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 1y3a_1_C DATA FIRST_RESID 34 DATA SEQUENCE VKLLLLGAGE SGKSTIVKQM KIIHEAGYSE EECKQYKAVV YSNTIQSIIA DATA SEQUENCE IIRAMGRLKI DFGDSARADD ARQLFVLAXX XXXXXMTAEL AGVIKRLWKD DATA SEQUENCE SGVQACFNRS REYQLNDSAA YYLNDLDRIA QPNYIPTQQD VLRTRVKTTG DATA SEQUENCE IVETHFTFKD LHFKMFDVGG QRSERKKWIH CFEGVTAIIF CVALSDYDLV DATA SEQUENCE XXXXXXMNRM HESMKLFDSI CNNKWFTDTS IILFLNKKDL FEEKIKKSPL DATA SEQUENCE TICYPEYAGS NTYEEAAAYI QCQFEDLNKR KDTKEIYTHF TCATDTKNVQ DATA SEQUENCE FVFDAVTDVI I 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 34 V HA 0.000 nan 4.120 nan 0.000 0.244 34 V C 0.000 176.017 176.094 -0.128 0.000 1.182 34 V CA 0.000 62.123 62.300 -0.294 0.000 1.235 34 V CB 0.000 31.443 31.823 -0.633 0.000 1.184 35 K N 3.782 124.185 120.400 0.005 0.000 2.211 35 K HA 0.786 5.106 4.320 -0.000 0.000 0.275 35 K C -1.665 175.028 176.600 0.156 0.000 1.024 35 K CA -0.630 55.730 56.287 0.122 0.000 0.887 35 K CB 1.191 33.788 32.500 0.161 0.000 1.084 35 K HN 0.491 nan 8.250 nan 0.000 0.463 36 L N 5.040 126.387 121.223 0.207 0.000 2.381 36 L HA 0.395 4.735 4.340 -0.000 0.000 0.274 36 L C -1.128 175.866 176.870 0.205 0.000 0.988 36 L CA -0.685 54.277 54.840 0.203 0.000 0.824 36 L CB 1.500 43.719 42.059 0.267 0.000 1.263 36 L HN 0.564 nan 8.230 nan 0.000 0.410 37 L N 3.912 125.221 121.223 0.144 0.000 2.309 37 L HA 0.536 4.876 4.340 -0.000 0.000 0.282 37 L C -0.754 176.168 176.870 0.086 0.000 1.036 37 L CA -0.331 54.582 54.840 0.121 0.000 0.806 37 L CB 1.543 43.625 42.059 0.037 0.000 1.220 37 L HN 0.387 nan 8.230 nan 0.000 0.429 38 L N 5.409 126.687 121.223 0.092 0.000 2.294 38 L HA 0.598 4.937 4.340 -0.000 0.000 0.283 38 L C -0.944 175.971 176.870 0.076 0.000 1.015 38 L CA 0.116 54.985 54.840 0.049 0.000 0.831 38 L CB 0.768 42.848 42.059 0.035 0.000 1.217 38 L HN 0.438 nan 8.230 nan 0.000 0.420 39 L N 3.731 125.014 121.223 0.100 0.000 2.301 39 L HA 1.045 5.385 4.340 -0.000 0.000 0.264 39 L C 0.134 177.020 176.870 0.027 0.000 1.016 39 L CA -0.747 54.197 54.840 0.173 0.000 0.821 39 L CB 2.236 44.502 42.059 0.345 0.000 1.346 39 L HN 0.676 nan 8.230 nan 0.000 0.429 40 G N 0.084 108.894 108.800 0.017 0.000 2.350 40 G HA2 0.434 4.394 3.960 -0.000 0.000 0.305 40 G HA3 0.434 4.394 3.960 -0.000 0.000 0.305 40 G C -1.390 173.475 174.900 -0.059 0.000 1.479 40 G CA -0.278 44.611 45.100 -0.351 0.000 0.949 40 G HN 0.797 nan 8.290 nan 0.000 0.651 41 A N -0.347 122.447 122.820 -0.042 0.000 2.492 41 A HA 0.665 4.985 4.320 -0.000 0.000 0.236 41 A C 1.409 179.004 177.584 0.018 0.000 1.078 41 A CA 0.943 53.009 52.037 0.048 0.000 0.773 41 A CB -0.016 19.028 19.000 0.074 0.000 1.023 41 A HN 2.365 nan 8.150 nan 0.000 0.504 42 G N -0.808 108.019 108.800 0.046 0.000 2.484 42 G HA2 0.394 4.354 3.960 -0.000 0.000 0.235 42 G HA3 0.394 4.354 3.960 -0.000 0.000 0.235 42 G C 0.303 175.219 174.900 0.027 0.000 1.282 42 G CA 0.592 45.716 45.100 0.040 0.000 0.857 42 G HN 1.027 nan 8.290 nan 0.000 0.571 43 E N -0.470 119.743 120.200 0.022 0.000 3.801 43 E HA -0.309 4.041 4.350 -0.000 0.000 0.319 43 E C 1.829 178.428 176.600 -0.001 0.000 0.784 43 E CA 0.978 57.389 56.400 0.017 0.000 1.183 43 E CB -1.548 28.170 29.700 0.029 0.000 1.601 43 E HN 0.697 nan 8.360 nan 0.000 0.441 44 S N -0.789 114.895 115.700 -0.026 0.000 2.489 44 S HA 0.191 4.661 4.470 -0.000 0.000 0.228 44 S C 1.576 176.148 174.600 -0.046 0.000 0.995 44 S CA 0.895 59.059 58.200 -0.059 0.000 0.934 44 S CB 0.880 63.995 63.200 -0.142 0.000 0.771 44 S HN 0.873 nan 8.310 nan 0.000 0.522 45 G N 0.939 109.723 108.800 -0.027 0.000 2.173 45 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.142 45 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.142 45 G C 0.659 175.556 174.900 -0.004 0.000 1.019 45 G CA 0.085 45.176 45.100 -0.014 0.000 0.699 45 G HN 0.419 nan 8.290 nan 0.000 0.495 46 K N 1.065 121.459 120.400 -0.010 0.000 2.009 46 K HA -0.113 4.207 4.320 -0.000 0.000 0.210 46 K C 2.888 179.491 176.600 0.005 0.000 1.049 46 K CA 2.047 58.333 56.287 -0.001 0.000 0.929 46 K CB -0.297 32.205 32.500 0.004 0.000 0.714 46 K HN 0.571 nan 8.250 nan 0.000 0.440 47 S N 0.461 116.167 115.700 0.011 0.000 2.399 47 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 47 S C 1.991 176.588 174.600 -0.006 0.000 1.022 47 S CA 1.708 59.917 58.200 0.015 0.000 0.983 47 S CB -0.520 62.699 63.200 0.032 0.000 0.803 47 S HN 0.188 nan 8.310 nan 0.000 0.480 48 T N 2.370 116.911 114.554 -0.022 0.000 2.821 48 T HA 0.161 4.511 4.350 -0.000 0.000 0.267 48 T C 1.669 176.334 174.700 -0.059 0.000 1.046 48 T CA 1.372 63.439 62.100 -0.055 0.000 1.139 48 T CB -0.390 68.439 68.868 -0.065 0.000 0.871 48 T HN 0.414 nan 8.240 nan 0.000 0.454 49 I N 0.808 121.359 120.570 -0.031 0.000 2.315 49 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 49 I C 2.359 178.422 176.117 -0.091 0.000 1.117 49 I CA 0.746 62.025 61.300 -0.036 0.000 1.404 49 I CB -0.255 37.767 38.000 0.038 0.000 1.071 49 I HN 0.097 nan 8.210 nan 0.000 0.419 50 V N 0.884 120.762 119.914 -0.060 0.000 2.343 50 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 50 V C 2.383 178.440 176.094 -0.061 0.000 1.051 50 V CA 1.791 64.052 62.300 -0.065 0.000 1.036 50 V CB -0.679 31.131 31.823 -0.021 0.000 0.654 50 V HN 0.391 nan 8.190 nan 0.000 0.451 51 K N -0.479 119.907 120.400 -0.023 0.000 2.103 51 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 51 K C 2.327 178.915 176.600 -0.021 0.000 1.048 51 K CA 1.324 57.634 56.287 0.039 0.000 0.930 51 K CB -0.216 32.245 32.500 -0.064 0.000 0.716 51 K HN 0.435 nan 8.250 nan 0.000 0.444 52 Q N 0.006 119.734 119.800 -0.120 0.000 2.084 52 Q HA -0.087 4.252 4.340 -0.000 0.000 0.202 52 Q C 2.129 177.955 176.000 -0.290 0.000 0.978 52 Q CA 1.123 56.815 55.803 -0.185 0.000 0.844 52 Q CB -0.119 28.507 28.738 -0.186 0.000 0.898 52 Q HN 0.349 nan 8.270 nan 0.000 0.426 53 M N 0.749 120.131 119.600 -0.363 0.000 2.108 53 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 53 M C 1.909 177.959 176.300 -0.418 0.000 1.066 53 M CA 1.514 56.465 55.300 -0.581 0.000 1.107 53 M CB -0.804 31.389 32.600 -0.678 0.000 1.356 53 M HN 0.134 nan 8.290 nan 0.000 0.406 54 K N 0.008 120.273 120.400 -0.225 0.000 2.097 54 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 54 K C 2.002 178.510 176.600 -0.154 0.000 1.049 54 K CA 1.065 57.257 56.287 -0.157 0.000 0.933 54 K CB -0.153 32.282 32.500 -0.109 0.000 0.717 54 K HN 0.299 nan 8.250 nan 0.000 0.442 55 I N 0.761 121.268 120.570 -0.106 0.000 2.233 55 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 55 I C 2.201 178.187 176.117 -0.217 0.000 1.093 55 I CA 1.220 62.464 61.300 -0.093 0.000 1.380 55 I CB -0.159 37.810 38.000 -0.051 0.000 1.067 55 I HN 0.095 nan 8.210 nan 0.000 0.413 56 I N -0.159 120.191 120.570 -0.367 0.000 2.333 56 I HA -0.232 3.938 4.170 -0.000 0.000 0.246 56 I C 1.481 177.165 176.117 -0.720 0.000 1.106 56 I CA 1.506 62.451 61.300 -0.593 0.000 1.411 56 I CB -0.269 37.217 38.000 -0.856 0.000 1.082 56 I HN 0.276 nan 8.210 nan 0.000 0.420 57 H N -0.742 118.084 119.070 -0.406 0.000 2.674 57 H HA 0.246 4.802 4.556 -0.000 0.000 0.274 57 H C 0.544 175.779 175.328 -0.154 0.000 1.121 57 H CA 0.033 55.895 56.048 -0.310 0.000 1.132 57 H CB 0.543 30.002 29.762 -0.505 0.000 1.606 57 H HN 0.221 nan 8.280 nan 0.000 0.558 58 E N -0.103 120.050 120.200 -0.079 0.000 2.676 58 E HA 0.432 4.781 4.350 -0.000 0.000 0.225 58 E C 0.675 177.234 176.600 -0.068 0.000 0.944 58 E CA 0.421 56.797 56.400 -0.041 0.000 1.156 58 E CB 1.326 30.997 29.700 -0.048 0.000 1.117 58 E HN 0.331 nan 8.360 nan 0.000 0.523 59 A N 0.057 122.826 122.820 -0.085 0.000 3.721 59 A HA 0.016 4.336 4.320 -0.000 0.000 0.212 59 A C 1.059 178.585 177.584 -0.096 0.000 1.088 59 A CA 0.603 52.592 52.037 -0.079 0.000 1.733 59 A CB -1.886 17.072 19.000 -0.070 0.000 0.846 59 A HN 0.826 nan 8.150 nan 0.000 0.764 60 G N -1.814 106.912 108.800 -0.123 0.000 2.632 60 G HA2 0.101 4.061 3.960 -0.000 0.000 0.224 60 G HA3 0.101 4.061 3.960 -0.000 0.000 0.224 60 G C -0.532 174.292 174.900 -0.127 0.000 1.341 60 G CA 0.123 45.190 45.100 -0.055 0.000 0.880 60 G HN 1.611 nan 8.290 nan 0.000 0.566 61 Y N 1.830 122.078 120.300 -0.087 0.000 2.388 61 Y HA 0.577 5.127 4.550 -0.000 0.000 0.328 61 Y C 1.239 177.105 175.900 -0.057 0.000 0.963 61 Y CA -0.033 58.024 58.100 -0.072 0.000 1.240 61 Y CB 1.412 39.806 38.460 -0.111 0.000 1.118 61 Y HN 0.962 nan 8.280 nan 0.000 0.484 62 S N 0.856 116.572 115.700 0.027 0.000 2.587 62 S HA -0.027 4.443 4.470 -0.000 0.000 0.260 62 S C 1.310 175.933 174.600 0.038 0.000 1.353 62 S CA -0.280 57.929 58.200 0.015 0.000 0.995 62 S CB 0.862 64.056 63.200 -0.010 0.000 0.912 62 S HN 0.850 nan 8.310 nan 0.000 0.568 63 E N 0.185 120.392 120.200 0.012 0.000 2.153 63 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 63 E C 1.891 178.493 176.600 0.005 0.000 0.988 63 E CA 1.176 57.576 56.400 -0.000 0.000 0.811 63 E CB -0.098 29.593 29.700 -0.015 0.000 0.746 63 E HN 0.872 nan 8.360 nan 0.000 0.466 64 E N 0.119 120.325 120.200 0.010 0.000 2.216 64 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 64 E C 1.618 178.244 176.600 0.044 0.000 0.988 64 E CA 0.476 56.883 56.400 0.012 0.000 0.834 64 E CB 0.230 29.931 29.700 0.002 0.000 0.772 64 E HN 0.288 nan 8.360 nan 0.000 0.479 65 E N -0.266 119.979 120.200 0.076 0.000 2.072 65 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 65 E C 2.169 178.940 176.600 0.285 0.000 0.982 65 E CA 1.080 57.574 56.400 0.156 0.000 0.803 65 E CB -0.018 29.766 29.700 0.139 0.000 0.755 65 E HN 0.363 nan 8.360 nan 0.000 0.453 66 C N 1.228 120.653 119.300 0.207 0.000 2.435 66 C HA -0.062 4.398 4.460 -0.000 0.000 0.279 66 C C 2.341 177.401 174.990 0.117 0.000 1.321 66 C CA 0.422 59.535 59.018 0.157 0.000 1.752 66 C CB -0.600 27.142 27.740 0.004 0.000 1.959 66 C HN 0.368 nan 8.230 nan 0.000 0.500 67 K N 0.541 120.961 120.400 0.034 0.000 2.211 67 K HA -0.206 4.114 4.320 -0.000 0.000 0.204 67 K C 2.049 178.645 176.600 -0.007 0.000 1.047 67 K CA 1.259 57.526 56.287 -0.034 0.000 0.935 67 K CB -0.233 32.245 32.500 -0.037 0.000 0.728 67 K HN 0.638 nan 8.250 nan 0.000 0.452 68 Q N -0.647 119.178 119.800 0.042 0.000 2.291 68 Q HA -0.131 4.208 4.340 -0.000 0.000 0.205 68 Q C 0.980 176.891 176.000 -0.148 0.000 0.970 68 Q CA 1.108 56.879 55.803 -0.054 0.000 0.876 68 Q CB 0.078 28.763 28.738 -0.088 0.000 0.935 68 Q HN 0.432 nan 8.270 nan 0.000 0.455 69 Y N 0.105 120.371 120.300 -0.056 0.000 2.490 69 Y HA 0.010 4.560 4.550 -0.000 0.000 0.281 69 Y C 2.034 177.861 175.900 -0.122 0.000 1.174 69 Y CA 0.272 58.331 58.100 -0.068 0.000 1.295 69 Y