 0.000 1.080 361 F CB 1.188 40.417 39.000 0.382 0.000 1.131 361 F HN 0.379 nan 8.300 nan 0.000 0.471 362 N N 3.888 122.856 118.700 0.447 0.000 2.292 362 N HA 0.492 5.231 4.740 -0.001 0.000 0.303 362 N C -2.693 172.986 175.510 0.282 0.000 1.140 362 N CA -2.244 50.989 53.050 0.305 0.000 0.788 362 N CB 1.911 40.501 38.487 0.170 0.000 1.361 362 N HN 0.118 nan 8.380 nan 0.000 0.489 363 P HA -0.002 nan 4.420 nan 0.000 0.271 363 P C -0.047 177.288 177.300 0.058 0.000 1.238 363 P CA -0.083 63.111 63.100 0.157 0.000 0.794 363 P CB 0.443 32.234 31.700 0.151 0.000 0.959 364 S N 0.005 115.704 115.700 -0.003 0.000 2.566 364 S HA -0.002 4.467 4.470 -0.001 0.000 0.280 364 S C 1.052 175.661 174.600 0.014 0.000 1.343 364 S CA 0.119 58.307 58.200 -0.021 0.000 1.036 364 S CB -0.390 62.793 63.200 -0.028 0.000 0.866 364 S HN 0.309 nan 8.310 nan 0.000 0.526 365 S N 2.444 118.148 115.700 0.008 0.000 2.593 365 S HA 0.425 4.894 4.470 -0.001 0.000 0.217 365 S C 0.733 175.343 174.600 0.016 0.000 0.966 365 S CA 0.347 58.555 58.200 0.013 0.000 0.914 365 S CB -0.661 62.542 63.200 0.005 0.000 0.776 365 S HN 1.368 nan 8.310 nan 0.000 0.523 366 G N -0.397 108.414 108.800 0.018 0.000 2.525 366 G HA2 0.428 4.387 3.960 -0.001 0.000 0.685 366 G HA3 0.428 4.387 3.960 -0.001 0.000 0.685 366 G C -0.196 174.719 174.900 0.025 0.000 1.290 366 G CA -0.659 44.456 45.100 0.025 0.000 0.915 366 G HN 1.087 nan 8.290 nan 0.000 0.548 367 G N -0.846 107.973 108.800 0.032 0.000 2.278 367 G HA2 0.472 4.431 3.960 -0.001 0.000 0.265 367 G HA3 0.472 4.431 3.960 -0.001 0.000 0.265 367 G C -0.769 174.159 174.900 0.047 0.000 1.329 367 G CA 0.402 45.522 45.100 0.034 0.000 1.017 367 G HN 1.274 nan 8.290 nan 0.000 0.472 368 D N 1.125 121.558 120.400 0.056 0.000 2.406 368 D HA 0.273 4.912 4.640 -0.001 0.000 0.234 368 D C -1.097 175.266 176.300 0.105 0.000 1.196 368 D CA -0.512 53.533 54.000 0.076 0.000 0.881 368 D CB 0.908 41.759 40.800 0.086 0.000 1.205 368 D HN 0.026 nan 8.370 nan 0.000 0.453 369 P HA -0.109 nan 4.420 nan 0.000 0.220 369 P C 0.817 178.292 177.300 0.292 0.000 1.148 369 P CA 1.136 64.357 63.100 0.202 0.000 0.803 369 P CB 0.346 32.147 31.700 0.168 0.000 0.782 370 E N -0.845 119.525 120.200 0.282 0.000 2.110 370 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 370 E C 1.874 178.521 176.600 0.078 0.000 0.988 370 E CA 1.011 57.501 56.400 0.151 0.000 0.804 370 E CB -0.768 29.019 29.700 0.146 0.000 0.745 370 E HN 0.188 nan 8.360 nan 0.000 0.458 371 I N -0.170 120.450 120.570 0.084 0.000 2.333 371 I HA -0.125 4.044 4.170 -0.001 0.000 0.246 371 I C 2.146 178.287 176.117 0.042 0.000 1.106 371 I CA 0.712 62.041 61.300 0.048 0.000 1.411 371 I CB -0.944 37.080 38.000 0.040 0.000 1.082 371 I HN -0.002 nan 8.210 nan 0.000 0.420 372 V N 0.861 120.815 119.914 0.067 0.000 2.358 372 V HA -0.155 3.965 4.120 -0.001 0.000 0.246 372 V C 1.530 177.672 176.094 0.080 0.000 1.047 372 V CA 1.811 64.149 62.300 0.063 0.000 1.035 372 V CB -0.872 30.998 31.823 0.078 0.000 0.658 372 V HN 0.593 nan 8.190 nan 0.000 0.452 373 T N -2.284 112.344 114.554 0.123 0.000 2.897 373 T HA 0.353 4.703 4.350 -0.001 0.000 0.278 373 T C -0.250 174.546 174.700 0.160 0.000 0.981 373 T CA -0.512 61.682 62.100 0.157 0.000 0.973 373 T CB 1.292 70.288 68.868 0.213 0.000 1.092 373 T HN 0.367 nan 8.240 nan 0.000 0.543 374 H N 1.121 120.254 119.070 0.104 0.000 2.846 374 H HA 0.521 5.076 4.556 -0.001 0.000 0.278 374 H C -0.316 175.106 175.328 0.157 0.000 1.117 374 H CA -0.661 55.454 56.048 0.111 0.000 1.406 374 H CB -0.320 29.513 29.762 0.119 0.000 1.445 374 H HN 0.766 nan 8.280 nan 0.000 0.469 375 S N 5.157 120.796 115.700 -0.102 0.000 2.503 375 S HA 0.764 5.233 4.470 -0.001 0.000 0.301 375 S C -0.865 173.643 174.600 -0.154 0.000 1.087 375 S CA -0.735 57.254 58.200 -0.352 0.000 1.042 375 S CB 1.353 64.126 63.200 -0.711 0.000 1.043 375 S HN 0.575 nan 8.310 nan 0.000 0.489 376 F N -1.107 118.657 119.950 -0.309 0.000 2.713 376 F HA 0.604 5.130 