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 3mdt_1_A DATA FIRST_RESID 59 DATA SEQUENCE VLQDVFLDWA KKYGPVVRVN VFHKTSVIVT SPESVKKFLM STKYNKDSKM DATA SEQUENCE YRALQTVFGE RLFGQGLVSE CNYERWHKQR RVIDLAFSRS SLVSLMETFN DATA SEQUENCE EKAEQLVEIL EAKADGQTPV SMQDMLTYTA MDILAKAAFG METSMLLGAQ DATA SEQUENCE KPLSQAVKLM LEGITASRNT XXXXXXXKRK QLREVRESIR FLRQVGRDWV DATA SEQUENCE QRRREALKRG EEVPADILTQ ILKAEEGAQD DEGLLDNFVT FFIAGHETSA DATA SEQUENCE NHLAFTVMEL SRQPEIVARL QAEVDEVIGS KRYLDFEDLG RLQYLSQVLK DATA SEQUENCE ESLRLYPPAW GTFRLLEEET LIDGVRVPGN TPLLFSTYVM GRMDTYFEDP DATA SEQUENCE LTFNPDRFGP GAPKPRFTYF PFSLGHRSCI GQQFAQMEVK VVMAKLLQRL DATA SEQUENCE EFRLVPGQRF GLQEQATLKP LDPVLCTLRP R 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 59 V HA 0.000 nan 4.120 nan 0.000 0.244 59 V C 0.000 175.876 176.094 -0.364 0.000 1.182 59 V CA 0.000 62.175 62.300 -0.209 0.000 1.235 59 V CB 0.000 31.721 31.823 -0.170 0.000 1.184 60 L N 3.465 124.420 121.223 -0.448 0.000 2.043 60 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 60 L C 2.403 178.583 176.870 -1.150 0.000 1.075 60 L CA 2.242 56.643 54.840 -0.731 0.000 0.752 60 L CB -0.370 41.284 42.059 -0.674 0.000 0.891 60 L HN 0.834 nan 8.230 nan 0.000 0.432 61 Q N -0.598 118.607 119.800 -0.992 0.000 2.170 61 Q HA -0.211 4.129 4.340 -0.001 0.000 0.203 61 Q C 1.984 177.697 176.000 -0.477 0.000 0.976 61 Q CA 1.645 56.878 55.803 -0.951 0.000 0.858 61 Q CB -0.455 27.584 28.738 -1.165 0.000 0.907 61 Q HN 0.638 nan 8.270 nan 0.000 0.433 62 D N -0.227 119.964 120.400 -0.348 0.000 2.219 62 D HA -0.078 4.561 4.640 -0.001 0.000 0.205 62 D C 1.881 178.038 176.300 -0.238 0.000 0.970 62 D CA 0.483 54.412 54.000 -0.118 0.000 0.851 62 D CB 0.448 41.203 40.800 -0.074 0.000 0.943 62 D HN 0.052 nan 8.370 nan 0.000 0.488 63 V N 0.938 120.580 119.914 -0.453 0.000 2.379 63 V HA -0.200 3.920 4.120 -0.001 0.000 0.245 63 V C 2.170 177.923 176.094 -0.568 0.000 1.044 63 V CA 1.024 62.949 62.300 -0.624 0.000 1.036 63 V CB -0.516 30.817 31.823 -0.817 0.000 0.664 63 V HN 0.074 nan 8.190 nan 0.000 0.453 64 F N -0.151 119.512 119.950 -0.479 0.000 2.216 64 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 64 F C 2.133 177.894 175.800 -0.064 0.000 1.085 64 F CA 0.905 58.767 58.000 -0.230 0.000 1.326 64 F CB -1.275 37.592 39.000 -0.220 0.000 1.027 64 F HN 0.153 nan 8.300 nan 0.000 0.497 65 L N 0.542 121.828 121.223 0.106 0.000 2.017 65 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 65 L C 1.970 178.880 176.870 0.067 0.000 1.073 65 L CA 2.005 56.900 54.840 0.092 0.000 0.745 65 L CB -1.029 41.067 42.059 0.061 0.000 0.894 65 L HN -0.089 nan 8.230 nan 0.000 0.432 66 D N -1.203 119.197 120.400 0.001 0.000 2.144 66 D HA -0.202 4.437 4.640 -0.001 0.000 0.199 66 D C 1.947 178.352 176.300 0.176 0.000 0.984 66 D CA 1.153 55.165 54.000 0.021 0.000 0.834 66 D CB -0.270 40.502 40.800 -0.046 0.000 0.955 66 D HN 0.452 nan 8.370 nan 0.000 0.465 67 W N 1.234 122.602 121.300 0.114 0.000 2.402 67 W HA 0.140 4.800 4.660 -0.000 0.000 0.286 67 W C 2.379 178.992 176.519 0.156 0.000 1.221 67 W CA 0.496 57.974 57.345 0.222 0.000 1.257 67 W CB -1.082 28.542 29.460 0.274 0.000 1.120 67 W HN -0.045 nan 8.180 nan 0.000 0.551 68 A N 0.349 123.355 122.820 0.311 0.000 1.929 68 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 68 A C 2.007 179.655 177.584 0.106 0.000 1.176 68 A CA 1.489 53.642 52.037 0.193 0.000 0.628 68 A CB -0.487 18.617 19.000 0.173 0.000 0.816 68 A HN 0.240 nan 8.150 nan 0.000 0.444 69 K N -0.637 119.800 120.400 0.062 0.000 2.155 69 K HA -0.049 4.271 4.320 -0.001 0.000 0.203 69 K C 2.035 178.596 176.600 -0.065 0.000 1.052 69 K CA 1.472 57.752 56.287 -0.012 0.000 0.948 69 K CB -0.008 32.475 32.500 -0.027 0.000 0.728 69 K HN 0.402 nan 8.250 nan 0.000 0.448 70 K N -0.552 119.772 120.400 -0.126 0.000 2.202 70 K HA 0.023 4.343 4.320 -0.001 0.000 0.201 70 K C 0.788 177.136 176.600 -0.421 0.000 1.051 70 K CA 0.696 56.767 56.287 -0.361 0.000 0.977 70 K CB 0.361 32.489 32.500 -0.619 0.000 0.792 70 K HN 0.034 nan 8.250 nan 0.000 0.469 71 Y N -0.350 119.981 120.300 0.051 0.000 2.467 71 Y HA 0.362 4.912 4.550 -0.001 0.000 0.250 71 Y C 0.733 176.637 175.900 0.006 0.000 1.155 71 Y CA 0.020 58.123 58.100 0.005 0.000 1.249 71 Y CB 1.100 39.533 38.460 -0.044 0.000 1.146 71 Y HN 0.211 nan 8.280 nan 0.000 0.524 72 G N 1.055 109.926 108.800 0.118 0.000 2.526 72 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.250 72 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.250 72 G C -2.285 172.673 174.900 0.096 0.000 1.289 72 G CA -0.432 44.718 45.100 0.085 0.000 0.947 72 G HN -0.041 nan 8.290 nan 0.000 0.517 73 P HA 0.350 nan 4.420 nan 0.000 0.255 73 P C 0.088 177.429 177.300 0.068 0.000 1.248 73 P CA 0.484 63.645 63.100 0.101 0.000 0.807 73 P CB 0.525 32.291 31.700 0.111 0.000 1.150 74 V N 0.642 120.582 119.914 0.043 0.000 2.445 74 V HA 0.255 4.374 4.120 -0.001 0.000 0.283 74 V C -0.540 175.543 176.094 -0.020 0.000 1.014 74 V CA -0.631 61.670 62.300 0.001 0.000 0.852 74 V CB 2.422 34.245 31.823 0.000 0.000 1.021 74 V HN -0.297 nan 8.190 nan 0.000 0.435 75 V N 4.485 124.373 119.914 -0.043 0.000 2.483 75 V HA 0.518 4.638 4.120 -0.001 0.000 0.297 75 V C 0.230 176.244 176.094 -0.133 0.000 1.027 75 V CA -0.802 61.453 62.300 -0.074 0.000 0.855 75 V CB 2.160 33.986 31.823 0.006 0.000 0.995 75 V HN 0.814 nan 8.190 nan 0.000 0.424 76 R N 3.514 123.913 120.500 -0.167 0.000 2.389 76 R HA 0.596 4.935 4.340 -0.001 0.000 0.295 76 R C -1.316 174.867 176.300 -0.194 0.000 1.075 76 R CA 0.186 56.185 56.100 -0.169 0.000 1.005 76 R CB 1.106 31.312 30.300 -0.156 0.000 0.987 