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 1dos_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKIFDFVKPG VITGDDVQKV FQVAKENNFA LPAVNCVGTD SINAVLETAA DATA SEQUENCE KVKAPVIVQF SNGGASFIAG KGVKSDVPQG AAILGAISGA HHVHQMAEHY DATA SEQUENCE GVPVILHTDH CAKKLLPWID GLLDAGEKHF AATGKPLFSS HMIDLSEESL DATA SEQUENCE QENIEICSKY LERMSKIGMT LEIELGCTGG EEDGVDNSHM DASALYTQPE DATA SEQUENCE DVDYAYTELS KISPRFTIAA SFGNVHGVYK AGNVVLTPTI LRDSQEYVSK DATA SEQUENCE KHNLPHNSLN FVFHGGSGST AQEIKDSVSY GVVKMNIDTD TQWATWEGVL DATA SEQUENCE NYYKANEAYL QGQLGNPKGE DQPNKKYYDP RVWLRAGQTS MIARLEKAFQ DATA SEQUENCE ELNAIDVL 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.705 174.600 0.176 0.000 1.055 1 S CA 0.000 58.274 58.200 0.123 0.000 1.107 1 S CB 0.000 63.315 63.200 0.192 0.000 0.593 2 K N 0.606 121.095 120.400 0.149 0.000 2.331 2 K HA 0.587 nan 4.320 nan 0.000 0.238 2 K C 1.094 177.820 176.600 0.209 0.000 1.058 2 K CA -2.355 54.027 56.287 0.158 0.000 0.871 2 K CB 2.357 34.898 32.500 0.068 0.000 1.292 2 K HN 0.532 9.194 8.250 0.090 -0.359 0.470 3 I N 1.735 122.387 120.570 0.137 0.000 2.151 3 I HA -0.385 nan 4.170 nan 0.000 0.243 3 I C 1.413 177.670 176.117 0.233 0.000 1.080 3 I CA 3.679 65.061 61.300 0.135 0.000 1.339 3 I CB -0.325 37.639 38.000 -0.060 0.000 1.039 3 I HN 0.410 8.657 8.210 0.062 0.000 0.409 4 F N -3.428 116.573 119.950 0.086 0.000 2.771 4 F HA -0.176 nan 4.527 nan 0.000 0.299 4 F C 0.921 176.713 175.800 -0.015 0.000 1.177 4 F CA 0.329 58.351 58.000 0.036 0.000 1.450 4 F CB -1.074 37.931 39.000 0.008 0.000 1.114 4 F HN -0.207 7.996 8.300 0.018 0.107 0.587 5 D N -0.969 119.500 120.400 0.116 0.000 2.347 5 D HA -0.104 nan 4.640 nan 0.000 0.213 5 D C 0.478 176.543 176.300 -0.391 0.000 0.985 5 D CA 2.454 56.341 54.000 -0.188 0.000 0.879 5 D CB 0.405 40.996 40.800 -0.348 0.000 0.919 5 D HN -0.422 7.859 8.370 0.161 0.186 0.526 6 F N -3.661 116.349 119.950 0.099 0.000 2.640 6 F HA 0.171 nan 4.527 nan 0.000 0.285 6 F C -0.455 175.387 175.800 0.069 0.000 1.031 6 F CA 0.861 58.901 58.000 0.067 0.000 1.240 6 F CB 2.637 41.665 39.000 0.048 0.000 1.011 6 F HN -0.555 7.757 8.300 0.286 0.159 0.656 7 V N -6.818 113.283 119.914 0.312 0.000 3.126 7 V HA 0.306 nan 4.120 nan 0.000 0.314 7 V C -1.838 174.391 176.094 0.225 0.000 1.138 7 V CA -3.393 59.038 62.300 0.219 0.000 1.034 7 V CB 2.335 34.268 31.823 0.183 0.000 1.075 7 V HN -0.390 8.024 8.190 0.372 0.000 0.442 8 K N -0.040 120.419 120.400 0.099 0.000 2.258 8 K HA 0.528 nan 4.320 nan 0.000 0.236 8 K C -2.269 174.353 176.600 0.037 0.000 1.008 8 K CA -2.723 53.524 56.287 -0.066 0.000 0.869 8 K CB 0.478 32.915 32.500 -0.104 0.000 1.171 8 K HN 0.130 8.431 8.250 0.085 0.000 0.447 9 P HA -0.143 nan 4.420 nan 0.000 0.269 9 P C -1.176 176.130 177.300 0.011 0.000 1.215 9 P CA 0.088 63.225 63.100 0.062 0.000 0.780 9 P CB 0.093 31.776 31.700 -0.028 0.000 0.898 10 G N 0.350 109.164 108.800 0.023 0.000 2.331 10 G HA2 -0.232 nan 3.960 nan 0.000 0.479 10 G HA3 -0.232 nan 3.960 nan 0.000 0.479 10 G C -2.244 172.631 174.900 -0.042 0.000 1.262 10 G CA -0.541 44.547 45.100 -0.020 0.000 1.029 10 G HN 0.158 8.376 8.290 0.056 0.106 0.487 11 V N 1.454 121.310 119.914 -0.097 0.000 2.455 11 V HA 0.267 nan 4.120 nan 0.000 0.273 11 V C 0.046 176.100 176.094 -0.066 0.000 1.045 11 V CA -0.061 62.144 62.300 -0.158 0.000 0.976 11 V CB -0.174 31.406 31.823 -0.405 0.000 0.993 11 V HN 0.289 8.430 8.190 -0.082 0.000 0.475 12 I N 8.489 129.024 120.570 -0.058 0.000 2.396 12 I HA 0.259 nan 4.170 nan 0.000 0.289 12 I C -0.670 175.427 176.117 -0.033 0.000 1.056 12 I CA -0.572 60.705 61.300 -0.039 0.000 1.365 12 I CB -1.497 36.463 38.000 -0.067 0.000 1.407 12 I HN 0.784 8.839 8.210 -0.076 0.109 0.509 13 T N 0.851 115.406 114.554 0.002 0.000 2.838 13 T HA 0.650 nan 4.350 nan 0.000 0.292 13 T C 0.112 174.829 174.700 0.029 0.000 1.113 13 T CA -2.257 59.861 62.100 0.030 0.000 1.008 13 T CB 3.800 72.724 68.868 0.094 0.000 1.259 13 T HN 0.055 8.302 8.240 0.012 0.000 0.520 14 G N 1.738 110.566 108.800 0.046 0.000 2.564 14 G HA2 -0.457 nan 3.960 nan 0.000 0.273 14 G HA3 -0.457 nan 3.960 nan 0.000 0.273 14 G C 0.122 175.022 174.900 0.001 0.000 1.242 14 G CA 1.088 46.213 45.100 0.042 0.000 0.951 14 G HN -0.197 8.128 8.290 0.058 0.000 0.564 15 D N 4.443 124.843 120.400 0.001 0.000 2.310 15 D HA -0.136 nan 4.640 nan 0.000 0.212 15 D C 1.161 177.425 176.300 -0.060 0.000 0.965 15 D CA 2.294 56.277 54.000 -0.027 0.000 0.879 15 D CB -0.555 40.237 40.800 -0.013 0.000 0.921 15 D HN 0.257 8.639 8.370 0.020 0.000 0.510 16 D N 0.109 120.481 120.400 -0.047 0.000 2.178 16 D HA -0.198 nan 4.640 nan 0.000 0.201 16 D C 2.215 178.420 176.300 -0.158 0.000 0.980 16 D CA 2.940 56.900 54.000 -0.067 0.000 0.842 16 D CB -0.179 40.608 40.800 -0.022 0.000 0.948 16 D HN -0.592 7.719 8.370 -0.020 0.048 0.472 17 V N -0.372 119.428 119.914 -0.190 0.000 2.287 17 V HA -0.479 nan 4.120 nan 0.000 0.248 17 V C 1.992 177.779 176.094 -0.511 0.000 1.053 17 V CA 4.699 66.775 62.300 -0.374 0.000 1.027 17 V CB -0.560 31.106 31.823 -0.262 0.000 0.646 17 V HN -0.701 7.395 8.190 -0.123 0.020 0.447 18 Q N -1.633 118.018 119.800 -0.248 0.000 2.167 18 Q HA -0.317 nan 4.340 nan 0.000 0.202 18 Q C 2.314 178.207 176.000 -0.178 0.000 0.970 18 Q CA 3.376 59.094 55.803 -0.140 0.000 0.855 18 Q CB -0.995 27.695 28.738 -0.080 0.000 0.911 18 Q HN 0.146 8.314 8.270 -0.169 0.000 0.438 19 K N 0.763 121.030 120.400 -0.222 0.000 2.097 19 K HA -0.285 nan 4.320 nan 0.000 0.205 19 K C 2.368 178.802 176.600 -0.275 0.000 1.050 19 K CA 3.624 59.735 56.287 -0.293 0.000 0.938 19 K CB -0.178 32.155 32.500 -0.277 0.000 0.718 19 K HN -0.413 7.611 8.250 -0.198 0.108 0.442 20 V N 0.514 120.274 119.914 -0.257 0.000 2.343 20 V HA -0.363 nan 4.120 nan 0.000 0.247 20 V C 2.144 178.160 176.094 -0.130 0.000 1.051 20 V CA 4.601 66.783 62.300 -0.198 0.000 1.036 20 V CB -0.768 30.886 31.823 -0.281 0.000 0.654 20 V HN -0.077 7.935 8.190 -0.296 0.000 0.451 21 F N -1.922 117.943 119.950 -0.142 0.000 2.186 21 F HA -0.343 nan 4.527 nan 0.000 0.299 21 F C 2.182 177.846 175.800 -0.227 0.000 1.090 21 F CA 1.828 59.718 58.000 -0.182 0.000 1.307 21 F CB -1.392 37.509 39.000 -0.165 0.000 1.019 21 F HN -0.392 7.651 8.300 -0.429 0.000 0.489 22 Q N -0.236 119.533 119.800 -0.052 0.000 2.050 22 Q HA -0.349 nan 4.340 nan 0.000 0.202 22 Q C 2.621 178.527 176.000 -0.157 0.000 0.980 22 Q CA 3.664 59.388 55.803 -0.133 0.000 0.840 22 Q CB -0.103 28.511 28.738 -0.207 0.000 0.898 22 Q HN -0.077 8.068 8.270 -0.075 0.081 0.424 23 V N -0.400 119.413 119.914 -0.169 0.000 2.407 23 V HA -0.402 nan 4.120 nan 0.000 0.248 23 V C 1.736 177.677 176.094 -0.255 0.000 1.055 23 V CA 4.036 66.282 62.300 -0.090 0.000 1.049 23 V CB -1.117 30.738 31.823 0.054 0.000 0.662 23 V HN -0.087 7.986 8.190 -0.194 0.000 0.455 24 A N -0.953 121.568 122.820 -0.498 0.000 1.877 24 A HA -0.362 nan 4.320 nan 0.000 0.216 24 A C 2.024 179.181 177.584 -0.710 0.000 1.186 24 A CA 3.588 54.877 52.037 -1.245 0.000 0.620 24 A CB -0.764 17.768 19.000 -0.780 0.000 0.822 24 A HN 0.066 7.960 8.150 -0.288 0.083 0.443 25 K N -2.177 118.017 120.400 -0.342 0.000 2.097 25 K HA -0.286 nan 4.320 nan 0.000 0.205 25 K C 2.942 179.467 176.600 -0.125 0.000 1.050 25 K CA 3.372 59.541 56.287 -0.198 0.000 0.938 25 K CB -0.116 32.300 32.500 -0.140 0.000 0.718 25 K HN -0.230 7.856 8.250 -0.273 0.000 0.442 26 E N 0.392 120.528 120.200 -0.107 0.000 2.106 26 E HA -0.230 nan 4.350 nan 0.000 0.192 26 E C 1.322 177.930 176.600 0.012 0.000 0.984 26 E CA 2.570 58.955 56.400 -0.025 0.000 0.806 26 E CB -0.068 29.637 29.700 0.007 0.000 0.750 26 E HN -0.168 8.030 8.360 -0.142 0.076 0.458 27 N N -3.469 115.235 118.700 0.007 0.000 2.270 27 N HA 0.122 nan 4.740 nan 0.000 0.198 27 N C -1.440 174.174 175.510 0.173 0.000 1.117 27 N CA 0.226 53.367 53.050 0.153 0.000 0.845 27 N CB 0.585 39.310 38.487 0.397 0.000 0.980 27 N HN -0.485 7.833 8.380 -0.104 0.000 0.486 28 N N -3.562 115.156 118.700 0.030 0.000 2.738 28 N HA -0.312 nan 4.740 nan 0.000 0.249 28 N C -1.539 174.059 175.510 0.146 0.000 1.047 28 N CA 1.444 54.523 53.050 0.048 0.000 0.707 28 N CB -1.301 37.226 38.487 0.068 0.000 0.937 28 N HN -0.541 7.627 8.380 -0.047 0.184 0.545 29 F N -7.246 112.721 119.950 0.028 0.000 2.643 29 F HA 0.609 nan 4.527 nan 0.000 0.314 29 F C -2.450 173.371 175.800 0.034 0.000 1.096 29 F CA -2.809 55.211 58.000 0.033 0.000 0.953 29 F CB 2.801 41.828 39.000 0.047 0.000 1.345 29 F HN -0.101 8.024 8.300 -0.292 0.000 0.468 30 A N -0.023 122.985 122.820 0.313 0.000 2.423 30 A HA 0.511 nan 4.320 nan 0.000 0.304 30 A C -2.126 175.611 177.584 0.255 0.000 1.104 30 A CA -1.324 50.818 52.037 0.175 0.000 0.757 30 A CB 3.102 22.151 19.000 0.081 0.000 1.313 30 A HN 0.053 8.419 8.150 0.360 0.000 0.423 31 L N -0.002 121.333 121.223 0.186 0.000 2.307 31 L HA 0.480 nan 4.340 nan 0.000 0.282 31 L C -2.101 174.738 176.870 -0.052 0.000 1.051 31 L CA -3.333 51.578 54.840 0.118 0.000 0.804 31 L CB 0.474 42.650 42.059 0.195 0.000 1.197 31 L HN 0.370 8.582 8.230 0.153 0.110 0.431 32 P HA 0.301 nan 4.420 nan 0.000 0.280 32 P C -2.282 174.919 177.300 -0.166 0.000 1.244 32 P CA -0.172 62.739 63.100 -0.316 0.000 0.784 32 P CB 0.469 31.746 31.700 -0.704 0.000 0.913 33 A N 3.852 126.607 122.820 -0.110 0.000 2.323 33 A HA 0.721 nan 4.320 nan 0.000 0.305 33 A C -2.015 175.538 177.584 -0.052 0.000 1.275 33 A CA -1.039 50.964 52.037 -0.057 0.000 0.804 33 A CB 1.741 20.719 19.000 -0.037 0.000 1.152 33 A HN 0.665 8.744 8.150 -0.119 0.000 0.487 34 V N 3.414 123.305 119.914 -0.040 0.000 2.398 34 V HA 0.369 nan 4.120 nan 0.000 0.286 34 V C -0.534 175.557 176.094 -0.004 0.000 1.026 34 V CA -1.592 60.696 62.300 -0.020 0.000 0.868 34 V CB 1.343 33.162 31.823 -0.007 0.000 0.982 34 V HN 0.347 8.514 8.190 -0.038 0.000 0.443 35 N N 6.924 125.640 118.700 0.027 0.000 2.470 35 N HA 0.295 nan 4.740 nan 0.000 0.268 35 N C -0.817 174.755 175.510 0.104 0.000 1.136 35 N CA -0.038 53.054 53.050 0.071 0.000 0.961 35 N CB 0.470 39.013 38.487 0.093 0.000 1.067 35 N HN -0.304 8.089 8.380 0.022 0.000 0.468 36 C N 2.662 122.068 119.300 0.178 0.000 2.529 36 C HA 0.559 nan 4.460 nan 0.000 0.329 36 C C -0.198 175.020 174.990 0.381 0.000 1.194 36 C CA -1.368 57.806 59.018 0.260 0.000 1.779 36 C CB 2.689 30.593 27.740 0.274 0.000 2.322 36 C HN 0.313 8.650 8.230 0.179 0.000 0.500 37 V N -3.561 116.511 119.914 0.264 0.000 3.166 37 V HA 0.588 nan 4.120 nan 0.000 0.332 37 V C -0.664 175.595 176.094 0.275 0.000 1.434 37 V CA -1.546 60.905 62.300 0.252 0.000 1.121 37 V CB 0.403 32.290 31.823 0.107 0.000 1.062 37 V HN 0.636 8.951 8.190 0.208 0.000 0.489 38 G N 0.313 109.240 108.800 0.212 0.000 2.320 38 G HA2 -0.121 nan 3.960 nan 0.000 0.297 38 G HA3 -0.121 nan 3.960 nan 0.000 0.297 38 G C -1.591 173.345 174.900 0.061 0.000 1.344 38 G CA 0.637 45.812 45.100 0.124 0.000 0.851 38 G HN -0.716 7.722 8.290 0.247 0.000 0.567 39 T N -3.226 111.288 114.554 -0.066 0.000 2.759 39 T HA -0.291 nan 4.350 nan 0.000 0.269 39 T C 1.124 175.805 174.700 -0.031 0.000 1.042 39 T CA 3.633 65.607 62.100 -0.210 0.000 1.140 39 T CB -0.315 68.331 68.868 -0.369 0.000 0.864 39 T HN 0.196 8.392 8.240 -0.072 0.000 0.455 40 D N 1.268 121.671 120.400 0.005 0.000 2.097 40 D HA -0.173 nan 4.640 nan 0.000 0.195 40 D C 2.312 178.646 176.300 0.057 0.000 0.989 40 D CA 3.736 57.755 54.000 0.030 0.000 0.827 40 D CB -0.624 40.184 40.800 0.012 0.000 0.966 40 D HN 0.542 8.912 8.370 0.000 0.000 0.456 41 S N 0.319 116.065 115.700 0.077 0.000 2.383 41 S HA -0.216 nan 4.470 nan 0.000 0.227 41 S C 1.860 176.512 174.600 0.087 0.000 1.026 41 S CA 3.065 61.315 58.200 0.084 0.000 0.981 41 S CB -0.518 62.743 63.200 0.102 0.000 0.818 41 S HN -0.682 7.680 8.310 0.086 0.000 0.472 42 I N 2.625 123.269 120.570 0.124 0.000 2.179 42 I HA -0.599 nan 4.170 nan 0.000 0.242 42 I C 1.690 177.837 176.117 0.049 0.000 1.088 42 I CA 4.203 65.583 61.300 0.133 0.000 1.357 42 I CB -0.478 37.685 38.000 0.270 0.000 1.051 42 I HN -0.358 7.935 8.210 0.138 0.000 0.409 43 N N -0.388 118.361 118.700 0.083 0.000 2.120 43 N HA -0.332 nan 4.740 nan 0.000 0.188 43 N C 2.180 177.659 175.510 -0.052 0.000 1.024 43 N CA 3.189 56.247 53.050 0.013 0.000 0.852 43 N CB -0.821 37.767 38.487 0.167 0.000 1.003 43 N HN -0.023 8.435 8.380 0.130 0.000 0.424 44 A N 0.078 122.905 122.820 0.012 0.000 1.933 44 A HA -0.185 nan 4.320 nan 0.000 0.218 44 A C 2.140 179.726 177.584 0.002 0.000 1.175 44 A CA 3.089 55.138 52.037 0.020 0.000 0.628 44 A CB -0.635 18.386 19.000 0.035 0.000 0.814 44 A HN -0.224 7.949 8.150 0.038 0.000 0.444 45 V N 0.048 119.957 