4.527 -0.001 0.000 0.311 376 F C -1.281 174.486 175.800 -0.054 0.000 1.141 376 F CA -1.175 56.722 58.000 -0.172 0.000 0.939 376 F CB 1.100 39.960 39.000 -0.234 0.000 1.325 376 F HN 0.592 nan 8.300 nan 0.000 0.453 377 N N 1.147 119.867 118.700 0.034 0.000 2.424 377 N HA 0.386 5.126 4.740 -0.001 0.000 0.271 377 N C -1.895 173.618 175.510 0.006 0.000 0.985 377 N CA -0.084 52.884 53.050 -0.137 0.000 0.921 377 N CB 1.778 40.167 38.487 -0.163 0.000 1.149 377 N HN 0.897 nan 8.380 nan 0.000 0.492 378 c N 3.089 121.683 118.600 -0.010 0.000 2.321 378 c HA 0.603 5.172 4.570 -0.001 0.000 0.323 378 c C 1.158 175.251 174.090 0.005 0.000 1.191 378 c CA 0.424 56.771 56.329 0.030 0.000 1.455 378 c CB -1.011 41.486 42.510 -0.020 0.000 2.083 378 c HN 0.921 nan 8.230 nan 0.000 0.442 379 G N 4.133 112.900 108.800 -0.055 0.000 2.221 379 G HA2 0.117 4.076 3.960 -0.001 0.000 0.265 379 G HA3 0.117 4.076 3.960 -0.001 0.000 0.265 379 G C 1.206 176.018 174.900 -0.146 0.000 1.041 379 G CA 1.138 46.194 45.100 -0.074 0.000 0.807 379 G HN 2.528 nan 8.290 nan 0.000 0.502 380 G N -1.716 106.910 108.800 -0.290 0.000 2.268 380 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.240 380 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.240 380 G C 0.225 174.803 174.900 -0.537 0.000 1.010 380 G CA 0.818 45.649 45.100 -0.448 0.000 0.618 380 G HN 0.982 nan 8.290 nan 0.000 0.516 381 E N 0.172 120.193 120.200 -0.298 0.000 2.301 381 E HA 0.551 4.900 4.350 -0.001 0.000 0.275 381 E C -0.473 175.945 176.600 -0.302 0.000 1.030 381 E CA -0.575 55.695 56.400 -0.218 0.000 0.852 381 E CB 0.448 30.101 29.700 -0.079 0.000 1.060 381 E HN 0.213 nan 8.360 nan 0.000 0.401 382 F N 2.746 122.640 119.950 -0.093 0.000 2.350 382 F HA 0.270 4.796 4.527 -0.001 0.000 0.365 382 F C 0.135 175.897 175.800 -0.064 0.000 1.122 382 F CA -0.551 57.434 58.000 -0.024 0.000 1.139 382 F CB 0.118 39.187 39.000 0.115 0.000 1.220 382 F HN 0.237 nan 8.300 nan 0.000 0.499 383 F N 2.449 122.142 119.950 -0.429 0.000 2.377 383 F HA 0.462 4.988 4.527 -0.001 0.000 0.328 383 F C -0.548 175.015 175.800 -0.395 0.000 1.094 383 F CA -0.980 56.721 58.000 -0.498 0.000 1.093 383 F CB 0.768 39.040 39.000 -1.213 0.000 1.214 383 F HN 0.230 nan 8.300 nan 0.000 0.518 384 Y N 0.946 121.220 120.300 -0.043 0.000 2.332 384 Y HA 0.467 5.017 4.550 -0.001 0.000 0.325 384 Y C -0.733 175.219 175.900 0.087 0.000 1.054 384 Y CA -1.182 56.928 58.100 0.016 0.000 1.119 384 Y CB 1.620 40.092 38.460 0.021 0.000 1.168 384 Y HN 0.482 nan 8.280 nan 0.000 0.439 385 c N 3.105 121.848 118.600 0.237 0.000 2.455 385 c HA 0.376 4.945 4.570 -0.001 0.000 0.320 385 c C 0.159 174.380 174.090 0.218 0.000 1.226 385 c CA -1.334 55.140 56.329 0.241 0.000 1.569 385 c CB 1.214 43.892 42.510 0.279 0.000 2.200 385 c HN 0.841 nan 8.230 nan 0.000 0.491 386 N N 1.421 120.229 118.700 0.180 0.000 2.452 386 N HA -0.015 4.724 4.740 -0.001 0.000 0.266 386 N C 0.828 176.436 175.510 0.164 0.000 1.209 386 N CA 0.396 53.541 53.050 0.158 0.000 0.929 386 N CB 0.990 39.553 38.487 0.128 0.000 1.063 386 N HN 0.860 nan 8.380 nan 0.000 0.472 387 S N 1.606 117.419 115.700 0.189 0.000 2.540 387 S HA 0.009 4.478 4.470 -0.001 0.000 0.218 387 S C 1.439 176.208 174.600 0.281 0.000 0.977 387 S CA -0.175 58.165 58.200 0.233 0.000 0.918 387 S CB -0.056 63.334 63.200 0.318 0.000 0.806 387 S HN 0.566 nan 8.310 nan 0.000 0.496 388 T N 3.443 118.127 114.554 0.216 0.000 2.649 388 T HA -0.270 4.080 4.350 -0.001 0.000 0.268 388 T C 1.739 176.564 174.700 0.208 0.000 1.036 388 T CA 2.175 64.404 62.100 0.216 0.000 1.157 388 T CB -0.549 68.411 68.868 0.152 0.000 0.861 388 T HN 0.568 nan 8.240 nan 0.000 0.445 389 Q N 0.046 119.931 119.800 0.142 0.000 2.291 389 Q HA 0.025 4.365 4.340 -0.001 0.000 0.206 389 Q C 2.243 178.296 176.000 0.089 0.000 0.976 389 Q CA 0.822 56.690 55.803 0.109 0.000 0.875 389 Q CB -0.261 28.514 28.738 0.062 0.000 0.927 389 Q HN 0.514 nan 8.270 nan 0.000 0.450 390 L N -1.284 119.961 121.223 