76 R HN 0.545 nan 8.270 nan 0.000 0.452 77 V N 3.415 123.233 119.914 -0.159 0.000 3.130 77 V HA 0.264 4.384 4.120 -0.001 0.000 0.310 77 V C -0.764 175.299 176.094 -0.052 0.000 1.158 77 V CA -1.101 61.132 62.300 -0.112 0.000 1.029 77 V CB 2.504 34.156 31.823 -0.284 0.000 1.057 77 V HN 0.751 nan 8.190 nan 0.000 0.436 78 N N 0.985 119.723 118.700 0.064 0.000 2.439 78 N HA 0.564 5.303 4.740 -0.001 0.000 0.249 78 N C -1.054 174.507 175.510 0.086 0.000 1.003 78 N CA -0.024 53.069 53.050 0.073 0.000 0.942 78 N CB 1.693 40.249 38.487 0.116 0.000 1.115 78 N HN 0.494 nan 8.380 nan 0.000 0.505 79 V N 4.905 124.815 119.914 -0.006 0.000 2.531 79 V HA 0.450 4.570 4.120 -0.001 0.000 0.301 79 V C -0.639 175.338 176.094 -0.196 0.000 1.034 79 V CA -0.605 61.620 62.300 -0.126 0.000 0.865 79 V CB -0.193 31.589 31.823 -0.068 0.000 0.995 79 V HN 0.843 nan 8.190 nan 0.000 0.424 80 F N 7.206 127.124 119.950 -0.052 0.000 3.004 80 F HA -0.229 4.297 4.527 -0.001 0.000 0.264 80 F C 1.064 176.411 175.800 -0.755 0.000 0.979 80 F CA 1.028 58.799 58.000 -0.381 0.000 0.896 80 F CB -1.937 36.876 39.000 -0.311 0.000 0.813 80 F HN 1.198 nan 8.300 nan 0.000 0.804 81 H N -2.207 116.949 119.070 0.143 0.000 2.655 81 H HA -0.134 4.421 4.556 -0.001 0.000 0.313 81 H C -0.400 174.961 175.328 0.054 0.000 1.141 81 H CA 0.996 57.094 56.048 0.084 0.000 1.138 81 H CB -1.620 28.187 29.762 0.074 0.000 1.446 81 H HN 0.560 nan 8.280 nan 0.000 0.415 82 K N -0.091 120.333 120.400 0.040 0.000 2.469 82 K HA 0.529 4.848 4.320 -0.001 0.000 0.254 82 K C -0.435 176.158 176.600 -0.012 0.000 0.939 82 K CA -0.574 55.719 56.287 0.009 0.000 0.812 82 K CB 2.027 34.500 32.500 -0.045 0.000 1.301 82 K HN 0.229 nan 8.250 nan 0.000 0.433 83 T N 1.521 116.065 114.554 -0.016 0.000 2.851 83 T HA 0.405 4.755 4.350 -0.001 0.000 0.298 83 T C -0.273 174.401 174.700 -0.043 0.000 0.977 83 T CA -0.274 61.807 62.100 -0.031 0.000 1.126 83 T CB 0.478 69.326 68.868 -0.032 0.000 0.916 83 T HN 0.666 nan 8.240 nan 0.000 0.529 84 S N 1.479 117.149 115.700 -0.050 0.000 2.638 84 S HA 0.696 5.166 4.470 -0.001 0.000 0.274 84 S C -1.270 173.275 174.600 -0.091 0.000 1.157 84 S CA -0.881 57.297 58.200 -0.035 0.000 0.826 84 S CB 1.344 64.590 63.200 0.077 0.000 1.139 84 S HN 0.381 nan 8.310 nan 0.000 0.474 85 V N 2.039 121.886 119.914 -0.111 0.000 2.384 85 V HA 0.476 4.596 4.120 -0.001 0.000 0.287 85 V C -0.166 175.791 176.094 -0.228 0.000 1.020 85 V CA -0.711 61.493 62.300 -0.161 0.000 0.850 85 V CB 1.225 32.959 31.823 -0.148 0.000 0.987 85 V HN 0.888 nan 8.190 nan 0.000 0.436 86 I N 5.997 126.430 120.570 -0.228 0.000 2.396 86 I HA 0.356 4.525 4.170 -0.001 0.000 0.289 86 I C -0.574 175.434 176.117 -0.182 0.000 1.056 86 I CA 0.073 61.225 61.300 -0.246 0.000 1.365 86 I CB 0.975 38.831 38.000 -0.239 0.000 1.407 86 I HN 0.353 nan 8.210 nan 0.000 0.509 87 V N 6.831 126.590 119.914 -0.259 0.000 2.357 87 V HA 0.266 4.385 4.120 -0.001 0.000 0.284 87 V C 0.770 176.913 176.094 0.082 0.000 1.018 87 V CA -0.158 62.077 62.300 -0.109 0.000 0.841 87 V CB 1.336 33.047 31.823 -0.186 0.000 0.991 87 V HN 0.885 nan 8.190 nan 0.000 0.437 88 T N -0.742 113.903 114.554 0.151 0.000 3.091 88 T HA 0.135 4.485 4.350 -0.001 0.000 0.277 88 T C 0.656 175.520 174.700 0.274 0.000 0.996 88 T CA 0.245 62.491 62.100 0.243 0.000 0.897 88 T CB 0.258 69.279 68.868 0.256 0.000 1.109 88 T HN 0.637 nan 8.240 nan 0.000 0.534 89 S N 2.474 118.303 115.700 0.214 0.000 2.523 89 S HA 0.371 4.841 4.470 -0.001 0.000 0.275 89 S C -1.467 173.190 174.600 0.094 0.000 1.281 89 S CA -1.193 57.115 58.200 0.181 0.000 1.050 89 S CB 1.503 64.784 63.200 0.136 0.000 0.937 89 S HN 0.016 nan 8.310 nan 0.000 0.492 90 P HA -0.041 nan 4.420 nan 0.000 0.223 90 P C 0.675 177.955 177.300 -0.034 0.000 1.151 90 P CA 0.989 64.094 63.100 0.007 0.000 0.787 90 P CB 0.080 31.761 31.700 -0.032 0.000 0.788 91 E N -0.208 119.966 120.200 -0.043 0.000 2.208 91 E HA -0.052 4.298 4.350 -0.001 0.000 0.193 91 E C 2.038 178.508 176.600 -0.216 0.000 0.988 91 E CA 1.142 57.462 56.400 -0.133 0.000 0.828 91 E CB -0.555 29.105 29.700 -0.067 0.000 0.763 91 E HN 0.223 nan 8.360 nan 0.000 0.478 92 S N -0.491 115.143 115.700 -0.109 0.000 2.478 92 S HA 0.003 4.473 4.470 -0.001 0.000 0.222 92 S C 1.979 176.548 174.600 -0.051 0.000 1.008 92 S CA 0.147 58.290 58.200 -0.095 0.000 0.928 92 S CB 0.210 63.503 63.200 0.155 0.000 0.781 92 S HN 0.036 nan 8.310 nan 0.000 0.518 93 V N 2.624 122.503 119.914 -0.057 0.000 2.343 93 V HA -0.179 3.941 4.120 -0.001 0.000 0.247 93 V C 2.468 178.288 176.094 -0.457 0.000 1.051 93 V CA 1.757 63.938 62.300 -0.199 0.000 1.036 93 V CB -0.499 31.260 31.823 -0.107 0.000 0.654 93 V HN 0.452 nan 8.190 nan 0.000 0.451 94 K N 0.577 120.566 120.400 -0.685 0.000 2.002 94 K HA -0.265 4.055 4.320 -0.001 0.000 0.209 94 K C 2.343 178.580 176.600 -0.606 0.000 1.048 94 K CA 2.056 57.731 56.287 -1.020 0.000 0.930 94 K CB -0.265 31.264 32.500 -1.618 0.000 0.714 94 K HN 0.334 nan 8.250 nan 0.000 0.438 95 K N -0.522 119.515 120.400 -0.605 0.000 2.044 95 K HA -0.177 4.142 4.320 -0.001 0.000 0.210 95 K C 1.910 178.139 176.600 -0.617 0.000 1.049 95 K CA 1.991 57.891 56.287 -0.645 0.000 0.927 95 K CB -0.135 31.800 32.500 -0.941 0.000 0.713 95 K HN 0.131 nan 8.250 nan 0.000 0.443 96 F N 0.230 119.931 119.950 -0.415 0.000 2.446 96 F HA 0.093 4.620 4.527 -0.000 0.000 0.292 96 F C 1.879 177.482 175.800 -0.327 0.000 1.096 96 F CA 0.383 58.044 58.000 -0.564 0.000 1.438 96 F CB -0.088 38.610 39.000 -0.503 0.000 1.107 96 F HN -0.071 nan 8.300 nan 0.000 0.546 97 L N -0.810 120.240 121.223 -0.289 0.000 2.375 97 L HA 0.009 4.348 