119.914 -0.007 0.000 2.307 45 V HA -0.423 nan 4.120 nan 0.000 0.245 45 V C 1.894 177.959 176.094 -0.047 0.000 1.045 45 V CA 4.599 66.908 62.300 0.015 0.000 1.024 45 V CB -0.763 31.072 31.823 0.020 0.000 0.651 45 V HN -0.340 7.740 8.190 -0.003 0.109 0.449 46 L N -2.027 119.071 121.223 -0.209 0.000 2.046 46 L HA -0.485 nan 4.340 nan 0.000 0.208 46 L C 2.059 178.756 176.870 -0.289 0.000 1.077 46 L CA 3.546 58.151 54.840 -0.392 0.000 0.747 46 L CB -0.651 40.840 42.059 -0.947 0.000 0.896 46 L HN -0.084 8.013 8.230 -0.221 0.000 0.432 47 E N -0.992 119.085 120.200 -0.204 0.000 2.110 47 E HA -0.389 nan 4.350 nan 0.000 0.193 47 E C 2.281 178.891 176.600 0.016 0.000 0.988 47 E CA 3.546 59.999 56.400 0.089 0.000 0.804 47 E CB -0.034 29.756 29.700 0.151 0.000 0.745 47 E HN 0.165 8.366 8.360 -0.266 0.000 0.458 48 T N 1.611 116.147 114.554 -0.030 0.000 2.777 48 T HA -0.226 nan 4.350 nan 0.000 0.266 48 T C 1.684 176.207 174.700 -0.295 0.000 1.040 48 T CA 4.367 66.413 62.100 -0.090 0.000 1.141 48 T CB -0.591 68.298 68.868 0.035 0.000 0.868 48 T HN -0.532 7.595 8.240 -0.020 0.101 0.444 49 A N 0.652 123.321 122.820 -0.251 0.000 1.908 49 A HA -0.297 nan 4.320 nan 0.000 0.218 49 A C 1.542 178.978 177.584 -0.247 0.000 1.181 49 A CA 2.999 54.823 52.037 -0.355 0.000 0.627 49 A CB -0.790 18.164 19.000 -0.078 0.000 0.818 49 A HN -0.220 7.870 8.150 -0.100 0.000 0.445 50 A N -2.121 120.645 122.820 -0.090 0.000 1.933 50 A HA -0.236 nan 4.320 nan 0.000 0.218 50 A C 1.652 179.197 177.584 -0.063 0.000 1.175 50 A CA 2.538 54.567 52.037 -0.014 0.000 0.628 50 A CB -0.329 18.748 19.000 0.129 0.000 0.814 50 A HN -0.133 7.989 8.150 -0.046 0.000 0.444 51 K N -2.284 118.059 120.400 -0.095 0.000 2.228 51 K HA -0.140 nan 4.320 nan 0.000 0.202 51 K C 1.466 177.976 176.600 -0.151 0.000 1.051 51 K CA 1.443 57.673 56.287 -0.095 0.000 0.960 51 K CB 0.480 32.941 32.500 -0.066 0.000 0.743 51 K HN -0.333 7.769 8.250 -0.100 0.088 0.458 52 V N -8.366 111.388 119.914 -0.267 0.000 3.506 52 V HA 0.214 nan 4.120 nan 0.000 0.263 52 V C -0.837 175.093 176.094 -0.273 0.000 1.203 52 V CA -0.513 61.608 62.300 -0.298 0.000 1.133 52 V CB 0.029 31.562 31.823 -0.483 0.000 0.802 52 V HN -0.292 7.692 8.190 -0.343 0.000 0.459 53 K N -1.891 118.354 120.400 -0.258 0.000 4.854 53 K HA -0.497 nan 4.320 nan 0.000 0.338 53 K C -2.283 174.149 176.600 -0.280 0.000 1.013 53 K CA 0.464 56.620 56.287 -0.219 0.000 1.072 53 K CB -2.954 29.450 32.500 -0.159 0.000 1.642 53 K HN 0.057 8.015 8.250 -0.257 0.138 0.426 54 A N 0.325 122.972 122.820 -0.289 0.000 2.608 54 A HA 0.433 nan 4.320 nan 0.000 0.292 54 A C -3.408 174.122 177.584 -0.089 0.000 1.066 54 A CA -1.739 50.161 52.037 -0.229 0.000 0.676 54 A CB 2.419 21.314 19.000 -0.174 0.000 1.277 54 A HN -0.380 7.605 8.150 -0.274 0.000 0.413 55 P HA 0.312 nan 4.420 nan 0.000 0.276 55 P C -2.158 175.254 177.300 0.185 0.000 1.252 55 P CA -0.981 62.158 63.100 0.064 0.000 0.802 55 P CB 0.931 32.677 31.700 0.076 0.000 1.035 56 V N -0.990 119.007 119.914 0.138 0.000 3.206 56 V HA 0.571 nan 4.120 nan 0.000 0.305 56 V C -1.901 174.230 176.094 0.061 0.000 1.257 56 V CA -2.153 60.238 62.300 0.151 0.000 1.057 56 V CB 4.365 36.324 31.823 0.227 0.000 1.075 56 V HN -0.157 8.082 8.190 0.081 0.000 0.443 57 I N 3.249 123.838 120.570 0.032 0.000 2.418 57 I HA 0.538 nan 4.170 nan 0.000 0.287 57 I C -1.644 174.460 176.117 -0.022 0.000 1.008 57 I CA -1.036 60.267 61.300 0.005 0.000 1.104 57 I CB 2.447 40.451 38.000 0.007 0.000 1.264 57 I HN -0.103 8.119 8.210 0.021 0.000 0.438 58 V N 7.688 127.568 119.914 -0.057 0.000 2.370 58 V HA 0.447 nan 4.120 nan 0.000 0.279 58 V C -1.537 174.417 176.094 -0.234 0.000 1.029 58 V CA -1.266 60.950 62.300 -0.139 0.000 0.870 58 V CB -0.087 31.643 31.823 -0.154 0.000 0.984 58 V HN 0.358 8.516 8.190 -0.053 0.000 0.451 59 Q N 4.611 124.248 119.800 -0.271 0.000 2.484 59 Q HA 0.915 nan 4.340 nan 0.000 0.285 59 Q C -1.853 173.918 176.000 -0.381 0.000 1.097 59 Q CA -2.729 52.923 55.803 -0.251 0.000 0.802 59 Q CB 4.200 33.009 28.738 0.118 0.000 1.444 59 Q HN 0.475 8.625 8.270 -0.200 0.000 0.429 60 F N -1.406 118.712 119.950 0.279 0.000 2.540 60 F HA 0.465 nan 4.527 nan 0.000 0.317 60 F C -0.612 175.371 175.800 0.304 0.000 1.104 60 F CA -1.728 56.436 58.000 0.273 0.000 0.913 60 F CB 3.011 42.209 39.000 0.331 0.000 1.170 60 F HN -0.069 8.295 8.300 0.106 0.000 0.450 61 S N 3.047 118.990 115.700 0.405 0.000 2.681 61 S HA 0.189 nan 4.470 nan 0.000 0.270 61 S C 0.879 175.540 174.600 0.101 0.000 1.209 61 S CA -1.598 56.776 58.200 0.290 0.000 0.988 61 S CB 1.903 65.203 63.200 0.167 0.000 1.006 61 S HN 0.254 8.784 8.310 0.366 0.000 0.558 62 N N 2.015 120.552 118.700 -0.272 0.000 2.166 62 N HA -0.255 nan 4.740 nan 0.000 0.186 62 N C 1.927 177.191 175.510 -0.409 0.000 1.019 62 N CA 3.540 56.068 53.050 -0.870 0.000 0.856 62 N CB -0.100 37.848 38.487 -0.898 0.000 0.993 62 N HN 0.759 9.060 8.380 -0.131 0.000 0.426 63 G N -1.671 107.019 108.800 -0.184 0.000 2.394 63 G HA2 -0.205 nan 3.960 nan 0.000 0.215 63 G HA3 -0.205 nan 3.960 nan 0.000 0.215 63 G C 1.274 176.180 174.900 0.009 0.000 1.165 63 G CA 1.101 46.151 45.100 -0.083 0.000 0.784 63 G HN 0.143 8.336 8.290 -0.143 0.010 0.535 64 G N 0.951 109.785 108.800 0.057 0.000 2.418 64 G HA2 -0.335 nan 3.960 nan 0.000 0.217 64 G HA3 -0.335 nan 3.960 nan 0.000 0.217 64 G C 0.625 175.609 174.900 0.141 0.000 1.158 64 G CA 1.412 46.600 45.100 0.148 0.000 0.771 64 G HN -0.289 8.031 8.290 0.051 0.000 0.545 65 A N 1.364 124.232 122.820 0.079 0.000 1.877 65 A HA -0.248 nan 4.320 nan 0.000 0.216 65 A C 2.142 179.704 177.584 -0.035 0.000 1.186 65 A CA 2.958 54.985 52.037 -0.017 0.000 0.620 65 A CB -0.534 18.514 19.000 0.079 0.000 0.822 65 A HN 0.082 8.288 8.150 0.093 0.000 0.443 66 S N -0.393 115.275 115.700 -0.054 0.000 2.383 66 S HA -0.328 nan 4.470 nan 0.000 0.229 66 S C 1.883 176.490 174.600 0.012 0.000 1.030 66 S CA 3.937 62.110 58.200 -0.045 0.000 1.002 66 S CB -0.136 63.023 63.200 -0.069 0.000 0.829 66 S HN -0.535 7.716 8.310 -0.099 0.000 0.467 67 F N 2.280 122.195 119.950 -0.058 0.000 2.171 67 F HA -0.293 nan 4.527 nan 0.000 0.300 67 F C 0.710 176.489 175.800 -0.035 0.000 1.090 67 F CA 3.151 61.131 58.000 -0.033 0.000 1.293 67 F CB 0.306 39.299 39.000 -0.011 0.000 1.013 67 F HN -0.510 7.816 8.300 0.206 0.097 0.486 68 I N -2.392 118.182 120.570 0.006 0.000 2.394 68 I HA -0.470 nan 4.170 nan 0.000 0.251 68 I C 1.156 177.196 176.117 -0.128 0.000 1.136 68 I CA 2.331 63.586 61.300 -0.076 0.000 1.425 68 I CB -0.067 37.873 38.000 -0.101 0.000 1.079 68 I HN -0.579 7.587 8.210 0.076 0.091 0.425 69 A N -2.332 120.421 122.820 -0.111 0.000 2.014 69 A HA -0.010 nan 4.320 nan 0.000 0.218 69 A C 0.063 177.568 177.584 -0.132 0.000 1.163 69 A CA 0.650 52.631 52.037 -0.093 0.000 0.652 69 A CB 0.698 19.662 19.000 -0.061 0.000 0.808 69 A HN -0.520 7.476 8.150 -0.089 0.100 0.449 70 G N -2.594 106.079 108.800 -0.211 0.000 3.069 70 G HA2 -0.238 nan 3.960 nan 0.000 0.686 70 G HA3 -0.238 nan 3.960 nan 0.000 0.686 70 G C 0.431 175.223 174.900 -0.180 0.000 1.161 70 G CA -0.552 44.392 45.100 -0.259 0.000 0.804 70 G HN -0.673 7.365 8.290 -0.222 0.119 0.608 71 K N 3.817 124.103 120.400 -0.190 0.000 2.360 71 K HA -0.192 nan 4.320 nan 0.000 0.201 71 K C 0.838 177.404 176.600 -0.057 0.000 1.046 71 K CA 1.592 57.831 56.287 -0.081 0.000 0.945 71 K CB -0.086 32.395 32.500 -0.031 0.000 0.750 71 K HN 0.521 8.598 8.250 -0.287 0.000 0.464 72 G N -2.824 105.934 108.800 -0.069 0.000 3.434 72 G HA2 0.121 nan 3.960 nan 0.000 0.258 72 G HA3 0.121 nan 3.960 nan 0.000 0.258 72 G C -0.359 174.517 174.900 -0.041 0.000 1.128 72 G CA -0.651 44.422 45.100 -0.045 0.000 0.792 72 G HN -0.247 7.936 8.290 -0.096 0.049 0.539 73 V N 0.756 120.641 119.914 -0.047 0.000 2.715 73 V HA 0.048 nan 4.120 nan 0.000 0.299 73 V C -0.100 175.980 176.094 -0.023 0.000 1.054 73 V CA -0.644 61.635 62.300 -0.036 0.000 1.077 73 V CB 1.390 33.190 31.823 -0.039 0.000 0.972 73 V HN -0.679 7.411 8.190 -0.058 0.064 0.484 74 K N 7.327 127.718 120.400 -0.015 0.000 2.294 74 K HA -0.000 nan 4.320 nan 0.000 0.288 74 K C -0.750 175.847 176.600 -0.006 0.000 1.072 74 K CA 0.466 56.748 56.287 -0.009 0.000 0.960 74 K CB -0.026 32.472 32.500 -0.005 0.000 1.043 74 K HN 0.299 8.541 8.250 -0.014 0.000 0.455 75 S N 8.060 123.755 115.700 -0.008 0.000 2.404 75 S HA 0.118 nan 4.470 nan 0.000 0.309 75 S C -0.727 173.872 174.600 -0.000 0.000 1.076 75 S CA 0.112 58.309 58.200 -0.005 0.000 1.095 75 S CB 0.585 63.778 63.200 -0.012 0.000 0.972 75 S HN 0.301 8.605 8.310 -0.010 0.000 0.484 76 D N 5.310 125.713 120.400 0.005 0.000 2.463 76 D HA 0.034 nan 4.640 nan 0.000 0.237 76 D C -0.335 175.972 176.300 0.011 0.000 1.013 76 D CA 1.115 55.119 54.000 0.007 0.000 0.910 76 D CB 0.571 41.377 40.800 0.009 0.000 1.080 76 D HN 0.675 9.050 8.370 0.007 0.000 0.498 77 V N -0.762 119.162 119.914 0.015 0.000 2.863 77 V HA 0.552 nan 4.120 nan 0.000 0.307 77 V C -2.449 173.658 176.094 0.021 0.000 1.061 77 V CA -3.838 58.474 62.300 0.021 0.000 1.024 77 V CB -0.553 31.287 31.823 0.028 0.000 1.049 77 V HN -0.603 7.596 8.190 0.016 0.000 0.471 78 P HA 0.009 nan 4.420 nan 0.000 0.262 78 P C -1.337 175.984 177.300 0.036 0.000 1.182 78 P CA 1.219 64.335 63.100 0.027 0.000 0.761 78 P CB 0.169 31.890 31.700 0.034 0.000 0.795 79 Q N 0.897 120.708 119.800 0.017 0.000 2.468 79 Q HA -0.343 nan 4.340 nan 0.000 0.256 79 Q C 1.609 177.625 176.000 0.027 0.000 0.984 79 Q CA 0.706 56.514 55.803 0.007 0.000 1.110 79 Q CB -2.185 26.595 28.738 0.069 0.000 1.527 79 Q HN 0.564 8.835 8.270 0.002 0.000 0.535 80 G N -0.876 107.938 108.800 0.022 0.000 2.476 80 G HA2 -0.478 nan 3.960 nan 0.000 0.218 80 G HA3 -0.478 nan 3.960 nan 0.000 0.218 80 G C -0.120 174.792 174.900 0.020 0.000 1.164 80 G CA 2.393 47.511 45.100 0.030 0.000 0.768 80 G HN -0.041 8.208 8.290 0.015 0.050 0.560 81 A N 1.117 123.931 122.820 -0.011 0.000 1.902 81 A HA -0.263 nan 4.320 nan 0.000 0.217 81 A C 1.774 179.338 177.584 -0.033 0.000 1.181 81 A CA 3.000 55.021 52.037 -0.027 0.000 0.623 81 A CB -1.063 17.910 19.000 -0.046 0.000 0.818 81 A HN 0.227 8.365 8.150 -0.019 0.000 0.443 82 A N -1.768 121.004 122.820 -0.080 0.000 1.933 82 A HA -0.261 nan 4.320 nan 0.000 0.218 82 A C 2.296 179.960 177.584 0.135 0.000 1.175 82 A CA 2.739 54.687 52.037 -0.148 0.000 0.628 82 A CB -0.876 17.770 19.000 -0.589 0.000 0.814 82 A HN -0.054 8.039 8.150 -0.096 0.000 0.444 83 I N -0.985 119.706 120.570 0.202 0.000 2.133 83 I HA -0.575 nan 4.170 nan 0.000 0.238 83 I C 1.712 177.917 176.117 0.147 0.000 1.074 83 I CA 4.361 65.810 61.300 0.248 0.000 1.342 83 I CB -0.041 38.065 38.000 0.176 0.000 1.053 83 I HN -0.173 8.098 8.210 0.122 0.012 0.404 84 L N -1.821 119.454 121.223 0.087 0.000 2.042 84 L HA -0.443 nan 4.340 nan 0.000 0.210 84 L C 2.477 179.366 176.870 0.032 0.000 1.076 84 L CA 3.232 58.106 54.840 0.057 0.000 0.749 84 L CB -0.757 41.323 42.059 0.035 0.000 0.893 84 L HN 0.086 8.361 8.230 0.075 0.000 0.432 85 G N -2.658 106.147 108.800 0.008 0.000 2.418 85 G HA2 -0.396 nan 3.960 nan 0.000 0.217 85 G HA3 -0.396 nan 3.960 nan 0.000 0.217 85 G C 0.462 175.292 174.900 -0.116 0.000 1.158 85 G CA 2.023 47.090 45.100 -0.055 0.000 0.771 85 G HN 0.302 8.602 8.290 0.017 0.000 0.545 86 A N 2.100 124.923 122.820 0.004 0.000 1.902 86 A HA -0.224 nan 4.320 nan 0.000 0.217 86 A C 2.084 179.777 177.584 0.181 0.000 1.181 86 A CA 2.819 54.904 52.037 0.079 0.000 0.623 86 A CB -0.682 18.536 19.000 0.363 0.000 0.818 86 A HN -0.429 7.784 8.150 0.104 0.000 0.443 87 I N -1.750 118.896 120.570 0.127 0.000 2.226 87 I HA -0.577 nan 4.170 nan 0.000 0.245 87 I C 1.959 177.962 176.117 -0.191 0.000 1.100 87 I CA 4.214 65.503 61.300 -0.019 0.000 1.374 87 I CB -0.417 37.571 38.000 -0.020 0.000 1.057 87 I HN -0.078 8.205 8.210 0.123 0.000 0.413 88 S N -0.241 115.430 115.700 -0.048 0.000 2.356 88 S HA -0.271 nan 4.470 nan 0.000 0.223 88 S C 2.606 177.236 174.600 0.050 0.000 1.032 88 S CA 3.825 62.047 58.200 0.038 0.000 1.005 88 S CB -0.411 62.806 63.200 0.029 0.000 0.867 88 S HN -0.065 8.232 8.310 -0.021 0.000 0.449 89 G N -0.086 108.673 108.800 -0.068 0.000 2.440 89 G HA2 -0.324 nan 3.960 nan 0.000 0.218 89 G HA3 -0.324 nan 3.960 nan 0.000 0.218 89 G C 0.414 175.485 174.900 0.284 0.000 1.154 89 G CA 1.929 47.038 45.100 0.015 0.000 0.767 89 G HN -0.074 8.107 8.290 -0.182 0.000 0.552 90 A N 1.880 124.802 122.820 0.170 0.000 1.883 90 A HA -0.344 nan 4.320 nan 0.000 0.217 90 A C 1.818 179.518 177.584 0.193 0.000 1.186 90 A CA 2.869 54.923 52.037 0.028 0.000 0.624 90 A CB -0.779 17.993 19.000 -0.380 0.000 0.822 90 A HN 0.076 8.284 8.150 0.097 0.000 0.444 91 H N -1.591 117.572 119.070 0.156 0.000 2.387 91 H HA -0.421 nan 4.556 nan 0.000 0.299 91 H C 2.450 177.901 175.328 0.205 0.000 1.099 91 H CA 3.331 59.468 56.048 0.150 0.000 1.315 91 H CB 0.119 29.943 29.762 0.103 0.000 1.380 91 H HN -0.171 8.069 8.280 -0.067 0.000 0.513 92 H N -0.071 119.147 119.070 0.248 0.000 2.353 92 H HA -0.308 nan 4.556 nan 0.000 0.300 92 H C 2.048 177.482 175.328 0.178 0.000 1.090 92 H CA 3.701 59.864 56.048 0.190 0.000 1.327 92 H CB -0.018 29.840 29.762 0.161 0.000 1.383 92 H HN -0.436 7.995 8.280 0.404 0.091 0.508 93 V N -0.121 119.879 119.914 0.143 0.000 2.358 93 V HA -0.470 nan 4.120 nan 0.000 0.246 93 V C 2.062 178.140 176.094 -0.027 0.000 1.047 93 V CA 4.621 66.924 62.300 0.005 0.000 1.035 93 V CB -1.033 30.786 31.823 -0.008 0.000 0.658 93 V HN -0.331 8.020 8.190 0.268 0.000 0.452 94 H N -1.048 118.038 119.070 0.027 0.000 2.387 94 H HA -0.337 nan 4.556 nan 0.000 0.299 94 H C 2.473 177.838 175.328 0.060 0.000 1.090 94 H CA 4.213 60.288 56.048 0.045 0.000 1.332 94 H CB -0.093 29.721 29.762 0.087 0.000 1.386 94 H HN 0.022 8.443 8.280 0.235 0.000 0.516 95 Q N -1.393 118.511 119.800 0.174 0.000 2.137 95 Q HA -0.117 nan 4.340 nan 0.000 0.198 95 Q C 1.607 177.702 176.000 0.157 0.000 0.960 95 Q CA 2.035 57.918 55.803 0.134 0.000 0.847 95 Q CB 0.325 29.113 28.738 0.084 0.000 0.915 95 Q HN -0.439 7.842 8.270 0.178 0.096 0.448 96 M N -3.212 116.420 119.600 0.054 0.000 2.545 96 M HA 0.129 nan 4.480 nan 0.000 0.264 96 M C 1.957 178.405 176.300 0.246 0.000 1.155 96 M CA -0.259 55.135 55.300 0.156 0.000 1.162 96 M CB 0.229 32.835 32.600 0.011 0.000 1.330 96 M HN -0.365 7.811 8.290 -0.044 0.088 0.479 97 A N -0.142 122.737 122.820 0.097 0.000 1.881 97 A HA -0.423 nan 4.320 nan 0.000 0.219 97 A C 1.191 178.822 177.584 0.078 0.000 1.215 97 A CA 3.916 55.994 52.037 0.068 0.000 0.648 97 A CB -1.241 17.743 19.000 -0.027 0.000 0.832 97 A HN 0.422 8.485 8.150 0.032 0.106 0.455 98 E N -3.887 116.292 120.200 -0.034 0.000 2.268 98 E HA -0.265 nan 4.350 nan 0.000 0.195 98 E C 1.860 178.320 176.600 -0.233 0.000 0.995 98 E CA 2.526 58.832 56.400 -0.156 0.000 0.836 98 E CB -0.550 28.991 29.700 -0.266 0.000 0.763 98 E HN 0.396 8.734 8.360 -0.036 0.000 0.491 99 H N -2.440 116.659 119.070 0.049 0.000 2.529 99 H HA -0.042 nan 4.556 nan 0.000 0.277 99 H C 0.724 176.001 175.328 -0.086 0.000 0.999 99 H CA 1.963 57.994 56.048 -0.028 0.000 1.256 99 H CB 0.415 30.140 29.762 -0.063 0.000 1.402 99 H HN -0.176 7.951 8.280 -0.016 0.143 0.566 100 Y N -1.725 118.610 120.300 0.059 0.000 2.500 100 Y HA -0.028 nan 4.550 nan 0.000 0.270 100 Y C 0.469 176.388 175.900 0.032 0.000 1.134 100 Y CA 0.734 58.859 58.100 0.041 0.000 1.293 100 Y CB 0.432 38.911 38.460 0.031 0.000 1.063 100 Y HN -0.497 7.835 8.280 0.322 0.141 0.534 101 G N -1.189 107.695 108.800 0.140 0.000 2.176 101 G HA2 -0.398 nan 3.960 nan 0.000 0.252 101 G HA3 -0.398 nan 3.960 nan 0.000 0.252 101 G C -0.956 174.084 174.900 0.233 0.000 1.024 101 G CA -0.031 45.143 45.100 0.124 0.000 0.755 101 G HN -0.592 7.577 8.290 0.105 0.184 0.507 102 V N -6.261 113.774 119.914 0.202 0.000 2.823 102 V HA 0.604 nan 4.120 nan 0.000 0.312 102 V C -2.688 173.500 176.094 0.157 0.000 1.072 102 V CA -3.900 58.512 62.300 0.187 0.000 0.937 102 V CB 2.867 34.742 31.823 0.086 0.000 1.013 102 V HN -0.526 7.766 8.190 0.170 0.000 0.430 103 P HA 0.482 nan 4.420 nan 0.000 0.293 103 P C -1.803 175.520 177.300 0.038 0.000 1.300 103 P CA -0.862 62.306 63.100 0.114 0.000 0.792 103 P CB -0.039 31.757 31.700 0.160 0.000 0.925 104 V N 4.290 124.204 119.914 -0.001 0.000 2.604 104 V HA 0.652 nan 4.120 nan 0.000 0.305 104 V C -0.942 175.116 176.094 -0.061 0.000 1.043 104 V CA -1.353 60.929 62.300 -0.031 0.000 0.888 104 V CB 3.053 34.841 31.823 -0.058 0.000 0.995 104 V HN 0.897 9.082 8.190 -0.009 0.000 0.429 105 I N 5.476 126.016 120.570 -0.049 0.000 2.336 105 I HA 0.433 nan 4.170 nan 0.000 0.292 105 I C -1.933 174.167 176.117 -0.028 0.000 0.991 105 I CA -1.088 60.181 61.300 -0.052 0.000 1.227 105 I CB 1.867 39.833 38.000 -0.057 0.000 1.366 105 I HN 0.461 8.656 8.210 -0.026 0.000 0.466 106 L N 8.234 129.439 121.223 -0.029 0.000 2.272 106 L HA 0.619 nan 4.340 nan 0.000 0.289 106 L C -2.254 174.776 176.870 0.266 0.000 1.032 106 L CA -1.487 53.346 54.840 -0.012 0.000 0.810 106 L CB 1.121 43.037 42.059 -0.238 0.000 1.205 106 L HN 0.240 8.443 8.230 -0.044 0.000 0.422 107 H N 7.516 126.697 119.070 0.185 0.000 2.946 107 H HA 0.646 nan 4.556 nan 0.000 0.365 107 H C -2.072 173.383 175.328 0.212 0.000 1.197 107 H CA -1.382 54.791 56.048 0.209 0.000 1.131 107 H CB 4.887 34.702 29.762 0.089 0.000 1.849 107 H HN 0.765 9.169 8.280 0.207 0.000 0.555 108 T N -0.466 113.807 114.554 -0.468 0.000 2.841 108 T HA 0.363 nan 4.350 nan 0.000 0.283 108 T C -1.089 173.358 174.700 -0.422 0.000 1.000 108 T CA -2.187 59.743 62.100 -0.284 0.000 0.977 108 T CB 1.951 70.537 68.868 -0.470 0.000 0.979 108 T HN -0.122 7.538 8.240 -0.967 0.000 0.446 109 D N 3.508 123.944 120.400 0.061 0.000 2.348 109 D HA 0.124 nan 4.640 nan 0.000 0.272 109 D C -0.308 176.111 176.300 0.199 0.000 1.237 109 D CA -1.113 52.984 54.000 0.161 0.000 1.042 109 D CB 1.372 42.350 40.800 0.296 0.000 1.117 109 D HN 0.396 8.815 8.370 0.266 0.110 0.548 110 H N -2.510 116.712 119.070 0.253 0.000 3.195 110 H HA -0.256 nan 4.556 nan 0.000 0.302 110 H C -0.763 174.732 175.328 0.278 0.000 0.950 110 H CA 1.649 57.842 56.048 0.243 0.000 1.398 110 H CB -0.273 29.625 29.762 0.227 0.000 1.377 110 H HN 0.259 8.814 8.280 0.459 0.000 0.572 111 C N 5.419 124.886 119.300 0.279 0.000 2.654 111 C HA 0.203 nan 4.460 nan 0.000 0.315 111 C C -1.516 173.552 174.990 0.129 0.000 1.054 111 C CA -1.794 57.379 59.018 0.258 0.000 1.419 111 C CB 0.168 27.980 27.740 0.121 0.000 1.889 111 C HN 0.548 8.884 8.230 0.177 0.000 0.447 112 A N 6.446 129.348 122.820 0.137 0.000 2.280 112 A HA 0.193 nan 4.320 nan 0.000 0.268 112 A C 0.340 177.956 177.584 0.054 0.000 1.111 112 A CA -0.372 51.716 52.037 0.085 0.000 0.814 112 A CB 0.874 19.920 19.000 0.077 0.000 1.093 112 A HN 0.301 8.549 8.150 0.164 0.000 0.498 113 K N 1.546 121.970 120.400 0.040 0.000 2.034 113 K HA -0.420 nan 4.320 nan 0.000 0.214 113 K C 2.449 179.076 176.600 0.044 0.000 1.051 113 K CA 3.738 60.047 56.287 0.037 0.000 0.931 113 K CB -0.293 32.230 32.500 0.038 0.000 0.715 113 K HN 0.665 8.940 8.250 0.042 0.000 0.446 114 K N -2.779 117.647 120.400 0.042 0.000 2.360 114 K HA -0.190 nan 4.320 nan 0.000 0.201 114 K C 1.039 177.669 176.600 0.049 0.000 1.046 114 K CA 2.174 58.484 56.287 0.039 0.000 0.945 114 K CB -0.447 32.069 32.500 0.026 0.000 0.750 114 K HN 0.009 8.282 8.250 0.038 0.000 0.464 115 L N -3.192 118.073 121.223 0.070 0.000 2.640 115 L HA 0.109 nan 4.340 nan 0.000 0.230 115 L C 0.810 177.775 176.870 0.158 0.000 1.123 115 L CA -0.483 54.424 54.840 0.111 0.000 0.900 115 L CB 0.087 42.228 42.059 0.137 0.000 1.146 115 L HN -0.232 7.875 8.230 0.070 0.165 0.484 116 L N 0.756 122.032 121.223 0.088 0.000 2.089 116 L HA -0.338 nan 4.340 nan 0.000 0.213 116 L C -1.178 175.742 176.870 0.083 0.000 1.079 116 L CA 5.489 60.355 54.840 0.044 0.000 0.758 116 L CB -2.982 39.108 42.059 0.053 0.000 0.891 116 L HN -0.655 7.452 8.230 0.069 0.164 0.433 117 P HA -0.218 nan 4.420 nan 0.000 0.221 117 P C 1.065 178.450 177.300 0.141 0.000 1.145 117 P CA 2.726 65.891 63.100 0.108 0.000 0.795 117 P CB -0.628 31.127 31.700 0.092 0.000 0.775 118 W N -0.863 120.402 121.300 -0.059 0.000 2.379 118 W HA -0.254 nan 4.660 nan 0.000 0.307 118 W C 1.065 177.490 176.519 -0.157 0.000 1.200 118 W CA 3.561 60.851 57.345 -0.092 0.000 1.297 118 W CB -0.196 29.207 29.460 -0.095 0.000 1.140 118 W HN 0.345 8.552 8.180 0.291 0.147 0.507 119 I N -1.438 118.947 120.570 -0.307 0.000 2.252 119 I HA -0.524 nan 4.170 nan 0.000 0.245 119 I C 2.157 178.120 176.117 -0.257 0.000 1.102 119 I CA 2.195 63.147 61.300 -0.580 0.000 1.385 119 I CB -1.145 36.512 38.000 -0.572 0.000 1.064 119 I HN -0.585 7.472 8.210 -0.107 0.088 0.414 120 D N 0.112 120.490 120.400 -0.036 0.000 2.104 120 D HA -0.270 nan 4.640 nan 0.000 0.194 120 D C 2.802 179.106 176.300 0.007 0.000 0.994 120 D CA 3.840 57.868 54.000 0.047 0.000 0.830 120 D CB -0.553 40.297 40.800 0.084 0.000 0.959 120 D HN 0.154 8.521 8.370 -0.006 0.000 0.452 121 G N -0.786 108.018 108.800 0.006 0.000 2.418 121 G HA2 -0.241 nan 3.960 nan 0.000 0.217 121 G HA3 -0.241 nan 3.960 nan 0.000 0.217 121 G C 1.357 176.259 174.900 0.003 0.000 1.158 121 G CA 1.885 47.001 45.100 0.027 0.000 0.771 121 G HN 0.068 8.368 8.290 0.018 0.000 0.545 122 L N 1.322 122.487 121.223 -0.097 0.000 2.131 122 L HA -0.346 nan 4.340 nan 0.000 0.210 122 L C 2.126 179.005 176.870 0.016 0.000 1.092 122 L CA 2.567 57.341 54.840 -0.109 0.000 0.759 122 L CB -0.173 41.612 42.059 -0.457 0.000 0.903 122 L HN -0.280 7.776 8.230 -0.175 0.069 0.435 123 L N -1.025 120.192 121.223 -0.009 0.000 2.109 123 L HA -0.446 nan 4.340 nan 0.000 0.207 123 L C 1.950 178.867 176.870 0.079 0.000 1.086 123 L CA 3.199 58.083 54.840 0.073 0.000 0.760 123 L CB -0.707 41.391 42.059 0.065 0.000 0.910 123 L HN 0.320 8.394 8.230 -0.080 0.108 0.437 124 D N -0.363 120.073 120.400 0.061 0.000 2.097 124 D HA -0.331 nan 4.640 nan 0.000 0.195 124 D C 2.251 178.610 176.300 0.099 0.000 0.989 124 D CA 3.625 57.667 54.000 0.069 0.000 0.827 124 D CB -0.636 40.198 40.800 0.058 0.000 0.966 124 D HN -0.259 8.055 8.370 0.042 0.082 0.456 125 A N -1.230 121.655 122.820 0.109 0.000 1.902 125 A HA -0.168 nan 4.320 nan 0.000 0.217 125 A C 2.325 180.022 177.584 0.189 0.000 1.181 125 A CA 2.841 54.963 52.037 0.141 0.000 0.623 125 A CB -0.513 18.567 19.000 0.133 0.000 0.818 125 A HN -0.296 7.908 8.150 0.091 0.000 0.443 126 G N -1.957 106.959 108.800 0.193 0.000 2.418 126 G HA2 -0.366 nan 3.960 nan 0.000 0.217 126 G HA3 -0.366 nan 3.960 nan 0.000 0.217 126 G C 1.617 176.670 174.900 0.255 0.000 1.158 126 G CA 1.816 47.056 45.100 0.234 0.000 0.771 126 G HN 0.176 8.395 8.290 0.170 0.172 0.545 127 E N 1.873 122.184 120.200 0.185 0.000 2.106 127 E HA -0.348 nan 4.350 nan 0.000 0.192 127 E C 2.439 179.176 176.600 0.228 0.000 0.984 127 E CA 3.098 59.604 56.400 0.177 0.000 0.806 127 E CB -0.144 29.613 29.700 0.096 0.000 0.750 127 E HN -0.074 8.375 8.360 0.149 0.000 0.458 128 K N -1.552 118.962 120.400 0.190 0.000 2.148 128 K HA -0.300 nan 4.320 nan 0.000 0.204 128 K C 2.414 179.119 176.600 0.175 0.000 1.050 128 K CA 3.185 59.568 56.287 0.160 0.000 0.942 128 K CB -0.144 32.436 32.500 0.133 0.000 0.724 128 K HN -0.575 7.779 8.250 0.173 0.000 0.446 129 H N 0.688 119.843 119.070 0.143 0.000 2.395 129 H HA -0.183 nan 4.556 nan 0.000 0.299 129 H C 1.741 177.150 175.328 0.135 0.000 1.070 129 H CA 3.612 59.732 56.048 0.120 0.000 1.356 129 H CB 0.686 30.519 29.762 0.118 0.000 1.401 129 H HN -0.329 8.042 8.280 0.329 0.106 0.524 130 F N 1.452 121.479 119.950 0.127 0.000 2.146 130 F HA -0.368 nan 4.527 nan 0.000 0.298 130 F C 1.244 177.049 175.800 0.008 0.000 1.096 130 F CA 3.478 61.523 58.000 0.075 0.000 1.275 130 F CB -0.085 38.972 39.000 0.096 0.000 1.008 130 F HN 0.001 8.481 8.300 0.457 0.094 0.480 131 A N -1.552 121.353 122.820 0.143 0.000 2.015 131 A HA -0.285 nan 4.320 nan 0.000 0.219 131 A C 1.002 178.536 177.584 -0.083 0.000 1.163 131 A CA 2.605 54.658 52.037 0.028 0.000 0.646 131 A CB -1.019 18.038 19.000 0.095 0.000 0.806 131 A HN 0.068 8.375 8.150 0.262 0.000 0.448 132 A N -2.202 120.554 122.820 -0.107 0.000 1.943 132 A HA -0.093 nan 4.320 nan 0.000 0.213 132 A C 1.468 178.923 177.584 -0.216 0.000 1.181 132 A CA 2.042 53.990 52.037 -0.148 0.000 0.653 132 A CB 0.740 19.654 19.000 -0.143 0.000 0.833 132 A HN -0.231 7.762 8.150 -0.070 0.114 0.451 133 T N -8.175 106.193 114.554 -0.309 0.000 2.975 133 T HA 0.213 nan 4.350 nan 0.000 0.257 133 T C 1.354 175.887 174.700 -0.279 0.000 1.003 133 T CA -0.646 61.282 62.100 -0.286 0.000 0.932 133 T CB 1.213 69.864 68.868 -0.362 0.000 1.087 133 T HN -0.064 7.976 8.240 -0.335 0.000 0.512 134 G N 2.450 110.983 108.800 -0.446 0.000 2.159 134 G HA2 -0.403 nan 3.960 nan 0.000 0.256 134 G HA3 -0.403 nan 3.960 nan 0.000 0.256 134 G C -1.030 173.552 174.900 -0.531 0.000 0.977 134 G CA 0.008 44.703 45.100 -0.675 0.000 0.652 134 G HN 0.308 8.212 8.290 -0.461 0.109 0.531 135 K N -1.003 119.286 120.400 -0.184 0.000 2.502 135 K HA 0.476 nan 4.320 nan 0.000 0.257 135 K C -2.760 174.125 176.600 0.475 0.000 0.938 135 K CA -3.339 53.068 56.287 0.199 0.000 0.819 135 K CB 2.711 35.318 32.500 0.179 0.000 1.333 135 K HN -0.689 