0.037 0.000 2.307 390 L HA 0.028 4.368 4.340 -0.001 0.000 0.211 390 L C 0.486 177.189 176.870 -0.279 0.000 1.099 390 L CA 0.570 55.309 54.840 -0.167 0.000 0.816 390 L CB 0.173 41.902 42.059 -0.550 0.000 0.952 390 L HN 0.174 nan 8.230 nan 0.000 0.455 391 F N -0.439 119.632 119.950 0.203 0.000 2.893 391 F HA 0.240 4.766 4.527 -0.001 0.000 0.340 391 F C 0.141 176.123 175.800 0.303 0.000 1.300 391 F CA -0.183 57.962 58.000 0.241 0.000 1.227 391 F CB 0.443 39.563 39.000 0.200 0.000 1.044 391 F HN -0.268 nan 8.300 nan 0.000 0.512 392 T N 0.118 114.911 114.554 0.399 0.000 3.068 392 T HA 0.278 4.627 4.350 -0.001 0.000 0.364 392 T C -1.604 173.359 174.700 0.437 0.000 1.161 392 T CA -0.480 61.834 62.100 0.357 0.000 1.155 392 T CB 0.522 69.539 68.868 0.248 0.000 1.060 392 T HN 0.391 nan 8.240 nan 0.000 0.513 393 W N 3.329 124.776 121.300 0.244 0.000 3.479 393 W HA 0.544 5.203 4.660 -0.001 0.000 0.304 393 W C -1.934 174.682 176.519 0.163 0.000 1.243 393 W CA -0.521 56.956 57.345 0.219 0.000 1.202 393 W CB 1.320 30.967 29.460 0.312 0.000 1.346 393 W HN 0.267 nan 8.180 nan 0.000 0.539 394 N N 4.083 122.494 118.700 -0.483 0.000 2.269 394 N HA 0.226 4.965 4.740 -0.001 0.000 0.304 394 N C -0.720 174.066 175.510 -1.206 0.000 1.072 394 N CA -0.469 52.261 53.050 -0.533 0.000 0.802 394 N CB 1.858 40.153 38.487 -0.321 0.000 1.348 394 N HN 0.533 nan 8.380 nan 0.000 0.484 413 N N 1.946 120.666 118.700 0.033 0.000 2.458 413 N HA 0.482 5.221 4.740 -0.001 0.000 0.271 413 N C -0.670 174.856 175.510 0.027 0.000 1.210 413 N CA -0.618 52.448 53.050 0.026 0.000 0.978 413 N CB 1.247 39.750 38.487 0.027 0.000 1.206 413 N HN 0.272 nan 8.380 nan 0.000 0.536 414 I N 1.181 121.754 120.570 0.006 0.000 2.420 414 I HA 0.160 4.329 4.170 -0.001 0.000 0.282 414 I C -0.501 175.609 176.117 -0.011 0.000 1.019 414 I CA -0.279 61.018 61.300 -0.005 0.000 1.130 414 I CB 1.569 39.539 38.000 -0.050 0.000 1.262 414 I HN 0.355 nan 8.210 nan 0.000 0.454 415 T N 7.230 121.803 114.554 0.033 0.000 2.799 415 T HA 0.623 4.972 4.350 -0.001 0.000 0.286 415 T C -0.258 174.483 174.700 0.069 0.000 0.973 415 T CA -0.305 61.837 62.100 0.070 0.000 1.035 415 T CB 0.936 69.886 68.868 0.137 0.000 0.932 415 T HN 0.159 nan 8.240 nan 0.000 0.469 416 L N 5.455 126.722 121.223 0.072 0.000 2.333 416 L HA 0.519 4.858 4.340 -0.001 0.000 0.269 416 L C -2.408 174.545 176.870 0.138 0.000 1.010 416 L CA -2.386 52.507 54.840 0.088 0.000 0.818 416 L CB 1.224 43.324 42.059 0.068 0.000 1.306 416 L HN 0.347 nan 8.230 nan 0.000 0.430 417 P HA 0.234 nan 4.420 nan 0.000 0.281 417 P C -1.108 176.287 177.300 0.158 0.000 1.286 417 P CA -0.313 62.869 63.100 0.138 0.000 0.772 417 P CB 0.537 32.301 31.700 0.106 0.000 0.862 418 c N 4.127 122.835 118.600 0.180 0.000 2.595 418 c HA 0.718 5.287 4.570 -0.001 0.000 0.338 418 c C 0.253 174.427 174.090 0.139 0.000 1.219 418 c CA -0.497 55.953 56.329 0.201 0.000 1.811 418 c CB 1.777 44.459 42.510 0.287 0.000 2.313 418 c HN 0.534 nan 8.230 nan 0.000 0.499 419 R N 0.698 121.267 120.500 0.115 0.000 2.626 419 R HA 0.661 5.001 4.340 -0.001 0.000 0.274 419 R C -1.826 174.438 176.300 -0.060 0.000 1.031 419 R CA -0.484 55.626 56.100 0.017 0.000 0.898 419 R CB 1.262 31.566 30.300 0.008 0.000 1.222 419 R HN 0.748 nan 8.270 nan 0.000 0.455 420 I N 3.701 124.168 120.570 -0.171 0.000 2.321 420 I HA 0.325 4.494 4.170 -0.001 0.000 0.291 420 I C -0.166 175.879 176.117 -0.120 0.000 0.998 420 I CA -0.539 60.609 61.300 -0.253 0.000 1.227 420 I CB 1.650 39.416 38.000 -0.390 0.000 1.368 420 I HN 0.354 nan 8.210 nan 0.000 0.466 421 K N 4.843 125.215 120.400 -0.047 0.000 2.156 421 K HA 0.396 4.715 4.320 -0.001 0.000 0.254 421 K C -0.157 176.445 176.600 0.004 0.000 0.950 421 K CA -0.663 55.568 56.287 -0.094 0.000 0.849 421 K CB 2.085 34.404 32.500 -0.303 0.000 1.100 421 K HN 0.393 nan 8.250 nan 0.000 0.434 422 Q N 0.466 120.256 119.800 -0.017 0.000 2.396 422 Q HA 0.258 4.598 4.340 -0.001 0.000 0.220 422 Q C -0.127 175.882 