CB 0.118 38.542 38.460 -0.059 0.000 1.062 69 Y HN -0.027 nan 8.280 nan 0.000 0.522 70 K N 0.883 121.248 120.400 -0.058 0.000 2.044 70 K HA -0.277 4.043 4.320 -0.000 0.000 0.210 70 K C 2.309 178.708 176.600 -0.336 0.000 1.049 70 K CA 1.595 57.742 56.287 -0.233 0.000 0.927 70 K CB -0.260 32.103 32.500 -0.228 0.000 0.713 70 K HN 0.285 nan 8.250 nan 0.000 0.443 71 A N 0.355 123.093 122.820 -0.137 0.000 1.908 71 A HA -0.138 4.181 4.320 -0.000 0.000 0.218 71 A C 2.246 179.811 177.584 -0.033 0.000 1.181 71 A CA 1.892 53.913 52.037 -0.027 0.000 0.627 71 A CB -0.687 18.312 19.000 -0.001 0.000 0.818 71 A HN 0.194 nan 8.150 nan 0.000 0.445 72 V N -0.440 119.441 119.914 -0.055 0.000 2.343 72 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 72 V C 2.547 178.588 176.094 -0.089 0.000 1.051 72 V CA 1.895 64.178 62.300 -0.028 0.000 1.036 72 V CB -0.865 30.977 31.823 0.031 0.000 0.654 72 V HN 0.369 nan 8.190 nan 0.000 0.451 73 V N -0.967 118.849 119.914 -0.164 0.000 2.295 73 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 73 V C 2.312 178.196 176.094 -0.350 0.000 1.049 73 V CA 2.070 64.130 62.300 -0.401 0.000 1.024 73 V CB -0.788 30.863 31.823 -0.287 0.000 0.648 73 V HN 0.480 nan 8.190 nan 0.000 0.447 74 Y N 0.186 120.381 120.300 -0.175 0.000 2.145 74 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 74 Y C 2.975 178.788 175.900 -0.144 0.000 1.145 74 Y CA 1.270 59.276 58.100 -0.157 0.000 1.148 74 Y CB -1.272 37.141 38.460 -0.077 0.000 0.981 74 Y HN 0.231 nan 8.280 nan 0.000 0.507 75 S N -0.059 115.679 115.700 0.062 0.000 2.368 75 S HA -0.212 4.257 4.470 -0.000 0.000 0.225 75 S C 1.881 176.472 174.600 -0.016 0.000 1.030 75 S CA 1.711 59.924 58.200 0.022 0.000 0.999 75 S CB -0.502 62.712 63.200 0.022 0.000 0.844 75 S HN 0.614 nan 8.310 nan 0.000 0.459 76 N N -0.411 118.246 118.700 -0.071 0.000 2.120 76 N HA -0.083 4.657 4.740 -0.000 0.000 0.188 76 N C 1.674 177.151 175.510 -0.054 0.000 1.024 76 N CA 1.711 54.729 53.050 -0.053 0.000 0.852 76 N CB -0.227 38.209 38.487 -0.085 0.000 1.003 76 N HN 0.385 nan 8.380 nan 0.000 0.424 77 T N 1.481 115.938 114.554 -0.163 0.000 2.708 77 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 77 T C 1.989 176.643 174.700 -0.076 0.000 1.037 77 T CA 0.824 62.854 62.100 -0.117 0.000 1.146 77 T CB -0.196 68.579 68.868 -0.154 0.000 0.865 77 T HN 0.184 nan 8.240 nan 0.000 0.435 78 I N 1.732 122.267 120.570 -0.058 0.000 2.179 78 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 78 I C 2.950 179.056 176.117 -0.019 0.000 1.088 78 I CA 1.511 62.781 61.300 -0.050 0.000 1.357 78 I CB -0.556 37.420 38.000 -0.039 0.000 1.051 78 I HN 0.423 nan 8.210 nan 0.000 0.409 79 Q N 0.374 120.182 119.800 0.012 0.000 2.224 79 Q HA -0.116 4.224 4.340 -0.000 0.000 0.203 79 Q C 2.070 178.111 176.000 0.069 0.000 0.970 79 Q CA 1.684 57.517 55.803 0.049 0.000 0.865 79 Q CB -0.312 28.463 28.738 0.061 0.000 0.922 79 Q HN 0.302 nan 8.270 nan 0.000 0.445 80 S N 1.163 116.897 115.700 0.057 0.000 2.338 80 S HA -0.116 4.354 4.470 -0.000 0.000 0.218 80 S C 1.837 176.489 174.600 0.086 0.000 1.032 80 S CA 1.127 59.379 58.200 0.087 0.000 0.999 80 S CB -0.316 62.918 63.200 0.056 0.000 0.905 80 S HN 0.397 nan 8.310 nan 0.000 0.439 81 I N 2.025 122.603 120.570 0.013 0.000 2.335 81 I HA -0.117 4.053 4.170 -0.000 0.000 0.251 81 I C 1.796 177.938 176.117 0.041 0.000 1.129 81 I CA 1.110 62.428 61.300 0.030 0.000 1.402 81 I CB -0.335 37.644 38.000 -0.034 0.000 1.069 81 I HN 0.279 nan 8.210 nan 0.000 0.424 82 I N 0.202 120.778 120.570 0.010 0.000 2.252 82 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 82 I C 2.559 178.752 176.117 0.126 0.000 1.102 82 I CA 1.241 62.553 61.300 0.020 0.000 1.385 82 I CB -0.657 37.377 38.000 0.056 0.000 1.064 82 I HN 0.280 nan 8.210 nan 0.000 0.414 83 A N 1.054 123.955 122.820 0.135 0.000 1.933 83 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 83 A C 2.260 179.896 177.584 0.086 0.000 1.175 83 A CA 1.464 53.590 52.037 0.148 0.000 0.628 83 A CB -0.751 18.379 19.000 0.216 0.000 0.814 83 A HN 0.399 nan 8.150 nan 0.000 0.444 84 I N -1.040 119.626 120.570 0.160 0.000 2.252 84 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 84 I C 2.151 178.285 176.117 0.029 0.000 1.102 84 I CA 1.019 62.405 61.300 0.143 0.000 1.385 84 I CB -0.277 37.920 38.000 0.329 0.000 1.064 84 I HN 0.219 nan 8.210 nan 0.000 0.414 85 I N 0.604 121.229 120.570 0.092 0.000 2.252 85 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 85 I C 2.599 178.769 176.117 0.088 0.000 1.102 85 I CA 1.447 62.814 61.300 0.111 0.000 1.385 85 I CB -0.497 37.615 38.000 0.186 0.000 1.064 85 I HN 0.037 nan 8.210 nan 0.000 0.414 86 R N 0.078 120.648 120.500 0.117 0.000 2.081 86 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 86 R C 2.323 178.566 176.300 -0.094 0.000 1.131 86 R CA 1.413 57.547 56.100 0.056 0.000 0.960 86 R CB -0.563 29.783 30.300 0.076 0.000 0.856 86 R HN 0.374 nan 8.270 nan 0.000 0.436 87 A N 0.936 123.606 122.820 -0.251 0.000 1.933 87 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 87 A C 2.137 179.558 177.584 -0.272 0.000 1.175 87 A CA 1.308 53.074 52.037 -0.452 0.000 0.628 87 A CB -0.417 17.816 19.000 -1.279 0.000 0.814 87 A HN 0.211 nan 8.150 nan 0.000 0.444 88 M N -0.619 118.858 119.600 -0.206 0.000 2.149 88 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 88 M C 2.287 178.497 176.300 -0.149 0.000 1.064 88 M CA 1.495 56.686 55.300 -0.181 0.000 1.102 88 M CB -0.625 31.823 32.600 -0.254 0.000 1.369 88 M HN 0.536 nan 8.290 nan 0.000 0.408 89 G N 0.144 108.876 108.800 -0.113 0.000 2.433 89 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 89 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 89 G C 1.581 176.439 174.900 -0.069 0.000 1.186 89 G CA 0.629 45.682 45.100 -0.078 0.000 0.779 89 G HN 0.369 nan 8.290 nan 0.000 0.543 90 R N -0.141 120.315 120.500 -0.073 0.000 2.091 90 R HA 0.061 4.401 4.340 -0.000 0.000 0.238 90 R C 2.439 178.712 176.300 -0.045 0.000 1.136 90 R CA 1.005 57.073 56.100 -0.053 0.000 0.959 90 R CB -0.441 29.827 30.300 -0.052 0.000 0.856 90 R HN 0.319 nan 8.270 nan 0.000 0.437 91 L N 0.469 121.656 121.223 -0.060 0.000 2.599 91 L HA 0.065 4.405 4.340 -0.000 0.000 0.230 91 L C -0.046 176.800 176.870 -0.041 0.000 1.141 91 L CA 0.041 54.859 54.840 -0.037 0.000 0.877 91 L CB -0.066 41.977 42.059 -0.028 0.000 1.009 91 L HN 0.039 nan 8.230 nan 0.000 0.447 92 K N 1.010 121.376 120.400 -0.056 0.000 3.393 92 K HA -0.142 4.178 4.320 -0.000 0.000 0.272 92 K C -0.787 175.775 176.600 -0.064 0.000 1.004 92 K CA 0.682 56.936 56.287 -0.054 0.000 0.764 92 K CB -1.587 30.893 32.500 -0.033 0.000 1.373 92 K HN 0.273 nan 8.250 nan 0.000 0.458 93 I N 0.994 121.504 120.570 -0.100 0.000 2.362 93 I HA 0.218 4.388 4.170 -0.000 0.000 0.289 93 I C 0.468 176.473 176.117 -0.186 0.000 0.994 93 I CA -0.940 60.294 61.300 -0.110 0.000 1.158 93 I CB 1.420 39.361 38.000 -0.099 0.000 1.315 93 I HN 0.098 nan 8.210 nan 0.000 0.451 94 D N 5.095 125.416 120.400 -0.132 0.000 2.329 94 D HA 0.273 4.913 4.640 -0.000 0.000 0.246 94 D C -0.216 175.999 176.300 -0.142 0.000 1.111 94 D CA 0.017 53.936 54.000 -0.135 0.000 0.941 94 D CB 1.134 41.923 40.800 -0.019 0.000 1.169 94 D HN 0.062 nan 8.370 nan 0.000 0.441 95 F N 0.017 119.977 119.950 0.016 0.000 2.444 95 F HA 0.217 4.744 4.527 -0.000 0.000 0.331 95 F C 1.881 177.685 175.800 0.005 0.000 1.167 95 F CA -0.161 57.847 58.000 0.013 0.000 1.262 95 F CB 0.525 39.534 39.000 0.015 0.000 1.196 95 F HN 0.379 nan 8.300 nan 0.000 0.583 96 G N -0.363 108.569 108.800 0.220 0.000 2.430 96 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.216 96 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.216 96 G C -0.192 174.764 174.900 0.093 0.000 1.146 96 G CA 0.526 45.692 45.100 0.109 0.000 0.793 96 G HN 0.517 nan 8.290 nan 0.000 0.537 97 D N -0.761 119.701 120.400 0.104 0.000 2.549 97 D HA 0.362 5.002 4.640 -0.000 0.000 0.251 97 D C 1.151 177.466 176.300 0.025 0.000 1.153 97 D CA -0.413 53.611 54.000 0.041 0.000 0.861 97 D CB 1.831 42.629 40.800 -0.005 0.000 1.207 97 D HN -0.053 nan 8.370 nan 0.000 0.543 98 S N 2.141 117.863 115.700 0.037 0.000 2.407 98 S HA -0.234 4.236 4.470 -0.000 0.000 0.235 98 S C 1.971 176.534 174.600 -0.062 0.000 1.036 98 S CA 1.376 59.593 58.200 0.029 0.000 1.013 98 S CB -0.034 63.185 63.200 0.031 0.000 0.820 98 S HN 0.674 nan 8.310 nan 0.000 0.476 99 A N 2.142 124.913 122.820 -0.082 0.000 1.978 99 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 99 A C 2.101 179.555 177.584 -0.217 0.000 1.170 99 A CA 1.136 53.105 52.037 -0.113 0.000 0.636 99 A CB -0.403 18.547 19.000 -0.083 0.000 0.810 99 A HN 0.275 nan 8.150 nan 0.000 0.448 100 R N -0.242 120.044 120.500 -0.358 0.000 2.159 100 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 100 R C 2.312 178.110 176.300 -0.835 0.000 1.131 100 R CA 1.230 56.940 56.100 -0.650 0.000 0.982 100 R CB -1.224 28.492 30.300 -0.973 0.000 0.868 100 R HN 0.566 nan 8.270 nan 0.000 0.453 101 A N 1.290 123.713 122.820 -0.662 0.000 1.917 101 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 101 A C 1.967 179.473 177.584 -0.129 0.000 1.182 101 A CA 2.128 54.003 52.037 -0.271 0.000 0.633 101 A CB -0.614 18.383 19.000 -0.004 0.000 0.819 101 A HN 0.369 nan 8.150 nan 0.000 0.448 102 D N -0.892 119.431 120.400 -0.129 0.000 2.178 102 D HA -0.123 4.517 4.640 -0.000 0.000 0.202 102 D C 1.334 177.588 176.300 -0.076 0.000 0.974 102 D CA 1.261 55.220 54.000 -0.068 0.000 0.841 102 D CB -0.070 40.694 40.800 -0.059 0.000 0.953 102 D HN 0.373 nan 8.370 nan 0.000 0.478 103 D N -0.206 120.109 120.400 -0.141 0.000 2.117 103 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 103 D C 2.032 178.270 176.300 -0.103 0.000 0.982 103 D CA 1.145 55.070 54.000 -0.125 0.000 0.828 103 D CB -0.347 40.358 40.800 -0.158 0.000 0.967 103 D HN 0.303 nan 8.370 nan 0.000 0.464 104 A N 1.264 124.023 122.820 -0.101 0.000 1.877 104 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 104 A C 2.197 179.836 177.584 0.091 0.000 1.186 104 A CA 1.730 53.777 52.037 0.017 0.000 0.620 104 A CB -0.561 18.587 19.000 0.247 0.000 0.822 104 A HN 0.145 nan 8.150 nan 0.000 0.443 105 R N -0.750 119.830 120.500 0.134 0.000 2.083 105 R HA -0.245 4.095 4.340 -0.000 0.000 0.237 105 R C 2.359 178.735 176.300 0.127 0.000 1.137 105 R CA 2.109 58.320 56.100 0.185 0.000 0.951 105 R CB -0.326 30.035 30.300 0.102 0.000 0.851 105 R HN 0.546 nan 8.270 nan 0.000 0.434 106 Q N 0.523 120.343 119.800 0.033 0.000 2.170 106 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 106 Q C 1.999 177.981 176.000 -0.031 0.000 0.976 106 Q CA 