4.340 -0.001 0.000 0.215 97 L C 1.570 178.401 176.870 -0.065 0.000 1.108 97 L CA 0.490 55.172 54.840 -0.264 0.000 0.830 97 L CB -0.303 41.463 42.059 -0.489 0.000 0.959 97 L HN 0.084 nan 8.230 nan 0.000 0.457 98 M N -0.936 118.621 119.600 -0.072 0.000 2.505 98 M HA 0.161 4.640 4.480 -0.001 0.000 0.230 98 M C 0.454 176.774 176.300 0.033 0.000 1.153 98 M CA 0.327 55.629 55.300 0.002 0.000 0.997 98 M CB -0.265 32.312 32.600 -0.039 0.000 1.606 98 M HN -0.031 nan 8.290 nan 0.000 0.481 99 S N -0.070 115.678 115.700 0.080 0.000 2.536 99 S HA 0.386 4.856 4.470 -0.001 0.000 0.287 99 S C 1.110 175.644 174.600 -0.109 0.000 1.101 99 S CA -0.390 57.824 58.200 0.023 0.000 0.950 99 S CB 1.392 64.659 63.200 0.112 0.000 1.056 99 S HN 0.487 nan 8.310 nan 0.000 0.481 100 T N 2.027 116.373 114.554 -0.346 0.000 3.035 100 T HA 0.036 4.386 4.350 -0.001 0.000 0.268 100 T C 1.520 175.938 174.700 -0.471 0.000 1.109 100 T CA 0.777 62.491 62.100 -0.644 0.000 1.119 100 T CB -0.262 68.218 68.868 -0.647 0.000 0.900 100 T HN 0.513 nan 8.240 nan 0.000 0.503 101 K N 0.867 121.019 120.400 -0.414 0.000 2.074 101 K HA -0.023 4.297 4.320 -0.001 0.000 0.209 101 K C -0.198 176.107 176.600 -0.492 0.000 1.048 101 K CA 1.147 57.106 56.287 -0.547 0.000 0.926 101 K CB -0.431 31.575 32.500 -0.824 0.000 0.713 101 K HN 0.634 nan 8.250 nan 0.000 0.444 102 Y N 0.760 121.069 120.300 0.015 0.000 2.335 102 Y HA 0.342 4.891 4.550 -0.001 0.000 0.339 102 Y C 0.363 176.336 175.900 0.122 0.000 0.987 102 Y CA -0.959 57.194 58.100 0.088 0.000 1.140 102 Y CB 0.954 39.517 38.460 0.172 0.000 1.173 102 Y HN -0.052 nan 8.280 nan 0.000 0.486 103 N N 1.909 120.739 118.700 0.217 0.000 2.653 103 N HA 0.344 5.083 4.740 -0.001 0.000 0.294 103 N C -0.975 174.596 175.510 0.102 0.000 1.305 103 N CA -1.128 52.015 53.050 0.154 0.000 0.827 103 N CB 1.712 40.287 38.487 0.146 0.000 1.415 103 N HN 0.493 nan 8.380 nan 0.000 0.546 104 K N 0.805 121.199 120.400 -0.009 0.000 2.382 104 K HA -0.010 4.310 4.320 -0.001 0.000 0.275 104 K C -0.571 176.090 176.600 0.102 0.000 1.009 104 K CA 0.062 56.357 56.287 0.014 0.000 0.970 104 K CB 0.291 32.600 32.500 -0.317 0.000 0.934 104 K HN 0.432 nan 8.250 nan 0.000 0.479 105 D N 1.187 121.731 120.400 0.240 0.000 2.325 105 D HA -0.010 4.630 4.640 -0.001 0.000 0.251 105 D C 0.963 177.393 176.300 0.217 0.000 1.196 105 D CA -0.100 54.012 54.000 0.185 0.000 0.866 105 D CB 0.910 41.801 40.800 0.152 0.000 1.101 105 D HN 0.441 nan 8.370 nan 0.000 0.476 106 S N 3.691 119.468 115.700 0.128 0.000 2.442 106 S HA -0.196 4.273 4.470 -0.001 0.000 0.236 106 S C 1.592 176.250 174.600 0.097 0.000 1.007 106 S CA 0.699 58.970 58.200 0.119 0.000 0.965 106 S CB -0.185 63.057 63.200 0.070 0.000 0.773 106 S HN 0.515 nan 8.310 nan 0.000 0.504 107 K N 0.006 120.435 120.400 0.048 0.000 2.147 107 K HA 0.078 4.398 4.320 -0.001 0.000 0.205 107 K C 1.932 178.484 176.600 -0.079 0.000 1.049 107 K CA 1.321 57.602 56.287 -0.010 0.000 0.936 107 K CB -0.187 32.296 32.500 -0.028 0.000 0.722 107 K HN 0.368 nan 8.250 nan 0.000 0.446 108 M N -0.884 118.627 119.600 -0.148 0.000 2.334 108 M HA -0.027 4.452 4.480 -0.001 0.000 0.266 108 M C 1.251 177.320 176.300 -0.385 0.000 1.082 108 M CA 1.492 56.548 55.300 -0.407 0.000 1.141 108 M CB -0.379 31.676 32.600 -0.908 0.000 1.380 108 M HN 0.092 nan 8.290 nan 0.000 0.440 109 Y N -0.853 119.381 120.300 -0.110 0.000 2.482 109 Y HA 0.193 4.743 4.550 -0.001 0.000 0.270 109 Y C 2.377 178.236 175.900 -0.069 0.000 1.152 109 Y CA 0.154 58.200 58.100 -0.090 0.000 1.292 109 Y CB -0.380 38.042 38.460 -0.063 0.000 1.070 109 Y HN 0.141 nan 8.280 nan 0.000 0.528 110 R N 0.495 121.032 120.500 0.062 0.000 2.081 110 R HA -0.172 4.168 4.340 -0.001 0.000 0.235 110 R C 2.276 178.583 176.300 0.011 0.000 1.131 110 R CA 1.262 57.386 56.100 0.041 0.000 0.960 110 R CB -0.256 30.058 30.300 0.024 0.000 0.856 110 R HN 0.337 nan 8.270 nan 0.000 0.436 111 A N 0.174 122.969 122.820 -0.041 0.000 2.066 111 A HA -0.062 4.258 4.320 -0.001 0.000 0.218 111 A C 1.912 179.463 177.584 -0.055 0.000 1.157 111 A CA 0.901 52.897 52.037 -0.069 0.000 0.670 111 A CB -0.147 18.780 19.000 -0.123 0.000 0.804 111 A HN 0.255 nan 8.150 nan 0.000 0.453 112 L N -0.993 120.215 121.223 -0.025 0.000 2.446 112 L HA -0.066 4.274 4.340 -0.001 0.000 0.219 112 L C 2.511 179.505 176.870 0.207 0.000 1.116 112 L CA 0.562 55.442 54.840 0.067 0.000 0.844 112 L CB -0.292 41.752 42.059 -0.026 0.000 0.970 112 L HN 0.395 nan 8.230 nan 0.000 0.457 113 Q N -0.592 119.290 119.800 0.137 0.000 2.119 113 Q HA -0.023 4.316 4.340 -0.001 0.000 0.201 113 Q C -0.005 176.060 176.000 0.108 0.000 0.972 113 Q CA 1.027 56.920 55.803 0.150 0.000 0.847 113 Q CB 0.065 28.866 28.738 0.105 0.000 0.903 113 Q HN 0.314 nan 8.270 nan 0.000 0.433 114 T N 0.614 115.207 114.554 0.064 0.000 2.937 114 T HA 0.448 4.798 4.350 -0.001 0.000 0.297 114 T C -1.101 173.602 174.700 0.005 0.000 0.991 114 T CA -0.511 61.612 62.100 0.038 0.000 0.990 114 T CB 2.076 70.963 68.868 0.032 0.000 0.991 114 T HN -0.200 nan 8.240 nan 0.000 0.440 115 V N 4.508 124.427 119.914 0.007 0.000 2.384 115 V HA 0.430 4.550 4.120 -0.001 0.000 0.287 115 V C -0.172 175.952 176.094 0.048 0.000 1.020 115 V CA -0.717 61.551 62.300 -0.053 0.000 0.850 115 V CB 0.489 32.301 31.823 -0.018 0.000 0.987 115 V HN 0.988 nan 8.190 nan 0.000 0.436 116 F N 3.879 123.845 119.950 0.027 0.000 3.004 116 F HA -0.195 4.332 4.527 0.001 0.000 0.264 116 F C 1.586 177.396 175.800 0.015 0.000 0.979 116 F CA 1.325 59.337 58.000 0.020 0.000 0.896 116 F CB -1.456 37.554 39.000 0.017 0.000 0.813 116 F HN 0.994 nan 8.300 nan 0.000 0.804 117 G N -0.291 108.596 108.800 0.144 0.000 2.155 117 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.257 117 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.257 117 G C -0.101 174.843 174.900 0.074 0.000 0.983 117 G CA 0.479 45.636 45.100 0.095 0.000 0.676 117 G HN 0.619 nan 8.290 nan 0.000 0.528 118 E N -0.607 119.639 120.200 0.077 0.000 2.246 118 E HA 0.574 4.924 4.350 -0.001 0.000 0.266 118 E C 0.246 176.866 176.600 0.034 0.000 0.880 118 E CA -0.916 55.515 56.400 0.051 0.000 0.762 118 E CB 0.775 30.509 29.700 0.058 0.000 1.180 118 E HN 0.341 nan 8.360 nan 0.000 0.416 119 R N 3.700 124.211 120.500 0.020 0.000 2.484 119 R HA 0.128 4.468 4.340 -0.001 0.000 0.293 119 R C -0.065 176.227 176.300 -0.014 0.000 1.023 119 R CA 0.241 56.349 56.100 0.014 0.000 1.037 119 R CB 0.304 30.613 30.300 0.016 0.000 0.951 119 R HN 0.612 nan 8.270 nan 0.000 0.418 120 L N 4.020 125.231 121.223 -0.021 0.000 3.569 120 L HA 0.293 4.633 4.340 -0.001 0.000 0.178 120 L C 0.574 177.354 176.870 -0.150 0.000 1.286 120 L CA 0.627 55.389 54.840 -0.131 0.000 0.952 120 L CB -0.064 41.894 42.059 -0.168 0.000 1.540 120 L HN 0.658 nan 8.230 nan 0.000 0.661 121 F N 0.593 120.570 119.950 0.046 0.000 2.743 121 F HA 0.411 4.938 4.527 -0.000 0.000 0.297 121 F C 1.723 177.558 175.800 0.058 0.000 1.131 121 F CA 0.651 58.684 58.000 0.055 0.000 1.426 121 F CB -0.464 38.562 39.000 0.043 0.000 1.116 121 F HN 0.420 nan 8.300 nan 0.000 0.583 122 G N 0.294 109.208 108.800 0.192 0.000 2.591 122 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.298 122 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.298 122 G C 0.359 175.338 174.900 0.132 0.000 1.195 122 G CA 0.210 45.391 45.100 0.134 0.000 0.989 122 G HN 0.215 nan 8.290 nan 0.000 0.551 123 Q N 1.789 121.661 119.800 0.119 0.000 2.324 123 Q HA 0.446 4.785 4.340 -0.001 0.000 0.373 123 Q C 0.919 176.993 176.000 0.123 0.000 0.909 123 Q CA 0.520 56.388 55.803 0.108 0.000 1.135 123 Q CB 0.484 29.275 28.738 0.089 0.000 1.313 123 Q HN 0.902 nan 8.270 nan 0.000 0.417 124 G N 0.367 109.256 108.800 0.148 0.000 2.553 124 G HA2 0.169 4.128 3.960 -0.001 0.000 0.278 124 G HA3 0.169 4.128 3.960 -0.001 0.000 0.278 124 G C 0.861 175.844 174.900 0.140 0.000 1.349 124 G CA -0.493 44.705 45.100 0.163 0.000 1.037 124 G HN 0.353 nan 8.290 nan 0.000 0.508 125 L N -0.323 120.985 121.223 0.142 0.000 2.127 125 L HA -0.082 4.257 4.340 -0.001 0.000 0.211 125 L C 2.691 179.640 176.870 0.131 0.000 1.089 125 L CA 1.554 56.492 54.840 0.163 0.000 0.757 125 L CB -0.272 41.873 42.059 0.144 0.000 0.899 125 L HN 0.265 nan 8.230 nan 0.000 0.434 126 V N -1.578 118.326 119.914 -0.017 0.000 2.341 126 V HA -0.096 4.024 4.120 -0.001 0.000 0.240 126 V C 2.394 178.382 176.094 -0.175 0.000 1.035 126 V CA 1.340 63.568 62.300 -0.120 0.000 1.033 126 V CB -1.007 30.703 31.823 -0.189 0.000 0.678 126 V HN 0.593 nan 8.190 nan 0.000 0.464 127 S N 0.311 115.957 115.700 -0.091 0.000 2.481 127 S HA -0.070 4.400 4.470 -0.001 0.000 0.231 127 S C 0.975 175.524 174.600 -0.084 0.000 0.996 127 S CA 0.546 58.702 58.200 -0.075 0.000 0.942 127 S CB -0.414 62.817 63.200 0.052 0.000 0.768 127 S HN 0.565 nan 8.310 nan 0.000 0.520 128 E N 0.937 121.123 120.200 -0.024 0.000 2.159 128 E HA 0.245 4.594 4.350 -0.001 0.000 0.272 128 E C 0.168 176.733 176.600 -0.060 0.000 1.138 128 E CA -0.239 56.177 56.400 0.026 0.000 0.915 128 E CB -0.180 29.603 29.700 0.139 0.000 1.028 128 E HN 0.325 nan 8.360 nan 0.000 0.423 129 C N 4.016 123.271 119.300 -0.076 0.000 2.551 129 C HA 0.159 4.618 4.460 -0.001 0.000 0.277 129 C C 1.123 176.113 174.990 0.000 0.000 1.349 129 C CA -0.465 58.481 59.018 -0.120 0.000 1.750 129 C CB -0.843 26.839 27.740 -0.097 0.000 2.058 129 C HN 0.740 nan 8.230 nan 0.000 0.518 130 N N 0.719 119.461 118.700 0.070 0.000 2.440 130 N HA -0.087 4.653 4.740 -0.001 0.000 0.265 130 N C 0.545 176.190 175.510 0.224 0.000 1.239 130 N CA 0.251 53.382 53.050 0.135 0.000 0.909 130 N CB 0.278 38.837 38.487 0.120 0.000 1.066 130 N HN 0.543 nan 8.380 nan 0.000 0.474 131 Y N 4.599 124.986 120.300 0.144 0.000 2.165 131 Y HA -0.222 4.327 4.550 -0.000 0.000 0.286 131 Y C 1.778 177.891 175.900 0.355 0.000 1.155 131 Y CA 1.734 59.989 58.100 0.258 0.000 1.164 131 Y CB 0.291 38.841 38.460 0.151 0.000 0.978 131 Y HN 0.606 nan 8.280 nan 0.000 0.513 132 E N 0.235 120.631 120.200 0.327 0.000 2.047 132 E HA -0.188 4.162 4.350 -0.001 0.000 0.191 132 E C 2.330 179.018 176.600 0.146 0.000 0.987 132 E CA 1.339 57.873 56.400 0.223 0.000 0.799 132 E CB -0.460 29.353 29.700 0.188 0.000 0.752 132 E HN 0.511 nan 8.360 nan 0.000 0.449 133 R N -0.331 120.257 120.500 0.147 0.000 2.115 133 R HA -0.137 4.203 4.340 -0.001 0.000 0.230 133 R C 2.127 178.491 176.300 0.107 0.000 1.111 133 R CA 1.363 57.529 56.100 0.109 0.000 0.976 133 R CB -0.342 30.023 30.300 0.109 0.000 0.870 133 R HN 0.252 nan 8.270 nan 0.000 0.445 134 W N 0.477 121.760 121.300 -0.029 0.000 2.381 134 W HA -0.171 4.488 4.660 -0.001 0.000 0.301 134 W C 2.045 178.516 176.519 -0.080 0.000 1.205 134 W CA 1.389 58.697 57.345 -0.062 0.000 1.285 134 W CB -0.389 29.014 29.460 -0.097 0.000 1.133 134 W HN 0.126 nan 8.180 nan 0.000 0.521 135 H N 0.497 119.306 119.070 -0.435 0.000 2.389 135 H HA -0.143 4.413 4.556 -0.001 0.000 0.299 135 H C 2.165 177.191 175.328 -0.503 0.000 1.081 135 H CA 1.883 57.465 56.048 -0.776 0.000 1.345 135 H CB -0.064 29.402 29.762 -0.494 0.000 1.393 135 H HN 0.193 nan 8.280 nan 0.000 0.520 136 K N 0.787 121.056 120.400 -0.218 0.000 2.057 136 K HA -0.175 4.144 4.320 -0.001 0.000 0.207 136 K C 2.352 178.824 176.600 -0.214 0.000 1.049 136 K CA 1.856 58.045 