176.000 0.015 0.000 0.900 422 Q CA 0.568 56.399 55.803 0.046 0.000 0.925 422 Q CB 0.569 29.327 28.738 0.033 0.000 1.065 422 Q HN 0.470 nan 8.270 nan 0.000 0.535 423 I N 2.474 123.014 120.570 -0.051 0.000 2.362 423 I HA 0.389 4.558 4.170 -0.001 0.000 0.289 423 I C -0.204 175.855 176.117 -0.097 0.000 0.994 423 I CA -0.813 60.449 61.300 -0.065 0.000 1.158 423 I CB 1.097 39.058 38.000 -0.066 0.000 1.315 423 I HN 0.063 nan 8.210 nan 0.000 0.451 424 I N 2.850 123.378 120.570 -0.070 0.000 3.467 424 I HA 0.586 4.756 4.170 -0.001 0.000 0.314 424 I C -1.435 174.694 176.117 0.019 0.000 1.177 424 I CA -0.961 60.323 61.300 -0.026 0.000 0.943 424 I CB 2.431 40.413 38.000 -0.030 0.000 1.338 424 I HN 0.357 nan 8.210 nan 0.000 0.482 425 N N 2.033 120.786 118.700 0.088 0.000 2.399 425 N HA 0.506 5.246 4.740 -0.001 0.000 0.295 425 N C -0.905 174.677 175.510 0.121 0.000 1.048 425 N CA -0.519 52.583 53.050 0.086 0.000 0.886 425 N CB 2.181 40.729 38.487 0.102 0.000 1.185 425 N HN 0.563 nan 8.380 nan 0.000 0.487 426 M N 1.556 121.205 119.600 0.081 0.000 2.233 426 M HA 0.151 4.630 4.480 -0.001 0.000 0.350 426 M C 1.420 177.781 176.300 0.101 0.000 1.176 426 M CA -0.262 55.077 55.300 0.065 0.000 1.150 426 M CB 1.147 33.724 32.600 -0.038 0.000 1.530 426 M HN 0.685 nan 8.290 nan 0.000 0.459 427 W N 1.215 122.545 121.300 0.051 0.000 2.942 427 W HA 0.062 4.721 4.660 -0.001 0.000 0.263 427 W C 0.614 177.139 176.519 0.010 0.000 1.296 427 W CA 0.145 57.500 57.345 0.017 0.000 1.504 427 W CB -0.392 29.050 29.460 -0.029 0.000 1.096 427 W HN 0.621 nan 8.180 nan 0.000 0.639 428 Q N 1.686 121.051 119.800 -0.724 0.000 2.137 428 Q HA -0.042 4.297 4.340 -0.001 0.000 0.198 428 Q C 0.647 176.499 176.000 -0.247 0.000 0.960 428 Q CA 1.757 57.113 55.803 -0.745 0.000 0.847 428 Q CB 0.063 28.237 28.738 -0.939 0.000 0.915 428 Q HN 0.571 nan 8.270 nan 0.000 0.448 429 E N -2.023 118.082 120.200 -0.158 0.000 2.454 429 E HA 0.442 4.791 4.350 -0.001 0.000 0.279 429 E C -1.201 175.385 176.600 -0.024 0.000 1.029 429 E CA -0.922 55.442 56.400 -0.060 0.000 0.831 429 E CB 1.141 30.798 29.700 -0.072 0.000 1.405 429 E HN -0.214 nan 8.360 nan 0.000 0.463 430 V N 0.719 120.631 119.914 -0.003 0.000 2.508 430 V HA 0.604 4.724 4.120 -0.001 0.000 0.281 430 V C 0.638 176.730 176.094 -0.004 0.000 1.041 430 V CA 1.240 63.545 62.300 0.008 0.000 1.016 430 V CB -0.030 31.801 31.823 0.013 0.000 0.984 430 V HN 0.901 nan 8.190 nan 0.000 0.478 431 G N 4.960 113.760 108.800 0.001 0.000 2.359 431 G HA2 0.261 4.220 3.960 -0.001 0.000 0.293 431 G HA3 0.261 4.220 3.960 -0.001 0.000 0.293 431 G C -1.555 173.343 174.900 -0.004 0.000 1.300 431 G CA -0.972 44.123 45.100 -0.007 0.000 0.888 431 G HN 0.527 nan 8.290 nan 0.000 0.541 432 K N -0.565 119.826 120.400 -0.016 0.000 2.267 432 K HA 0.838 5.157 4.320 -0.001 0.000 0.246 432 K C -0.254 176.320 176.600 -0.042 0.000 0.954 432 K CA -0.403 55.873 56.287 -0.019 0.000 0.824 432 K CB 2.391 34.877 32.500 -0.023 0.000 1.167 432 K HN 1.041 nan 8.250 nan 0.000 0.431 433 A N 1.914 124.704 122.820 -0.050 0.000 2.515 433 A HA 0.734 5.053 4.320 -0.001 0.000 0.296 433 A C -1.487 176.018 177.584 -0.133 0.000 1.094 433 A CA -0.760 51.207 52.037 -0.116 0.000 0.718 433 A CB 1.690 20.628 19.000 -0.104 0.000 1.307 433 A HN 0.730 nan 8.150 nan 0.000 0.408 434 M N 1.705 121.166 119.600 -0.231 0.000 2.259 434 M HA 0.604 5.083 4.480 -0.001 0.000 0.304 434 M C -2.115 174.030 176.300 -0.258 0.000 1.019 434 M CA -0.339 54.871 55.300 -0.150 0.000 0.922 434 M CB 1.281 33.820 32.600 -0.102 0.000 1.600 434 M HN 0.773 nan 8.290 nan 0.000 0.433 435 Y N 1.603 121.885 120.300 -0.030 0.000 2.602 435 Y HA 0.757 5.306 4.550 -0.001 0.000 0.330 435 Y C 0.528 176.443 175.900 0.026 0.000 1.114 435 Y CA -0.578 57.541 58.100 0.032 0.000 1.182 435 Y CB 1.569 40.105 38.460 0.127 0.000 1.305 435 Y HN 0.740 nan 8.280 nan 0.000 0.502 436 A N 2.051 124.994 122.820 0.205 0.000 2.332 436 A HA 0.494 4.813 4.320 -0.001 0.000 0.258 