1.378 57.182 55.803 0.002 0.000 0.858 106 Q CB -0.259 28.462 28.738 -0.028 0.000 0.907 106 Q HN 0.395 nan 8.270 nan 0.000 0.433 107 L N -0.514 120.645 121.223 -0.106 0.000 1.989 107 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 107 L C 1.691 178.430 176.870 -0.220 0.000 1.071 107 L CA 1.890 56.595 54.840 -0.225 0.000 0.749 107 L CB -0.791 41.029 42.059 -0.398 0.000 0.890 107 L HN 0.253 nan 8.230 nan 0.000 0.431 108 F N -0.976 118.982 119.950 0.013 0.000 2.171 108 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 108 F C 2.432 178.235 175.800 0.005 0.000 1.090 108 F CA 1.501 59.508 58.000 0.013 0.000 1.293 108 F CB -1.163 37.849 39.000 0.020 0.000 1.013 108 F HN -0.083 nan 8.300 nan 0.000 0.486 109 V N 0.078 120.090 119.914 0.164 0.000 2.358 109 V HA -0.265 3.854 4.120 -0.000 0.000 0.246 109 V C 2.358 178.479 176.094 0.045 0.000 1.047 109 V CA 1.533 63.887 62.300 0.090 0.000 1.035 109 V CB -0.652 31.207 31.823 0.061 0.000 0.658 109 V HN 0.301 nan 8.190 nan 0.000 0.452 110 L N -0.625 120.606 121.223 0.013 0.000 2.291 110 L HA 0.092 4.432 4.340 -0.000 0.000 0.214 110 L C 1.227 178.088 176.870 -0.015 0.000 1.120 110 L CA 0.699 55.530 54.840 -0.014 0.000 0.799 110 L CB -0.367 41.665 42.059 -0.044 0.000 0.925 110 L HN 0.393 nan 8.230 nan 0.000 0.446 120 T N 1.265 115.683 114.554 -0.228 0.000 2.938 120 T HA 0.919 5.269 4.350 -0.000 0.000 0.285 120 T C 0.896 175.523 174.700 -0.122 0.000 1.028 120 T CA -0.258 61.759 62.100 -0.139 0.000 1.005 120 T CB 1.531 70.340 68.868 -0.099 0.000 1.157 120 T HN 0.853 nan 8.240 nan 0.000 0.550 121 A N -0.209 122.561 122.820 -0.083 0.000 1.929 121 A HA 0.014 4.333 4.320 -0.000 0.000 0.216 121 A C 2.231 179.773 177.584 -0.069 0.000 1.176 121 A CA 1.713 53.708 52.037 -0.069 0.000 0.628 121 A CB -1.147 17.824 19.000 -0.048 0.000 0.816 121 A HN 1.037 nan 8.150 nan 0.000 0.444 122 E N -0.429 119.732 120.200 -0.065 0.000 2.038 122 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 122 E C 1.895 178.452 176.600 -0.072 0.000 1.000 122 E CA 1.641 58.005 56.400 -0.060 0.000 0.803 122 E CB -0.245 29.424 29.700 -0.052 0.000 0.750 122 E HN 0.423 nan 8.360 nan 0.000 0.448 123 L N 0.810 121.979 121.223 -0.090 0.000 2.056 123 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 123 L C 2.319 179.124 176.870 -0.109 0.000 1.078 123 L CA 2.106 56.884 54.840 -0.104 0.000 0.749 123 L CB -0.760 41.223 42.059 -0.127 0.000 0.901 123 L HN 0.222 nan 8.230 nan 0.000 0.433 124 A N -0.460 122.289 122.820 -0.118 0.000 1.908 124 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 124 A C 2.340 179.879 177.584 -0.076 0.000 1.181 124 A CA 1.686 53.657 52.037 -0.110 0.000 0.627 124 A CB -1.607 17.325 19.000 -0.113 0.000 0.818 124 A HN 0.530 nan 8.150 nan 0.000 0.445 125 G N -0.726 108.035 108.800 -0.065 0.000 2.418 125 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.217 125 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.217 125 G C 1.526 176.398 174.900 -0.047 0.000 1.158 125 G CA 1.160 46.231 45.100 -0.049 0.000 0.771 125 G HN 0.314 nan 8.290 nan 0.000 0.545 126 V N 1.153 121.032 119.914 -0.060 0.000 2.332 126 V HA -0.169 3.950 4.120 -0.000 0.000 0.248 126 V C 2.808 178.872 176.094 -0.050 0.000 1.055 126 V CA 1.681 63.942 62.300 -0.064 0.000 1.038 126 V CB -0.322 31.453 31.823 -0.080 0.000 0.651 126 V HN 0.415 nan 8.190 nan 0.000 0.450 127 I N -0.631 119.907 120.570 -0.054 0.000 2.252 127 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 127 I C 2.485 178.623 176.117 0.034 0.000 1.102 127 I CA 1.501 62.782 61.300 -0.031 0.000 1.385 127 I CB -0.440 37.513 38.000 -0.078 0.000 1.064 127 I HN 0.261 nan 8.210 nan 0.000 0.414 128 K N 0.652 121.064 120.400 0.019 0.000 2.097 128 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 128 K C 2.272 178.923 176.600 0.084 0.000 1.049 128 K CA 1.200 57.529 56.287 0.071 0.000 0.933 128 K CB -0.135 32.380 32.500 0.026 0.000 0.717 128 K HN 0.295 nan 8.250 nan 0.000 0.442 129 R N 0.650 121.168 120.500 0.030 0.000 2.073 129 R HA -0.024 4.315 4.340 -0.000 0.000 0.229 129 R C 2.373 178.689 176.300 0.027 0.000 1.120 129 R CA 0.958 57.063 56.100 0.008 0.000 0.967 129 R CB -0.341 29.939 30.300 -0.032 0.000 0.862 129 R HN 0.145 nan 8.270 nan 0.000 0.436 130 L N -0.411 120.842 121.223 0.050 0.000 2.027 130 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 130 L C 2.447 179.434 176.870 0.195 0.000 1.074 130 L CA 1.208 56.108 54.840 0.101 0.000 0.745 130 L CB -0.498 41.620 42.059 0.099 0.000 0.898 130 L HN 0.446 nan 8.230 nan 0.000 0.433 131 W N 1.397 122.686 121.300 -0.018 0.000 2.374 131 W HA -0.278 4.382 4.660 -0.000 0.000 0.288 131 W C 2.325 178.826 176.519 -0.030 0.000 1.218 131 W CA 1.246 58.569 57.345 -0.036 0.000 1.245 131 W CB 0.183 29.599 29.460 -0.072 0.000 1.126 131 W HN 0.068 nan 8.180 nan 0.000 0.545 132 K N 1.283 121.660 120.400 -0.040 0.000 2.228 132 K HA -0.098 4.222 4.320 -0.000 0.000 0.202 132 K C 0.008 176.531 176.600 -0.128 0.000 1.051 132 K CA 0.783 56.979 56.287 -0.150 0.000 0.960 132 K CB -0.691 31.778 32.500 -0.051 0.000 0.743 132 K HN -0.056 nan 8.250 nan 0.000 0.458 133 D N -0.596 119.779 120.400 -0.043 0.000 2.488 133 D HA -0.066 4.574 4.640 -0.000 0.000 0.238 133 D C 0.883 177.174 176.300 -0.014 0.000 1.138 133 D CA 0.584 54.591 54.000 0.011 0.000 0.873 133 D CB 1.064 41.939 40.800 0.124 0.000 1.183 133 D HN 0.227 nan 8.370 nan 0.000 0.458 134 S N 1.939 117.638 115.700 -0.002 0.000 2.423 134 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 134 S C 2.043 176.652 174.600 0.016 0.000 1.014 134 S CA 0.701 58.892 58.200 -0.014 0.000 0.965 134 S CB -0.347 62.849 63.200 -0.007 0.000 0.785 134 S HN 0.574 nan 8.310 nan 0.000 0.495 135 G N 1.394 110.231 108.800 0.061 0.000 2.402 135 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.216 135 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.216 135 G C 1.420 176.340 174.900 0.033 0.000 1.162 135 G CA 0.858 45.982 45.100 0.040 0.000 0.777 135 G HN 0.468 nan 8.290 nan 0.000 0.539 136 V N 0.479 120.451 119.914 0.097 0.000 2.407 136 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 136 V C 2.982 179.142 176.094 0.111 0.000 1.055 136 V CA 1.701 64.076 62.300 0.125 0.000 1.049 136 V CB -0.296 31.648 31.823 0.202 0.000 0.662 136 V HN 0.275 nan 8.190 nan 0.000 0.455 137 Q N -0.191 119.612 119.800 0.005 0.000 2.119 137 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 137 Q C 2.467 178.536 176.000 0.114 0.000 0.972 137 Q CA 1.782 57.582 55.803 -0.006 0.000 0.847 137 Q CB -0.655 27.998 28.738 -0.140 0.000 0.903 137 Q HN 0.647 nan 8.270 nan 0.000 0.433 138 A N 0.251 123.109 122.820 0.062 0.000 1.908 138 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 138 A C 2.507 180.142 177.584 0.085 0.000 1.181 138 A CA 1.662 53.731 52.037 0.054 0.000 0.627 138 A CB -1.164 17.850 19.000 0.023 0.000 0.818 138 A HN 0.514 nan 8.150 nan 0.000 0.445 139 C N -1.665 117.703 119.300 0.113 0.000 2.466 139 C HA -0.031 4.429 4.460 -0.000 0.000 0.278 139 C C 2.436 177.606 174.990 0.299 0.000 1.288 139 C CA 0.993 60.108 59.018 0.161 0.000 1.722 139 C CB -1.532 26.265 27.740 0.096 0.000 2.017 139 C HN 0.667 nan 8.230 nan 0.000 0.488 140 F N 2.679 122.750 119.950 0.202 0.000 2.126 140 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 140 F C 2.007 177.898 175.800 0.151 0.000 1.096 140 F CA 2.093 60.243 58.000 0.251 0.000 1.255 140 F CB -0.757 38.392 39.000 0.249 0.000 0.997 140 F HN 0.242 nan 8.300 nan 0.000 0.479 141 N N 0.714 119.352 118.700 -0.104 0.000 2.573 141 N HA -0.090 4.650 4.740 -0.000 0.000 0.187 141 N C 0.955 176.354 175.510 -0.185 0.000 1.107 141 N CA 0.764 53.683 53.050 -0.219 0.000 0.918 141 N CB -0.297 38.173 38.487 -0.029 0.000 0.966 141 N HN 0.460 nan 8.380 nan 0.000 0.448 142 R N -0.028 120.417 120.500 -0.091 0.000 2.586 142 R HA 0.139 4.479 4.340 -0.000 0.000 0.336 142 R C 1.527 177.741 176.300 -0.143 0.000 1.060 142 R CA -0.050 56.021 56.100 -0.047 0.000 1.079 142 R CB 0.274 30.617 30.300 0.071 0.000 1.317 142 R HN 0.145 nan 8.270 nan 0.000 0.568 143 S N 1.423 116.892 115.700 -0.386 0.000 2.440 143 S HA -0.268 4.202 4.470 -0.000 0.000 0.240 143 S C 1.855 176.030 174.600 -0.709 0.000 1.014 143 S CA 1.174 58.852 58.200 -0.870 0.000 0.980 143 S CB -0.271 62.561 63.200 -0.613 0.000 0.775 143 S HN 0.488 nan 8.310 nan 0.000 0.499 144 R N 1.272 121.541 120.500 -0.385 0.000 2.341 144 R HA 0.053 4.393 4.340 -0.000 0.000 0.213 144 R C 1.351 177.529 176.300 -0.203 0.000 1.082 144 R CA 1.447 57.386 56.100 -0.267 0.000 1.017 144 R CB -0.583 29.590 30.300 -0.213 0.000 0.860 144 R HN 0.533 nan 8.270 nan 0.000 0.473 145 E N -0.063 120.023 120.200 -0.191 0.000 2.474 145 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 145 E C -0.630 176.056 176.600 0.143 0.000 1.039 145 E CA 0.083 56.490 56.400 0.011 0.000 0.881 145 E CB 0.291 30.067 29.700 0.126 0.000 0.970 145 E HN 0.484 nan 8.360 nan 0.000 0.486 146 Y N -2.514 117.785 120.300 -0.001 0.000 2.853 146 Y HA 0.388 4.937 4.550 -0.000 0.000 0.326 146 Y C -1.009 174.907 175.900 0.027 0.000 1.384 146 Y CA -1.515 56.595 58.100 0.017 0.000 1.077 146 Y CB 0.542 39.020 38.460 0.030 0.000 1.395 146 Y HN -0.379 nan 8.280 nan 0.000 0.451 147 Q N 1.428 121.366 119.800 0.231 0.000 2.314 147 Q HA 0.547 4.887 4.340 -0.000 0.000 0.257 147 Q C -1.757 174.352 176.000 0.183 0.000 0.975 147 Q CA -0.562 55.320 55.803 0.131 0.000 0.933 147 Q CB 1.672 30.488 28.738 0.130 0.000 1.195 147 Q HN 0.574 nan 8.270 nan 0.000 0.426 148 L N 3.384 124.649 121.223 0.070 0.000 2.464 148 L HA 0.374 4.714 4.340 -0.000 0.000 0.266 148 L C -1.345 175.585 176.870 0.100 0.000 0.965 148 L CA -0.524 54.392 54.840 0.127 0.000 0.833 148 L CB 1.970 44.095 42.059 0.110 0.000 1.296 148 L HN 0.467 nan 8.230 nan 0.000 0.405 149 N N 3.381 122.159 118.700 0.129 0.000 2.356 149 N HA 0.012 4.752 4.740 -0.000 0.000 0.252 149 N C 0.467 176.047 175.510 0.116 0.000 1.241 149 N CA 0.248 53.368 53.050 0.117 0.000 0.861 149 N CB 0.450 39.022 38.487 0.140 0.000 1.075 149 N HN 0.606 nan 8.380 nan 0.000 0.461 150 D N 0.720 121.170 120.400 0.083 0.000 2.133 150 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 150 D C 0.622 176.968 176.300 0.076 0.000 0.997 150 D CA 1.325 55.368 54.000 0.072 0.000 0.840 150 D CB -0.043 40.780 40.800 0.038 0.000 0.947 150 D HN 0.437 nan 8.370 nan 0.000 0.452 151 S N 0.523 116.254 115.700 0.052 0.000 2.660 151 S HA 0.121 4.591 4.470 -0.000 0.000 0.223 151 S C 1.861 176.502 174.600 0.069 0.000 0.963 151 S CA 0.233 58.424 58.200 -0.014 0.000 0.932 151 S CB 0.243 63.367 63.200 -0.126 0.000 0.775 151 S HN 0.290 