7.399 8.250 -0.186 0.051 0.434 136 P HA 0.027 nan 4.420 nan 0.000 0.272 136 P C -1.370 176.082 177.300 0.254 0.000 1.230 136 P CA -0.242 63.096 63.100 0.397 0.000 0.788 136 P CB 0.585 32.436 31.700 0.251 0.000 0.949 137 L N -0.244 121.029 121.223 0.084 0.000 2.095 137 L HA -0.020 nan 4.340 nan 0.000 0.204 137 L C -0.308 176.537 176.870 -0.042 0.000 1.080 137 L CA 1.861 56.559 54.840 -0.236 0.000 0.759 137 L CB 0.808 42.767 42.059 -0.167 0.000 0.914 137 L HN 0.439 8.783 8.230 0.191 0.000 0.439 138 F N -5.291 114.672 119.950 0.022 0.000 2.538 138 F HA 0.282 nan 4.527 nan 0.000 0.325 138 F C -0.030 175.726 175.800 -0.072 0.000 1.066 138 F CA -0.615 57.359 58.000 -0.043 0.000 0.946 138 F CB 3.123 41.987 39.000 -0.226 0.000 1.199 138 F HN -0.643 7.821 8.300 0.272 0.000 0.473 139 S N 0.659 116.423 115.700 0.107 0.000 2.406 139 S HA 0.109 nan 4.470 nan 0.000 0.224 139 S C -0.434 174.194 174.600 0.047 0.000 1.030 139 S CA 2.603 60.837 58.200 0.057 0.000 0.958 139 S CB 1.386 64.602 63.200 0.027 0.000 0.811 139 S HN 0.533 8.916 8.310 0.120 0.000 0.489 140 S N -1.402 114.335 115.700 0.061 0.000 2.588 140 S HA 0.506 nan 4.470 nan 0.000 0.269 140 S C -2.010 172.501 174.600 -0.147 0.000 1.157 140 S CA 0.013 58.241 58.200 0.047 0.000 0.824 140 S CB 2.638 65.996 63.200 0.264 0.000 1.126 140 S HN -0.541 7.849 8.310 0.135 0.000 0.464 141 H N -1.223 117.855 119.070 0.013 0.000 2.821 141 H HA 0.490 nan 4.556 nan 0.000 0.373 141 H C -2.166 173.056 175.328 -0.176 0.000 1.165 141 H CA -0.948 54.930 56.048 -0.284 0.000 1.154 141 H CB 4.238 33.804 29.762 -0.328 0.000 1.765 141 H HN -0.078 8.243 8.280 0.068 0.000 0.549 142 M N 1.215 120.714 119.600 -0.168 0.000 2.243 142 M HA 0.546 nan 4.480 nan 0.000 0.324 142 M C -1.484 174.755 176.300 -0.100 0.000 1.031 142 M CA -1.565 53.711 55.300 -0.041 0.000 0.949 142 M CB 2.467 35.075 32.600 0.012 0.000 1.615 142 M HN 0.031 8.118 8.290 -0.337 0.000 0.430 143 I N 6.497 127.023 120.570 -0.074 0.000 2.355 143 I HA 0.050 nan 4.170 nan 0.000 0.288 143 I C -2.339 173.762 176.117 -0.026 0.000 0.999 143 I CA -0.937 60.297 61.300 -0.110 0.000 1.163 143 I CB 1.664 39.544 38.000 -0.200 0.000 1.316 143 I HN 0.771 8.966 8.210 -0.026 0.000 0.454 144 D N 7.779 128.192 120.400 0.023 0.000 2.473 144 D HA 0.213 nan 4.640 nan 0.000 0.226 144 D C -1.458 174.884 176.300 0.070 0.000 1.089 144 D CA -1.544 52.505 54.000 0.082 0.000 0.883 144 D CB 0.403 41.330 40.800 0.211 0.000 1.029 144 D HN 0.494 8.639 8.370 0.023 0.238 0.517 145 L N 3.058 124.310 121.223 0.049 0.000 3.141 145 L HA 0.297 nan 4.340 nan 0.000 0.267 145 L C 0.795 177.694 176.870 0.048 0.000 1.281 145 L CA -1.390 53.477 54.840 0.044 0.000 1.037 145 L CB -0.834 41.245 42.059 0.034 0.000 1.407 145 L HN -0.018 8.237 8.230 0.043 0.000 0.566 146 S N 0.999 116.735 115.700 0.059 0.000 2.507 146 S HA -0.275 nan 4.470 nan 0.000 0.235 146 S C 1.063 175.684 174.600 0.035 0.000 0.988 146 S CA 3.094 61.325 58.200 0.052 0.000 0.944 146 S CB 0.063 63.302 63.200 0.066 0.000 0.762 146 S HN -0.308 8.429 8.310 0.074 -0.383 0.526 147 E N -1.190 119.029 120.200 0.032 0.000 2.385 147 E HA -0.095 nan 4.350 nan 0.000 0.194 147 E C 0.011 176.622 176.600 0.017 0.000 1.013 147 E CA 0.995 57.406 56.400 0.018 0.000 0.866 147 E CB 0.139 29.849 29.700 0.016 0.000 0.832 147 E HN 0.226 8.507 8.360 0.040 0.103 0.500 148 E N -1.538 118.677 120.200 0.024 0.000 2.330 148 E HA 0.224 nan 4.350 nan 0.000 0.256 148 E C -0.783 175.829 176.600 0.019 0.000 1.146 148 E CA -1.368 55.046 56.400 0.023 0.000 0.945 148 E CB 1.239 30.957 29.700 0.030 0.000 1.182 148 E HN -0.487 7.589 8.360 0.031 0.302 0.480 149 S N -1.811 113.899 115.700 0.016 0.000 2.592 149 S HA 0.165 nan 4.470 nan 0.000 0.271 149 S C 1.293 175.904 174.600 0.019 0.000 1.326 149 S CA -1.059 57.145 58.200 0.006 0.000 1.024 149 S CB 2.164 65.362 63.200 -0.005 0.000 0.921 149 S HN 0.362 8.682 8.310 0.017 0.000 0.527 150 L N 3.181 124.407 121.223 0.006 0.000 2.021 150 L HA -0.449 nan 4.340 nan 0.000 0.215 150 L C 1.349 178.275 176.870 0.093 0.000 1.074 150 L CA 3.737 58.598 54.840 0.034 0.000 0.760 150 L CB -0.155 41.882 42.059 -0.037 0.000 0.889 150 L HN 0.782 9.003 8.230 -0.015 0.000 0.433 151 Q N -2.881 116.939 119.800 0.033 0.000 2.050 151 Q HA -0.419 nan 4.340 nan 0.000 0.202 151 Q C 2.200 178.264 176.000 0.106 0.000 0.980 151 Q CA 3.411 59.274 55.803 0.100 0.000 0.840 151 Q CB -1.133 27.616 28.738 0.019 0.000 0.898 151 Q HN -0.063 8.177 8.270 -0.032 0.011 0.424 152 E N -0.115 120.122 120.200 0.062 0.000 2.072 152 E HA -0.399 nan 4.350 nan 0.000 0.191 152 E C 2.106 178.744 176.600 0.064 0.000 0.985 152 E CA 2.670 59.104 56.400 0.056 0.000 0.801 152 E CB -0.134 29.590 29.700 0.040 0.000 0.750 152 E HN -0.740 7.646 8.360 0.043 0.000 0.452 153 N N 0.649 119.388 118.700 0.065 0.000 2.018 153 N HA -0.286 nan 4.740 nan 0.000 0.196 153 N C 2.315 177.861 175.510 0.060 0.000 1.043 153 N CA 3.162 56.249 53.050 0.061 0.000 0.856 153 N CB -0.247 38.278 38.487 0.063 0.000 1.042 153 N HN 0.033 8.449 8.380 0.061 0.000 0.423 154 I N -1.114 119.504 120.570 0.081 0.000 2.394 154 I HA -0.326 nan 4.170 nan 0.000 0.251 154 I C 2.060 178.186 176.117 0.015 0.000 1.136 154 I CA 2.085 63.405 61.300 0.033 0.000 1.425 154 I CB -1.431 36.599 38.000 0.049 0.000 1.079 154 I HN 0.060 8.344 8.210 0.123 0.000 0.425 155 E N 1.625 121.855 120.200 0.051 0.000 2.051 155 E HA -0.300 nan 4.350 nan 0.000 0.192 155 E C 2.806 179.430 176.600 0.040 0.000 0.991 155 E CA 3.549 59.970 56.400 0.035 0.000 0.799 155 E CB 0.005 29.733 29.700 0.046 0.000 0.748 155 E HN -0.322 7.976 8.360 0.078 0.108 0.449 156 I N -0.764 119.849 120.570 0.072 0.000 2.315 156 I HA -0.452 nan 4.170 nan 0.000 0.248 156 I C 1.883 178.122 176.117 0.202 0.000 1.117 156 I CA 3.896 65.278 61.300 0.136 0.000 1.404 156 I CB 0.053 38.148 38.000 0.158 0.000 1.071 156 I HN -0.066 8.185 8.210 0.069 0.000 0.419 157 C N -0.736 118.632 119.300 0.114 0.000 2.425 157 C HA -0.402 nan 4.460 nan 0.000 0.277 157 C C 2.398 177.425 174.990 0.062 0.000 1.280 157 C CA 4.615 63.686 59.018 0.088 0.000 1.744 157 C CB -1.983 25.758 27.740 0.002 0.000 1.989 157 C HN 0.315 8.588 8.230 0.073 0.000 0.491 158 S N 0.356 116.054 115.700 -0.002 0.000 2.402 158 S HA -0.368 nan 4.470 nan 0.000 0.229 158 S C 1.968 176.555 174.600 -0.021 0.000 1.021 158 S CA 4.041 62.214 58.200 -0.045 0.000 0.974 158 S CB -0.757 62.395 63.200 -0.081 0.000 0.800 158 S HN 0.204 8.510 8.310 -0.007 0.000 0.484 159 K N 3.364 123.759 120.400 -0.009 0.000 2.002 159 K HA -0.310 nan 4.320 nan 0.000 0.209 159 K C 2.486 179.005 176.600 -0.136 0.000 1.048 159 K CA 2.800 59.031 56.287 -0.094 0.000 0.930 159 K CB -0.294 32.119 32.500 -0.145 0.000 0.714 159 K HN -0.878 7.275 8.250 0.022 0.110 0.438 160 Y N -1.725 118.556 120.300 -0.031 0.000 2.242 160 Y HA -0.281 nan 4.550 nan 0.000 0.291 160 Y C 2.343 178.231 175.900 -0.020 0.000 1.137 160 Y CA 3.617 61.702 58.100 -0.025 0.000 1.181 160 Y CB 0.055 38.501 38.460 -0.024 0.000 0.989 160 Y HN -0.496 7.916 8.280 0.219 0.000 0.527 161 L N -0.578 120.714 121.223 0.115 0.000 2.131 161 L HA -0.391 nan 4.340 nan 0.000 0.210 161 L C 1.547 178.429 176.870 0.019 0.000 1.092 161 L CA 2.610 57.485 54.840 0.060 0.000 0.759 161 L CB -0.345 41.723 42.059 0.015 0.000 0.903 161 L HN 0.426 8.648 8.230 0.113 0.076 0.435 162 E N -1.012 119.180 120.200 -0.012 0.000 2.077 162 E HA -0.434 nan 4.350 nan 0.000 0.193 162 E C 2.263 178.839 176.600 -0.039 0.000 0.989 162 E CA 3.501 59.881 56.400 -0.034 0.000 0.800 162 E CB -0.206 29.462 29.700 -0.053 0.000 0.746 162 E HN -0.173 8.165 8.360 -0.016 0.012 0.452 163 R N -1.406 119.066 120.500 -0.046 0.000 2.066 163 R HA -0.243 nan 4.340 nan 0.000 0.232 163 R C 3.035 179.317 176.300 -0.031 0.000 1.131 163 R CA 2.912 58.982 56.100 -0.050 0.000 0.955 163 R CB -0.036 30.223 30.300 -0.068 0.000 0.851 163 R HN -0.764 7.474 8.270 -0.053 0.000 0.432 164 M N -0.437 119.173 119.600 0.016 0.000 2.213 164 M HA -0.338 nan 4.480 nan 0.000 0.263 164 M C 2.135 178.422 176.300 -0.023 0.000 1.062 164 M CA 3.645 58.959 55.300 0.023 0.000 1.105 164 M CB -0.115 32.533 32.600 0.080 0.000 1.385 164 M HN 0.299 8.615 8.290 0.044 0.000 0.417 165 S N 0.019 115.708 115.700 -0.019 0.000 2.382 165 S HA -0.265 nan 4.470 nan 0.000 0.228 165 S C 1.862 176.416 174.600 -0.076 0.000 1.027 165 S CA 3.740 61.923 58.200 -0.028 0.000 0.991 165 S CB -0.695 62.497 63.200 -0.013 0.000 0.823 165 S HN 0.158 8.446 8.310 -0.006 0.018 0.469 166 K N 0.571 120.906 120.400 -0.109 0.000 2.211 166 K HA -0.221 nan 4.320 nan 0.000 0.204 166 K C 0.902 177.282 176.600 -0.366 0.000 1.047 166 K CA 2.512 58.698 56.287 -0.168 0.000 0.935 166 K CB 0.050 32.461 32.500 -0.147 0.000 0.728 166 K HN -0.623 7.559 8.250 -0.087 0.016 0.452 167 I N -8.668 111.651 120.570 -0.418 0.000 3.877 167 I HA 0.345 nan 4.170 nan 0.000 0.332 167 I C -0.041 175.921 176.117 -0.258 0.000 1.525 167 I CA -1.378 59.474 61.300 -0.747 0.000 1.146 167 I CB -0.459 37.113 38.000 -0.714 0.000 1.137 167 I HN -0.686 7.243 8.210 -0.256 0.127 0.424 168 G N 0.640 109.374 108.800 -0.111 0.000 2.273 168 G HA2 -0.429 nan 3.960 nan 0.000 0.280 168 G HA3 -0.429 nan 3.960 nan 0.000 0.280 168 G C -1.056 173.859 174.900 0.024 0.000 1.047 168 G CA 0.784 45.888 45.100 0.006 0.000 0.869 168 G HN -0.081 7.946 8.290 -0.137 0.182 0.502 169 M N -1.460 118.146 119.600 0.009 0.000 2.573 169 M HA 0.441 nan 4.480 nan 0.000 0.309 169 M C -0.698 175.629 176.300 0.045 0.000 1.202 169 M CA -0.287 55.028 55.300 0.025 0.000 0.975 169 M CB 2.458 35.064 32.600 0.011 0.000 1.600 169 M HN -0.557 7.725 8.290 -0.014 0.000 0.479 170 T N 1.767 116.358 114.554 0.061 0.000 2.895 170 T HA 0.579 nan 4.350 nan 0.000 0.283 170 T C -1.954 172.825 174.700 0.131 0.000 1.014 170 T CA -0.383 61.779 62.100 0.103 0.000 1.037 170 T CB 1.638 70.576 68.868 0.116 0.000 1.006 170 T HN 0.224 8.494 8.240 0.050 0.000 0.468 171 L N 3.190 124.512 121.223 0.165 0.000 2.322 171 L HA 0.757 nan 4.340 nan 0.000 0.281 171 L C -2.431 174.552 176.870 0.188 0.000 1.014 171 L CA -1.465 53.472 54.840 0.161 0.000 0.815 171 L CB 2.802 44.941 42.059 0.134 0.000 1.247 171 L HN 0.285 8.630 8.230 0.192 0.000 0.421 172 E N 5.957 126.270 120.200 0.188 0.000 2.175 172 E HA 0.746 nan 4.350 nan 0.000 0.278 172 E C -1.907 174.759 176.600 0.110 0.000 0.969 172 E CA -1.728 54.776 56.400 0.174 0.000 0.796 172 E CB 2.739 32.591 29.700 0.252 0.000 1.104 172 E HN 0.453 8.927 8.360 0.189 0.000 0.395 173 I N -0.740 119.885 120.570 0.092 0.000 3.002 173 I HA 0.983 nan 4.170 nan 0.000 0.310 173 I C -2.514 173.627 176.117 0.039 0.000 1.087 173 I CA -2.526 58.807 61.300 0.054 0.000 1.017 173 I CB 4.067 42.098 38.000 0.052 0.000 1.226 173 I HN 0.413 8.692 8.210 0.116 0.000 0.443 174 E N 1.394 121.613 120.200 0.032 0.000 2.241 174 E HA 0.463 nan 4.350 nan 0.000 0.263 174 E C -1.458 175.180 176.600 0.063 0.000 0.882 174 E CA -1.602 54.818 56.400 0.032 0.000 0.769 174 E CB 3.568 33.282 29.700 0.023 0.000 1.185 174 E HN 0.084 8.465 8.360 0.035 0.000 0.415 175 L N 7.530 128.800 121.223 0.078 0.000 2.312 175 L HA 0.330 nan 4.340 nan 0.000 0.281 175 L C -0.681 176.234 176.870 0.075 0.000 1.070 175 L CA -1.403 53.485 54.840 0.081 0.000 0.805 175 L CB 0.995 43.111 42.059 0.096 0.000 1.174 175 L HN 0.661 8.940 8.230 0.082 0.000 0.434 176 G N 0.593 109.429 108.800 0.059 0.000 2.992 176 G HA2 0.238 nan 3.960 nan 0.000 0.201 176 G HA3 0.238 nan 3.960 nan 0.000 0.201 176 G C -0.319 174.600 174.900 0.032 0.000 2.057 176 G CA -0.533 44.594 45.100 0.045 0.000 0.800 176 G HN 0.062 8.385 8.290 0.056 0.000 0.700 177 C N -1.456 117.851 119.300 0.012 0.000 3.690 177 C HA -0.319 nan 4.460 nan 0.000 0.295 177 C C -1.243 173.735 174.990 -0.019 0.000 1.283 177 C CA 0.793 59.808 59.018 -0.005 0.000 2.212 177 C CB -2.992 24.746 27.740 -0.004 0.000 1.407 177 C HN 0.280 8.517 8.230 0.011 0.000 0.595 178 T N -0.577 113.961 114.554 -0.027 0.000 3.486 178 T HA 0.075 nan 4.350 nan 0.000 0.375 178 T C -1.287 173.387 174.700 -0.044 0.000 1.459 178 T CA 0.323 62.392 62.100 -0.052 0.000 1.151 178 T CB 2.868 71.717 68.868 -0.031 0.000 1.336 178 T HN -0.136 8.092 8.240 -0.021 0.000 0.477 179 G N 2.260 111.030 108.800 -0.050 0.000 4.094 179 G HA2 0.139 nan 3.960 nan 0.000 0.177 179 G HA3 0.139 nan 3.960 nan 0.000 0.177 179 G C -1.532 173.356 174.900 -0.020 0.000 1.135 179 G CA 0.968 46.048 45.100 -0.033 0.000 0.922 179 G HN 0.313 8.564 8.290 -0.066 0.000 0.533 180 G N 0.209 108.990 108.800 -0.032 0.000 2.650 180 G HA2 -0.203 nan 3.960 nan 0.000 0.686 180 G HA3 -0.203 nan 3.960 nan 