436 A C -2.467 175.178 177.584 0.101 0.000 1.087 436 A CA -1.363 50.739 52.037 0.109 0.000 0.802 436 A CB -0.464 18.585 19.000 0.082 0.000 1.042 436 A HN 0.480 nan 8.150 nan 0.000 0.489 437 P HA 0.254 nan 4.420 nan 0.000 0.271 437 P C -2.458 174.859 177.300 0.028 0.000 1.244 437 P CA -0.764 62.356 63.100 0.033 0.000 0.793 437 P CB -0.332 31.377 31.700 0.015 0.000 0.984 438 P HA 0.091 nan 4.420 nan 0.000 0.272 438 P C 0.745 178.048 177.300 0.004 0.000 1.223 438 P CA -0.014 63.085 63.100 -0.001 0.000 0.784 438 P CB 0.215 31.901 31.700 -0.024 0.000 0.923 439 I N -0.563 120.010 120.570 0.006 0.000 2.260 439 I HA 0.119 4.288 4.170 -0.001 0.000 0.237 439 I C 1.089 177.209 176.117 0.006 0.000 1.075 439 I CA 0.734 62.039 61.300 0.007 0.000 1.376 439 I CB -0.416 37.588 38.000 0.006 0.000 1.107 439 I HN 0.080 nan 8.210 nan 0.000 0.420 440 R N 2.079 122.584 120.500 0.008 0.000 2.441 440 R HA 0.309 4.649 4.340 -0.001 0.000 0.284 440 R C 1.022 177.329 176.300 0.012 0.000 1.070 440 R CA 0.475 56.582 56.100 0.011 0.000 1.047 440 R CB 0.837 31.145 30.300 0.015 0.000 1.016 440 R HN 0.382 nan 8.270 nan 0.000 0.477 441 G N 2.640 111.447 108.800 0.012 0.000 2.586 441 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.218 441 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.218 441 G C -0.070 174.841 174.900 0.020 0.000 1.216 441 G CA 0.623 45.731 45.100 0.013 0.000 0.786 441 G HN 0.628 nan 8.290 nan 0.000 0.583 442 Q N 0.500 120.318 119.800 0.029 0.000 2.322 442 Q HA 0.385 4.724 4.340 -0.001 0.000 0.256 442 Q C -0.984 175.051 176.000 0.058 0.000 0.960 442 Q CA -0.560 55.270 55.803 0.045 0.000 0.934 442 Q CB 0.583 29.350 28.738 0.047 0.000 1.200 442 Q HN 0.121 nan 8.270 nan 0.000 0.435 443 I N 4.895 125.512 120.570 0.078 0.000 2.339 443 I HA 0.424 4.593 4.170 -0.001 0.000 0.290 443 I C 0.292 176.523 176.117 0.191 0.000 0.994 443 I CA -0.186 61.187 61.300 0.121 0.000 1.191 443 I CB 1.137 39.202 38.000 0.109 0.000 1.343 443 I HN 0.709 nan 8.210 nan 0.000 0.458 444 R N 3.621 124.216 120.500 0.158 0.000 2.943 444 R HA 0.815 5.154 4.340 -0.001 0.000 0.246 444 R C -1.151 175.202 176.300 0.088 0.000 1.201 444 R CA -0.638 55.538 56.100 0.128 0.000 1.056 444 R CB 2.275 32.616 30.300 0.068 0.000 1.243 444 R HN 0.641 nan 8.270 nan 0.000 0.498 445 c N 0.201 118.800 118.600 -0.001 0.000 3.135 445 c HA 0.306 4.875 4.570 -0.001 0.000 0.428 445 c C -1.082 172.939 174.090 -0.114 0.000 0.972 445 c CA -0.405 55.874 56.329 -0.084 0.000 1.218 445 c CB 1.230 43.606 42.510 -0.223 0.000 1.595 445 c HN 0.776 nan 8.230 nan 0.000 0.576 446 S N 4.062 119.703 115.700 -0.098 0.000 2.456 446 S HA 0.890 5.359 4.470 -0.001 0.000 0.316 446 S C -0.482 174.045 174.600 -0.122 0.000 1.089 446 S CA -0.117 58.022 58.200 -0.103 0.000 1.101 446 S CB 0.935 64.096 63.200 -0.064 0.000 0.995 446 S HN 0.892 nan 8.310 nan 0.000 0.468 447 S N 4.073 119.679 115.700 -0.157 0.000 2.549 447 S HA 0.504 4.974 4.470 -0.001 0.000 0.280 447 S C -1.168 173.352 174.600 -0.133 0.000 1.109 447 S CA -0.991 57.113 58.200 -0.159 0.000 0.905 447 S CB 1.329 64.378 63.200 -0.252 0.000 1.081 447 S HN 0.760 nan 8.310 nan 0.000 0.477 448 N N 2.028 120.671 118.700 -0.095 0.000 2.426 448 N HA 0.377 5.116 4.740 -0.001 0.000 0.257 448 N C -0.719 174.749 175.510 -0.070 0.000 1.002 448 N CA -0.210 52.799 53.050 -0.069 0.000 0.942 448 N CB 0.778 39.241 38.487 -0.039 0.000 1.112 448 N HN 0.553 nan 8.380 nan 0.000 0.499 449 I N 1.960 122.488 120.570 -0.071 0.000 2.436 449 I HA -0.010 4.159 4.170 -0.001 0.000 0.289 449 I C 1.563 177.673 176.117 -0.012 0.000 1.083 449 I CA 0.189 61.455 61.300 -0.057 0.000 1.372 449 I CB 0.412 38.386 38.000 -0.042 0.000 1.408 449 I HN 0.541 nan 8.210 nan 0.000 0.516 450 T N 1.013 115.561 114.554 -0.010 0.000 2.985 450 T HA 0.411 4.760 4.350 -0.001 0.000 0.254 450 T C 0.581 175.281 174.700 0.001 0.000 1.021 450 T CA 0.008 62.109 62.100 0.001 0.000 0.957 450 T CB 0.710 69.586 68.868 0.014 0.000 1.047 450 T