nan 8.310 nan 0.000 0.531 152 A N 2.250 125.149 122.820 0.132 0.000 1.873 152 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 152 A C 2.394 179.903 177.584 -0.126 0.000 1.193 152 A CA 1.906 53.989 52.037 0.077 0.000 0.629 152 A CB -1.237 17.868 19.000 0.175 0.000 0.826 152 A HN 0.580 nan 8.150 nan 0.000 0.447 153 A N -2.033 120.768 122.820 -0.030 0.000 1.969 153 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 153 A C 2.113 179.632 177.584 -0.107 0.000 1.169 153 A CA 1.646 53.613 52.037 -0.118 0.000 0.635 153 A CB -0.776 18.321 19.000 0.162 0.000 0.810 153 A HN 0.780 nan 8.150 nan 0.000 0.445 154 Y N -0.587 119.606 120.300 -0.179 0.000 2.097 154 Y HA -0.298 4.252 4.550 -0.000 0.000 0.282 154 Y C 2.151 177.889 175.900 -0.271 0.000 1.152 154 Y CA 2.197 60.143 58.100 -0.257 0.000 1.136 154 Y CB -0.519 37.691 38.460 -0.418 0.000 0.975 154 Y HN 0.368 nan 8.280 nan 0.000 0.498 155 Y N -0.226 119.981 120.300 -0.154 0.000 2.184 155 Y HA -0.157 4.392 4.550 -0.000 0.000 0.290 155 Y C 2.446 178.113 175.900 -0.389 0.000 1.129 155 Y CA 1.425 59.369 58.100 -0.260 0.000 1.144 155 Y CB -0.946 37.453 38.460 -0.102 0.000 0.995 155 Y HN 0.098 nan 8.280 nan 0.000 0.513 156 L N -0.108 120.875 121.223 -0.401 0.000 2.083 156 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 156 L C 1.782 178.307 176.870 -0.576 0.000 1.083 156 L CA 1.280 55.639 54.840 -0.802 0.000 0.752 156 L CB -0.520 40.420 42.059 -1.865 0.000 0.899 156 L HN 0.249 nan 8.230 nan 0.000 0.433 157 N N -0.332 118.184 118.700 -0.306 0.000 2.512 157 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 157 N C 0.424 175.872 175.510 -0.104 0.000 1.073 157 N CA 0.935 53.978 53.050 -0.012 0.000 0.911 157 N CB -0.041 38.474 38.487 0.047 0.000 0.964 157 N HN 0.299 nan 8.380 nan 0.000 0.447 158 D N -0.162 120.110 120.400 -0.213 0.000 2.501 158 D HA 0.180 4.820 4.640 -0.000 0.000 0.226 158 D C 1.610 177.809 176.300 -0.167 0.000 1.198 158 D CA -0.208 53.670 54.000 -0.203 0.000 0.830 158 D CB 0.330 40.934 40.800 -0.326 0.000 1.014 158 D HN 0.059 nan 8.370 nan 0.000 0.496 159 L N 0.329 121.462 121.223 -0.150 0.000 2.043 159 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 159 L C 1.493 178.293 176.870 -0.117 0.000 1.075 159 L CA 1.411 56.166 54.840 -0.140 0.000 0.752 159 L CB 0.035 42.020 42.059 -0.123 0.000 0.891 159 L HN 0.102 nan 8.230 nan 0.000 0.432 160 D N -0.628 119.724 120.400 -0.080 0.000 2.116 160 D HA -0.269 4.371 4.640 -0.000 0.000 0.193 160 D C 2.153 178.415 176.300 -0.062 0.000 0.998 160 D CA 1.472 55.438 54.000 -0.058 0.000 0.836 160 D CB -0.108 40.671 40.800 -0.034 0.000 0.951 160 D HN 0.309 nan 8.370 nan 0.000 0.449 161 R N 0.392 120.847 120.500 -0.074 0.000 2.066 161 R HA -0.101 4.238 4.340 -0.000 0.000 0.232 161 R C 2.335 178.541 176.300 -0.156 0.000 1.131 161 R CA 0.851 56.921 56.100 -0.050 0.000 0.955 161 R CB -0.090 30.194 30.300 -0.026 0.000 0.851 161 R HN 0.069 nan 8.270 nan 0.000 0.432 162 I N 1.137 121.496 120.570 -0.353 0.000 2.286 162 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 162 I C 2.395 178.291 176.117 -0.369 0.000 1.115 162 I CA 1.456 62.292 61.300 -0.774 0.000 1.392 162 I CB -1.441 36.270 38.000 -0.481 0.000 1.065 162 I HN 0.290 nan 8.210 nan 0.000 0.418 163 A N 0.029 122.752 122.820 -0.162 0.000 2.066 163 A HA -0.078 4.241 4.320 -0.000 0.000 0.218 163 A C 1.229 178.808 177.584 -0.009 0.000 1.157 163 A CA 0.274 52.259 52.037 -0.086 0.000 0.670 163 A CB -0.350 18.590 19.000 -0.101 0.000 0.804 163 A HN 0.364 nan 8.150 nan 0.000 0.453 164 Q N -0.133 119.683 119.800 0.028 0.000 2.304 164 Q HA 0.030 4.370 4.340 -0.000 0.000 0.301 164 Q C -1.563 174.515 176.000 0.130 0.000 1.063 164 Q CA -1.261 54.587 55.803 0.076 0.000 0.947 164 Q CB -0.087 28.709 28.738 0.096 0.000 1.201 164 Q HN 0.195 nan 8.270 nan 0.000 0.389 165 P HA -0.152 nan 4.420 nan 0.000 0.216 165 P C -0.002 177.368 177.300 0.117 0.000 1.150 165 P CA 1.403 64.555 63.100 0.088 0.000 0.843 165 P CB 0.328 32.057 31.700 0.049 0.000 0.787 166 N N -2.312 116.454 118.700 0.110 0.000 2.380 166 N HA 0.063 4.803 4.740 -0.000 0.000 0.255 166 N C -0.352 175.228 175.510 0.115 0.000 1.158 166 N CA -0.460 52.645 53.050 0.092 0.000 0.878 166 N CB -0.648 37.870 38.487 0.053 0.000 1.138 166 N HN 0.131 nan 8.380 nan 0.000 0.509 167 Y N 1.528 121.860 120.300 0.053 0.000 2.717 167 Y HA 0.125 4.675 4.550 -0.000 0.000 0.330 167 Y C -0.342 175.569 175.900 0.018 0.000 1.217 167 Y CA -0.169 57.958 58.100 0.044 0.000 1.506 167 Y CB 0.170 38.679 38.460 0.081 0.000 1.268 167 Y HN 0.052 nan 8.280 nan 0.000 0.561 168 I N 9.475 129.708 120.570 -0.561 0.000 2.410 168 I HA 0.289 4.459 4.170 -0.000 0.000 0.286 168 I C -2.371 173.298 176.117 -0.748 0.000 1.009 168 I CA -2.267 58.679 61.300 -0.590 0.000 1.111 168 I CB 1.706 39.571 38.000 -0.225 0.000 1.262 168 I HN 0.534 nan 8.210 nan 0.000 0.443 169 P HA 0.009 nan 4.420 nan 0.000 0.263 169 P C 0.004 177.220 177.300 -0.141 0.000 1.195 169 P CA 0.135 63.012 63.100 -0.372 0.000 0.762 169 P CB 0.363 31.939 31.700 -0.207 0.000 0.799 170 T N -0.100 114.446 114.554 -0.014 0.000 2.847 170 T HA 0.134 4.484 4.350 -0.000 0.000 0.279 170 T C 1.258 175.917 174.700 -0.067 0.000 0.984 170 T CA -0.472 61.619 62.100 -0.016 0.000 0.988 170 T CB 0.670 69.565 68.868 0.044 0.000 1.040 170 T HN 0.350 nan 8.240 nan 0.000 0.528 171 Q N -0.164 119.580 119.800 -0.093 0.000 2.096 171 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 171 Q C 2.320 178.195 176.000 -0.208 0.000 0.982 171 Q CA 1.868 57.561 55.803 -0.183 0.000 0.850 171 Q CB -0.295 28.361 28.738 -0.136 0.000 0.901 171 Q HN 0.791 nan 8.270 nan 0.000 0.422 172 Q N 1.224 120.952 119.800 -0.120 0.000 2.135 172 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 172 Q C 1.265 177.165 176.000 -0.167 0.000 0.981 172 Q CA 1.765 57.479 55.803 -0.149 0.000 0.856 172 Q CB -0.110 28.597 28.738 -0.052 0.000 0.902 172 Q HN 0.303 nan 8.270 nan 0.000 0.425 173 D N -0.970 119.443 120.400 0.022 0.000 2.117 173 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 173 D C 1.867 178.184 176.300 0.028 0.000 0.987 173 D CA 1.519 55.635 54.000 0.194 0.000 0.829 173 D CB -0.194 40.797 40.800 0.318 0.000 0.961 173 D HN 0.199 nan 8.370 nan 0.000 0.460 174 V N 1.048 120.838 119.914 -0.207 0.000 2.307 174 V HA -0.200 3.919 4.120 -0.000 0.000 0.245 174 V C 2.700 178.533 176.094 -0.435 0.000 1.045 174 V CA 1.054 63.056 62.300 -0.496 0.000 1.024 174 V CB -0.539 30.704 31.823 -0.966 0.000 0.651 174 V HN 0.176 nan 8.190 nan 0.000 0.449 175 L N -0.422 120.554 121.223 -0.412 0.000 2.081 175 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 175 L C 2.761 179.477 176.870 -0.258 0.000 1.080 175 L CA 1.435 56.074 54.840 -0.335 0.000 0.754 175 L CB -0.524 41.350 42.059 -0.308 0.000 0.893 175 L HN 0.238 nan 8.230 nan 0.000 0.433 176 R N -0.104 120.224 120.500 -0.288 0.000 2.236 176 R HA -0.002 4.338 4.340 -0.000 0.000 0.208 176 R C 0.968 177.261 176.300 -0.011 0.000 1.036 176 R CA 0.679 56.595 56.100 -0.306 0.000 1.001 176 R CB -0.957 28.890 30.300 -0.754 0.000 0.896 176 R HN 0.463 nan 8.270 nan 0.000 0.464 177 T N 0.046 114.659 114.554 0.098 0.000 2.926 177 T HA 0.215 4.565 4.350 -0.000 0.000 0.307 177 T C 0.212 174.983 174.700 0.119 0.000 1.059 177 T CA -0.633 61.585 62.100 0.197 0.000 1.122 177 T CB 1.195 70.175 68.868 0.186 0.000 0.972 177 T HN -0.056 nan 8.240 nan 0.000 0.545 178 R N 1.656 122.237 120.500 0.134 0.000 2.360 178 R HA 0.605 4.945 4.340 -0.000 0.000 0.318 178 R C -1.907 174.444 176.300 0.086 0.000 0.950 178 R CA -0.960 55.198 56.100 0.096 0.000 0.837 178 R CB 0.657 31.015 30.300 0.098 0.000 1.165 178 R HN 0.606 nan 8.270 nan 0.000 0.458 179 V N 5.146 125.107 119.914 0.078 0.000 2.569 179 V HA 0.361 4.481 4.120 -0.000 0.000 0.301 179 V C -0.403 175.727 176.094 0.060 0.000 1.044 179 V CA -1.049 61.291 62.300 0.068 0.000 0.874 179 V CB 1.836 33.703 31.823 0.074 0.000 1.002 179 V HN 0.739 nan 8.190 nan 0.000 0.424 180 K N 2.714 123.146 120.400 0.054 0.000 2.436 180 K HA 0.197 4.517 4.320 -0.000 0.000 0.282 180 K C -0.045 176.586 176.600 0.052 0.000 1.044 180 K CA 0.131 56.450 56.287 0.053 0.000 1.028 180 K CB 0.422 32.953 32.500 0.052 0.000 0.919 180 K HN 0.742 nan 8.250 nan 0.000 0.474 181 T N 4.136 118.723 114.554 0.055 0.000 2.723 181 T HA 0.104 4.454 4.350 -0.000 0.000 0.297 181 T C -0.417 174.320 174.700 0.061 0.000 0.925 181 T CA -0.524 61.610 62.100 0.057 0.000 1.030 181 T CB 0.556 69.459 68.868 0.059 0.000 0.905 181 T HN 0.675 nan 8.240 nan 0.000 0.502 182 T N 0.824 115.411 114.554 0.056 0.000 2.771 182 T HA 0.717 5.067 4.350 -0.000 0.000 0.281 182 T C 0.449 175.183 174.700 0.058 0.000 0.982 182 T CA -0.454 61.681 62.100 0.058 0.000 0.978 182 T CB 1.188 70.085 68.868 0.049 0.000 0.930 182 T HN 1.018 nan 8.240 nan 0.000 0.447 183 G N 2.755 111.596 108.800 0.069 0.000 2.705 183 G HA2 -0.083 3.876 3.960 -0.000 0.000 0.686 183 G HA3 -0.083 3.876 3.960 -0.000 0.000 0.686 183 G C -0.468 174.479 174.900 0.078 0.000 1.285 183 G CA -0.893 44.244 45.100 0.063 0.000 0.800 183 G HN 1.047 nan 8.290 nan 0.000 0.611 184 I N 0.222 120.841 120.570 0.081 0.000 2.683 184 I HA 0.250 4.420 4.170 -0.000 0.000 0.286 184 I C 0.930 177.117 176.117 0.115 0.000 1.175 184 I CA -0.178 61.190 61.300 0.114 0.000 1.429 184 I CB 0.693 38.758 38.000 0.109 0.000 1.371 184 I HN 0.357 nan 8.210 nan 0.000 0.569 185 V N 6.032 126.017 119.914 0.119 0.000 2.628 185 V HA 0.408 4.528 4.120 -0.000 0.000 0.306 185 V C -0.117 176.002 176.094 0.042 0.000 1.045 185 V CA -0.630 61.713 62.300 0.071 0.000 0.905 185 V CB 1.783 33.633 31.823 0.045 0.000 0.997 185 V HN 0.795 nan 8.190 nan 0.000 0.436 186 E N 2.048 122.210 120.200 -0.063 0.000 2.288 186 E HA 0.702 5.052 4.350 -0.000 0.000 0.268 186 E C -1.312 175.068 176.600 -0.367 0.000 0.885 186 E CA -0.455 55.750 56.400 -0.325 0.000 0.767 186 E CB 2.449 31.908 29.700 -0.401 0.000 1.220 186 E HN 0.681 nan 8.360 nan 0.000 0.427 187 T N 2.379 116.644 114.554 -0.481 0.000 2.933 187 T HA 0.360 4.710 4.350 -0.000 0.000 0.305 187 T C -1.663 172.807 174.700 -0.383 0.000 1.092 187 T CA -0.643 61.263 62.100 -0.323 0.000 1.008 187 T CB 0.790 69.608 68.868 -0.084 0.000 1.102 187 T HN 0.473 nan 8.240 nan 0.000 0.469 188 H N 3.391 122.456 119.070 -0.008 0.000 2.569 188 H HA 0.752 5.308 4.556 -0.000 0.000 0.357 188 H C -0.636 174.757 175.328 0.108 0.000 1.153 188 H CA -0.521 55.492 56.048 -0.058 0.000 1.193 188 H CB 1.494 31.210 29.762 -0.077 0.000 1.602 188 H HN 0.693 nan 8.280 nan 0.000 0.523 189 F N -1.721 118.311 119.950 0.137 0.000 2.725 189 F HA 0.421 4.948 4.527 -0.000 0.000 0.309 189 F C -1.308 174.584 175.800 0.155 0.000 1.132 189 F CA -0.897 57.144 58.000 0.069 0.000 0.957 189 F CB 0.868 39.852 39.000 -0.026 0.000 1.286 189 F HN 0.211 nan 8.300 nan 0.000 0.440 190 T N 3.032 117.785 114.554 0.333 0.000 2.824 190 T HA 0.680 5.030 4.350 -0.000 0.000 0.280 190 T C -1.894 173.133 174.700 0.546 0.000 0.995 190 T CA -0.281 62.020 62.100 0.336 0.000 1.009 190 T CB 1.219 70.159 68.868 0.121 0.000 0.955 190 T HN 0.633 nan 8.240 nan 0.000 0.452 191 F N 3.053 123.246 119.950 0.404 0.000 2.630 191 F HA 0.373 4.900 4.527 -0.000 0.000 0.325 191 F C -0.164 175.834 175.800 0.329 0.000 1.184 191 F CA -1.456 56.738 58.000 0.325 0.000 1.011 191 F CB 0.985 40.070 39.000 0.142 0.000 1.268 191 F HN 0.646 nan 8.300 nan 0.000 0.480 192 K N 4.712 125.006 120.400 -0.177 0.000 3.150 192 K HA -0.257 4.063 4.320 -0.000 0.000 0.267 192 K C -0.176 176.396 176.600 -0.047 0.000 1.028 192 K CA 1.240 57.381 56.287 -0.242 0.000 0.753 192 K CB -1.149 31.046 32.500 -0.507 0.000 1.288 192 K HN 0.895 nan 8.250 nan 0.000 0.473 193 D N -1.310 119.123 120.400 0.055 0.000 3.079 193 D HA -0.183 4.457 4.640 -0.000 0.000 0.214 193 D C -0.609 175.728 176.300 0.060 0.000 1.145 193 D CA 1.601 55.639 54.000 0.064 0.000 0.958 193 D CB -0.352 40.447 40.800 -0.002 0.000 1.117 193 D HN 0.400 nan 8.370 nan 0.000 0.416 194 L N 0.340 121.638 121.223 0.125 0.000 2.329 194 L HA 0.447 4.786 4.340 -0.000 0.000 0.279 194 L C 0.291 177.265 176.870 0.173 0.000 1.014 194 L CA -0.787 54.046 54.840 -0.011 0.000 0.814 194 L CB 1.693 43.597 42.059 -0.257 0.000 1.257 194 L HN 0.067 nan 8.230 nan 0.000 0.424 195 H N 3.170 122.125 119.070 -0.192 0.000 2.640 195 H HA 0.310 4.866 4.556 -0.000 0.000 0.297 195 H C -1.046 174.113 175.328 -0.281 0.000 1.073 195 H CA -0.634 55.337 56.048 -0.128 0.000 1.305 195 H CB 0.916 30.614 29.762 -0.108 0.000 1.404 195 H HN 0.293 nan 8.280 nan 0.000 0.459 196 F N 3.127 122.896 119.950 -0.301 0.000 2.404 196 F HA 0.247 4.774 4.527 -0.000 0.000 0.339 196 F C 0.406 175.983 175.800 -0.371 0.000 1.105 196 F CA -0.795 56.913 58.000 -0.486 0.000 1.087 196 F CB 1.024 39.317 39.000 -1.179 0.000 1.143 196 F HN 0.265 nan 8.300 nan 0.000 0.491 197 K N 5.071 125.454 120.400 -0.028 0.000 2.521 197 K HA 0.352 4.672 4.320 -0.000 0.000 0.248 197 K C -0.850 175.606 176.600 -0.240 0.000 0.978 197 K CA -0.301 55.934 56.287 -0.087 0.000 0.947 197 K CB 1.982 34.526 32.500 0.075 0.000 1.165 197 K HN 0.749 nan 8.250 nan 0.000 0.445 198 M N 3.573 122.951 119.600 -0.371 0.000 2.205 198 M HA 0.455 4.935 4.480 -0.000 0.000 0.344 198 M C -1.487 174.546 176.300 -0.445 0.000 1.085 198 M CA -0.660 54.517 55.300 -0.206 0.000 1.001 198 M CB 0.626 33.235 32.600 0.014 0.000 1.626 198 M HN 0.357 nan 8.290 nan 0.000 0.442 199 F N 2.926 122.886 119.950 0.017 0.000 2.427 199 F HA 0.302 4.829 4.527 -0.000 0.000 0.348 199 F C 0.024 175.832 175.800 0.013 0.000 1.125 199 F CA -0.867 57.133 58.000 0.000 0.000 0.989 199 F CB 1.051 40.046 39.000 -0.007 0.000 1.165 199 F HN 0.461 nan 8.300 nan 0.000 0.442 200 D N 3.894 124.391 120.400 0.163 0.000 2.339 200 D HA 0.279 4.919 4.640 -0.000 0.000 0.241 200 D C -0.950 175.438 176.300 0.147 0.000 1.183 200 D CA 0.102 54.172 54.000 0.116 0.000 0.859 200 D CB 1.111 41.954 40.800 0.072 0.000 1.067 200 D HN 0.204 nan 8.370 nan 0.000 0.484 201 V N 4.247 124.247 119.914 0.145 0.000 2.417 201 V HA 0.645 4.765 4.120 -0.000 0.000 0.291 201 V C 1.160 177.351 176.094 0.162 0.000 1.024 201 V CA -0.445 61.957 62.300 0.171 0.000 0.861 201 V CB 1.390 33.317 31.823 0.172 0.000 0.985 201 V HN 0.656 nan 8.190 nan 0.000 0.436 202 G N 3.235 112.140 108.800 0.175 0.000 3.227 202 G HA2 0.489 4.448 3.960 -0.000 0.000 0.171 202 G HA3 0.489 4.448 3.960 -0.000 0.000 0.171 202 G C 0.819 175.823 174.900 0.174 0.000 1.463 202 G CA 0.204 45.395 45.100 0.152 0.000 1.016 202 G HN 0.913 nan 8.290 nan 0.000 0.594 203 G N -0.124 108.772 108.800 0.160 0.000 3.575 203 G HA2 0.307 4.266 3.960 -0.000 0.000 0.273 203 G HA3 0.307 4.266 3.960 -0.000 0.000 0.273 203 G C 0.584 175.599 174.900 0.192 0.000 1.053 203 G CA -0.010 45.186 45.100 0.160 0.000 0.803 203 G HN 0.536 nan 8.290 nan 0.000 0.528 204 Q N 1.033 120.968 119.800 0.226 0.000 2.432 204 Q HA 0.110 4.450 4.340 -0.000 0.000 0.264 204 Q C -0.157 176.033 176.000 0.318 0.000 1.035 204 Q CA 0.005 55.936 55.803 0.213 0.000 0.908 204 Q CB 0.663 29.501 28.738 0.166 0.000 1.280 204 Q HN 0.553 nan 8.270 nan 0.000 0.455 205 R N 0.333 120.974 120.500 0.234 0.000 2.346 205 R HA 0.736 5.076 4.340 -0.000 0.000 0.311 205 R C -0.778 175.627 176.300 0.175 0.000 0.983 205 R CA -0.623 55.647 56.100 0.283 0.000 0.880 205 R CB 1.186 31.595 30.300 0.182 0.000 1.100 205 R HN 0.586 nan 8.270 nan 0.000 0.453 206 S N 1.152 116.960 115.700 0.180 0.000 2.697 206 S HA 0.287 4.757 4.470 -0.000 0.000 0.289 206 S C -0.981 173.527 174.600 -0.154 0.000 1.149 206 S CA -1.081 56.995 58.200 -0.207 0.000 0.850 206 S CB 1.719 64.413 63.200 -0.843 0.000 1.151 206 S HN 0.554 nan 8.310 nan 0.000 0.491 207 E N 1.213 121.287 120.200 -0.210 0.000 2.373 207 E HA 0.162 4.512 4.350 -0.000 0.000 0.267 207 E C 0.908 177.442 176.600 -0.111 0.000 1.032 207 E CA -0.029 56.309 56.400 -0.103 0.000 0.889 207 E CB 0.511 30.156 29.700 -0.092 0.000 0.984 207 E HN 0.467 nan 8.360 nan 0.000 0.425 208 R N 2.273 122.795 120.500 0.036 0.000 2.140 208 R HA -0.226 4.114 4.340 -0.000 0.000 0.250 208 R C 1.952 178.263 176.300 0.019 0.000 1.150 208 R CA 1.804 57.972 56.100 0.113 0.000 0.966 208 R CB -0.122 30.216 30.300 0.064 0.000 0.869 208 R HN 0.445 nan 8.270 nan 0.000 0.445 209 K N 0.580 120.944 120.400 -0.060 0.000 2.063 209 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 209 K C 2.072 178.583 176.600 -0.149 0.000 1.048 209 K CA 1.321 57.533 56.287 -0.124 0.000 0.928 209 K CB -0.180 32.277 32.500 -0.071 0.000 0.713 209 K HN 0.161 nan 8.250 nan 0.000 0.442 210 K N 0.175 120.485 120.400 -0.149 0.000 2.147 210 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 210 K C 1.769 178.277 176.600 -0.154 0.000 1.049 210 K CA 1.264 57.437 56.287 -0.191 0.000 0.936 210 K CB -0.059 32.194 32.500 -0.412 0.000 0.722 210 K HN 0.276 nan 8.250 nan 0.000 0.446 211 W N 0.624 121.946 121.300 0.036 0.000 2.436 211 W HA -0.097 4.563 4.660 -0.000 0.000 0.284 211 W C 1.706 178.325 176.519 0.167 0.000 1.225 211 W CA -0.446 56.996 57.345 0.161 0.000 1.271 211 W CB 0.104 29.690 29.460 0.211 0.000 1.114 211 W HN 0.032 nan 8.180 nan 0.000 0.559 212 I N -0.051 120.602 120.570 0.138 0.000 2.179 212 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 212 I C 2.283 178.367 176.117 -0.055 0.000 1.088 212 I CA 1.765 63.020 61.300 -0.074 0.000 1.357 212 I CB -1.714 36.088 38.000 -0.331 0.000 1.051 212 I HN 0.147 nan 8.210 nan 0.000 0.409 213 H N -0.299 118.792 119.070 0.035 0.000 2.357 213 H HA -0.143 4.413 4.556 -0.000 0.000 0.301 213 H C 2.539 177.839 175.328 -0.046 0.000 1.082 213 H CA 1.605 57.642 56.048 -0.018 0.000 1.342 213 H CB -0.748 28.971 29.762 -0.070 0.000 1.389 213 H HN 0.396 nan 8.280 nan 0.000 0.511 214 C N 0.878 120.204 119.300 0.044 0.000 2.413 214 C HA -0.172 4.287 4.460 -0.000 0.000 0.276 214 C C 2.496 177.364 174.990 -0.203 0.000 1.236 214 C CA 0.761 59.671 59.018 -0.180 0.000 1.735 214 C CB -1.693 25.933 27.740 -0.189 0.000 2.031 214 C HN 0.365 nan 8.230 nan 0.000 0.474 215 F N 0.906 120.973 119.950 0.195 0.000 2.797 215 F HA 0.270 4.797 4.527 -0.000 0.000 0.302 215 F C 1.281 177.243 175.800 0.269 0.000 1.130 215 F CA 0.250 58.422 58.000 0.287 0.000 1.387 215 F CB -0.277 38.940 39.000 0.361 0.000 1.107 215 F HN 0.317 nan 8.300 nan 0.000 0.577 216 E N -0.097 120.269 120.200 0.277 0.000 2.313 216 E HA 0.371 4.721 4.350 -0.000 0.000 0.272 216 E C 0.927 177.653 176.600 0.211 0.000 1.038 216 E CA 0.080 56.621 56.400 0.237 0.000 0.863 216 E CB 0.986 30.780 29.700 0.156 0.000 1.060 216 E HN 0.239 nan 8.360 nan 0.000 0.402 217 G N 1.633 110.563 108.800 0.218 0.000 2.323 217 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.292 217 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.292 217 G C -0.019 174.977 174.900 0.161 0.000 1.040 217 G CA 0.031 45.231 45.100 0.167 0.000 0.942 217 G HN 0.310 nan 8.290 nan 0.000 0.506 218 V N 0.477 120.516 119.914 0.209 0.000 2.406 218 V HA 0.348 4.468 4.120 -0.000 0.000 0.272 218 V C 1.648 177.826 176.094 0.139 0.000 1.043 218 V CA 0.559 62.965 62.300 0.176 0.000 0.915 218 V CB 1.306 33.250 31.823 0.202 0.000 0.988 218 V HN 0.437 nan 8.190 nan 0.000 0.466 219 T N 3.332 117.942 114.554 0.094 0.000 2.942 219 T HA 0.257 4.607 4.350 -0.000 0.000 0.265 219 T C 0.545 175.281 174.700 0.059 0.000 1.062 219 T CA 1.193 63.328 62.100 0.059 0.000 1.139 219 T CB 0.202 69.077 68.868 0.012 0.000 0.883 219 T HN 0.882 nan 8.240 nan 0.000 0.468 220 A N 0.304 123.164 122.820 0.067 0.000 2.577 220 A HA 0.681 5.001 4.320 -0.000 0.000 0.297 220 A C -1.641 175.967 177.584 0.041 0.000 1.060 220 A CA -0.779 51.289 52.037 0.051 0.000 0.697 220 A CB 1.026 20.049 19.000 0.038 0.000 1.281 220 A HN 0.272 nan 8.150 nan 0.000 0.402 221 I N 2.137 122.712 120.570 0.008 0.000 2.433 221 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 221 I C -0.793 175.341 176.117 0.029 0.000 1.001 221 I CA -0.508 60.788 61.300 -0.008 0.000 1.119 221 I CB 1.799 39.729 38.000 -0.116 0.000 1.289 221 I HN 0.520 nan 8.210 nan 0.000 0.438 222 I N 6.246 126.815 120.570 -0.003 0.000 2.355 222 I HA 0.248 4.417 4.170 -0.000 0.000 0.288 222 I C -0.797 175.327 176.117 0.011 0.000 0.999 222 I CA -0.494 60.735 61.300 -0.117 0.000 1.163 222 I CB 1.235 38.992 38.000 -0.404 0.000 1.316 222 I HN 0.374 nan 8.210 nan 0.000 0.454 223 F N 7.052 126.978 119.950 -0.040 0.000 2.410 223 F HA 0.432 4.959 4.527 -0.000 0.000 0.349 223 F C -0.040 175.745 175.800 -0.025 0.000 1.117 223 F CA -0.723 57.299 58.000 0.036 0.000 1.104 223 F CB 0.626 39.757 39.000 0.220 0.000 1.122 223 F HN 0.360 nan 8.300 nan 0.000 0.483 224 C N 5.901 124.829 119.300 -0.620 0.000 2.330 224 C HA 0.754 5.214 4.460 -0.000 0.000 0.344 224 C C -0.270 174.332 174.990 -0.647 0.000 1.273 224 C CA -0.934 57.821 59.018 -0.439 0.000 1.879 224 C CB 0.489 28.092 27.740 -0.228 0.000 2.376 224 C HN 0.580 nan 8.230 nan 0.000 0.534 225 V N 2.800 122.476 119.914 -0.396 0.000 2.588 225 V HA 0.635 4.755 4.120 -0.000 0.000 0.304 225 V C 0.242 176.223 176.094 -0.190 0.000 1.042 225 V CA -0.411 61.692 62.300 -0.328 0.000 0.877 225 V CB 1.802 33.356 31.823 -0.448 0.000 0.996 225 V HN 1.010 nan 8.190 nan 0.000 0.425 226 A N 4.751 127.512 122.820 -0.099 0.000 2.527 226 A HA 0.494 4.814 