0.000 0.686 180 G C -0.767 174.120 174.900 -0.021 0.000 1.205 180 G CA -0.260 44.824 45.100 -0.025 0.000 0.781 180 G HN -0.405 7.858 8.290 -0.045 0.000 0.648 181 E N 3.229 123.412 120.200 -0.028 0.000 2.340 181 E HA -0.176 nan 4.350 nan 0.000 0.194 181 E C 0.255 176.839 176.600 -0.028 0.000 0.996 181 E CA 0.235 56.619 56.400 -0.027 0.000 0.869 181 E CB 0.968 30.650 29.700 -0.030 0.000 0.835 181 E HN 0.093 8.432 8.360 -0.034 0.000 0.493 182 E N -0.863 119.315 120.200 -0.037 0.000 2.271 182 E HA -0.319 nan 4.350 nan 0.000 0.223 182 E C -1.322 175.247 176.600 -0.052 0.000 1.223 182 E CA 0.965 57.332 56.400 -0.054 0.000 0.704 182 E CB -1.696 27.979 29.700 -0.041 0.000 1.194 182 E HN 0.205 8.542 8.360 -0.038 0.000 0.375 183 D N -0.950 119.420 120.400 -0.050 0.000 2.595 183 D HA 0.351 nan 4.640 nan 0.000 0.268 183 D C -0.008 176.263 176.300 -0.049 0.000 1.181 183 D CA -0.497 53.477 54.000 -0.043 0.000 1.085 183 D CB 1.914 42.694 40.800 -0.034 0.000 1.186 183 D HN -0.327 8.012 8.370 -0.051 0.000 0.621 184 G N -1.128 107.647 108.800 -0.041 0.000 2.936 184 G HA2 0.101 nan 3.960 nan 0.000 0.227 184 G HA3 0.101 nan 3.960 nan 0.000 0.227 184 G C -0.593 174.287 174.900 -0.033 0.000 3.708 184 G CA -0.088 44.987 45.100 -0.041 0.000 0.519 184 G HN 0.096 8.365 8.290 -0.035 0.000 0.369 185 V N -0.402 119.495 119.914 -0.028 0.000 6.561 185 V HA 0.712 nan 4.120 nan 0.000 0.157 185 V C -0.157 175.925 176.094 -0.020 0.000 1.389 185 V CA 0.302 62.589 62.300 -0.023 0.000 1.058 185 V CB 1.273 33.084 31.823 -0.019 0.000 2.168 185 V HN 0.050 8.223 8.190 -0.029 0.000 0.310 186 D N -0.698 119.693 120.400 -0.016 0.000 2.692 186 D HA 0.262 nan 4.640 nan 0.000 0.290 186 D C -0.009 176.286 176.300 -0.009 0.000 1.455 186 D CA 0.191 54.183 54.000 -0.013 0.000 0.796 186 D CB 0.674 41.467 40.800 -0.011 0.000 1.131 186 D HN 0.350 8.712 8.370 -0.015 0.000 0.467 187 N N -0.484 118.211 118.700 -0.009 0.000 2.473 187 N HA -0.065 nan 4.740 nan 0.000 0.319 187 N C -0.313 175.202 175.510 0.009 0.000 0.632 187 N CA 0.009 53.058 53.050 -0.000 0.000 0.968 187 N CB 0.613 39.103 38.487 0.004 0.000 2.133 187 N HN -0.346 8.027 8.380 -0.012 0.000 1.457 188 S N 1.104 116.811 115.700 0.012 0.000 2.559 188 S HA -0.008 nan 4.470 nan 0.000 0.282 188 S C -0.018 174.611 174.600 0.048 0.000 1.336 188 S CA 0.841 59.063 58.200 0.035 0.000 1.037 188 S CB 0.266 63.482 63.200 0.027 0.000 0.853 188 S HN -0.145 8.166 8.310 0.002 0.000 0.523 189 H N 2.821 121.885 119.070 -0.011 0.000 2.598 189 H HA 0.024 nan 4.556 nan 0.000 0.371 189 H C -0.488 174.834 175.328 -0.010 0.000 1.468 189 H CA 0.505 56.547 56.048 -0.009 0.000 1.454 189 H CB 0.923 30.680 29.762 -0.007 0.000 1.579 189 H HN 0.098 8.489 8.280 0.184 0.000 0.611 190 M N 1.054 120.643 119.600 -0.019 0.000 2.550 190 M HA 0.052 nan 4.480 nan 0.000 0.292 190 M C -1.094 175.235 176.300 0.049 0.000 1.221 190 M CA -0.106 55.199 55.300 0.007 0.000 0.873 190 M CB 1.909 34.479 32.600 -0.050 0.000 1.727 190 M HN 0.029 8.197 8.290 -0.204 0.000 0.459 191 D N 1.107 121.525 120.400 0.031 0.000 4.704 191 D HA -0.252 nan 4.640 nan 0.000 0.225 191 D C -1.991 174.334 176.300 0.042 0.000 1.436 191 D CA 0.752 54.771 54.000 0.032 0.000 1.085 191 D CB -0.017 40.806 40.800 0.038 0.000 0.518 191 D HN 0.417 8.800 8.370 0.022 0.000 0.246 192 A N 5.046 127.878 122.820 0.020 0.000 2.547 192 A HA 0.109 nan 4.320 nan 0.000 0.298 192 A C -2.117 175.454 177.584 -0.022 0.000 1.062 192 A CA -0.109 51.936 52.037 0.014 0.000 0.748 192 A CB 2.011 21.021 19.000 0.016 0.000 1.288 192 A HN 0.206 8.356 8.150 0.001 0.000 0.396 193 S N 0.689 116.375 115.700 -0.024 0.000 2.588 193 S HA 0.314 nan 4.470 nan 0.000 0.275 193 S C -1.399 173.159 174.600 -0.069 0.000 1.130 193 S CA -0.329 57.811 58.200 -0.099 0.000 0.855 193 S CB 0.755 63.819 63.200 -0.228 0.000 1.116 193 S HN 0.005 8.322 8.310 0.011 0.000 0.472 194 A N 2.929 125.675 122.820 -0.122 0.000 2.474 194 A HA 0.188 nan 4.320 nan 0.000 0.249 194 A C -1.162 176.357 177.584 -0.108 0.000 0.891 194 A CA 0.322 52.320 52.037 -0.065 0.000 1.135 194 A CB 0.744 19.720 19.000 -0.040 0.000 1.191 194 A HN 0.455 8.494 8.150 -0.184 0.000 0.471 195 L N -2.777 118.295 121.223 -0.253 0.000 2.719 195 L HA 0.452 nan 4.340 nan 0.000 0.236 195 L C -2.043 174.617 176.870 -0.350 0.000 1.221 195 L CA -0.423 54.266 54.840 -0.252 0.000 1.048 195 L CB -1.171 40.745 42.059 -0.237 0.000 1.364 195 L HN -0.491 7.502 8.230 -0.395 0.000 0.447 196 Y N -1.443 118.853 120.300 -0.006 0.000 2.513 196 Y HA 0.061 nan 4.550 nan 0.000 0.340 196 Y C -0.106 175.789 175.900 -0.008 0.000 1.055 196 Y CA -1.168 56.934 58.100 0.002 0.000 1.020 196 Y CB 3.617 42.079 38.460 0.003 0.000 1.301 196 Y HN -0.752 7.495 8.280 0.027 0.049 0.453 197 T N 5.912 120.568 114.554 0.170 0.000 2.871 197 T HA -0.142 nan 4.350 nan 0.000 0.296 197 T C -0.307 174.413 174.700 0.035 0.000 0.998 197 T CA 1.325 63.471 62.100 0.076 0.000 1.162 197 T CB -0.230 68.673 68.868 0.057 0.000 0.947 197 T HN 0.309 8.672 8.240 0.205 0.000 0.536 198 Q N 5.296 125.099 119.800 0.005 0.000 2.260 198 Q HA 0.412 nan 4.340 nan 0.000 0.242 198 Q C -0.257 175.683 176.000 -0.101 0.000 0.932 198 Q CA -2.659 53.116 55.803 -0.047 0.000 0.891 198 Q CB -0.467 28.236 28.738 -0.058 0.000 1.222 198 Q HN -0.481 8.008 8.270 0.010 -0.214 0.453 199 P HA -0.215 nan 4.420 nan 0.000 0.218 199 P C 0.850 177.893 177.300 -0.428 0.000 1.148 199 P CA 3.055 65.981 63.100 -0.290 0.000 0.822 199 P CB 0.159 31.612 31.700 -0.412 0.000 0.784 200 E N -3.267 116.660 120.200 -0.455 0.000 2.077 200 E HA -0.368 nan 4.350 nan 0.000 0.193 200 E C 2.240 178.818 176.600 -0.037 0.000 0.989 200 E CA 4.057 60.277 56.400 -0.300 0.000 0.800 200 E CB -1.078 28.513 29.700 -0.182 0.000 0.746 200 E HN 0.468 8.569 8.360 -0.390 0.025 0.452 201 D N -0.193 120.198 120.400 -0.016 0.000 2.117 201 D HA -0.186 nan 4.640 nan 0.000 0.198 201 D C 2.371 178.764 176.300 0.156 0.000 0.982 201 D CA 2.950 56.997 54.000 0.079 0.000 0.828 201 D CB -0.339 40.487 40.800 0.044 0.000 0.967 201 D HN -0.506 7.731 8.370 -0.065 0.094 0.464 202 V N 0.486 120.467 119.914 0.112 0.000 2.295 202 V HA -0.458 nan 4.120 nan 0.000 0.246 202 V C 1.790 178.013 176.094 0.214 0.000 1.049 202 V CA 4.448 66.850 62.300 0.169 0.000 1.024 202 V CB -0.651 31.276 31.823 0.172 0.000 0.648 202 V HN -0.501 7.717 8.190 0.047 0.000 0.447 203 D N -0.204 120.323 120.400 0.211 0.000 2.123 203 D HA -0.347 nan 4.640 nan 0.000 0.196 203 D C 1.463 177.967 176.300 0.341 0.000 0.992 203 D CA 3.430 57.634 54.000 0.340 0.000 0.833 203 D CB 0.099 41.166 40.800 0.446 0.000 0.954 203 D HN 0.095 8.532 8.370 0.113 0.000 0.455 204 Y N 0.516 120.910 120.300 0.156 0.000 2.145 204 Y HA -0.448 nan 4.550 nan 0.000 0.286 204 Y C 1.186 177.126 175.900 0.068 0.000 1.145 204 Y CA 3.605 61.770 58.100 0.108 0.000 1.148 204 Y CB -0.087 38.408 38.460 0.059 0.000 0.981 204 Y HN -0.288 8.112 8.280 0.338 0.083 0.507 205 A N -1.379 121.467 122.820 0.044 0.000 1.877 205 A HA -0.404 nan 4.320 nan 0.000 0.216 205 A C 1.530 178.997 177.584 -0.196 0.000 1.186 205 A CA 3.040 55.014 52.037 -0.105 0.000 0.620 205 A CB -1.227 17.793 19.000 0.034 0.000 0.822 205 A HN 0.033 8.316 8.150 0.222 0.000 0.443 206 Y N -1.146 119.100 120.300 -0.091 0.000 2.114 206 Y HA -0.512 nan 4.550 nan 0.000 0.284 206 Y C 2.293 178.130 175.900 -0.106 0.000 1.143 206 Y CA 4.144 62.240 58.100 -0.006 0.000 1.135 206 Y CB 0.128 38.621 38.460 0.055 0.000 0.980 206 Y HN 0.211 8.628 8.280 0.230 0.000 0.499 207 T N 1.146 115.640 114.554 -0.100 0.000 2.684 207 T HA -0.453 nan 4.350 nan 0.000 0.267 207 T C 2.390 176.920 174.700 -0.283 0.000 1.036 207 T CA 4.679 66.683 62.100 -0.160 0.000 1.148 207 T CB -0.630 68.291 68.868 0.090 0.000 0.863 207 T HN -0.030 8.299 8.240 0.148 0.000 0.436 208 E N 0.449 120.425 120.200 -0.373 0.000 2.047 208 E HA -0.185 nan 4.350 nan 0.000 0.191 208 E C 2.812 179.196 176.600 -0.359 0.000 0.987 208 E CA 2.367 58.539 56.400 -0.380 0.000 0.799 208 E CB -0.507 28.871 29.700 -0.536 0.000 0.752 208 E HN -0.423 7.677 8.360 -0.433 0.000 0.449 209 L N -0.302 120.626 121.223 -0.493 0.000 2.093 209 L HA -0.297 nan 4.340 nan 0.000 0.208 209 L C 1.976 178.610 176.870 -0.392 0.000 1.085 209 L CA 2.708 57.204 54.840 -0.574 0.000 0.755 209 L CB -0.313 41.053 42.059 -1.155 0.000 0.904 209 L HN -0.023 7.878 8.230 -0.548 0.000 0.435 210 S N -0.784 114.696 115.700 -0.368 0.000 2.442 210 S HA -0.234 nan 4.470 nan 0.000 0.236 210 S C 0.894 175.403 174.600 -0.150 0.000 1.007 210 S CA 3.097 61.175 58.200 -0.203 0.000 0.965 210 S CB -0.460 62.430 63.200 -0.517 0.000 0.773 210 S HN 0.038 8.042 8.310 -0.510 0.000 0.504 211 K N -0.790 119.510 120.400 -0.166 0.000 2.365 211 K HA -0.182 nan 4.320 nan 0.000 0.199 211 K C 0.780 177.333 176.600 -0.077 0.000 1.045 211 K CA 2.196 58.419 56.287 -0.107 0.000 0.962 211 K CB 0.421 32.858 32.500 -0.105 0.000 0.759 211 K HN -0.681 7.396 8.250 -0.219 0.042 0.469 212 I N -3.130 117.390 120.570 -0.083 0.000 2.900 212 I HA -0.053 nan 4.170 nan 0.000 0.251 212 I C 0.269 176.375 176.117 -0.018 0.000 1.102 212 I CA 1.113 62.382 61.300 -0.052 0.000 1.457 212 I CB 1.963 39.924 38.000 -0.065 0.000 1.285 212 I HN -0.324 7.648 8.210 -0.114 0.170 0.459 213 S N -3.073 112.637 115.700 0.015 0.000 2.537 213 S HA 0.261 nan 4.470 nan 0.000 0.271 213 S C -2.270 172.438 174.600 0.179 0.000 1.148 213 S CA -2.955 55.285 58.200 0.067 0.000 0.868 213 S CB 1.671 64.912 63.200 0.068 0.000 1.115 213 S HN -0.426 7.885 8.310 0.002 0.000 0.461 214 P HA 0.090 nan 4.420 nan 0.000 0.245 214 P C -0.335 176.880 177.300 -0.143 0.000 1.206 214 P CA 0.374 63.468 63.100 -0.010 0.000 0.781 214 P CB 0.559 32.220 31.700 -0.065 0.000 0.994 215 R N 1.386 121.912 120.500 0.043 0.000 3.688 215 R HA 0.060 nan 4.340 nan 0.000 0.194 215 R C -1.645 174.747 176.300 0.154 0.000 1.677 215 R CA 0.083 56.203 56.100 0.034 0.000 1.351 215 R CB -1.601 28.732 30.300 0.055 0.000 1.338 215 R HN -0.471 7.793 8.270 0.102 0.067 0.731 216 F N -1.723 118.234 119.950 0.012 0.000 2.631 216 F HA 0.750 nan 4.527 nan 0.000 0.308 216 F C -2.117 173.678 175.800 -0.009 0.000 1.097 216 F CA -2.288 55.718 58.000 0.011 0.000 0.952 216 F CB 2.737 41.730 39.000 -0.011 0.000 1.307 216 F HN -0.374 7.568 8.300 -0.523 0.045 0.450 217 T N -4.155 110.492 114.554 0.156 0.000 2.916 217 T HA 0.733 nan 4.350 nan 0.000 0.292 217 T C -1.569 173.200 174.700 0.116 0.000 1.055 217 T CA -2.275 59.825 62.100 -0.000 0.000 1.009 217 T CB 2.961 71.778 68.868 -0.086 0.000 1.118 217 T HN 0.558 8.942 8.240 0.240 0.000 0.497 218 I N 0.405 121.021 120.570 0.076 0.000 2.466 218 I HA 0.623 nan 4.170 nan 0.000 0.289 218 I C -1.925 174.336 176.117 0.239 0.000 1.026 218 I CA -1.315 60.098 61.300 0.188 0.000 1.078 218 I CB 3.550 41.706 38.000 0.261 0.000 1.249 218 I HN 0.683 8.872 8.210 -0.034 0.000 0.429 219 A N 7.663 130.553 122.820 0.117 0.000 2.280 219 A HA 0.572 nan 4.320 nan 0.000 0.320 219 A C -2.342 175.282 177.584 0.066 0.000 1.366 219 A CA -1.778 50.277 52.037 0.029 0.000 0.938 219 A CB 1.001 19.855 19.000 -0.243 0.000 1.157 219 A HN 1.009 9.103 8.150 0.084 0.107 0.536 220 A N 2.880 125.737 122.820 0.063 0.000 2.281 220 A HA 0.646 nan 4.320 nan 0.000 0.329 220 A C -1.050 176.649 177.584 0.191 0.000 1.122 220 A CA -1.981 50.092 52.037 0.060 0.000 0.850 220 A CB 1.549 20.477 19.000 -0.120 0.000 1.207 220 A HN 0.175 8.332 8.150 0.012 0.000 0.495 221 S N 0.470 116.280 115.700 0.183 0.000 2.410 221 S HA 0.339 nan 4.470 nan 0.000 0.304 221 S C -0.910 173.873 174.600 0.305 0.000 1.095 221 S CA -0.032 58.299 58.200 0.219 0.000 1.089 221 S CB -0.109 63.184 63.200 0.156 0.000 0.968 221 S HN 0.300 8.688 8.310 0.131 0.000 0.480 222 F N 1.362 121.309 119.950 -0.005 0.000 2.749 222 F HA 0.499 nan 4.527 nan 0.000 0.380 222 F C -0.557 175.200 175.800 -0.072 0.000 1.365 222 F CA -2.563 55.355 58.000 -0.136 0.000 1.186 222 F CB -0.093 38.716 39.000 -0.317 0.000 1.080 222 F HN 0.648 9.280 8.300 -0.013 -0.340 0.513 223 G N 0.283 109.148 108.800 0.109 0.000 2.143 223 G HA2 -0.465 nan 3.960 nan 0.000 0.249 223 G HA3 -0.465 nan 3.960 nan 0.000 0.249 223 G C -1.153 173.676 174.900 -0.118 0.000 0.981 223 G CA 0.224 45.408 45.100 0.140 0.000 0.665 223 G HN 0.499 8.968 8.290 0.298 0.000 0.528 224 N N -2.000 116.509 118.700 -0.319 0.000 2.868 224 N HA 0.061 nan 4.740 nan 0.000 0.252 224 N C -0.571 175.006 175.510 0.112 0.000 1.130 224 N CA -1.514 51.412 53.050 -0.207 0.000 1.026 224 N CB -1.216 36.981 38.487 -0.482 0.000 1.335 224 N HN -0.255 7.838 8.380 -0.395 0.050 0.516 225 V N -2.707 117.259 119.914 0.087 0.000 