HN 0.707 nan 8.240 nan 0.000 0.511 451 G N 0.511 109.314 108.800 0.004 0.000 2.548 451 G HA2 0.589 4.549 3.960 -0.001 0.000 0.301 451 G HA3 0.589 4.549 3.960 -0.001 0.000 0.301 451 G C -2.507 172.404 174.900 0.018 0.000 1.349 451 G CA -0.915 44.185 45.100 0.000 0.000 0.792 451 G HN 0.242 nan 8.290 nan 0.000 0.481 452 L N -1.066 120.170 121.223 0.021 0.000 2.415 452 L HA 0.682 5.021 4.340 -0.001 0.000 0.256 452 L C -0.641 176.253 176.870 0.041 0.000 1.010 452 L CA -0.526 54.348 54.840 0.057 0.000 0.826 452 L CB 2.233 44.356 42.059 0.106 0.000 1.405 452 L HN 0.469 nan 8.230 nan 0.000 0.410 453 L N 2.813 124.061 121.223 0.041 0.000 2.316 453 L HA 0.652 4.991 4.340 -0.001 0.000 0.280 453 L C -1.013 175.877 176.870 0.033 0.000 1.006 453 L CA -0.264 54.590 54.840 0.023 0.000 0.836 453 L CB 1.197 43.251 42.059 -0.009 0.000 1.221 453 L HN 0.371 nan 8.230 nan 0.000 0.418 454 L N 2.299 123.563 121.223 0.068 0.000 2.301 454 L HA 0.792 5.131 4.340 -0.001 0.000 0.264 454 L C -0.051 176.895 176.870 0.127 0.000 1.016 454 L CA -0.657 54.254 54.840 0.119 0.000 0.821 454 L CB 2.527 44.704 42.059 0.196 0.000 1.346 454 L HN 0.538 nan 8.230 nan 0.000 0.429 455 T N -1.680 112.974 114.554 0.166 0.000 2.903 455 T HA 0.567 4.916 4.350 -0.001 0.000 0.299 455 T C -0.795 174.020 174.700 0.191 0.000 1.093 455 T CA -0.933 61.245 62.100 0.129 0.000 1.002 455 T CB 2.514 71.406 68.868 0.041 0.000 1.127 455 T HN 0.618 nan 8.240 nan 0.000 0.488 456 R N 1.023 121.574 120.500 0.084 0.000 2.387 456 R HA 0.395 4.734 4.340 -0.001 0.000 0.314 456 R C -1.162 175.016 176.300 -0.203 0.000 0.958 456 R CA -0.591 55.397 56.100 -0.186 0.000 0.846 456 R CB 0.767 30.907 30.300 -0.266 0.000 1.147 456 R HN 0.651 nan 8.270 nan 0.000 0.447 457 D N 2.733 122.977 120.400 -0.260 0.000 2.458 457 D HA 0.034 4.673 4.640 -0.001 0.000 0.243 457 D C 0.359 176.555 176.300 -0.173 0.000 1.146 457 D CA 0.597 54.492 54.000 -0.174 0.000 0.877 457 D CB 1.154 41.855 40.800 -0.166 0.000 1.176 457 D HN 0.729 nan 8.370 nan 0.000 0.461 458 G N 2.166 110.900 108.800 -0.109 0.000 2.843 458 G HA2 0.252 4.211 3.960 -0.001 0.000 0.275 458 G HA3 0.252 4.211 3.960 -0.001 0.000 0.275 458 G C 0.987 175.834 174.900 -0.089 0.000 0.709 458 G CA -0.521 44.526 45.100 -0.089 0.000 2.089 458 G HN 0.466 nan 8.290 nan 0.000 0.571 459 G N 1.231 109.959 108.800 -0.120 0.000 3.284 459 G HA2 0.113 4.073 3.960 -0.001 0.000 0.251 459 G HA3 0.113 4.073 3.960 -0.001 0.000 0.251 459 G C 1.336 176.193 174.900 -0.071 0.000 0.913 459 G CA -0.319 44.719 45.100 -0.103 0.000 1.947 459 G HN 0.554 nan 8.290 nan 0.000 0.635 460 K N 1.808 122.176 120.400 -0.052 0.000 2.189 460 K HA -0.192 4.127 4.320 -0.001 0.000 0.207 460 K C 1.215 177.797 176.600 -0.031 0.000 1.046 460 K CA 1.317 57.583 56.287 -0.034 0.000 0.928 460 K CB -0.161 32.323 32.500 -0.027 0.000 0.720 460 K HN 0.571 nan 8.250 nan 0.000 0.458 461 D N 0.524 120.903 120.400 -0.036 0.000 2.414 461 D HA -0.049 4.591 4.640 -0.001 0.000 0.242 461 D C -0.341 175.940 176.300 -0.032 0.000 1.129 461 D CA 0.271 54.252 54.000 -0.031 0.000 0.885 461 D CB 0.428 41.209 40.800 -0.032 0.000 1.198 461 D HN 0.294 nan 8.370 nan 0.000 0.437 462 T N -0.377 114.163 114.554 -0.024 0.000 2.817 462 T HA 0.196 4.545 4.350 -0.001 0.000 0.295 462 T C 0.385 175.070 174.700 -0.026 0.000 0.958 462 T CA -0.471 61.617 62.100 -0.021 0.000 1.157 462 T CB 0.041 68.901 68.868 -0.014 0.000 0.898 462 T HN 0.655 nan 8.240 nan 0.000 0.536 463 N N 1.013 119.696 118.700 -0.029 0.000 1.839 463 N HA 0.191 4.930 4.740 -0.001 0.000 0.232 463 N C 1.215 176.706 175.510 -0.032 0.000 1.425 463 N CA -0.006 53.024 53.050 -0.033 0.000 0.743 463 N CB -0.402 38.058 38.487 -0.045 0.000 1.044 463 N HN 1.075 nan 8.380 nan 0.000 0.519 464 G N -0.073 108.712 108.800 -0.026 0.000 2.283 464 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.280 464 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.280 464 G C -0.099 174.784 174.900 -0.028 0.000 1.029 