4.320 -0.000 0.000 0.313 226 A C 1.075 178.659 177.584 0.001 0.000 1.410 226 A CA -0.220 51.799 52.037 -0.030 0.000 1.060 226 A CB -0.183 18.822 19.000 0.009 0.000 1.137 226 A HN 0.932 nan 8.150 nan 0.000 0.542 227 L N 2.200 123.389 121.223 -0.056 0.000 2.043 227 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 227 L C 2.752 179.729 176.870 0.179 0.000 1.075 227 L CA 2.025 56.785 54.840 -0.133 0.000 0.752 227 L CB -0.255 41.567 42.059 -0.396 0.000 0.891 227 L HN 0.848 nan 8.230 nan 0.000 0.432 228 S N -1.870 114.009 115.700 0.298 0.000 2.595 228 S HA -0.132 4.337 4.470 -0.000 0.000 0.235 228 S C 1.203 175.999 174.600 0.328 0.000 0.974 228 S CA 0.887 59.361 58.200 0.456 0.000 0.942 228 S CB -0.366 63.008 63.200 0.291 0.000 0.766 228 S HN 0.362 nan 8.310 nan 0.000 0.536 229 D N 1.149 121.693 120.400 0.239 0.000 2.347 229 D HA 0.040 4.680 4.640 -0.000 0.000 0.213 229 D C 1.474 177.850 176.300 0.126 0.000 0.985 229 D CA 0.488 54.566 54.000 0.129 0.000 0.879 229 D CB -0.410 40.450 40.800 0.101 0.000 0.919 229 D HN 0.748 nan 8.370 nan 0.000 0.526 230 Y N 1.456 121.824 120.300 0.113 0.000 2.139 230 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 230 Y C 1.359 177.303 175.900 0.074 0.000 1.179 230 Y CA 1.674 59.838 58.100 0.107 0.000 1.161 230 Y CB -0.819 37.769 38.460 0.214 0.000 0.970 230 Y HN -0.046 nan 8.280 nan 0.000 0.511 231 D N 0.437 120.332 120.400 -0.842 0.000 2.363 231 D HA 0.044 4.684 4.640 -0.000 0.000 0.214 231 D C 0.092 176.201 176.300 -0.319 0.000 1.093 231 D CA -0.206 53.393 54.000 -0.669 0.000 0.837 231 D CB -0.641 39.538 40.800 -1.036 0.000 0.948 231 D HN 0.444 nan 8.370 nan 0.000 0.507 232 L N 1.426 122.522 121.223 -0.213 0.000 2.513 232 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 232 L C 0.961 177.780 176.870 -0.085 0.000 1.187 232 L CA -0.348 54.415 54.840 -0.129 0.000 0.895 232 L CB 1.031 43.045 42.059 -0.074 0.000 1.147 232 L HN -0.174 nan 8.230 nan 0.000 0.483 241 N N 3.658 122.349 118.700 -0.014 0.000 1.714 241 N HA -0.137 4.603 4.740 -0.000 0.000 0.351 241 N C 0.665 176.240 175.510 0.108 0.000 1.210 241 N CA 0.854 53.947 53.050 0.071 0.000 0.786 241 N CB 0.675 39.292 38.487 0.217 0.000 0.995 241 N HN 0.735 nan 8.380 nan 0.000 0.514 242 R N 1.996 122.546 120.500 0.083 0.000 2.092 242 R HA -0.151 4.188 4.340 -0.000 0.000 0.231 242 R C 1.901 178.272 176.300 0.117 0.000 1.119 242 R CA 1.188 57.341 56.100 0.089 0.000 0.970 242 R CB -0.133 30.207 30.300 0.067 0.000 0.864 242 R HN 0.570 nan 8.270 nan 0.000 0.440 243 M N -0.303 119.360 119.600 0.106 0.000 2.159 243 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 243 M C 1.424 177.724 176.300 0.000 0.000 1.063 243 M CA 1.869 57.222 55.300 0.089 0.000 1.110 243 M CB -0.218 32.385 32.600 0.005 0.000 1.374 243 M HN 0.111 nan 8.290 nan 0.000 0.411 244 H N -0.376 118.687 119.070 -0.012 0.000 2.428 244 H HA -0.003 4.553 4.556 -0.000 0.000 0.296 244 H C 1.961 177.302 175.328 0.021 0.000 1.062 244 H CA 1.497 57.526 56.048 -0.032 0.000 1.350 244 H CB 0.001 29.731 29.762 -0.054 0.000 1.403 244 H HN 0.377 nan 8.280 nan 0.000 0.533 245 E N 0.007 120.302 120.200 0.159 0.000 2.077 245 E HA -0.170 4.179 4.350 -0.000 0.000 0.193 245 E C 2.385 179.095 176.600 0.183 0.000 0.989 245 E CA 1.039 57.523 56.400 0.140 0.000 0.800 245 E CB -0.377 29.399 29.700 0.126 0.000 0.746 245 E HN 0.292 nan 8.360 nan 0.000 0.452 246 S N 0.086 115.929 115.700 0.240 0.000 2.368 246 S HA -0.116 4.353 4.470 -0.000 0.000 0.225 246 S C 2.050 176.926 174.600 0.460 0.000 1.030 246 S CA 1.095 59.555 58.200 0.433 0.000 0.999 246 S CB -0.070 63.415 63.200 0.475 0.000 0.844 246 S HN 0.147 nan 8.310 nan 0.000 0.459 247 M N 0.932 120.601 119.600 0.116 0.000 2.117 247 M HA -0.107 4.373 4.480 -0.000 0.000 0.262 247 M C 2.292 178.591 176.300 -0.002 0.000 1.065 247 M CA 1.630 56.797 55.300 -0.222 0.000 1.114 247 M CB -0.341 31.933 32.600 -0.544 0.000 1.361 247 M HN 0.269 nan 8.290 nan 0.000 0.408 248 K N 0.566 120.987 120.400 0.036 0.000 2.032 248 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 248 K C 1.805 178.416 176.600 0.018 0.000 1.048 248 K CA 1.430 57.735 56.287 0.030 0.000 0.927 248 K CB -0.067 32.465 32.500 0.053 0.000 0.712 248 K HN 0.108 nan 8.250 nan 0.000 0.441 249 L N 0.559 121.829 121.223 0.078 0.000 1.989 249 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 249 L C 2.269 179.015 176.870 -0.208 0.000 1.071 249 L CA 1.608 56.466 54.840 0.029 0.000 0.749 249 L CB -1.051 41.168 42.059 0.266 0.000 0.890 249 L HN 0.219 nan 8.230 nan 0.000 0.431 250 F N 0.625 120.264 119.950 -0.518 0.000 2.161 250 F HA -0.269 4.258 4.527 -0.000 0.000 0.300 250 F C 2.463 178.088 175.800 -0.292 0.000 1.089 250 F CA 1.811 59.397 58.000 -0.690 0.000 1.282 250 F CB -0.398 38.405 39.000 -0.328 0.000 1.010 250 F HN 0.258 nan 8.300 nan 0.000 0.485 251 D N -0.144 120.141 120.400 -0.192 0.000 2.104 251 D HA -0.213 4.427 4.640 -0.000 0.000 0.194 251 D C 2.390 178.541 176.300 -0.249 0.000 0.994 251 D CA 1.935 55.808 54.000 -0.211 0.000 0.830 251 D CB -0.353 40.392 40.800 -0.092 0.000 0.959 251 D HN 0.425 nan 8.370 nan 0.000 0.452 252 S N -0.368 115.214 115.700 -0.197 0.000 2.447 252 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 252 S C 2.149 176.656 174.600 -0.155 0.000 1.006 252 S CA 0.461 58.566 58.200 -0.158 0.000 0.957 252 S CB -0.219 62.903 63.200 -0.130 0.000 0.773 252 S HN 0.223 nan 8.310 nan 0.000 0.507 253 I N 1.263 121.679 120.570 -0.258 0.000 2.270 253 I HA -0.030 4.140 4.170 -0.000 0.000 0.239 253 I C 2.886 178.883 176.117 -0.199 0.000 1.080 253 I CA 0.619 61.802 61.300 -0.194 0.000 1.383 253 I CB -1.773 36.013 38.000 -0.357 0.000 1.097 253 I HN 0.494 nan 8.210 nan 0.000 0.420 254 C N 2.344 121.309 119.300 -0.559 0.000 2.401 254 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 254 C C 2.322 177.196 174.990 -0.194 0.000 1.233 254 C CA 1.268 59.991 59.018 -0.492 0.000 1.753 254 C CB -1.227 25.991 27.740 -0.869 0.000 2.029 254 C HN 0.505 nan 8.230 nan 0.000 0.478 255 N N 0.771 119.369 118.700 -0.170 0.000 2.336 255 N HA 0.032 4.772 4.740 -0.000 0.000 0.189 255 N C -0.024 175.452 175.510 -0.057 0.000 1.113 255 N CA 0.104 53.097 53.050 -0.094 0.000 0.858 255 N CB -0.551 37.876 38.487 -0.100 0.000 0.970 255 N HN 0.610 nan 8.380 nan 0.000 0.471 256 N N 2.365 121.054 118.700 -0.018 0.000 2.475 256 N HA -0.024 4.715 4.740 -0.000 0.000 0.267 256 N C 1.235 176.692 175.510 -0.087 0.000 1.169 256 N CA 0.072 53.082 53.050 -0.065 0.000 0.947 256 N CB 1.077 39.485 38.487 -0.131 0.000 1.061 256 N HN 0.235 nan 8.380 nan 0.000 0.466 257 K N 2.656 122.995 120.400 -0.102 0.000 2.127 257 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 257 K C 0.893 177.325 176.600 -0.280 0.000 1.047 257 K CA 1.372 57.557 56.287 -0.169 0.000 0.927 257 K CB -0.221 32.163 32.500 -0.192 0.000 0.716 257 K HN 0.504 nan 8.250 nan 0.000 0.450 258 W N -0.052 121.033 121.300 -0.358 0.000 3.204 258 W HA 0.138 4.798 4.660 -0.000 0.000 0.249 258 W C 0.244 176.548 176.519 -0.357 0.000 1.322 258 W CA -0.136 56.973 57.345 -0.393 0.000 1.593 258 W CB 0.056 29.215 29.460 -0.501 0.000 1.122 258 W HN 0.013 nan 8.180 nan 0.000 0.710 259 F N -1.675 118.338 119.950 0.104 0.000 2.735 259 F HA 0.174 4.701 4.527 -0.000 0.000 0.308 259 F C 1.781 177.599 175.800 0.029 0.000 1.112 259 F CA -0.549 57.502 58.000 0.086 0.000 1.235 259 F CB -0.851 38.189 39.000 0.068 0.000 1.027 259 F HN -0.339 nan 8.300 nan 0.000 0.528 260 T N -0.600 114.015 114.554 0.102 0.000 2.778 260 T HA -0.241 4.109 4.350 -0.000 0.000 0.269 260 T C 1.355 176.090 174.700 0.058 0.000 1.050 260 T CA 2.086 64.206 62.100 0.033 0.000 1.137 260 T CB -0.138 68.690 68.868 -0.067 0.000 0.860 260 T HN 0.137 nan 8.240 nan 0.000 0.468 261 D N 0.446 120.894 120.400 0.080 0.000 2.462 261 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 261 D C -0.412 175.961 176.300 0.121 0.000 1.173 261 D CA 0.001 54.049 54.000 0.080 0.000 0.831 261 D CB 0.325 41.154 40.800 0.048 0.000 1.001 261 D HN 0.144 nan 8.370 nan 0.000 0.499 262 T N 0.065 114.721 114.554 0.171 0.000 2.795 262 T HA 0.329 4.679 4.350 -0.000 0.000 0.282 262 T C -0.027 174.758 174.700 0.141 0.000 0.980 262 T CA -0.545 61.654 62.100 0.166 0.000 1.012 262 T CB 1.566 70.570 68.868 0.226 0.000 0.936 262 T HN -0.138 nan 8.240 nan 0.000 0.457 263 S N 3.733 119.504 115.700 0.118 0.000 2.498 263 S HA 0.187 4.657 4.470 -0.000 0.000 0.281 263 S C 0.287 174.990 174.600 0.172 0.000 1.265 263 S CA -0.583 57.715 58.200 0.163 0.000 1.071 263 S CB -0.124 63.090 63.200 0.023 0.000 0.894 263 S HN 0.419 nan 8.310 nan 0.000 0.491 264 I N 4.954 125.684 120.570 0.265 0.000 2.297 264 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 264 I C 0.058 176.386 176.117 0.353 0.000 1.033 264 I CA -0.335 61.102 61.300 0.227 0.000 1.253 264 I CB 0.196 38.295 38.000 0.164 0.000 1.396 264 I HN 0.518 nan 8.210 nan 0.000 0.476 265 I N 6.830 127.565 120.570 0.276 0.000 2.404 265 I HA 0.322 4.492 4.170 -0.000 0.000 0.293 265 I C -0.524 175.743 176.117 0.250 0.000 0.992 265 I CA -0.932 60.543 61.300 0.291 0.000 1.149 265 I CB 2.311 40.420 38.000 0.182 0.000 1.315 265 I HN 0.275 nan 8.210 nan 0.000 0.446 266 L N 6.970 128.335 121.223 0.236 0.000 2.280 266 L HA 0.502 4.842 4.340 -0.000 0.000 0.287 266 L C -1.286 175.706 176.870 0.203 0.000 1.023 266 L CA 0.013 54.903 54.840 0.084 0.000 0.819 266 L CB 0.683 42.621 42.059 -0.202 0.000 1.212 266 L HN 0.257 nan 8.230 nan 0.000 0.420 267 F N 6.247 126.120 119.950 -0.127 0.000 2.303 267 F HA 0.373 4.900 4.527 -0.000 0.000 0.368 267 F C -0.047 175.574 175.800 -0.299 0.000 1.105 267 F CA -0.899 57.012 58.000 -0.148 0.000 1.153 267 F CB 0.730 39.684 39.000 -0.077 0.000 1.362 267 F HN 0.278 nan 8.300 nan 0.000 0.511 268 L N 4.409 125.445 121.223 -0.312 0.000 2.401 268 L HA 0.160 4.500 4.340 -0.000 0.000 0.283 268 L C 0.425 177.149 176.870 -0.244 0.000 1.151 268 L CA -0.220 54.359 54.840 -0.435 0.000 0.942 268 L CB -0.237 41.361 42.059 -0.769 0.000 1.283 268 L HN 0.457 nan 8.230 nan 0.000 0.442 269 N N 2.562 121.170 118.700 -0.154 0.000 2.413 269 N HA 0.199 4.939 4.740 -0.000 0.000 0.266 269 N C 0.130 175.627 175.510 -0.023 0.000 1.238 269 N CA -0.330 52.676 53.050 -0.073 0.000 0.972 269 N CB 0.642 39.106 38.487 -0.039 0.000 1.210 269 N HN 0.327 nan 8.380 nan 0.000 0.547 270 K N -0.992 119.416 120.400 0.012 0.000 3.160 270 K HA -0.251 4.069 4.320 -0.000 0.000 0.280 270 K C 0.578 177.267 176.600 0.147 0.000 1.154 270 K CA 0.985 57.309 56.287 0.062 0.000 0.822 270 K CB -1.182 31.359 32.500 0.068 0.000 1.239 270 K HN 0.716 nan 8.250 nan 0.000 0.489 