2.673 225 V HA -0.033 nan 4.120 nan 0.000 0.303 225 V C -1.431 174.771 176.094 0.181 0.000 1.046 225 V CA 0.652 63.004 62.300 0.086 0.000 1.126 225 V CB -0.672 31.180 31.823 0.048 0.000 0.934 225 V HN -0.633 7.583 8.190 0.044 0.000 0.487 226 H N 0.266 119.344 119.070 0.013 0.000 2.984 226 H HA 0.080 nan 4.556 nan 0.000 0.298 226 H C -1.113 174.190 175.328 -0.042 0.000 1.378 226 H CA -1.026 55.021 56.048 -0.001 0.000 1.241 226 H CB 1.214 31.010 29.762 0.057 0.000 1.894 226 H HN -0.175 7.997 8.280 -0.181 0.000 0.511 227 G N -0.414 108.319 108.800 -0.111 0.000 2.374 227 G HA2 -0.239 nan 3.960 nan 0.000 0.289 227 G HA3 -0.239 nan 3.960 nan 0.000 0.289 227 G C -0.576 174.175 174.900 -0.248 0.000 1.004 227 G CA 0.893 45.872 45.100 -0.203 0.000 1.292 227 G HN 0.622 8.918 8.290 0.009 0.000 0.502 228 V N -3.029 116.717 119.914 -0.281 0.000 3.626 228 V HA -0.401 nan 4.120 nan 0.000 0.518 228 V C -1.062 174.813 176.094 -0.365 0.000 0.682 228 V CA -0.115 61.922 62.300 -0.438 0.000 2.074 228 V CB -0.288 31.335 31.823 -0.334 0.000 2.490 228 V HN -0.481 7.559 8.190 -0.251 0.000 0.513 229 Y N -0.691 119.574 120.300 -0.057 0.000 2.550 229 Y HA -0.054 nan 4.550 nan 0.000 0.343 229 Y C 0.462 176.326 175.900 -0.060 0.000 1.245 229 Y CA 0.376 58.445 58.100 -0.052 0.000 1.462 229 Y CB 0.347 38.781 38.460 -0.042 0.000 1.340 229 Y HN 0.117 7.952 8.280 -0.742 0.000 0.604 230 K N 1.853 122.342 120.400 0.150 0.000 2.287 230 K HA -0.052 nan 4.320 nan 0.000 0.199 230 K C -0.703 175.905 176.600 0.013 0.000 1.061 230 K CA -0.134 56.181 56.287 0.046 0.000 0.976 230 K CB 0.596 33.116 32.500 0.034 0.000 0.898 230 K HN 0.287 8.669 8.250 0.220 0.000 0.492 231 A N -0.727 122.101 122.820 0.013 0.000 2.189 231 A HA -0.164 nan 4.320 nan 0.000 0.272 231 A C -0.477 177.085 177.584 -0.037 0.000 1.349 231 A CA 1.017 53.038 52.037 -0.025 0.000 0.778 231 A CB -1.298 17.685 19.000 -0.029 0.000 1.088 231 A HN 0.152 8.325 8.150 0.038 0.000 0.351 232 G N -5.957 102.819 108.800 -0.040 0.000 3.912 232 G HA2 -0.007 nan 3.960 nan 0.000 0.203 232 G HA3 -0.007 nan 3.960 nan 0.000 0.203 232 G C -1.797 173.072 174.900 -0.051 0.000 1.112 232 G CA -0.081 44.984 45.100 -0.059 0.000 0.871 232 G HN -0.038 8.222 8.290 -0.030 0.012 0.549 233 N N -1.566 117.117 118.700 -0.028 0.000 2.556 233 N HA -0.310 nan 4.740 nan 0.000 0.288 233 N C -1.335 174.181 175.510 0.010 0.000 1.226 233 N CA 0.469 53.515 53.050 -0.006 0.000 0.719 233 N CB 0.013 38.496 38.487 -0.006 0.000 0.923 233 N HN -0.296 8.070 8.380 -0.024 0.000 0.544 234 V N -5.060 114.871 119.914 0.028 0.000 3.234 234 V HA 0.551 nan 4.120 nan 0.000 0.317 234 V C -1.116 175.054 176.094 0.127 0.000 1.081 234 V CA -1.150 61.213 62.300 0.104 0.000 1.037 234 V CB 2.223 34.119 31.823 0.122 0.000 1.148 234 V HN -0.754 7.450 8.190 0.022 0.000 0.453 235 V N -4.282 115.745 119.914 0.189 0.000 2.888 235 V HA 0.448 nan 4.120 nan 0.000 0.309 235 V C -1.100 175.030 176.094 0.060 0.000 1.114 235 V CA -1.825 60.536 62.300 0.102 0.000 0.940 235 V CB 2.712 34.587 31.823 0.086 0.000 1.021 235 V HN 0.105 8.499 8.190 0.341 0.000 0.426 236 L N 3.057 124.292 121.223 0.020 0.000 2.615 236 L HA 0.030 nan 4.340 nan 0.000 0.271 236 L C -0.133 176.740 176.870 0.006 0.000 1.183 236 L CA 1.413 56.237 54.840 -0.026 0.000 0.933 236 L CB -0.496 41.587 42.059 0.038 0.000 1.199 236 L HN 0.337 8.589 8.230 0.036 0.000 0.487 237 T N 9.458 123.997 114.554 -0.025 0.000 3.250 237 T HA 0.432 nan 4.350 nan 0.000 0.391 237 T C -1.242 173.490 174.700 0.052 0.000 1.502 237 T CA -2.038 60.019 62.100 -0.073 0.000 1.320 237 T CB -0.210 68.421 68.868 -0.395 0.000 1.102 237 T HN 0.755 8.959 8.240 -0.059 0.000 0.610 238 P HA -0.158 nan 4.420 nan 0.000 0.218 238 P C 1.001 178.255 177.300 -0.077 0.000 1.146 238 P CA 2.279 65.411 63.100 0.054 0.000 0.813 238 P CB -0.234 31.588 31.700 0.204 0.000 0.778 239 T N -6.381 108.113 114.554 -0.100 0.000 2.977 239 T HA -0.181 nan 4.350 nan 0.000 0.271 239 T C 1.862 176.339 174.700 -0.371 0.000 1.105 239 T CA 2.727 64.637 62.100 -0.317 0.000 1.116 239 T CB -1.222 67.540 68.868 -0.177 0.000 0.878 239 T HN 0.236 8.431 8.240 -0.023 0.031 0.509 240 I N -1.037 119.339 120.570 -0.323 0.000 2.493 240 I HA -0.282 nan 4.170 nan 0.000 0.254 240 I C 0.774 176.656 176.117 -0.392 0.000 1.160 240 I CA 3.218 64.336 61.300 -0.303 0.000 1.445 240 I CB -0.395 37.457 38.000 -0.248 0.000 1.086 240 I HN -0.509 7.492 8.210 -0.284 0.038 0.433 241 L N 0.114 121.001 121.223 -0.559 0.000 2.044 241 L HA -0.386 nan 4.340 nan 0.000 0.205 241 L C 1.848 178.489 176.870 -0.381 0.000 1.075 241 L CA 2.994 57.442 54.840 -0.654 0.000 0.747 241 L CB -0.856 40.744 42.059 -0.765 0.000 0.903 241 L HN -0.305 7.456 8.230 -0.561 0.133 0.435 242 R N -0.300 119.806 120.500 -0.657 0.000 2.094 242 R HA -0.505 nan 4.340 nan 0.000 0.239 242 R C 1.979 178.095 176.300 -0.307 0.000 1.137 242 R CA 3.820 59.495 56.100 -0.708 0.000 0.943 242 R CB -0.367 29.188 30.300 -1.242 0.000 0.850 242 R HN -0.774 6.933 8.270 -0.836 0.062 0.433 243 D N -1.805 118.439 120.400 -0.259 0.000 2.178 243 D HA -0.184 nan 4.640 nan 0.000 0.201 243 D C 2.650 178.937 176.300 -0.023 0.000 0.980 243 D CA 3.205 57.138 54.000 -0.112 0.000 0.842 243 D CB -0.882 39.853 40.800 -0.107 0.000 0.948 243 D HN 0.051 8.220 8.370 -0.336 0.000 0.472 244 S N 0.591 116.267 115.700 -0.039 0.000 2.368 244 S HA -0.248 nan 4.470 nan 0.000 0.224 244 S C 2.025 176.691 174.600 0.110 0.000 1.029 244 S CA 3.907 62.147 58.200 0.068 0.000 0.988 244 S CB -0.122 63.157 63.200 0.132 0.000 0.838 244 S HN -0.485 7.648 8.310 -0.121 0.104 0.462 245 Q N 0.898 120.738 119.800 0.067 0.000 2.050 245 Q HA -0.303 nan 4.340 nan 0.000 0.202 245 Q C 2.563 178.548 176.000 -0.025 0.000 0.980 245 Q CA 3.164 58.954 55.803 -0.021 0.000 0.840 245 Q CB -0.325 28.365 28.738 -0.079 0.000 0.898 245 Q HN -0.149 8.150 8.270 0.049 0.000 0.424 246 E N -0.662 119.539 120.200 0.003 0.000 2.077 246 E HA -0.300 nan 4.350 nan 0.000 0.193 246 E C 2.310 178.939 176.600 0.049 0.000 0.989 246 E CA 2.529 58.946 56.400 0.028 0.000 0.800 246 E CB -0.550 29.167 29.700 0.028 0.000 0.746 246 E HN -0.245 8.105 8.360 -0.016 0.000 0.452 247 Y N 1.018 121.301 120.300 -0.028 0.000 2.145 247 Y HA -0.406 nan 4.550 nan 0.000 0.286 247 Y C 2.077 177.979 175.900 0.002 0.000 1.145 247 Y CA 4.073 62.167 58.100 -0.009 0.000 1.148 247 Y CB 0.161 38.623 38.460 0.003 0.000 0.981 247 Y HN -0.189 8.209 8.280 0.196 0.000 0.507 248 V N -1.342 118.671 119.914 0.166 0.000 2.358 248 V HA -0.512 nan 4.120 nan 0.000 0.246 248 V C 2.336 178.416 176.094 -0.023 0.000 1.047 248 V CA 4.265 66.605 62.300 0.066 0.000 1.035 248 V CB -1.125 30.605 31.823 -0.154 0.000 0.658 248 V HN -0.117 8.191 8.190 0.197 0.000 0.452 249 S N -0.369 115.293 115.700 -0.064 0.000 2.353 249 S HA -0.341 nan 4.470 nan 0.000 0.222 249 S C 2.153 176.727 174.600 -0.044 0.000 1.035 249 S CA 4.120 62.288 58.200 -0.053 0.000 1.025 249 S CB -0.474 62.707 63.200 -0.032 0.000 0.902 249 S HN 0.181 8.459 8.310 -0.054 0.000 0.440 250 K N 1.751 122.104 120.400 -0.079 0.000 1.985 250 K HA -0.270 nan 4.320 nan 0.000 0.210 250 K C 2.814 179.316 176.600 -0.164 0.000 1.047 250 K CA 3.097 59.315 56.287 -0.115 0.000 0.932 250 K CB -0.055 32.356 32.500 -0.148 0.000 0.716 250 K HN -0.213 7.991 8.250 -0.077 0.000 0.439 251 K N -1.634 118.605 120.400 -0.268 0.000 2.097 251 K HA -0.234 nan 4.320 nan 0.000 0.206 251 K C 1.691 178.071 176.600 -0.367 0.000 1.049 251 K CA 2.431 58.500 56.287 -0.364 0.000 0.933 251 K CB 0.044 32.234 32.500 -0.517 0.000 0.717 251 K HN -0.343 7.714 8.250 -0.322 0.000 0.442 252 H N -5.383 113.640 119.070 -0.079 0.000 2.594 252 H HA 0.113 nan 4.556 nan 0.000 0.279 252 H C -0.842 174.476 175.328 -0.017 0.000 1.042 252 H CA -0.507 55.533 56.048 -0.014 0.000 1.177 252 H CB 0.602 30.384 29.762 0.033 0.000 1.524 252 H HN -0.405 7.861 8.280 0.009 0.020 0.537 253 N N -1.656 117.066 118.700 0.037 0.000 2.738 253 N HA -0.414 nan 4.740 nan 0.000 0.249 253 N C -1.426 174.103 175.510 0.032 0.000 1.047 253 N CA 1.381 54.444 53.050 0.021 0.000 0.707 253 N CB -1.371 37.128 38.487 0.020 0.000 0.937 253 N HN -0.226 8.148 8.380 -0.011 0.000 0.545 254 L N -1.514 119.720 121.223 0.019 0.000 2.334 254 L HA 0.487 nan 4.340 nan 0.000 0.272 254 L C -1.401 175.462 176.870 -0.011 0.000 1.020 254 L CA -2.950 51.888 54.840 -0.004 0.000 0.812 254 L CB 0.728 42.754 42.059 -0.055 0.000 1.264 254 L HN -0.355 7.761 8.230 0.010 0.120 0.439 255 P HA -0.034 nan 4.420 nan 0.000 0.271 255 P C -1.031 176.284 177.300 0.025 0.000 1.244 255 P CA -0.492 62.617 63.100 0.015 0.000 0.793 255 P CB 0.484 32.188 31.700 0.006 0.000 0.984 256 H N 1.212 120.261 119.070 -0.036 0.000 2.928 256 H HA -0.315 nan 4.556 nan 0.000 0.338 256 H C 0.255 175.556 175.328 -0.045 0.000 1.047 256 H CA 1.975 58.004 56.048 -0.032 0.000 1.435 256 H CB 0.576 30.329 29.762 -0.015 0.000 1.428 256 H HN 0.176 8.551 8.280 0.160 0.000 0.590 257 N N 5.160 123.545 118.700 -0.525 0.000 2.696 257 N HA -0.308 nan 4.740 nan 0.000 0.256 257 N C 0.038 175.395 175.510 -0.256 0.000 1.031 257 N CA 1.159 53.969 53.050 -0.401 0.000 0.730 257 N CB -1.086 37.168 38.487 -0.388 0.000 0.894 257 N HN 0.650 8.674 8.380 -0.593 0.000 0.544 258 S N -0.845 114.709 115.700 -0.243 0.000 2.470 258 S HA -0.061 nan 4.470 nan 0.000 0.225 258 S C -0.159 174.262 174.600 -0.299 0.000 1.006 258 S CA 2.063 60.128 58.200 -0.225 0.000 0.934 258 S CB 0.532 63.613 63.200 -0.199 0.000 0.778 258 S HN 0.208 8.370 8.310 -0.246 0.000 0.517 259 L N 1.051 122.033 121.223 -0.401 0.000 2.395 259 L HA -0.038 nan 4.340 nan 0.000 0.269 259 L C -1.149 175.339 176.870 -0.637 0.000 1.133 259 L CA -0.321 54.176 54.840 -0.572 0.000 0.812 259 L CB 0.431 41.998 42.059 -0.819 0.000 1.125 259 L HN -0.675 7.575 8.230 -0.384 -0.251 0.452 260 N N 1.967 120.297 118.700 -0.617 0.000 2.501 260 N HA 0.225 nan 4.740 nan 0.000 0.245 260 N C -1.351 173.853 175.510 -0.510 0.000 0.974 260 N CA -0.772 51.955 53.050 -0.539 0.000 0.941 260 N CB 0.792 38.972 38.487 -0.512 0.000 1.122 260 N HN 0.034 8.069 8.380 -0.576 0.000 0.507 261 F N 3.475 123.278 119.950 -0.244 0.000 2.378 261 F HA 0.572 nan 4.527 nan 0.000 0.325 261 F C -1.085 174.613 175.800 -0.170 0.000 1.097 261 F CA -0.874 57.012 58.000 -0.189 0.000 1.079 261 F CB 1.987 40.866 39.000 -0.202 0.000 1.240 261 F HN 0.570 8.726 8.300 -0.241 0.000 0.519 262 V N 0.488 120.501 119.914 0.165 0.000 2.604 262 V HA 0.541 nan 4.120 nan 0.000 0.305 262 V C -1.400 174.867 176.094 0.288 0.000 1.043 262 V CA -1.434 60.958 62.300 0.153 0.000 0.888 262 V CB 1.950 33.849 31.823 0.126 0.000 0.995 262 V HN 0.342 8.676 8.190 0.240 0.000 0.429 263 F N 7.661 127.723 119.950 0.186 0.000 2.385 263 F HA 0.441 nan 4.527 nan 0.000 0.360 263 F C -2.024 173.931 175.800 0.257 0.000 1.122 263 F CA -2.569 55.584 58.000 0.255 0.000 1.090 263 F CB 2.008 41.123 39.000 0.191 0.000 1.150 263 F HN 0.816 9.348 8.300 0.386 0.000 0.472 264 H N 6.698 126.054 119.070 0.476 0.000 2.529 264 H HA 0.145 nan 4.556 nan 0.000 0.348 264 H C -0.297 175.004 175.328 -0.044 0.000 1.152 264 H CA -1.064 54.989 56.048 0.009 0.000 1.202 264 H CB 3.209 32.740 29.762 -0.385 0.000 1.562 264 H HN 0.032 8.754 8.280 0.736 0.000 0.515 265 G N 2.436 111.174 108.800 -0.104 0.000 2.350 265 G HA2 -0.343 nan 3.960 nan 0.000 0.298 265 G HA3 -0.343 nan 3.960 nan 0.000 0.298 265 G C -0.224 174.682 174.900 0.010 0.000 1.037 265 G CA 0.276 45.374 45.100 -0.003 0.000 1.074 265 G HN 0.564 8.738 8.290 -0.192 0.000 0.511 266 G N -2.352 106.301 108.800 -0.245 0.000 3.337 266 G HA2 0.091 nan 3.960 nan 0.000 0.246 266 G HA3 0.091 nan 3.960 nan 0.000 0.246 266 G C 0.362 175.082 174.900 -0.299 0.000 1.131 266 G CA -1.072 43.695 45.100 -0.555 0.000 0.773 266 G HN -0.016 8.118 8.290 -0.260 0.000 0.544 267 S N 1.277 116.883 115.700 -0.156 0.000 2.399 267 S HA -0.294 nan 4.470 nan 0.000 0.231 267 S C 1.155 175.720 174.600 -0.057 0.000 1.022 267 S CA 2.049 60.193 58.200 -0.094 0.000 0.983 267 S CB -0.539 62.630 63.200 -0.052 0.000 0.803 267 S HN -0.067 8.048 8.310 -0.122 0.122 0.480 268 G N -0.090 108.689 108.800 -0.034 0.000 3.371 268 G HA2 0.237 nan 3.960 nan 0.000 0.248 268 G HA3 0.237 nan 3.960 nan 0.000 0.248 268 G C -0.581 174.324 174.900 0.008 0.000 1.161 268 G CA -0.672 44.423 45.100 -0.008 0.000 0.796 268 G HN 0.203 8.454 8.290 -0.030 0.021 0.539 269 S N 1.320 117.017 115.700 -0.005 0.000 2.585 269 S HA 0.268 nan 4.470 nan 0.000 0.277 269 S C -0.095 174.519 174.600 0.024 0.000 1.241 269 S CA -0.176 58.047 58.200 0.038 0.000 1.041 269 S CB 1.200 64.446 63.200 0.078 