56.287 -0.163 0.000 0.931 136 K CB 0.076 32.546 32.500 -0.049 0.000 0.714 136 K HN 0.535 nan 8.250 nan 0.000 0.440 137 Q N -0.485 119.175 119.800 -0.233 0.000 2.212 137 Q HA -0.116 4.224 4.340 -0.001 0.000 0.199 137 Q C 1.987 177.828 176.000 -0.266 0.000 0.950 137 Q CA 0.633 56.328 55.803 -0.179 0.000 0.863 137 Q CB -0.179 28.513 28.738 -0.076 0.000 0.944 137 Q HN 0.020 nan 8.270 nan 0.000 0.465 138 R N 1.311 121.481 120.500 -0.551 0.000 2.081 138 R HA -0.077 4.263 4.340 -0.001 0.000 0.235 138 R C 2.023 178.082 176.300 -0.402 0.000 1.131 138 R CA 1.704 57.444 56.100 -0.600 0.000 0.960 138 R CB -0.265 29.281 30.300 -1.256 0.000 0.856 138 R HN 0.185 nan 8.270 nan 0.000 0.436 139 R N -0.649 119.574 120.500 -0.461 0.000 2.148 139 R HA 0.019 4.359 4.340 -0.001 0.000 0.227 139 R C 1.954 178.154 176.300 -0.167 0.000 1.103 139 R CA 1.241 57.155 56.100 -0.311 0.000 0.983 139 R CB -0.222 29.875 30.300 -0.338 0.000 0.874 139 R HN 0.162 nan 8.270 nan 0.000 0.451 140 V N -0.154 119.672 119.914 -0.146 0.000 2.379 140 V HA -0.103 4.017 4.120 -0.001 0.000 0.243 140 V C 1.976 178.044 176.094 -0.043 0.000 1.035 140 V CA 1.464 63.717 62.300 -0.079 0.000 1.035 140 V CB -0.256 31.529 31.823 -0.063 0.000 0.673 140 V HN 0.220 nan 8.190 nan 0.000 0.457 141 I N 0.117 120.673 120.570 -0.024 0.000 2.493 141 I HA -0.174 3.995 4.170 -0.001 0.000 0.254 141 I C 2.169 178.375 176.117 0.149 0.000 1.160 141 I CA 1.044 62.377 61.300 0.055 0.000 1.445 141 I CB -0.459 37.624 38.000 0.139 0.000 1.086 141 I HN 0.280 nan 8.210 nan 0.000 0.433 142 D N 1.034 121.482 120.400 0.081 0.000 2.158 142 D HA -0.167 4.473 4.640 -0.001 0.000 0.197 142 D C 2.223 178.598 176.300 0.126 0.000 0.995 142 D CA 1.135 55.206 54.000 0.119 0.000 0.846 142 D CB -0.025 40.778 40.800 0.006 0.000 0.941 142 D HN 0.185 nan 8.370 nan 0.000 0.456 143 L N 0.545 121.791 121.223 0.039 0.000 2.127 143 L HA -0.135 4.205 4.340 -0.001 0.000 0.211 143 L C 2.322 179.170 176.870 -0.037 0.000 1.089 143 L CA 1.063 55.902 54.840 -0.002 0.000 0.757 143 L CB -1.247 40.793 42.059 -0.031 0.000 0.899 143 L HN -0.044 nan 8.230 nan 0.000 0.434 144 A N -1.983 120.789 122.820 -0.080 0.000 2.167 144 A HA -0.059 4.261 4.320 -0.001 0.000 0.214 144 A C 1.348 178.665 177.584 -0.446 0.000 1.151 144 A CA 0.509 52.367 52.037 -0.299 0.000 0.735 144 A CB -0.429 18.288 19.000 -0.472 0.000 0.802 144 A HN 0.351 nan 8.150 nan 0.000 0.467 145 F N 0.453 120.400 119.950 -0.005 0.000 2.791 145 F HA 0.185 4.711 4.527 -0.001 0.000 0.308 145 F C 1.233 177.049 175.800 0.027 0.000 1.138 145 F CA -0.042 57.985 58.000 0.045 0.000 1.294 145 F CB 0.260 39.304 39.000 0.072 0.000 0.975 145 F HN 0.163 nan 8.300 nan 0.000 0.512 146 S N -0.623 115.133 115.700 0.092 0.000 2.624 146 S HA 0.246 4.716 4.470 -0.001 0.000 0.263 146 S C 1.565 176.171 174.600 0.009 0.000 1.287 146 S CA -0.630 57.599 58.200 0.047 0.000 0.990 146 S CB 1.308 64.509 63.200 0.002 0.000 0.950 146 S HN 0.436 nan 8.310 nan 0.000 0.561 147 R N 0.719 121.210 120.500 -0.014 0.000 2.082 147 R HA -0.132 4.208 4.340 -0.001 0.000 0.234 147 R C 2.613 178.812 176.300 -0.169 0.000 1.136 147 R CA 2.208 58.261 56.100 -0.079 0.000 0.935 147 R CB -0.892 29.373 30.300 -0.058 0.000 0.842 147 R HN 0.908 nan 8.270 nan 0.000 0.430 148 S N -0.738 114.882 115.700 -0.133 0.000 2.447 148 S HA -0.050 4.420 4.470 -0.001 0.000 0.233 148 S C 1.935 176.446 174.600 -0.148 0.000 1.006 148 S CA 1.349 59.459 58.200 -0.150 0.000 0.957 148 S CB 0.005 63.144 63.200 -0.102 0.000 0.773 148 S HN 0.275 nan 8.310 nan 0.000 0.507 149 S N 1.908 117.534 115.700 -0.123 0.000 2.383 149 S HA 0.185 4.655 4.470 -0.001 0.000 0.227 149 S C 1.715 176.219 174.600 -0.161 0.000 1.026 149 S CA 1.171 59.290 58.200 -0.135 0.000 0.981 149 S CB -0.436 62.688 63.200 -0.126 0.000 0.818 149 S HN 0.481 nan 8.310 nan 0.000 0.472 150 L N 0.857 121.996 121.223 -0.140 0.000 2.270 150 L HA 0.043 4.382 4.340 -0.001 0.000 0.210 150 L C 2.124 178.836 176.870 -0.265 0.000 1.104 150 L CA 0.386 55.137 54.840 -0.148 0.000 0.804 150 L CB -0.390 41.663 42.059 -0.010 0.000 0.937 150 L HN 0.172 nan 8.230 nan 0.000 0.450 151 V N -0.990 118.728 119.914 -0.327 0.000 2.427 151 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 151 V C 2.383 178.336 176.094 -0.235 0.000 1.051 151 V CA 1.869 63.947 62.300 -0.371 0.000 1.048 151 V CB -0.239 31.337 31.823 -0.410 0.000 0.666 151 V HN 0.367 nan 8.190 nan 0.000 0.456 152 S N -0.154 115.417 115.700 -0.214 0.000 2.515 152 S HA 0.099 4.569 4.470 -0.001 0.000 0.231 152 S C 1.573 176.030 174.600 -0.238 0.000 0.987 152 S CA 0.814 58.907 58.200 -0.180 0.000 0.936 152 S CB -0.155 62.954 63.200 -0.152 0.000 0.766 152 S HN 0.497 nan 8.310 nan 0.000 0.528 153 L N 0.285 121.285 121.223 -0.371 0.000 2.592 153 L HA 0.209 4.548 4.340 -0.001 0.000 0.227 153 L C 1.950 178.287 176.870 -0.888 0.000 1.127 153 L CA 0.027 54.488 54.840 -0.631 0.000 0.884 153 L CB -0.302 41.271 42.059 -0.810 0.000 1.065 153 L HN 0.284 nan 8.230 nan 0.000 0.457 154 M N 0.011 119.318 119.600 -0.488 0.000 2.213 154 M HA -0.197 4.283 4.480 -0.001 0.000 0.263 154 M C 2.022 178.289 176.300 -0.055 0.000 1.062 154 M CA 1.533 56.690 55.300 -0.238 0.000 1.105 154 M CB -0.574 32.018 32.600 -0.014 0.000 1.385 154 M HN 0.209 nan 8.290 nan 0.000 0.417 155 E N -0.242 119.961 120.200 0.005 0.000 2.077 155 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 155 E C 1.787 178.415 176.600 0.047 0.000 0.989 155 E CA 1.827 58.303 56.400 0.127 0.000 0.800 155 E CB 0.084 29.807 29.700 0.037 0.000 0.746 155 E HN 0.402 nan 8.360 nan 0.000 0.452 156 T N 0.224 114.724 114.554 -0.091 0.000 