271 K N 0.468 120.965 120.400 0.162 0.000 2.211 271 K HA -0.213 4.107 4.320 -0.000 0.000 0.204 271 K C 1.354 178.092 176.600 0.229 0.000 1.047 271 K CA 1.998 58.476 56.287 0.318 0.000 0.935 271 K CB -0.081 32.633 32.500 0.356 0.000 0.728 271 K HN 0.392 nan 8.250 nan 0.000 0.452 272 D N 2.087 122.547 120.400 0.101 0.000 2.097 272 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 272 D C 2.120 178.462 176.300 0.069 0.000 0.984 272 D CA 1.005 55.022 54.000 0.029 0.000 0.826 272 D CB -0.495 40.303 40.800 -0.004 0.000 0.973 272 D HN 0.341 nan 8.370 nan 0.000 0.460 273 L N -0.834 120.458 121.223 0.116 0.000 2.093 273 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 273 L C 2.622 179.612 176.870 0.200 0.000 1.085 273 L CA 0.661 55.581 54.840 0.134 0.000 0.755 273 L CB -0.535 41.603 42.059 0.132 0.000 0.904 273 L HN -0.077 nan 8.230 nan 0.000 0.435 274 F N 1.474 121.496 119.950 0.121 0.000 2.075 274 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 274 F C 2.579 178.473 175.800 0.156 0.000 1.113 274 F CA 2.061 60.159 58.000 0.165 0.000 1.218 274 F CB -0.290 38.816 39.000 0.177 0.000 0.984 274 F HN 0.101 nan 8.300 nan 0.000 0.472 275 E N -0.170 120.081 120.200 0.085 0.000 2.097 275 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 275 E C 2.114 178.638 176.600 -0.126 0.000 1.000 275 E CA 1.634 57.971 56.400 -0.104 0.000 0.804 275 E CB -0.180 29.330 29.700 -0.317 0.000 0.740 275 E HN 0.388 nan 8.360 nan 0.000 0.454 276 E N 0.610 120.777 120.200 -0.054 0.000 2.072 276 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 276 E C 1.997 178.582 176.600 -0.024 0.000 0.985 276 E CA 1.046 57.430 56.400 -0.025 0.000 0.801 276 E CB -0.039 29.674 29.700 0.021 0.000 0.750 276 E HN 0.302 nan 8.360 nan 0.000 0.452 277 K N 0.339 120.737 120.400 -0.003 0.000 2.097 277 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 277 K C 2.125 178.739 176.600 0.024 0.000 1.050 277 K CA 0.608 56.923 56.287 0.047 0.000 0.938 277 K CB -0.173 32.439 32.500 0.187 0.000 0.718 277 K HN 0.008 nan 8.250 nan 0.000 0.442 278 I N 2.233 122.690 120.570 -0.188 0.000 2.530 278 I HA -0.238 3.932 4.170 -0.000 0.000 0.257 278 I C 1.430 177.488 176.117 -0.098 0.000 1.179 278 I CA 1.503 62.645 61.300 -0.263 0.000 1.440 278 I CB -0.050 37.563 38.000 -0.645 0.000 1.087 278 I HN 0.031 nan 8.210 nan 0.000 0.440 279 K N -0.195 120.164 120.400 -0.069 0.000 2.211 279 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 279 K C 1.714 178.311 176.600 -0.004 0.000 1.050 279 K CA 1.135 57.404 56.287 -0.030 0.000 0.945 279 K CB 0.050 32.535 32.500 -0.026 0.000 0.732 279 K HN 0.329 nan 8.250 nan 0.000 0.451 280 K N -0.976 119.428 120.400 0.007 0.000 2.474 280 K HA 0.114 4.434 4.320 -0.000 0.000 0.202 280 K C 0.179 176.799 176.600 0.034 0.000 1.248 280 K CA -0.032 56.264 56.287 0.015 0.000 0.946 280 K CB 1.298 33.800 32.500 0.002 0.000 1.102 280 K HN -0.182 nan 8.250 nan 0.000 0.541 281 S N 3.198 118.940 115.700 0.069 0.000 2.498 281 S HA 0.310 4.780 4.470 -0.000 0.000 0.324 281 S C -2.665 172.070 174.600 0.225 0.000 1.071 281 S CA -2.005 56.257 58.200 0.103 0.000 1.113 281 S CB 0.743 63.969 63.200 0.043 0.000 0.976 281 S HN -0.048 nan 8.310 nan 0.000 0.462 282 P HA 0.061 nan 4.420 nan 0.000 0.271 282 P C 0.940 178.441 177.300 0.335 0.000 1.216 282 P CA -0.498 62.727 63.100 0.209 0.000 0.776 282 P CB 0.819 32.607 31.700 0.148 0.000 0.881 283 L N 4.296 125.681 121.223 0.269 0.000 2.187 283 L HA -0.170 4.170 4.340 -0.000 0.000 0.213 283 L C 2.327 179.392 176.870 0.326 0.000 1.100 283 L CA 2.724 57.724 54.840 0.265 0.000 0.765 283 L CB -1.720 40.270 42.059 -0.116 0.000 0.904 283 L HN 0.509 nan 8.230 nan 0.000 0.437 284 T N -3.181 111.553 114.554 0.300 0.000 2.869 284 T HA -0.251 4.099 4.350 -0.000 0.000 0.270 284 T C 1.949 176.775 174.700 0.209 0.000 1.082 284 T CA 1.729 63.991 62.100 0.271 0.000 1.123 284 T CB -0.922 68.069 68.868 0.204 0.000 0.856 284 T HN 0.448 nan 8.240 nan 0.000 0.499 285 I N 0.209 120.893 120.570 0.190 0.000 2.361 285 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 285 I C 2.913 179.087 176.117 0.096 0.000 1.133 285 I CA 1.024 62.389 61.300 0.109 0.000 1.413 285 I CB -0.407 37.622 38.000 0.049 0.000 1.073 285 I HN 0.473 nan 8.210 nan 0.000 0.424 286 C N -0.411 118.987 119.300 0.162 0.000 2.541 286 C HA 0.003 4.463 4.460 -0.000 0.000 0.284 286 C C 0.790 175.742 174.990 -0.064 0.000 1.341 286 C CA -0.023 59.017 59.018 0.037 0.000 1.732 286 C CB -0.370 27.424 27.740 0.091 0.000 2.126 286 C HN 0.343 nan 8.230 nan 0.000 0.505 287 Y N 1.711 122.181 120.300 0.282 0.000 2.686 287 Y HA 0.345 4.894 4.550 -0.000 0.000 0.331 287 Y C -1.589 174.453 175.900 0.237 0.000 0.996 287 Y CA -2.338 55.942 58.100 0.300 0.000 1.293 287 Y CB 0.564 39.245 38.460 0.370 0.000 1.092 287 Y HN 0.272 nan 8.280 nan 0.000 0.524 288 P HA -0.201 nan 4.420 nan 0.000 0.225 288 P C 0.895 178.307 177.300 0.188 0.000 1.148 288 P CA 1.411 64.628 63.100 0.195 0.000 0.779 288 P CB 0.507 32.279 31.700 0.121 0.000 0.780 289 E N -0.589 119.754 120.200 0.239 0.000 2.447 289 E HA -0.117 4.232 4.350 -0.000 0.000 0.195 289 E C 0.435 177.128 176.600 0.155 0.000 1.028 289 E CA -0.462 56.046 56.400 0.180 0.000 0.876 289 E CB -1.234 28.582 29.700 0.192 0.000 0.885 289 E HN 0.218 nan 8.360 nan 0.000 0.500 290 Y N 1.868 122.187 120.300 0.031 0.000 2.721 290 Y HA 0.164 4.714 4.550 -0.000 0.000 0.329 290 Y C 0.949 176.752 175.900 -0.161 0.000 1.211 290 Y CA 0.538 58.501 58.100 -0.229 0.000 1.512 290 Y CB 0.771 39.040 38.460 -0.318 0.000 1.249 290 Y HN 0.066 nan 8.280 nan 0.000 0.549 291 A N 5.025 127.382 122.820 -0.771 0.000 2.508 291 A HA 0.416 4.736 4.320 -0.000 0.000 0.257 291 A C 1.067 178.185 177.584 -0.778 0.000 1.226 291 A CA 0.283 51.967 52.037 -0.588 0.000 0.947 291 A CB -0.603 18.226 19.000 -0.284 0.000 1.079 291 A HN 0.921 nan 8.150 nan 0.000 0.531 292 G N 0.284 108.152 108.800 -1.554 0.000 2.553 292 G HA2 0.409 4.369 3.960 -0.000 0.000 0.278 292 G HA3 0.409 4.369 3.960 -0.000 0.000 0.278 292 G C 0.543 175.184 174.900 -0.431 0.000 1.349 292 G CA 0.458 45.042 45.100 -0.860 0.000 1.037 292 G HN 0.719 nan 8.290 nan 0.000 0.508 293 S N -1.222 114.430 115.700 -0.080 0.000 2.655 293 S HA 0.218 4.688 4.470 -0.000 0.000 0.265 293 S C 0.473 175.161 174.600 0.147 0.000 1.240 293 S CA -0.738 57.475 58.200 0.021 0.000 0.986 293 S CB 1.208 64.416 63.200 0.013 0.000 0.985 293 S HN 0.424 nan 8.310 nan 0.000 0.562 294 N N 1.623 120.380 118.700 0.095 0.000 2.455 294 N HA 0.151 4.890 4.740 -0.000 0.000 0.258 294 N C -0.097 175.431 175.510 0.030 0.000 1.158 294 N CA 0.055 53.154 53.050 0.082 0.000 0.893 294 N CB 0.096 38.620 38.487 0.062 0.000 1.173 294 N HN 0.839 nan 8.380 nan 0.000 0.503 295 T N -2.808 111.772 114.554 0.044 0.000 2.882 295 T HA 0.070 4.420 4.350 -0.000 0.000 0.287 295 T C 1.357 176.083 174.700 0.042 0.000 1.014 295 T CA -0.605 61.520 62.100 0.041 0.000 1.049 295 T CB 1.243 70.138 68.868 0.045 0.000 1.001 295 T HN 0.202 nan 8.240 nan 0.000 0.525 296 Y N 1.672 121.936 120.300 -0.059 0.000 2.128 296 Y HA -0.148 4.402 4.550 -0.000 0.000 0.284 296 Y C 2.182 178.107 175.900 0.041 0.000 1.154 296 Y CA 2.099 60.173 58.100 -0.044 0.000 1.149 296 Y CB -0.597 37.836 38.460 -0.045 0.000 0.976 296 Y HN 0.780 nan 8.280 nan 0.000 0.505 297 E N 0.693 120.836 120.200 -0.095 0.000 2.033 297 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 297 E C 2.227 178.728 176.600 -0.164 0.000 1.011 297 E CA 2.034 58.310 56.400 -0.208 0.000 0.815 297 E CB -0.440 29.236 29.700 -0.040 0.000 0.755 297 E HN 0.624 nan 8.360 nan 0.000 0.451 298 E N -0.188 119.990 120.200 -0.035 0.000 2.051 298 E HA -0.197 4.152 4.350 -0.000 0.000 0.192 298 E C 2.058 178.696 176.600 0.063 0.000 0.991 298 E CA 0.971 57.400 56.400 0.049 0.000 0.799 298 E CB -0.173 29.601 29.700 0.123 0.000 0.748 298 E HN 0.266 nan 8.360 nan 0.000 0.449 299 A N 1.393 124.225 122.820 0.019 0.000 1.883 299 A HA -0.165 4.154 4.320 -0.000 0.000 0.217 299 A C 2.372 179.969 177.584 0.022 0.000 1.186 299 A CA 1.910 53.933 52.037 -0.025 0.000 0.624 299 A CB -0.658 18.372 19.000 0.049 0.000 0.822 299 A HN 0.324 nan 8.150 nan 0.000 0.444 300 A N -0.142 122.645 122.820 -0.055 0.000 1.877 300 A HA 0.140 4.460 4.320 -0.000 0.000 0.216 300 A C 2.538 180.111 177.584 -0.019 0.000 1.186 300 A CA 2.247 54.188 52.037 -0.160 0.000 0.620 300 A CB -1.133 17.516 19.000 -0.585 0.000 0.822 300 A HN 1.135 nan 8.150 nan 0.000 0.443 301 A N -1.685 121.099 122.820 -0.060 0.000 1.940 301 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 301 A C 2.155 179.779 177.584 0.066 0.000 1.176 301 A CA 1.799 53.855 52.037 0.030 0.000 0.631 301 A CB -0.809 18.199 19.000 0.013 0.000 0.814 301 A HN 0.707 nan 8.150 nan 0.000 0.446 302 Y N 0.368 120.629 120.300 -0.065 0.000 2.163 302 Y HA -0.156 4.394 4.550 -0.000 0.000 0.288 302 Y C 2.069 177.862 175.900 -0.180 0.000 1.136 302 Y CA 1.703 59.736 58.100 -0.112 0.000 1.147 302 Y CB -0.234 38.114 38.460 -0.188 0.000 0.987 302 Y HN 0.274 nan 8.280 nan 0.000 0.509 303 I N 0.155 120.669 120.570 -0.095 0.000 2.226 303 I HA -0.368 3.802 4.170 -0.000 0.000 0.245 303 I C 2.594 178.697 176.117 -0.024 0.000 1.100 303 I CA 1.895 63.143 61.300 -0.087 0.000 1.374 303 I CB -0.586 37.393 38.000 -0.036 0.000 1.057 303 I HN 0.343 nan 8.210 nan 0.000 0.413 304 Q N 0.450 120.225 119.800 -0.042 0.000 2.061 304 Q HA -0.303 4.037 4.340 -0.000 0.000 0.204 304 Q C 2.545 178.518 176.000 -0.045 0.000 0.984 304 Q CA 2.407 58.175 55.803 -0.058 0.000 0.846 304 Q CB -0.359 28.406 28.738 0.046 0.000 0.902 304 Q HN 0.626 nan 8.270 nan 0.000 0.421 305 C N 0.827 120.062 119.300 -0.108 0.000 2.429 305 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 305 C C 2.694 177.562 174.990 -0.203 0.000 1.262 305 C CA 1.113 60.040 59.018 -0.153 0.000 1.733 305 C CB -0.778 26.841 27.740 -0.203 0.000 2.010 305 C HN 0.606 nan 8.230 nan 0.000 0.483 306 Q N -0.257 119.341 119.800 -0.338 0.000 2.124 306 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 306 Q C 1.898 177.790 176.000 -0.180 0.000 0.977 306 Q CA 1.747 57.344 55.803 -0.343 0.000 0.850 306 Q CB -0.702 27.726 28.738 -0.518 0.000 0.901 306 Q HN 0.769 nan 8.270 nan 0.000 0.429 307 F N 1.298 121.151 119.950 -0.163 0.000 2.149 307 F HA -0.057 4.470 4.527 -0.000 0.000 0.294 307 F C 2.280 178.091 175.800 0.018 0.000 1.095 307 F CA 0.966 58.904 58.000 -0.104 0.000 1.276 307 F CB -0.205 38.592 39.000 -0.339 0.000 1.023 307 F HN 0.117 nan 8.300 nan 0.000 0.480 308 E N -0.005 120.285 120.200 0.150 0.000 2.209 308 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 