0.000 0.987 269 S HN -0.674 7.528 8.310 -0.053 0.076 0.512 270 T N -0.075 114.508 114.554 0.048 0.000 2.874 270 T HA 0.381 nan 4.350 nan 0.000 0.281 270 T C 0.630 175.354 174.700 0.041 0.000 0.994 270 T CA -1.762 60.360 62.100 0.037 0.000 1.015 270 T CB 2.116 71.008 68.868 0.039 0.000 1.028 270 T HN 0.210 8.837 8.240 0.070 -0.345 0.523 271 A N 0.869 123.707 122.820 0.030 0.000 1.940 271 A HA -0.358 nan 4.320 nan 0.000 0.219 271 A C 2.352 179.958 177.584 0.036 0.000 1.176 271 A CA 3.298 55.353 52.037 0.029 0.000 0.631 271 A CB -0.619 18.395 19.000 0.023 0.000 0.814 271 A HN 0.576 8.740 8.150 0.025 0.000 0.446 272 Q N -1.641 118.180 119.800 0.036 0.000 2.119 272 Q HA -0.240 nan 4.340 nan 0.000 0.201 272 Q C 2.369 178.396 176.000 0.044 0.000 0.972 272 Q CA 2.911 58.733 55.803 0.032 0.000 0.847 272 Q CB -0.627 28.129 28.738 0.029 0.000 0.903 272 Q HN 0.462 8.738 8.270 0.035 0.015 0.433 273 E N 0.552 120.799 120.200 0.078 0.000 2.106 273 E HA -0.290 nan 4.350 nan 0.000 0.192 273 E C 2.598 179.306 176.600 0.181 0.000 0.984 273 E CA 2.938 59.416 56.400 0.130 0.000 0.806 273 E CB -0.156 29.645 29.700 0.169 0.000 0.750 273 E HN -0.703 7.618 8.360 0.074 0.084 0.458 274 I N 0.178 120.847 120.570 0.165 0.000 2.252 274 I HA -0.506 nan 4.170 nan 0.000 0.245 274 I C 1.529 177.705 176.117 0.098 0.000 1.102 274 I CA 4.179 65.589 61.300 0.182 0.000 1.385 274 I CB -0.256 37.792 38.000 0.081 0.000 1.064 274 I HN -0.039 8.242 8.210 0.118 0.000 0.414 275 K N 0.267 120.693 120.400 0.042 0.000 2.032 275 K HA -0.469 nan 4.320 nan 0.000 0.209 275 K C 2.259 178.808 176.600 -0.085 0.000 1.048 275 K CA 4.147 60.431 56.287 -0.006 0.000 0.927 275 K CB -0.250 32.246 32.500 -0.006 0.000 0.712 275 K HN -0.011 8.268 8.250 0.048 0.000 0.441 276 D N -1.190 119.141 120.400 -0.116 0.000 2.117 276 D HA -0.163 nan 4.640 nan 0.000 0.197 276 D C 2.991 179.017 176.300 -0.457 0.000 0.987 276 D CA 3.074 56.878 54.000 -0.328 0.000 0.829 276 D CB -0.650 40.033 40.800 -0.196 0.000 0.961 276 D HN -0.056 8.287 8.370 -0.044 0.000 0.460 277 S N 1.498 117.115 115.700 -0.138 0.000 2.370 277 S HA -0.276 nan 4.470 nan 0.000 0.226 277 S C 2.389 176.939 174.600 -0.083 0.000 1.033 277 S CA 3.616 61.765 58.200 -0.086 0.000 1.011 277 S CB -0.039 63.207 63.200 0.076 0.000 0.852 277 S HN -0.150 8.155 8.310 -0.009 0.000 0.457 278 V N 0.766 120.655 119.914 -0.041 0.000 2.343 278 V HA -0.349 nan 4.120 nan 0.000 0.247 278 V C 2.079 178.124 176.094 -0.083 0.000 1.051 278 V CA 3.970 66.253 62.300 -0.028 0.000 1.036 278 V CB -1.054 30.774 31.823 0.008 0.000 0.654 278 V HN 0.186 8.372 8.190 -0.007 0.000 0.451 279 S N 1.451 117.037 115.700 -0.191 0.000 2.442 279 S HA -0.221 nan 4.470 nan 0.000 0.236 279 S C 0.610 175.153 174.600 -0.094 0.000 1.007 279 S CA 3.403 61.487 58.200 -0.193 0.000 0.965 279 S CB -0.205 62.810 63.200 -0.309 0.000 0.773 279 S HN -0.134 7.953 8.310 -0.240 0.079 0.504 280 Y N -0.348 119.932 120.300 -0.034 0.000 2.493 280 Y HA 0.080 nan 4.550 nan 0.000 0.275 280 Y C -0.271 175.617 175.900 -0.019 0.000 1.183 280 Y CA -1.968 56.098 58.100 -0.056 0.000 1.258 280 Y CB -0.504 37.887 38.460 -0.115 0.000 1.108 280 Y HN -0.764 7.216 8.280 -0.250 0.150 0.521 281 G N -3.270 105.579 108.800 0.083 0.000 2.168 281 G HA2 -0.290 nan 3.960 nan 0.000 0.197 281 G HA3 -0.290 nan 3.960 nan 0.000 0.197 281 G C -1.358 173.561 174.900 0.031 0.000 0.997 281 G CA -0.160 44.957 45.100 0.029 0.000 0.658 281 G HN -0.438 7.696 8.290 0.027 0.172 0.513 282 V N 1.767 121.709 119.914 0.046 0.000 2.521 282 V HA 0.040 nan 4.120 nan 0.000 0.286 282 V C 0.405 176.470 176.094 -0.048 0.000 1.034 282 V CA 1.937 64.258 62.300 0.036 0.000 1.045 282 V CB -0.300 31.574 31.823 0.085 0.000 0.974 282 V HN -0.611 7.601 8.190 0.037 0.000 0.480 283 V N 0.447 120.271 119.914 -0.149 0.000 3.556 283 V HA 0.481 nan 4.120 nan 0.000 0.287 283 V C -1.348 174.667 176.094 -0.132 0.000 1.422 283 V CA -0.461 61.707 62.300 -0.220 0.000 1.038 283 V CB 1.211 32.713 31.823 -0.534 0.000 0.850 283 V HN 0.822 8.908 8.190 -0.173 0.000 0.437 284 K N 0.214 120.562 120.400 -0.087 0.000 2.553 284 K HA 0.585 nan 4.320 nan 0.000 0.250 284 K C -3.139 173.494 176.600 0.054 0.000 0.953 284 K CA -0.532 55.745 56.287 -0.017 0.000 0.800 284 K CB 3.736 36.193 32.500 -0.073 0.000 1.243 284 K HN -0.797 7.414 8.250 -0.064 0.000 0.435 285 M N 6.612 126.222 119.600 0.017 0.000 2.190 285 M HA 0.370 nan 4.480 nan 0.000 0.312 285 M C -2.276 173.979 176.300 -0.076 0.000 0.990 285 M CA -1.037 54.260 55.300 -0.005 0.000 0.927 285 M CB 3.752 36.300 32.600 -0.086 0.000 1.571 285 M HN 0.775 9.054 8.290 -0.018 0.000 0.427 286 N N 6.693 125.343 118.700 -0.083 0.000 2.497 286 N HA 0.414 nan 4.740 nan 0.000 0.271 286 N C -1.057 174.369 175.510 -0.140 0.000 1.142 286 N CA 1.117 54.087 53.050 -0.133 0.000 0.965 286 N CB 1.270 39.598 38.487 -0.264 0.000 1.077 286 N HN 0.158 8.518 8.380 -0.033 0.000 0.462 287 I N 3.347 123.856 120.570 -0.101 0.000 2.533 287 I HA 0.208 nan 4.170 nan 0.000 0.290 287 I C -1.999 174.097 176.117 -0.035 0.000 1.056 287 I CA -0.602 60.651 61.300 -0.079 0.000 1.057 287 I CB 2.972 40.922 38.000 -0.083 0.000 1.240 287 I HN 0.687 8.849 8.210 -0.081 0.000 0.423 288 D N 4.849 125.240 120.400 -0.015 0.000 2.630 288 D HA -0.018 nan 4.640 nan 0.000 0.137 288 D C 0.822 177.144 176.300 0.037 0.000 1.483 288 D CA 2.397 56.406 54.000 0.015 0.000 1.490 288 D CB 0.715 41.524 40.800 0.015 0.000 1.894 288 D HN 0.233 8.589 8.370 -0.023 0.000 0.269 289 T N -1.358 113.217 114.554 0.034 0.000 2.699 289 T HA -0.265 nan 4.350 nan 0.000 0.268 289 T C 1.620 176.393 174.700 0.121 0.000 1.036 289 T CA 4.252 66.391 62.100 0.066 0.000 1.147 289 T CB -0.822 68.072 68.868 0.042 0.000 0.862 289 T HN -0.045 8.204 8.240 0.015 0.000 0.446 290 D N 0.349 120.807 120.400 0.097 0.000 2.178 290 D HA -0.127 nan 4.640 nan 0.000 0.202 290 D C 2.461 178.860 176.300 0.165 0.000 0.974 290 D CA 3.632 57.721 54.000 0.147 0.000 0.841 290 D CB -0.493 40.357 40.800 0.084 0.000 0.953 290 D HN 0.625 9.016 8.370 0.052 0.010 0.478 291 T N -1.173 113.442 114.554 0.102 0.000 3.014 291 T HA -0.063 nan 4.350 nan 0.000 0.263 291 T C 2.145 176.895 174.700 0.084 0.000 1.078 291 T CA 3.152 65.301 62.100 0.081 0.000 1.135 291 T CB -0.506 68.395 68.868 0.054 0.000 0.895 291 T HN -0.458 7.734 8.240 0.076 0.094 0.480 292 Q N 2.739 122.603 119.800 0.107 0.000 2.020 292 Q HA -0.324 nan 4.340 nan 0.000 0.202 292 Q C 1.703 177.796 176.000 0.154 0.000 0.982 292 Q CA 3.279 59.148 55.803 0.110 0.000 0.838 292 Q CB -0.165 28.634 28.738 0.103 0.000 0.899 292 Q HN 0.032 8.266 8.270 0.106 0.100 0.423 293 W N -0.050 121.309 121.300 0.098 0.000 2.355 293 W HA -0.430 nan 4.660 nan 0.000 0.309 293 W C 1.092 177.706 176.519 0.159 0.000 1.206 293 W CA 2.836 60.268 57.345 0.146 0.000 1.284 293 W CB 0.294 29.815 29.460 0.102 0.000 1.145 293 W HN 0.250 8.634 8.180 0.341 0.000 0.502 294 A N -1.936 120.786 122.820 -0.164 0.000 1.908 294 A HA -0.474 nan 4.320 nan 0.000 0.218 294 A C 2.092 179.532 177.584 -0.239 0.000 1.181 294 A CA 3.351 55.252 52.037 -0.227 0.000 0.627 294 A CB -0.907 18.086 19.000 -0.011 0.000 0.818 294 A HN -0.177 8.038 8.150 0.108 0.000 0.445 295 T N 1.607 116.094 114.554 -0.111 0.000 2.652 295 T HA -0.301 nan 4.350 nan 0.000 0.267 295 T C 1.426 176.062 174.700 -0.106 0.000 1.039 295 T CA 4.890 66.955 62.100 -0.058 0.000 1.153 295 T CB -0.453 68.433 68.868 0.030 0.000 0.863 295 T HN -0.238 7.976 8.240 -0.044 0.000 0.428 296 W N 1.533 122.671 121.300 -0.269 0.000 2.358 296 W HA -0.460 nan 4.660 nan 0.000 0.303 296 W C 0.968 177.240 176.519 -0.411 0.000 1.208 296 W CA 2.610 59.778 57.345 -0.295 0.000 1.274 296 W CB 0.169 29.449 29.460 -0.299 0.000 1.138 296 W HN -0.359 7.830 8.180 0.015 0.000 0.515 297 E N -0.396 119.217 120.200 -0.979 0.000 2.130 297 E HA -0.465 nan 4.350 nan 0.000 0.196 297 E C 2.373 178.650 176.600 -0.539 0.000 0.998 297 E CA 3.531 59.396 56.400 -0.892 0.000 0.806 297 E CB -0.399 28.831 29.700 -0.783 0.000 0.738 297 E HN 0.330 8.108 8.360 -0.971 0.000 0.459 298 G N -1.998 106.567 108.800 -0.391 0.000 2.408 298 G HA2 -0.241 nan 3.960 nan 0.000 0.217 298 G HA3 -0.241 nan 3.960 nan 0.000 0.217 298 G C 1.514 176.299 174.900 -0.193 0.000 1.150 298 G CA 2.034 47.008 45.100 -0.210 0.000 0.776 298 G HN -0.328 7.716 8.290 -0.387 0.013 0.542 299 V N 3.860 123.569 119.914 -0.342 0.000 2.379 299 V HA -0.253 nan 4.120 nan 0.000 0.245 299 V C 1.704 177.544 176.094 -0.424 0.000 1.044 299 V CA 2.727 64.851 62.300 -0.293 0.000 1.036 299 V CB -0.450 31.169 31.823 -0.340 0.000 0.664 299 V HN -0.764 7.074 8.190 -0.439 0.089 0.453 300 L N -0.326 120.363 121.223 -0.891 0.000 1.989 300 L HA -0.491 nan 4.340 nan 0.000 0.211 300 L C 1.473 178.245 176.870 -0.163 0.000 1.071 300 L CA 3.881 58.358 54.840 -0.605 0.000 0.749 300 L CB -0.247 41.396 42.059 -0.692 0.000 0.890 300 L HN 0.383 7.839 8.230 -1.289 0.000 0.431 301 N N -1.615 116.990 118.700 -0.157 0.000 2.166 301 N HA -0.420 nan 4.740 nan 0.000 0.186 301 N C 2.223 177.738 175.510 0.009 0.000 1.019 301 N CA 3.176 56.200 53.050 -0.044 0.000 0.856 301 N CB 0.007 38.471 38.487 -0.039 0.000 0.993 301 N HN -0.007 8.214 8.380 -0.264 0.000 0.426 302 Y N 1.734 121.995 120.300 -0.065 0.000 2.200 302 Y HA -0.479 nan 4.550 nan 0.000 0.290 302 Y C 1.390 177.299 175.900 0.015 0.000 1.137 302 Y CA 3.480 61.577 58.100 -0.005 0.000 1.163 302 Y CB 0.160 38.646 38.460 0.043 0.000 0.988 302 Y HN -0.386 7.869 8.280 0.106 0.089 0.518 303 Y N -0.921 119.333 120.300 -0.076 0.000 2.145 303 Y HA -0.519 nan 4.550 nan 0.000 0.286 303 Y C 2.465 178.282 175.900 -0.139 0.000 1.145 303 Y CA 3.673 61.698 58.100 -0.125 0.000 1.148 303 Y CB 0.098 38.510 38.460 -0.081 0.000 0.981 303 Y HN 0.159 8.489 8.280 0.208 0.076 0.507 304 K N -1.725 118.595 120.400 -0.133 0.000 2.147 304 K HA -0.368 nan 4.320 nan 0.000 0.205 304 K C 2.279 178.742 176.600 -0.228 0.000 1.049 304 K CA 2.933 59.109 56.287 -0.184 0.000 0.936 304 K CB -0.201 32.279 32.500 -0.034 0.000 0.722 304 K HN 0.039 8.310 8.250 0.035 0.000 0.446 305 A N -3.029 119.653 122.820 -0.230 0.000 2.169 305 A HA 0.007 nan 4.320 nan 0.000 0.212 305 A C 0.091 177.489 177.584 -0.309 0.000 1.153 305 A CA 1.812 53.712 52.037 -0.227 0.000 0.756 305 A CB -0.072 18.815 19.000 -0.188 0.000 0.813 305 A HN -0.280 7.642 8.150 -0.209 0.103 0.471 306 N N -3.438 115.012 118.700 -0.417 0.000 2.377 306 N HA 0.256 nan 4.740 nan 0.000 0.259 306 N C -0.340 174.998 175.510 -0.286 0.000 1.332 306 N CA -0.207 52.617 53.050 -0.377 0.000 0.877 306 N CB 1.090 39.221 38.487 -0.593 0.000 1.299 306 N HN -0.453 7.473 8.380 -0.462 0.176 0.501 307 E N 2.950 122.890 120.200 -0.433 0.000 2.086 307 E HA -0.365 nan 4.350 nan 0.000 0.200 307 E C 0.563 176.999 176.600 -0.273 0.000 1.012 307 E CA 4.024 60.083 56.400 -0.569 0.000 0.812 307 E CB -0.183 29.184 29.700 -0.556 0.000 0.743 307 E HN -0.448 7.661 8.360 -0.418 0.000 0.453 308 A N -3.198 119.495 122.820 -0.212 0.000 2.239 308 A HA -0.085 nan 4.320 nan 0.000 0.209 308 A C 0.772 178.090 177.584 -0.443 0.000 1.171 308 A CA 1.499 53.354 52.037 -0.303 0.000 0.768 308 A CB -0.385 18.387 19.000 -0.379 0.000 0.790 308 A HN 0.211 8.258 8.150 -0.173 0.000 0.478 309 Y N -6.079 114.096 120.300 -0.208 0.000 2.531 309 Y HA 0.097 nan 4.550 nan 0.000 0.249 309 Y C -0.622 175.293 175.900 0.024 0.000 1.168 309 Y CA -0.174 57.825 58.100 -0.169 0.000 1.226 309 Y CB 0.797 38.926 38.460 -0.550 0.000 1.177 309 Y HN -0.488 7.598 8.280 0.001 0.194 0.527 310 L N -3.048 118.252 121.223 0.128 0.000 3.229 310 L HA 0.146 nan 4.340 nan 0.000 0.286 310 L C 0.690 177.656 176.870 0.161 0.000 1.239 310 L CA -0.449 54.516 54.840 0.208 0.000 1.035 310 L CB 0.236 42.437 42.059 0.236 0.000 1.408 310 L HN -0.762 7.319 8.230 0.020 0.161 0.593 311 Q N -2.032 117.824 119.800 0.092 0.000 2.354 311 Q HA -0.002 nan 4.340 nan 0.000 0.203 311 Q C 0.168 176.192 176.000 0.040 0.000 0.933 311 Q CA 0.622 56.464 55.803 0.065 0.000 0.901 311 Q CB 0.554 29.307 28.738 0.025 0.000 1.007 311 Q HN 0.074 8.379 8.270 0.059 0.000 0.495 312 G N -2.449 106.381 108.800 0.050 0.000 2.600 312 G HA2 0.056 nan 3.960 nan 0.000 0.293 312 G HA3 0.056 nan 3.960 nan 0.000 0.293 312 G C -1.676 173.261 174.900 0.061 0.000 1.408 312 G CA -0.028 45.086 45.100 0.022 0.000 0.782 312 G HN -0.795 7.545 8.290 0.085 0.000 0.482 313 Q N -1.428 118.388 119.800 0.026 0.000 2.224 313 Q HA -0.127 nan 4.340 nan 0.000 0.203 313 Q C -0.511 175.627 176.000 0.229 0.000 0.970 313 Q CA 1.829 57.715 55.803 0.138 0.000 0.865 313 Q CB 0.350 29.131 28.738 0.072 0.000 0.922 