2.737 156 T HA -0.108 4.241 4.350 -0.001 0.000 0.265 156 T C 1.289 176.054 174.700 0.108 0.000 1.038 156 T CA 1.109 63.187 62.100 -0.037 0.000 1.144 156 T CB -0.364 68.436 68.868 -0.114 0.000 0.866 156 T HN 0.119 nan 8.240 nan 0.000 0.434 157 F N 2.341 122.277 119.950 -0.022 0.000 2.161 157 F HA -0.062 4.464 4.527 -0.001 0.000 0.300 157 F C 2.382 178.179 175.800 -0.006 0.000 1.089 157 F CA 0.069 58.046 58.000 -0.038 0.000 1.282 157 F CB -1.120 37.825 39.000 -0.092 0.000 1.010 157 F HN 0.203 nan 8.300 nan 0.000 0.485 158 N N 0.232 119.046 118.700 0.190 0.000 2.135 158 N HA -0.140 4.599 4.740 -0.001 0.000 0.186 158 N C 1.847 177.439 175.510 0.137 0.000 1.027 158 N CA 1.063 54.191 53.050 0.130 0.000 0.849 158 N CB -0.273 38.294 38.487 0.134 0.000 1.002 158 N HN 0.401 nan 8.380 nan 0.000 0.425 159 E N 0.780 121.063 120.200 0.139 0.000 2.058 159 E HA -0.181 4.169 4.350 -0.001 0.000 0.194 159 E C 1.693 178.355 176.600 0.103 0.000 0.997 159 E CA 1.255 57.721 56.400 0.110 0.000 0.801 159 E CB 0.095 29.848 29.700 0.089 0.000 0.746 159 E HN 0.072 nan 8.360 nan 0.000 0.450 160 K N 0.359 120.830 120.400 0.118 0.000 2.103 160 K HA -0.014 4.305 4.320 -0.001 0.000 0.204 160 K C 1.769 178.431 176.600 0.103 0.000 1.052 160 K CA 1.079 57.435 56.287 0.116 0.000 0.945 160 K CB -0.448 32.136 32.500 0.141 0.000 0.722 160 K HN 0.112 nan 8.250 nan 0.000 0.443 161 A N 0.831 123.710 122.820 0.099 0.000 1.877 161 A HA -0.210 4.109 4.320 -0.001 0.000 0.216 161 A C 2.180 179.810 177.584 0.077 0.000 1.186 161 A CA 2.003 54.087 52.037 0.078 0.000 0.620 161 A CB -0.558 18.479 19.000 0.062 0.000 0.822 161 A HN 0.341 nan 8.150 nan 0.000 0.443 162 E N -0.015 120.233 120.200 0.079 0.000 2.085 162 E HA -0.259 4.091 4.350 -0.001 0.000 0.194 162 E C 2.135 178.776 176.600 0.069 0.000 0.994 162 E CA 2.019 58.463 56.400 0.073 0.000 0.801 162 E CB -0.406 29.342 29.700 0.079 0.000 0.743 162 E HN 0.705 nan 8.360 nan 0.000 0.453 163 Q N -0.585 119.258 119.800 0.072 0.000 2.050 163 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 163 Q C 2.255 178.298 176.000 0.072 0.000 0.980 163 Q CA 1.596 57.440 55.803 0.067 0.000 0.840 163 Q CB -0.296 28.483 28.738 0.068 0.000 0.898 163 Q HN 0.401 nan 8.270 nan 0.000 0.424 164 L N 0.018 121.291 121.223 0.083 0.000 2.013 164 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 164 L C 2.114 179.037 176.870 0.090 0.000 1.073 164 L CA 1.686 56.581 54.840 0.093 0.000 0.753 164 L CB -0.718 41.400 42.059 0.097 0.000 0.890 164 L HN 0.119 nan 8.230 nan 0.000 0.432 165 V N -0.042 119.921 119.914 0.083 0.000 2.255 165 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 165 V C 2.559 178.685 176.094 0.054 0.000 1.051 165 V CA 2.223 64.569 62.300 0.077 0.000 1.018 165 V CB -0.745 31.120 31.823 0.070 0.000 0.641 165 V HN 0.532 nan 8.190 nan 0.000 0.445 166 E N -0.120 120.109 120.200 0.048 0.000 2.058 166 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 166 E C 2.172 178.791 176.600 0.032 0.000 0.997 166 E CA 1.654 58.075 56.400 0.035 0.000 0.801 166 E CB -0.268 29.453 29.700 0.035 0.000 0.746 166 E HN 0.566 nan 8.360 nan 0.000 0.450 167 I N 1.073 121.669 120.570 0.043 0.000 2.208 167 I HA -0.306 3.864 4.170 -0.001 0.000 0.245 167 I C 2.321 178.462 176.117 0.041 0.000 1.097 167 I CA 1.131 62.457 61.300 0.043 0.000 1.363 167 I CB -0.246 37.788 38.000 0.057 0.000 1.051 167 I HN 0.118 nan 8.210 nan 0.000 0.413 168 L N -0.053 121.200 121.223 0.050 0.000 2.156 168 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 168 L C 2.385 179.248 176.870 -0.011 0.000 1.095 168 L CA 1.161 56.023 54.840 0.036 0.000 0.770 168 L CB -0.575 41.529 42.059 0.075 0.000 0.914 168 L HN 0.242 nan 8.230 nan 0.000 0.439 169 E N 0.370 120.566 120.200 -0.006 0.000 2.204 169 E HA -0.178 4.172 4.350 -0.001 0.000 0.195 169 E C 2.175 178.763 176.600 -0.019 0.000 0.990 169 E CA 0.988 57.374 56.400 -0.024 0.000 0.821 169 E CB -0.030 29.665 29.700 -0.008 0.000 0.750 169 E HN 0.484 nan 8.360 nan 0.000 0.477 170 A N 0.842 123.659 122.820 -0.005 0.000 2.119 170 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 170 A C 1.636 179.215 177.584 -0.007 0.000 1.152 170 A CA 0.773 52.808 52.037 -0.003 0.000 0.708 170 A CB 0.085 19.089 19.000 0.006 0.000 0.805 170 A HN 0.012 nan 8.150 nan 0.000 0.460 171 K N -0.321 120.073 120.400 -0.011 0.000 2.358 171 K HA 0.307 4.627 4.320 -0.001 0.000 0.200 171 K C 0.439 177.019 176.600 -0.033 0.000 1.030 171 K CA 0.374 56.653 56.287 -0.013 0.000 1.097 171 K CB 0.484 32.985 32.500 0.001 0.000 0.862 171 K HN 0.289 nan 8.250 nan 0.000 0.534 172 A N 3.044 125.833 122.820 -0.051 0.000 2.899 172 A HA 0.004 4.324 4.320 -0.001 0.000 0.287 172 A C 0.299 177.847 177.584 -0.060 0.000 1.715 172 A CA 0.019 52.007 52.037 -0.081 0.000 1.393 172 A CB -0.371 18.563 19.000 -0.111 0.000 1.070 172 A HN 0.319 nan 8.150 nan 0.000 0.587 173 D N 0.924 121.295 120.400 -0.048 0.000 2.479 173 D HA 0.190 4.829 4.640 -0.001 0.000 0.221 173 D C 0.988 177.268 176.300 -0.033 0.000 1.104 173 D CA 0.734 54.714 54.000 -0.034 0.000 0.849 173 D CB -0.360 40.426 40.800 -0.022 0.000 1.072 173 D HN 1.107 nan 8.370 nan 0.000 0.502 174 G N 1.003 109.779 108.800 -0.040 0.000 2.142 174 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.225 174 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.225 174 G C 0.492 175.381 174.900 -0.019 0.000 1.015 174 G CA 0.561 45.641 45.100 -0.032 0.000 0.716 174 G HN 0.490 nan 8.290 nan 0.000 0.508 175 Q N -1.598 118.192 119.800 -0.017 0.000 1.891 175 Q HA 0.130 4.470 4.340 -0.001 0.000 0.206 175 Q C 0.147 176.143 176.000 -0.007 0.000 0.710 175 Q CA 0.625 