308 E C 1.428 178.080 176.600 0.087 0.000 0.993 308 E CA 1.322 57.799 56.400 0.128 0.000 0.819 308 E CB -0.293 29.430 29.700 0.038 0.000 0.745 308 E HN 0.381 nan 8.360 nan 0.000 0.477 309 D N 0.743 121.159 120.400 0.027 0.000 2.219 309 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 309 D C 1.875 178.184 176.300 0.013 0.000 0.970 309 D CA 0.545 54.544 54.000 -0.003 0.000 0.851 309 D CB -0.094 40.676 40.800 -0.050 0.000 0.943 309 D HN 0.174 nan 8.370 nan 0.000 0.488 310 L N 0.273 121.523 121.223 0.046 0.000 2.265 310 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 310 L C 0.927 177.803 176.870 0.011 0.000 1.117 310 L CA 0.169 55.029 54.840 0.033 0.000 0.782 310 L CB -0.559 41.550 42.059 0.083 0.000 0.914 310 L HN -0.039 nan 8.230 nan 0.000 0.441 311 N N 1.319 120.042 118.700 0.038 0.000 2.427 311 N HA -0.048 4.692 4.740 -0.000 0.000 0.269 311 N C 0.576 176.076 175.510 -0.016 0.000 1.235 311 N CA 0.500 53.549 53.050 -0.002 0.000 0.934 311 N CB 0.594 39.097 38.487 0.027 0.000 1.121 311 N HN 0.080 nan 8.380 nan 0.000 0.480 312 K N 2.648 123.028 120.400 -0.032 0.000 2.487 312 K HA 0.128 4.448 4.320 -0.000 0.000 0.192 312 K C 0.169 176.753 176.600 -0.027 0.000 1.027 312 K CA 0.484 56.754 56.287 -0.029 0.000 1.054 312 K CB 0.433 32.911 32.500 -0.035 0.000 0.824 312 K HN 0.396 nan 8.250 nan 0.000 0.510 313 R N 0.427 120.911 120.500 -0.027 0.000 2.795 313 R HA 0.163 4.503 4.340 -0.000 0.000 0.320 313 R C 0.150 176.437 176.300 -0.022 0.000 1.223 313 R CA -0.120 55.965 56.100 -0.025 0.000 1.305 313 R CB 0.480 30.764 30.300 -0.028 0.000 1.318 313 R HN 0.016 nan 8.270 nan 0.000 0.636 314 K N 0.742 121.131 120.400 -0.019 0.000 2.160 314 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 314 K C 1.058 177.644 176.600 -0.022 0.000 1.047 314 K CA 2.250 58.525 56.287 -0.020 0.000 0.930 314 K CB 0.092 32.583 32.500 -0.016 0.000 0.720 314 K HN 0.361 nan 8.250 nan 0.000 0.450 315 D N -1.011 119.377 120.400 -0.019 0.000 2.277 315 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 315 D C 1.360 177.650 176.300 -0.017 0.000 0.962 315 D CA 1.053 55.042 54.000 -0.017 0.000 0.865 315 D CB -0.099 40.692 40.800 -0.015 0.000 0.939 315 D HN -0.040 nan 8.370 nan 0.000 0.510 316 T N -1.226 113.317 114.554 -0.018 0.000 3.045 316 T HA 0.087 4.437 4.350 -0.000 0.000 0.239 316 T C 0.633 175.326 174.700 -0.011 0.000 1.008 316 T CA 0.050 62.141 62.100 -0.015 0.000 1.143 316 T CB 0.294 69.150 68.868 -0.019 0.000 0.894 316 T HN -0.003 nan 8.240 nan 0.000 0.451 317 K N 2.071 122.462 120.400 -0.015 0.000 2.159 317 K HA 0.348 4.668 4.320 -0.000 0.000 0.266 317 K C -0.789 175.787 176.600 -0.040 0.000 0.975 317 K CA -0.417 55.864 56.287 -0.011 0.000 0.865 317 K CB 1.327 33.826 32.500 -0.002 0.000 1.087 317 K HN 0.086 nan 8.250 nan 0.000 0.446 318 E N 4.604 124.760 120.200 -0.074 0.000 2.191 318 E HA 0.257 4.607 4.350 -0.000 0.000 0.274 318 E C -0.736 175.696 176.600 -0.280 0.000 0.948 318 E CA -0.872 55.403 56.400 -0.208 0.000 0.802 318 E CB 0.908 30.411 29.700 -0.328 0.000 1.137 318 E HN 0.434 nan 8.360 nan 0.000 0.397 319 I N 3.877 124.292 120.570 -0.258 0.000 2.392 319 I HA 0.196 4.366 4.170 -0.000 0.000 0.295 319 I C -0.761 175.176 176.117 -0.300 0.000 0.985 319 I CA -0.611 60.616 61.300 -0.121 0.000 1.221 319 I CB 0.686 38.726 38.000 0.067 0.000 1.366 319 I HN 0.544 nan 8.210 nan 0.000 0.467 320 Y N 3.656 123.997 120.300 0.067 0.000 2.491 320 Y HA 0.317 4.867 4.550 -0.000 0.000 0.334 320 Y C 0.640 176.506 175.900 -0.056 0.000 0.969 320 Y CA -0.512 57.594 58.100 0.011 0.000 1.241 320 Y CB 1.084 39.603 38.460 0.098 0.000 1.105 320 Y HN 0.406 nan 8.280 nan 0.000 0.503 321 T N 4.042 118.529 114.554 -0.112 0.000 2.799 321 T HA 0.383 4.733 4.350 -0.000 0.000 0.286 321 T C -0.578 173.858 174.700 -0.439 0.000 0.973 321 T CA -0.624 61.345 62.100 -0.219 0.000 1.035 321 T CB 0.386 69.115 68.868 -0.232 0.000 0.932 321 T HN 0.482 nan 8.240 nan 0.000 0.469 322 H N 1.369 120.379 119.070 -0.100 0.000 2.806 322 H HA 0.356 4.912 4.556 -0.000 0.000 0.367 322 H C -1.195 173.909 175.328 -0.373 0.000 1.136 322 H CA -0.821 55.164 56.048 -0.104 0.000 1.178 322 H CB 1.445 31.155 29.762 -0.087 0.000 1.718 322 H HN 0.485 nan 8.280 nan 0.000 0.540 323 F N 1.946 121.911 119.950 0.024 0.000 2.361 323 F HA 0.271 4.798 4.527 -0.000 0.000 0.364 323 F C 0.888 176.644 175.800 -0.073 0.000 1.120 323 F CA -0.433 57.550 58.000 -0.029 0.000 1.102 323 F CB 1.393 40.412 39.000 0.032 0.000 1.183 323 F HN 0.357 nan 8.300 nan 0.000 0.476 324 T N -0.757 113.761 114.554 -0.060 0.000 2.930 324 T HA 0.502 4.852 4.350 -0.000 0.000 0.290 324 T C -1.052 173.614 174.700 -0.058 0.000 1.052 324 T CA -0.943 61.076 62.100 -0.135 0.000 1.017 324 T CB 1.732 70.355 68.868 -0.410 0.000 1.137 324 T HN 0.624 nan 8.240 nan 0.000 0.511 325 C N 2.242 121.501 119.300 -0.068 0.000 2.647 325 C HA 0.757 5.217 4.460 -0.000 0.000 0.273 325 C C 1.829 176.775 174.990 -0.074 0.000 1.088 325 C CA -0.078 58.910 59.018 -0.050 0.000 1.529 325 C CB -1.421 26.293 27.740 -0.043 0.000 1.810 325 C HN 1.120 nan 8.230 nan 0.000 0.422 326 A N 3.099 125.879 122.820 -0.067 0.000 2.042 326 A HA -0.172 4.147 4.320 -0.000 0.000 0.222 326 A C 2.106 179.635 177.584 -0.092 0.000 1.167 326 A CA 2.691 54.691 52.037 -0.061 0.000 0.649 326 A CB -0.569 18.412 19.000 -0.031 0.000 0.809 326 A HN 1.111 nan 8.150 nan 0.000 0.457 327 T N -3.134 111.354 114.554 -0.111 0.000 3.081 327 T HA 0.063 4.413 4.350 -0.000 0.000 0.255 327 T C 0.481 175.095 174.700 -0.143 0.000 1.113 327 T CA 0.514 62.522 62.100 -0.153 0.000 1.082 327 T CB -0.085 68.662 68.868 -0.202 0.000 0.939 327 T HN 0.317 nan 8.240 nan 0.000 0.506 328 D N 2.527 122.861 120.400 -0.110 0.000 2.441 328 D HA 0.143 4.782 4.640 -0.000 0.000 0.221 328 D C 1.441 177.686 176.300 -0.091 0.000 1.156 328 D CA 0.015 53.959 54.000 -0.094 0.000 0.896 328 D CB 1.420 42.175 40.800 -0.075 0.000 1.028 328 D HN 0.228 nan 8.370 nan 0.000 0.509 329 T N 2.130 116.623 114.554 -0.102 0.000 2.881 329 T HA -0.200 4.150 4.350 -0.000 0.000 0.270 329 T C 1.641 176.290 174.700 -0.084 0.000 1.068 329 T CA 1.434 63.468 62.100 -0.109 0.000 1.131 329 T CB -0.036 68.756 68.868 -0.127 0.000 0.871 329 T HN 0.398 nan 8.240 nan 0.000 0.479 330 K N 0.715 121.077 120.400 -0.063 0.000 2.097 330 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 330 K C 2.487 179.091 176.600 0.007 0.000 1.050 330 K CA 1.477 57.745 56.287 -0.032 0.000 0.938 330 K CB -0.346 32.132 32.500 -0.036 0.000 0.718 330 K HN 0.543 nan 8.250 nan 0.000 0.442 331 N N 0.197 118.888 118.700 -0.015 0.000 2.171 331 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 331 N C 1.685 177.217 175.510 0.036 0.000 1.021 331 N CA 1.068 54.127 53.050 0.014 0.000 0.854 331 N CB 0.177 38.645 38.487 -0.032 0.000 0.994 331 N HN 0.021 nan 8.380 nan 0.000 0.426 332 V N 1.500 121.400 119.914 -0.024 0.000 2.515 332 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 332 V C 2.603 178.709 176.094 0.020 0.000 1.058 332 V CA 1.587 63.870 62.300 -0.029 0.000 1.064 332 V CB -0.629 31.153 31.823 -0.067 0.000 0.675 332 V HN 0.426 nan 8.190 nan 0.000 0.461 333 Q N -0.449 119.347 119.800 -0.007 0.000 2.016 333 Q HA -0.231 4.109 4.340 -0.000 0.000 0.200 333 Q C 2.208 178.259 176.000 0.086 0.000 0.978 333 Q CA 2.125 57.919 55.803 -0.015 0.000 0.833 333 Q CB -0.265 28.432 28.738 -0.068 0.000 0.895 333 Q HN 0.577 nan 8.270 nan 0.000 0.427 334 F N 0.518 120.462 119.950 -0.009 0.000 2.065 334 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 334 F C 1.970 177.774 175.800 0.008 0.000 1.112 334 F CA 1.686 59.694 58.000 0.014 0.000 1.212 334 F CB -0.482 38.518 39.000 0.000 0.000 0.975 334 F HN -0.061 nan 8.300 nan 0.000 0.476 335 V N -0.215 119.735 119.914 0.060 0.000 2.343 335 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 335 V C 2.201 178.205 176.094 -0.150 0.000 1.051 335 V CA 2.050 64.254 62.300 -0.160 0.000 1.036 335 V CB -0.915 30.775 31.823 -0.222 0.000 0.654 335 V HN 0.441 nan 8.190 nan 0.000 0.451 336 F N 1.123 121.013 119.950 -0.098 0.000 2.234 336 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 336 F C 2.330 178.136 175.800 0.010 0.000 1.087 336 F CA 1.858 59.843 58.000 -0.025 0.000 1.340 336 F CB -0.341 38.623 39.000 -0.058 0.000 1.031 336 F HN 0.270 nan 8.300 nan 0.000 0.500 337 D N 0.249 120.668 120.400 0.032 0.000 2.123 337 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 337 D C 2.188 178.429 176.300 -0.098 0.000 0.992 337 D CA 1.411 55.471 54.000 0.099 0.000 0.833 337 D CB -0.116 40.719 40.800 0.059 0.000 0.954 337 D HN 0.348 nan 8.370 nan 0.000 0.455 338 A N 0.543 123.209 122.820 -0.257 0.000 1.902 338 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 338 A C 2.670 180.162 177.584 -0.153 0.000 1.181 338 A CA 1.454 53.359 52.037 -0.219 0.000 0.623 338 A CB -0.778 18.073 19.000 -0.249 0.000 0.818 338 A HN 0.238 nan 8.150 nan 0.000 0.443 339 V N -0.385 119.390 119.914 -0.231 0.000 2.343 339 V HA -0.214 3.905 4.120 -0.000 0.000 0.247 339 V C 2.722 178.668 176.094 -0.247 0.000 1.051 339 V CA 2.431 64.592 62.300 -0.231 0.000 1.036 339 V CB -1.158 30.481 31.823 -0.306 0.000 0.654 339 V HN 0.598 nan 8.190 nan 0.000 0.451 340 T N -0.445 113.943 114.554 -0.277 0.000 2.788 340 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 340 T C 1.638 176.305 174.700 -0.055 0.000 1.044 340 T CA 1.615 63.667 62.100 -0.081 0.000 1.139 340 T CB -0.347 68.588 68.868 0.111 0.000 0.867 340 T HN 0.483 nan 8.240 nan 0.000 0.454 341 D N 0.620 120.974 120.400 -0.077 0.000 2.117 341 D HA -0.050 4.590 4.640 -0.000 0.000 0.198 341 D C 2.167 178.423 176.300 -0.073 0.000 0.982 341 D CA 0.570 54.530 54.000 -0.066 0.000 0.828 341 D CB -0.643 40.124 40.800 -0.056 0.000 0.967 341 D HN 0.175 nan 8.370 nan 0.000 0.464 342 V N 0.866 120.714 119.914 -0.111 0.000 2.594 342 V HA -0.165 3.955 4.120 -0.000 0.000 0.253 342 V C 2.096 178.099 176.094 -0.151 0.000 1.069 342 V CA 1.018 63.219 62.300 -0.165 0.000 1.082 342 V CB -0.230 31.363 31.823 -0.383 0.000 0.680 342 V HN 0.148 nan 8.190 nan 0.000 0.469 343 I N -0.354 120.144 120.570 -0.121 0.000 2.500 343 I HA -0.052 4.118 4.170 -0.000 0.000 0.252 343 I C 1.299 177.376 176.117 -0.066 0.000 1.142 343 I CA 0.259 61.508 61.300 -0.084 0.000 1.451 343 I CB -0.074 37.897 38.000 -0.048 0.000 1.093 343 I HN 0.190 nan 8.210 nan 0.000 0.430 344 I N 0.000 120.534 120.570 -0.060 0.000 2.984 344 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 344 I CA 0.000 61.267 61.300 -0.055 0.000 1.566 344 I CB 0.000 37.967 38.000 -0.056 0.000 1.214 344 I HN 0.000 nan 8.210 nan 0.000 0.494