313 Q HN 0.052 8.315 8.270 -0.012 0.000 0.445 314 L N -3.475 117.827 121.223 0.132 0.000 2.371 314 L HA 0.467 nan 4.340 nan 0.000 0.262 314 L C -1.157 175.754 176.870 0.067 0.000 1.006 314 L CA -1.285 53.622 54.840 0.111 0.000 0.818 314 L CB 3.433 45.539 42.059 0.079 0.000 1.354 314 L HN -0.746 7.509 8.230 0.089 0.028 0.415 315 G N 2.534 111.364 108.800 0.049 0.000 3.434 315 G HA2 -0.308 nan 3.960 nan 0.000 0.686 315 G HA3 -0.308 nan 3.960 nan 0.000 0.686 315 G C -2.674 172.185 174.900 -0.068 0.000 1.099 315 G CA -0.194 44.902 45.100 -0.006 0.000 0.931 315 G HN 0.757 8.980 8.290 0.069 0.108 0.520 316 N N 1.620 120.242 118.700 -0.131 0.000 3.020 316 N HA 0.355 nan 4.740 nan 0.000 0.248 316 N C -1.762 173.567 175.510 -0.303 0.000 1.480 316 N CA -1.445 51.394 53.050 -0.353 0.000 0.874 316 N CB -0.371 37.829 38.487 -0.479 0.000 1.433 316 N HN -0.411 7.919 8.380 -0.083 0.000 0.530 317 P HA -0.258 nan 4.420 nan 0.000 0.218 317 P C -0.198 177.051 177.300 -0.085 0.000 1.146 317 P CA 2.455 65.427 63.100 -0.214 0.000 0.820 317 P CB 0.176 31.755 31.700 -0.202 0.000 0.778 318 K N -3.651 116.724 120.400 -0.042 0.000 2.228 318 K HA -0.044 nan 4.320 nan 0.000 0.202 318 K C -0.035 176.570 176.600 0.010 0.000 1.051 318 K CA 0.400 56.702 56.287 0.024 0.000 0.960 318 K CB 1.295 33.850 32.500 0.092 0.000 0.743 318 K HN 0.009 8.462 8.250 -0.077 -0.249 0.458 319 G N -2.494 106.301 108.800 -0.009 0.000 2.443 319 G HA2 -0.027 nan 3.960 nan 0.000 0.303 319 G HA3 -0.027 nan 3.960 nan 0.000 0.303 319 G C -0.734 174.161 174.900 -0.009 0.000 1.613 319 G CA -0.015 45.083 45.100 -0.003 0.000 0.879 319 G HN -0.568 7.724 8.290 -0.035 -0.023 0.632 320 E N 1.227 121.421 120.200 -0.010 0.000 2.331 320 E HA -0.229 nan 4.350 nan 0.000 0.199 320 E C -0.418 176.188 176.600 0.009 0.000 1.008 320 E CA 2.462 58.857 56.400 -0.009 0.000 0.843 320 E CB -0.148 29.547 29.700 -0.007 0.000 0.761 320 E HN 0.526 8.880 8.360 -0.009 0.000 0.507 321 D N -5.986 114.425 120.400 0.019 0.000 2.469 321 D HA 0.038 nan 4.640 nan 0.000 0.215 321 D C -0.385 175.945 176.300 0.050 0.000 1.154 321 D CA -0.560 53.459 54.000 0.033 0.000 0.832 321 D CB -0.472 40.345 40.800 0.028 0.000 1.008 321 D HN -0.385 7.936 8.370 0.017 0.060 0.506 322 Q N 1.309 121.142 119.800 0.055 0.000 2.332 322 Q HA 0.317 nan 4.340 nan 0.000 0.263 322 Q C -1.980 174.090 176.000 0.117 0.000 0.979 322 Q CA -1.663 54.190 55.803 0.083 0.000 0.885 322 Q CB -0.795 27.998 28.738 0.093 0.000 1.218 322 Q HN -0.462 7.719 8.270 0.040 0.113 0.405 323 P HA 0.130 nan 4.420 nan 0.000 0.275 323 P C -1.010 176.419 177.300 0.215 0.000 1.227 323 P CA -0.032 63.162 63.100 0.156 0.000 0.781 323 P CB 0.476 32.237 31.700 0.102 0.000 0.906 324 N N 1.618 120.494 118.700 0.294 0.000 2.214 324 N HA 0.074 nan 4.740 nan 0.000 0.214 324 N C 1.013 176.502 175.510 -0.034 0.000 1.132 324 N CA -0.093 53.192 53.050 0.392 0.000 0.856 324 N CB 0.642 39.453 38.487 0.540 0.000 1.020 324 N HN 0.533 9.125 8.380 0.353 0.000 0.509 325 K N 1.872 122.072 120.400 -0.334 0.000 2.107 325 K HA -0.409 nan 4.320 nan 0.000 0.211 325 K C 1.091 177.287 176.600 -0.674 0.000 1.049 325 K CA 3.240 58.997 56.287 -0.884 0.000 0.927 325 K CB -0.433 31.878 32.500 -0.315 0.000 0.714 325 K HN 0.118 8.270 8.250 -0.037 0.076 0.452 326 K N -2.805 117.320 120.400 -0.458 0.000 2.209 326 K HA -0.245 nan 4.320 nan 0.000 0.204 326 K C 1.751 178.045 176.600 -0.509 0.000 1.048 326 K CA 2.463 58.441 56.287 -0.515 0.000 0.940 326 K CB -0.312 31.780 32.500 -0.681 0.000 0.729 326 K HN -0.156 7.865 8.250 -0.361 0.012 0.451 327 Y N -4.571 115.716 120.300 -0.023 0.000 2.436 327 Y HA -0.137 nan 4.550 nan 0.000 0.288 327 Y C 2.070 178.197 175.900 0.378 0.000 1.112 327 Y CA 2.144 60.359 58.100 0.193 0.000 1.220 327 Y CB 0.866 39.435 38.460 0.181 0.000 1.073 327 Y HN -0.317 7.647 8.280 -0.279 0.149 0.552 328 Y N -3.485 117.081 120.300 0.444 0.000 2.490 328 Y HA 0.047 nan 4.550 nan 0.000 0.281 328 Y C -0.422 175.795 175.900 0.528 0.000 1.174 328 Y CA -2.204 56.186 58.100 0.483 0.000 1.295 328 Y CB -0.722 37.940 38.460 0.336 0.000 1.062 328 Y HN -0.391 7.850 8.280 -0.064 0.000 0.522 329 D N 3.774 124.319 120.400 0.242 0.000 2.502 329 D HA -0.020 nan 4.640 nan 0.000 0.249 329 D C -0.779 175.485 176.300 -0.060 0.000 1.188 329 D CA -1.153 52.902 54.000 0.092 0.000 0.890 329 D CB 0.329 41.082 40.800 -0.077 0.000 1.140 329 D HN -0.764 7.552 8.370 0.010 0.059 0.505 330 P HA -0.303 nan 4.420 nan 0.000 0.217 330 P C 1.176 177.950 177.300 -0.877 0.000 1.151 330 P CA 2.413 64.939 63.100 -0.957 0.000 0.849 330 P CB 0.188 31.582 31.700 -0.509 0.000 0.787 331 R N -3.362 116.875 120.500 -0.437 0.000 2.127 331 R HA -0.306 nan 4.340 nan 0.000 0.238 331 R C 2.797 178.914 176.300 -0.306 0.000 1.134 331 R CA 3.286 59.198 56.100 -0.314 0.000 0.975 331 R CB -0.357 29.831 30.300 -0.186 0.000 0.865 331 R HN -0.391 7.912 8.270 -0.309 -0.219 0.447 332 V N -0.490 119.241 119.914 -0.304 0.000 2.283 332 V HA -0.237 nan 4.120 nan 0.000 0.243 332 V C 1.881 177.727 176.094 -0.413 0.000 1.039 332 V CA 3.999 66.143 62.300 -0.260 0.000 1.016 332 V CB -0.783 30.970 31.823 -0.117 0.000 0.650 332 V HN -0.041 7.846 8.190 -0.294 0.126 0.449 333 W N -2.544 118.456 121.300 -0.500 0.000 2.467 333 W HA -0.215 nan 4.660 nan 0.000 0.275 333 W C 1.903 178.259 176.519 -0.271 0.000 1.239 333 W CA 1.567 58.560 57.345 -0.587 0.000 1.266 333 W CB -0.849 28.391 29.460 -0.366 0.000 1.112 333 W HN -0.776 7.144 8.180 -0.434 0.000 0.576 334 L N 0.834 121.841 121.223 -0.361 0.000 2.093 334 L HA -0.428 nan 4.340 nan 0.000 0.208 334 L C 2.305 179.092 176.870 -0.138 0.000 1.085 334 L CA 2.867 57.563 54.840 -0.239 0.000 0.755 334 L CB -0.589 41.238 42.059 -0.386 0.000 0.904 334 L HN 0.360 8.157 8.230 -0.722 0.000 0.435 335 R N -0.522 119.876 120.500 -0.171 0.000 2.115 335 R HA -0.302 nan 4.340 nan 0.000 0.230 335 R C 1.711 177.965 176.300 -0.076 0.000 1.111 335 R CA 2.260 58.297 56.100 -0.105 0.000 0.976 335 R CB -1.003 29.233 30.300 -0.107 0.000 0.870 335 R HN -0.447 7.678 8.270 -0.242 0.000 0.445 336 A N -2.482 120.275 122.820 -0.105 0.000 1.930 336 A HA -0.120 nan 4.320 nan 0.000 0.217 336 A C 2.141 179.698 177.584 -0.044 0.000 1.175 336 A CA 3.005 55.006 52.037 -0.060 0.000 0.627 336 A CB -0.943 18.015 19.000 -0.070 0.000 0.815 336 A HN -0.346 7.618 8.150 -0.169 0.084 0.443 337 G N -2.409 106.369 108.800 -0.037 0.000 2.408 337 G HA2 -0.362 nan 3.960 nan 0.000 0.217 337 G HA3 -0.362 nan 3.960 nan 0.000 0.217 337 G C 1.474 176.361 174.900 -0.022 0.000 1.150 337 G CA 1.630 46.712 45.100 -0.031 0.000 0.776 337 G HN -0.363 7.806 8.290 -0.033 0.101 0.542 338 Q N 1.141 120.932 119.800 -0.015 0.000 2.050 338 Q HA -0.355 nan 4.340 nan 0.000 0.202 338 Q C 2.753 178.755 176.000 0.003 0.000 0.980 338 Q CA 3.559 59.363 55.803 0.001 0.000 0.840 338 Q CB 0.081 28.821 28.738 0.004 0.000 0.898 338 Q HN -0.241 7.927 8.270 -0.026 0.087 0.424 339 T N -2.346 112.205 114.554 -0.004 0.000 2.833 339 T HA -0.275 nan 4.350 nan 0.000 0.269 339 T C 2.247 176.948 174.700 0.001 0.000 1.054 339 T CA 4.224 66.326 62.100 0.003 0.000 1.135 339 T CB -0.812 68.058 68.868 0.002 0.000 0.869 339 T HN 0.093 8.325 8.240 -0.013 0.000 0.466 340 S N 2.738 118.428 115.700 -0.016 0.000 2.371 340 S HA -0.226 nan 4.470 nan 0.000 0.224 340 S C 1.534 176.127 174.600 -0.011 0.000 1.029 340 S CA 3.190 61.373 58.200 -0.028 0.000 0.978 340 S CB -0.141 63.010 63.200 -0.082 0.000 0.833 340 S HN -0.457 7.824 8.310 -0.026 0.013 0.466 341 M N 2.863 122.459 119.600 -0.007 0.000 2.175 341 M HA -0.324 nan 4.480 nan 0.000 0.264 341 M C 1.826 178.151 176.300 0.042 0.000 1.063 341 M CA 3.824 59.135 55.300 0.018 0.000 1.119 341 M CB -0.013 32.600 32.600 0.023 0.000 1.377 341 M HN -0.514 7.767 8.290 -0.015 0.000 0.415 342 I N -0.713 119.879 120.570 0.038 0.000 2.226 342 I HA -0.571 nan 4.170 nan 0.000 0.245 342 I C 1.387 177.536 176.117 0.054 0.000 1.100 342 I CA 3.882 65.211 61.300 0.048 0.000 1.374 342 I CB -0.459 37.560 38.000 0.033 0.000 1.057 342 I HN 0.218 8.443 8.210 0.026 0.000 0.413 343 A N -0.857 121.988 122.820 0.041 0.000 1.902 343 A HA -0.317 nan 4.320 nan 0.000 0.217 343 A C 1.907 179.528 177.584 0.062 0.000 1.181 343 A CA 3.262 55.326 52.037 0.044 0.000 0.623 343 A CB -0.915 18.105 19.000 0.034 0.000 0.818 343 A HN -0.104 8.064 8.150 0.030 0.000 0.443 344 R N -1.230 119.309 120.500 0.065 0.000 2.075 344 R HA -0.217 nan 4.340 nan 0.000 0.232 344 R C 2.218 178.571 176.300 0.087 0.000 1.126 344 R CA 1.816 57.962 56.100 0.078 0.000 0.963 344 R CB -0.368 29.982 30.300 0.083 0.000 0.858 344 R HN -0.498 7.804 8.270 0.053 0.000 0.435 345 L N -0.655 120.630 121.223 0.104 0.000 2.141 345 L HA -0.282 nan 4.340 nan 0.000 0.209 345 L C 1.638 178.671 176.870 0.271 0.000 1.094 345 L CA 2.907 57.839 54.840 0.153 0.000 0.763 345 L CB -0.335 41.837 42.059 0.187 0.000 0.908 345 L HN 0.192 8.478 8.230 0.092 0.000 0.437 346 E N -1.099 119.225 120.200 0.205 0.000 2.085 346 E HA -0.449 nan 4.350 nan 0.000 0.194 346 E C 2.431 179.139 176.600 0.180 0.000 0.994 346 E CA 3.771 60.285 56.400 0.189 0.000 0.801 346 E CB -0.539 29.205 29.700 0.074 0.000 0.743 346 E HN -0.022 8.409 8.360 0.140 0.013 0.453 347 K N -1.817 118.654 120.400 0.118 0.000 2.097 347 K HA -0.265 nan 4.320 nan 0.000 0.206 347 K C 2.101 178.745 176.600 0.073 0.000 1.049 347 K CA 2.883 59.220 56.287 0.083 0.000 0.933 347 K CB -0.521 32.016 32.500 0.062 0.000 0.717 347 K HN -0.692 7.618 8.250 0.105 0.003 0.442 348 A N -0.401 122.455 122.820 0.059 0.000 1.877 348 A HA -0.197 nan 4.320 nan 0.000 0.216 348 A C 2.299 179.859 177.584 -0.040 0.000 1.186 348 A CA 2.975 54.994 52.037 -0.031 0.000 0.620 348 A CB -0.949 17.984 19.000 -0.110 0.000 0.822 348 A HN -0.635 7.453 8.150 0.084 0.113 0.443 349 F N -1.941 118.003 119.950 -0.009 0.000 2.126 349 F HA -0.483 nan 4.527 nan 0.000 0.299 349 F C 2.197 177.984 175.800 -0.021 0.000 1.096 349 F CA 4.636 62.624 58.000 -0.020 0.000 1.255 349 F CB -0.214 38.762 39.000 -0.040 0.000 0.997 349 F HN -0.237 8.216 8.300 0.255 0.000 0.479 350 Q N -2.033 117.872 119.800 0.175 0.000 2.084 350 Q HA -0.352 nan 4.340 nan 0.000 0.202 350 Q C 3.227 179.265 176.000 0.065 0.000 0.978 350 Q CA 3.335 59.194 55.803 0.093 0.000 0.844 350 Q CB -0.302 28.477 28.738 0.069 0.000 0.898 350 Q HN 0.012 8.329 8.270 0.197 0.071 0.426 351 E N 0.240 120.470 120.200 0.049 0.000 2.204 351 E HA -0.244 nan 4.350 nan 0.000 0.194 351 E C 1.556 178.177 176.600 0.036 0.000 0.989 351 E CA 2.400 58.819 56.400 0.031 0.000 0.824 351 E CB -0.053 29.653 29.700 0.010 0.000 0.756 351 E HN -0.277 8.113 8.360 0.051 0.000 0.477 352 L N -4.097 117.150 121.223 0.039 0.000 2.611 352 L HA 0.141 nan 4.340 nan 0.000 0.229 352 L C -0.722 176.226 176.870 0.129 0.000 1.137 352 L CA -0.712 54.167 54.840 0.066 0.000 0.901 352 L CB -0.256 41.819 42.059 0.028 0.000 1.098 352 L HN -0.423 7.709 8.230 0.032 0.118 0.456 353 N N -1.570 117.191 118.700 0.102 0.000 2.753 353 N HA -0.379 nan 4.740 nan 0.000 0.251 353 N C -0.854 174.687 175.510 0.053 0.000 1.097 353 N CA 1.233 54.343 53.050 0.100 0.000 0.786 353 N CB -0.627 37.941 38.487 0.136 0.000 1.137 353 N HN -0.301 7.926 8.380 0.079 0.200 0.566 354 A N -0.874 121.964 122.820 0.030 0.000 3.126 354 A HA 0.159 nan 4.320 nan 0.000 0.268 354 A C -1.310 176.204 177.584 -0.115 0.000 1.605 354 A CA -0.822 51.100 52.037 -0.192 0.000 1.305 354 A CB -0.550 18.480 19.000 0.049 0.000 1.160 354 A HN -0.167 7.998 8.150 0.102 0.046 0.609 355 I N 1.520 121.982 120.570 -0.180 0.000 2.499 355 I HA 0.047 nan 4.170 nan 0.000 0.288 355 I C -0.720 175.294 176.117 -0.171 0.000 1.048 355 I CA -1.448 59.765 61.300 -0.145 0.000 1.062 355 I CB 1.365 39.324 38.000 -0.068 0.000 1.238 355 I HN -0.546 7.497 8.210 -0.206 0.044 0.426 356 D N 6.107 126.398 120.400 -0.182 0.000 2.705 356 D HA -0.255 nan 4.640 nan 0.000 0.240 356 D C 0.096 176.296 176.300 -0.167 0.000 1.137 356 D CA 1.613 55.524 54.000 -0.149 0.000 0.677 356 D CB -0.319 40.426 40.800 -0.091 0.000 1.049 356 D HN 0.422 8.671 8.370 -0.202 0.000 0.427 357 V N -8.779 110.980 119.914 -0.258 0.000 3.276 357 V HA 0.370 nan 4.120 nan 0.000 0.319 357 V C -0.895 175.072 176.094 -0.213 0.000 1.427 357 V CA -0.886 61.261 62.300 -0.255 0.000 1.102 357 V CB -0.304 31.167 31.823 -0.586 0.000 1.020 357 V HN 0.035 8.047 8.190 -0.296 0.000 0.456 358 L N 0.000 121.055 121.223 -0.280 0.000 2.949 358 L HA 0.000 nan 4.340 nan 0.000 0.249 358 L CA 0.000 54.551 54.840 -0.482 0.000 0.813 358 L CB 0.000 41.593 42.059 -0.777 0.000 0.961 358 L HN 0.000 8.021 8.230 -0.246 0.061 0.502