56.422 55.803 -0.009 0.000 0.840 175 Q CB 0.878 29.611 28.738 -0.008 0.000 1.211 175 Q HN 0.388 nan 8.270 nan 0.000 0.424 176 T N 4.129 118.679 114.554 -0.008 0.000 2.738 176 T HA 0.356 4.706 4.350 -0.001 0.000 0.298 176 T C -2.683 172.018 174.700 0.002 0.000 0.962 176 T CA -1.223 60.876 62.100 -0.003 0.000 0.972 176 T CB 1.254 70.121 68.868 -0.003 0.000 0.928 176 T HN 0.075 nan 8.240 nan 0.000 0.474 177 P HA 0.232 nan 4.420 nan 0.000 0.267 177 P C -0.905 176.406 177.300 0.019 0.000 1.205 177 P CA -0.237 62.868 63.100 0.010 0.000 0.765 177 P CB 0.634 32.336 31.700 0.003 0.000 0.828 178 V N 2.641 122.573 119.914 0.031 0.000 2.525 178 V HA 0.182 4.302 4.120 -0.001 0.000 0.299 178 V C 0.581 176.697 176.094 0.037 0.000 1.034 178 V CA -0.664 61.663 62.300 0.045 0.000 0.863 178 V CB 1.728 33.592 31.823 0.068 0.000 0.999 178 V HN 0.596 nan 8.190 nan 0.000 0.423 179 S N 5.688 121.400 115.700 0.019 0.000 2.465 179 S HA 0.135 4.605 4.470 -0.001 0.000 0.307 179 S C 1.295 175.878 174.600 -0.027 0.000 1.187 179 S CA -0.487 57.703 58.200 -0.016 0.000 1.141 179 S CB 0.069 63.253 63.200 -0.026 0.000 1.108 179 S HN 0.583 nan 8.310 nan 0.000 0.525 180 M N 3.936 123.508 119.600 -0.046 0.000 2.319 180 M HA -0.043 4.437 4.480 -0.001 0.000 0.265 180 M C 2.063 178.285 176.300 -0.130 0.000 1.068 180 M CA 1.204 56.461 55.300 -0.071 0.000 1.118 180 M CB -1.277 31.256 32.600 -0.113 0.000 1.395 180 M HN 0.825 nan 8.290 nan 0.000 0.435 181 Q N 0.578 120.285 119.800 -0.155 0.000 2.079 181 Q HA -0.177 4.162 4.340 -0.001 0.000 0.200 181 Q C 1.340 177.206 176.000 -0.224 0.000 0.974 181 Q CA 1.691 57.379 55.803 -0.192 0.000 0.840 181 Q CB 0.228 28.851 28.738 -0.193 0.000 0.898 181 Q HN 0.389 nan 8.270 nan 0.000 0.430 182 D N -0.283 119.975 120.400 -0.237 0.000 2.103 182 D HA -0.137 4.502 4.640 -0.001 0.000 0.199 182 D C 1.890 177.851 176.300 -0.564 0.000 0.978 182 D CA 1.002 54.735 54.000 -0.445 0.000 0.829 182 D CB -0.115 40.515 40.800 -0.284 0.000 0.981 182 D HN 0.300 nan 8.370 nan 0.000 0.464 183 M N 0.400 119.893 119.600 -0.180 0.000 2.108 183 M HA -0.098 4.382 4.480 -0.001 0.000 0.261 183 M C 2.445 178.741 176.300 -0.006 0.000 1.066 183 M CA 0.983 56.295 55.300 0.021 0.000 1.107 183 M CB -1.002 31.646 32.600 0.079 0.000 1.356 183 M HN 0.047 nan 8.290 nan 0.000 0.406 184 L N -1.052 120.123 121.223 -0.080 0.000 2.109 184 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 184 L C 2.411 179.252 176.870 -0.048 0.000 1.086 184 L CA 0.961 55.767 54.840 -0.058 0.000 0.760 184 L CB -0.850 41.149 42.059 -0.101 0.000 0.910 184 L HN 0.282 nan 8.230 nan 0.000 0.437 185 T N -1.035 113.436 114.554 -0.139 0.000 2.684 185 T HA -0.208 4.141 4.350 -0.001 0.000 0.267 185 T C 1.733 176.452 174.700 0.032 0.000 1.036 185 T CA 1.561 63.609 62.100 -0.087 0.000 1.148 185 T CB -0.323 68.420 68.868 -0.209 0.000 0.863 185 T HN 0.175 nan 8.240 nan 0.000 0.436 186 Y N 1.947 122.290 120.300 0.072 0.000 2.181 186 Y HA -0.120 4.429 4.550 -0.001 0.000 0.288 186 Y C 2.980 178.924 175.900 0.073 0.000 1.146 186 Y CA 0.648 58.788 58.100 0.067 0.000 1.164 186 Y CB -1.684 36.811 38.460 0.059 0.000 0.982 186 Y HN 0.204 nan 8.280 nan 0.000 0.515 187 T N 0.053 114.739 114.554 0.219 0.000 2.708 187 T HA -0.207 4.142 4.350 -0.001 0.000 0.266 187 T C 2.271 177.061 174.700 0.150 0.000 1.037 187 T CA 1.577 63.771 62.100 0.158 0.000 1.146 187 T CB -0.749 68.185 68.868 0.109 0.000 0.865 187 T HN 0.421 nan 8.240 nan 0.000 0.435 188 A N 1.061 123.963 122.820 0.138 0.000 1.933 188 A HA -0.053 4.267 4.320 -0.001 0.000 0.218 188 A C 2.254 179.957 177.584 0.198 0.000 1.175 188 A CA 1.813 53.950 52.037 0.167 0.000 0.628 188 A CB -0.650 18.441 19.000 0.151 0.000 0.814 188 A HN 0.422 nan 8.150 nan 0.000 0.444 189 M N 0.026 119.718 119.600 0.153 0.000 2.099 189 M HA -0.101 4.378 4.480 -0.001 0.000 0.262 189 M C 1.196 177.543 176.300 0.079 0.000 1.067 189 M CA 2.037 57.333 55.300 -0.006 0.000 1.124 189 M CB -0.391 32.177 32.600 -0.052 0.000 1.353 189 M HN 0.332 nan 8.290 nan 0.000 0.410 190 D N 0.046 120.535 120.400 0.147 0.000 2.117 190 D HA -0.125 4.515 4.640 -0.001 0.000 0.197 190 D C 2.090 178.502 176.300 0.187 0.000 0.987 190 D CA 1.576 55.675 54.000 0.165 0.000 0.829 190 D CB -0.397 40.494 40.800 0.151 0.000 0.961 190 D HN 0.437 nan 8.370 nan 0.000 0.460 191 I N 0.807 121.505 120.570 0.214 0.000 2.163 191 I HA -0.225 3.945 4.170 -0.001 0.000 0.243 191 I C 2.439 178.767 176.117 0.350 0.000 1.085 191 I CA 0.644 62.119 61.300 0.292 0.000 1.347 191 I CB -0.092 38.100 38.000 0.320 0.000 1.044 191 I HN 0.083 nan 8.210 nan 0.000 0.408 192 L N 1.033 122.448 121.223 0.319 0.000 2.005 192 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 192 L C 2.743 179.753 176.870 0.234 0.000 1.072 192 L CA 2.389 57.397 54.840 0.279 0.000 0.744 192 L CB -1.121 41.034 42.059 0.161 0.000 0.895 192 L HN 0.258 nan 8.230 nan 0.000 0.433 193 A N 0.226 123.224 122.820 0.296 0.000 1.948 193 A HA -0.309 4.010 4.320 -0.001 0.000 0.220 193 A C 2.290 180.082 177.584 0.346 0.000 1.177 193 A CA 2.411 54.768 52.037 0.533 0.000 0.636 193 A CB -0.503 18.822 19.000 0.542 0.000 0.815 193 A HN 0.506 nan 8.150 nan 0.000 0.449 194 K N -0.229 120.287 120.400 0.193 0.000 2.021 194 K HA 0.225 4.545 4.320 -0.001 0.000 0.205 194 K C 2.046 178.674 176.600 0.047 0.000 1.047 194 K CA 1.554 57.898 56.287 0.094 0.000 0.943 194 K CB -0.757 31.786 32.500 0.072 0.000 0.725 194 K HN 0.251 nan 8.250 nan 0.000 0.439 195 A N 0.445 123.313 122.820 0.080 0.000 1.978 195 A HA -0.061 4.258 4.320 -0.001 0.000 0.220 195 A C 2.290 179.828 177.584 -0.075 0.000 1.170 195 A CA 2.247 