464 G CA 1.087 46.177 45.100 -0.018 0.000 0.840 464 G HN 0.880 nan 8.290 nan 0.000 0.505 465 T N -1.171 113.351 114.554 -0.054 0.000 2.956 465 T HA 0.572 4.922 4.350 -0.001 0.000 0.312 465 T C -1.450 173.161 174.700 -0.147 0.000 1.151 465 T CA -0.606 61.448 62.100 -0.078 0.000 1.024 465 T CB 1.791 70.616 68.868 -0.072 0.000 1.140 465 T HN 0.112 nan 8.240 nan 0.000 0.473 466 E N 3.326 123.405 120.200 -0.202 0.000 2.238 466 E HA 0.530 4.879 4.350 -0.001 0.000 0.267 466 E C -0.606 175.660 176.600 -0.556 0.000 0.887 466 E CA -0.624 55.514 56.400 -0.437 0.000 0.769 466 E CB 2.272 31.638 29.700 -0.558 0.000 1.187 466 E HN 0.646 nan 8.360 nan 0.000 0.416 467 I N 2.385 122.539 120.570 -0.694 0.000 2.441 467 I HA 0.421 4.590 4.170 -0.001 0.000 0.295 467 I C -0.667 175.010 176.117 -0.734 0.000 0.994 467 I CA -0.750 60.243 61.300 -0.512 0.000 1.144 467 I CB 0.881 38.732 38.000 -0.248 0.000 1.314 467 I HN 0.291 nan 8.210 nan 0.000 0.445 468 F N 4.714 124.660 119.950 -0.006 0.000 2.518 468 F HA 0.602 5.128 4.527 -0.001 0.000 0.323 468 F C 0.144 176.084 175.800 0.234 0.000 1.129 468 F CA -0.671 57.394 58.000 0.109 0.000 0.920 468 F CB 1.679 40.792 39.000 0.187 0.000 1.160 468 F HN 0.293 nan 8.300 nan 0.000 0.440 469 R N 1.887 122.562 120.500 0.293 0.000 2.919 469 R HA 0.569 4.908 4.340 -0.001 0.000 0.260 469 R C -2.922 173.358 176.300 -0.034 0.000 1.067 469 R CA -2.361 53.824 56.100 0.141 0.000 1.003 469 R CB 1.290 31.619 30.300 0.048 0.000 1.192 469 R HN 0.224 nan 8.270 nan 0.000 0.488 470 P HA 0.074 nan 4.420 nan 0.000 0.268 470 P C -0.550 176.627 177.300 -0.205 0.000 1.204 470 P CA 0.213 62.986 63.100 -0.544 0.000 0.768 470 P CB 0.883 32.047 31.700 -0.893 0.000 0.842 471 G N 0.924 109.652 108.800 -0.120 0.000 3.262 471 G HA2 0.786 4.745 3.960 -0.001 0.000 0.229 471 G HA3 0.786 4.745 3.960 -0.001 0.000 0.229 471 G C -0.352 174.520 174.900 -0.046 0.000 1.280 471 G CA -0.634 44.433 45.100 -0.055 0.000 0.951 471 G HN 0.785 nan 8.290 nan 0.000 0.589 472 G N -3.327 105.452 108.800 -0.035 0.000 2.479 472 G HA2 0.510 4.469 3.960 -0.001 0.000 0.686 472 G HA3 0.510 4.469 3.960 -0.001 0.000 0.686 472 G C 0.531 175.410 174.900 -0.035 0.000 1.295 472 G CA 0.759 45.832 45.100 -0.044 0.000 0.922 472 G HN 2.468 nan 8.290 nan 0.000 0.582 473 G N -0.802 107.969 108.800 -0.048 0.000 3.638 473 G HA2 0.053 4.012 3.960 -0.001 0.000 0.196 473 G HA3 0.053 4.012 3.960 -0.001 0.000 0.196 473 G C 0.016 174.906 174.900 -0.016 0.000 1.315 473 G CA 0.997 46.090 45.100 -0.012 0.000 0.944 473 G HN 1.461 nan 8.290 nan 0.000 0.434 474 D N 2.081 122.449 120.400 -0.053 0.000 2.365 474 D HA 0.415 5.054 4.640 -0.001 0.000 0.237 474 D C 1.880 178.051 176.300 -0.215 0.000 1.190 474 D CA -0.501 53.455 54.000 -0.073 0.000 0.867 474 D CB 0.693 41.446 40.800 -0.077 0.000 1.050 474 D HN 0.055 nan 8.370 nan 0.000 0.491 475 M N 3.224 122.679 119.600 -0.241 0.000 2.539 475 M HA -0.083 4.396 4.480 -0.001 0.000 0.261 475 M C 1.675 177.295 176.300 -1.134 0.000 1.069 475 M CA 0.800 55.696 55.300 -0.674 0.000 1.081 475 M CB -0.578 31.630 32.600 -0.653 0.000 1.412 475 M HN 0.386 nan 8.290 nan 0.000 0.482 476 R N 0.202 120.300 120.500 -0.670 0.000 2.120 476 R HA -0.136 4.203 4.340 -0.001 0.000 0.234 476 R C 1.497 177.575 176.300 -0.370 0.000 1.123 476 R CA 1.098 56.879 56.100 -0.531 0.000 0.975 476 R CB -0.269 29.845 30.300 -0.311 0.000 0.866 476 R HN 0.395 nan 8.270 nan 0.000 0.446 477 D N 0.211 120.432 120.400 -0.299 0.000 2.219 477 D HA -0.094 4.545 4.640 -0.001 0.000 0.205 477 D C 1.254 177.429 176.300 -0.209 0.000 0.970 477 D CA 0.880 54.790 54.000 -0.151 0.000 0.851 477 D CB -0.215 40.547 40.800 -0.063 0.000 0.943 477 D HN 0.357 nan 8.370 nan 0.000 0.488 478 N N -0.266 118.155 118.700 -0.466 0.000 2.270 478 N HA -0.103 4.637 4.740 -0.001 0.000 0.181 478 N C 1.783 177.281 175.510 -0.020 0.000 1.016 478 N CA 0.579 53.387 53.050 -0.403 0.000 0.870 478 N CB -0.049 37.939 38.487 -0.832 0.000 0.979 478 N HN 0.393 nan 8.380 nan 0.000 0.431 479 W N 1.581 122.889 121.300 0.014 0.000 2.443 479 W HA 0.061 4.720 4.660 -0.001 0.000 0.296 479 W C 2.408 178.955 176.519 0.047 0.000 1.202 479 W CA -0.418 56.951 57.345 0.040 0.000 1.312 479 W CB -0.080 29.404 29.460 0.040 0.000 1.120 479 W HN -0.050 nan 8.180 nan 0.000 0.536 480 R N 0.934 121.549 120.500 0.192 0.000 2.096 480 R HA -0.151 4.189 4.340 -0.001 0.000 0.235 480 R C 2.338 178.706 176.300 0.113 0.000 1.127 480 R CA 1.853 57.993 56.100 0.067 0.000 0.968 480 R CB -0.932 29.283 30.300 -0.140 0.000 0.861 480 R HN 0.138 nan 8.270 nan 0.000 0.440 481 S N 0.533 116.290 115.700 0.095 0.000 2.493 481 S HA -0.099 4.370 4.470 -0.001 0.000 0.243 481 S C 1.450 176.234 174.600 0.307 0.000 0.991 481 S CA 0.997 59.268 58.200 0.117 0.000 0.957 481 S CB 0.051 63.285 63.200 0.057 0.000 0.756 481 S HN 0.245 nan 8.310 nan 0.000 0.521 482 E N 0.411 120.820 120.200 0.348 0.000 2.434 482 E HA 0.320 4.669 4.350 -0.001 0.000 0.207 482 E C 1.294 178.162 176.600 0.447 0.000 0.929 482 E CA 0.232 56.883 56.400 0.418 0.000 1.001 482 E CB 0.229 30.159 29.700 0.384 0.000 1.016 482 E HN 0.535 nan 8.360 nan 0.000 0.502 483 L N 1.062 122.502 121.223 0.362 0.000 2.728 483 L HA 0.126 4.465 4.340 -0.001 0.000 0.238 483 L C 1.801 178.812 176.870 0.236 0.000 1.143 483 L CA -0.142 54.914 54.840 0.359 0.000 0.937 483 L CB -0.250 41.953 42.059 0.240 0.000 1.225 483 L HN 0.116 nan 8.230 nan 0.000 0.507 484 Y N 1.000 121.359 120.300 0.098 0.000 2.403 484 Y HA -0.179 4.370 4.550 -0.001 0.000 0.291 484 Y C 2.078 178.035 175.900 0.095 0.000 1.143 484 Y CA 1.039 59.139 58.100 0.001 0.000 1.257 484 Y CB -0.580 37.802 38.460 -0.129 0.000 0.984 484 Y HN 0.207 nan 8.280 nan 0.000 0.550 485 K N -0.898 119.060 120.400 -0.737 0.000 2.404 485 K HA 0.141 4.460 4.320 -0.001 0.000 0.194 485 K C -0.999 175.327 176.600 -0.456 0.000 1.023 485 K CA -0.184 55.696 56.287 -0.677 0.000 1.094 485 K CB -0.227 31.644 32.500 -1.048 0.000 0.841 485 K HN 0.319 nan 8.250 nan 0.000 0.523 486 Y N 1.552 121.903 120.300 0.085 0.000 2.457 486 Y HA 0.402 4.951 4.550 -0.001 0.000 0.333 486 Y C -0.351 175.677 175.900 0.214 0.000 1.119 486 Y CA -1.056 57.145 58.100 0.168 0.000 1.143 486 Y CB 1.888 40.394 38.460 0.076 0.000 1.230 486 Y HN -0.153 nan 8.280 nan 0.000 0.469 487 K N 1.760 122.336 120.400 0.293 0.000 2.651 487 K HA 0.431 4.751 4.320 -0.001 0.000 0.259 487 K C -2.131 174.478 176.600 0.014 0.000 1.017 487 K CA -0.570 55.745 56.287 0.046 0.000 0.897 487 K CB 1.791 34.096 32.500 -0.325 0.000 1.262 487 K HN 0.597 nan 8.250 nan 0.000 0.460 488 V N 4.999 124.919 119.914 0.010 0.000 2.614 488 V HA 0.544 4.663 4.120 -0.001 0.000 0.291 488 V C -0.784 175.329 176.094 0.031 0.000 1.049 488 V CA 0.079 62.387 62.300 0.014 0.000 1.038 488 V CB 1.287 33.085 31.823 -0.042 0.000 0.980 488 V HN 0.572 nan 8.190 nan 0.000 0.481 489 V N 6.166 126.140 119.914 0.100 0.000 3.181 489 V HA 0.558 4.677 4.120 -0.001 0.000 0.308 489 V C -0.526 175.723 176.094 0.258 0.000 1.214 489 V CA -1.098 61.282 62.300 0.134 0.000 1.053 489 V CB 2.410 34.245 31.823 0.021 0.000 1.069 489 V HN 1.051 nan 8.190 nan 0.000 0.441 490 K N 2.852 123.347 120.400 0.159 0.000 2.205 490 K HA 0.523 4.842 4.320 -0.001 0.000 0.279 490 K C -0.573 175.939 176.600 -0.147 0.000 1.027 490 K CA -0.512 55.694 56.287 -0.134 0.000 0.932 490 K CB 0.871 33.249 32.500 -0.203 0.000 1.032 490 K HN 0.642 nan 8.250 nan 0.000 0.466 491 I N 5.228 125.664 120.570 -0.224 0.000 2.505 491 I HA 0.000 4.169 4.170 -0.001 0.000 0.287 491 I C 0.559 176.598 176.117 -0.129 0.000 1.104 491 I CA 0.273 61.493 61.300 -0.133 0.000 1.387 491 I CB 0.151 38.077 38.000 -0.123 0.000 1.404 491 I HN 0.714 nan 8.210 nan 0.000 0.528 492 E N 0.000 120.151 120.200 -0.082 0.000 2.725 492 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 492 E CA 0.000 56.360 56.400 -0.067 0.000 0.976 492 E CB 0.000 29.666 29.700 -0.057 0.000 0.812 492 E HN 0.000 nan 8.360 nan 0.000 0.440