54.309 52.037 0.042 0.000 0.636 195 A CB -0.874 18.273 19.000 0.245 0.000 0.810 195 A HN 0.470 nan 8.150 nan 0.000 0.448 196 A N -2.210 120.487 122.820 -0.205 0.000 1.956 196 A HA 0.427 4.746 4.320 -0.001 0.000 0.212 196 A C 1.529 178.697 177.584 -0.693 0.000 1.188 196 A CA 0.989 52.638 52.037 -0.647 0.000 0.675 196 A CB -0.112 18.217 19.000 -1.119 0.000 0.845 196 A HN 0.494 nan 8.150 nan 0.000 0.455 197 F N -1.704 118.312 119.950 0.111 0.000 2.767 197 F HA 0.397 4.924 4.527 -0.000 0.000 0.323 197 F C 1.662 177.450 175.800 -0.020 0.000 1.091 197 F CA 0.351 58.428 58.000 0.128 0.000 1.192 197 F CB 0.657 39.889 39.000 0.387 0.000 1.056 197 F HN 0.312 nan 8.300 nan 0.000 0.571 198 G N 1.017 109.860 108.800 0.070 0.000 2.153 198 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.252 198 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.252 198 G C 0.138 174.982 174.900 -0.094 0.000 0.994 198 G CA -0.017 45.073 45.100 -0.017 0.000 0.698 198 G HN 0.105 nan 8.290 nan 0.000 0.521 199 M N 0.496 120.002 119.600 -0.158 0.000 2.363 199 M HA 0.441 4.921 4.480 -0.001 0.000 0.343 199 M C -0.062 176.148 176.300 -0.149 0.000 1.165 199 M CA -0.561 54.512 55.300 -0.378 0.000 1.046 199 M CB 1.476 33.351 32.600 -1.208 0.000 1.648 199 M HN 0.066 nan 8.290 nan 0.000 0.452 200 E N 1.819 121.959 120.200 -0.100 0.000 2.134 200 E HA 0.287 4.637 4.350 -0.001 0.000 0.278 200 E C 0.666 177.314 176.600 0.080 0.000 0.959 200 E CA -0.017 56.393 56.400 0.017 0.000 0.783 200 E CB 1.379 31.086 29.700 0.011 0.000 1.095 200 E HN 0.724 nan 8.360 nan 0.000 0.399 201 T N -2.067 112.586 114.554 0.165 0.000 3.040 201 T HA -0.021 4.329 4.350 -0.001 0.000 0.252 201 T C 0.842 175.621 174.700 0.132 0.000 1.064 201 T CA -0.032 62.200 62.100 0.220 0.000 1.110 201 T CB 0.033 69.094 68.868 0.321 0.000 0.921 201 T HN 0.302 nan 8.240 nan 0.000 0.480 202 S N 1.302 117.063 115.700 0.101 0.000 3.491 202 S HA -0.194 4.276 4.470 -0.001 0.000 0.371 202 S C 0.952 175.557 174.600 0.009 0.000 0.980 202 S CA 0.737 58.971 58.200 0.057 0.000 1.204 202 S CB -1.998 61.227 63.200 0.042 0.000 0.915 202 S HN 0.596 nan 8.310 nan 0.000 0.482 203 M N -0.428 119.174 119.600 0.003 0.000 2.279 203 M HA -0.070 4.409 4.480 -0.001 0.000 0.264 203 M C 2.009 178.105 176.300 -0.341 0.000 1.062 203 M CA 1.467 56.664 55.300 -0.171 0.000 1.099 203 M CB -0.307 32.244 32.600 -0.082 0.000 1.394 203 M HN 0.496 nan 8.290 nan 0.000 0.426 204 L N -0.018 121.149 121.223 -0.092 0.000 2.131 204 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 204 L C 1.919 178.757 176.870 -0.053 0.000 1.092 204 L CA 0.982 55.807 54.840 -0.024 0.000 0.759 204 L CB -0.394 41.714 42.059 0.081 0.000 0.903 204 L HN 0.349 nan 8.230 nan 0.000 0.435 205 L N -0.658 120.536 121.223 -0.048 0.000 2.612 205 L HA 0.159 4.499 4.340 -0.001 0.000 0.230 205 L C 1.312 178.145 176.870 -0.061 0.000 1.140 205 L CA 0.490 55.310 54.840 -0.033 0.000 0.896 205 L CB -0.315 41.740 42.059 -0.007 0.000 1.065 205 L HN 0.460 nan 8.230 nan 0.000 0.447 206 G N -0.057 108.665 108.800 -0.130 0.000 2.141 206 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.231 206 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.231 206 G C 0.275 175.116 174.900 -0.099 0.000 0.984 206 G CA 0.005 45.022 45.100 -0.137 0.000 0.660 206 G HN 0.483 nan 8.290 nan 0.000 0.525 207 A N -0.722 122.050 122.820 -0.081 0.000 2.242 207 A HA 0.737 5.057 4.320 -0.001 0.000 0.304 207 A C 1.169 178.750 177.584 -0.005 0.000 1.100 207 A CA 0.794 52.818 52.037 -0.021 0.000 0.860 207 A CB 0.302 19.311 19.000 0.014 0.000 1.168 207 A HN 1.172 nan 8.150 nan 0.000 0.503 208 Q N -0.745 119.086 119.800 0.052 0.000 2.451 208 Q HA -0.166 4.174 4.340 -0.001 0.000 0.305 208 Q C 0.718 176.759 176.000 0.068 0.000 1.345 208 Q CA 0.868 56.732 55.803 0.101 0.000 0.854 208 Q CB -1.150 27.689 28.738 0.168 0.000 1.162 208 Q HN 0.812 nan 8.270 nan 0.000 0.440 209 K N -0.761 119.656 120.400 0.028 0.000 2.057 209 K HA -0.089 4.230 4.320 -0.001 0.000 0.207 209 K C -0.666 175.930 176.600 -0.006 0.000 1.049 209 K CA 1.418 57.712 56.287 0.011 0.000 0.931 209 K CB -0.619 31.880 32.500 -0.003 0.000 0.714 209 K HN 0.313 nan 8.250 nan 0.000 0.440 210 P HA -0.117 nan 4.420 nan 0.000 0.217 210 P C 1.521 178.646 177.300 -0.291 0.000 1.150 210 P CA 0.647 63.640 63.100 -0.177 0.000 0.832 210 P CB 0.040 31.640 31.700 -0.167 0.000 0.787 211 L N 0.251 121.437 121.223 -0.062 0.000 2.046 211 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 211 L C 2.267 179.188 176.870 0.084 0.000 1.077 211 L CA 2.366 57.254 54.840 0.081 0.000 0.747 211 L CB -1.469 40.771 42.059 0.301 0.000 0.896 211 L HN -0.000 nan 8.230 nan 0.000 0.432 212 S N -1.291 114.474 115.700 0.108 0.000 2.368 212 S HA -0.269 4.200 4.470 -0.001 0.000 0.224 212 S C 1.982 176.638 174.600 0.092 0.000 1.029 212 S CA 1.023 59.316 58.200 0.155 0.000 0.988 212 S CB -0.731 62.613 63.200 0.239 0.000 0.838 212 S HN 0.615 nan 8.310 nan 0.000 0.462 213 Q N 2.356 122.169 119.800 0.020 0.000 2.061 213 Q HA -0.018 4.322 4.340 -0.001 0.000 0.204 213 Q C 2.170 178.146 176.000 -0.041 0.000 0.984 213 Q CA 2.101 57.893 55.803 -0.019 0.000 0.846 213 Q CB -1.044 27.653 28.738 -0.067 0.000 0.902 213 Q HN 0.647 nan 8.270 nan 0.000 0.421 214 A N -0.339 122.415 122.820 -0.111 0.000 1.908 214 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 214 A C 2.311 179.909 177.584 0.023 0.000 1.181 214 A CA 1.690 53.668 52.037 -0.098 0.000 0.627 214 A CB -0.917 17.955 19.000 -0.214 0.000 0.818 214 A HN 0.306 nan 8.150 nan 0.000 0.445 215 V N 0.454 120.421 119.914 0.089 0.000 2.295 215 V HA -0.299 3.820 4.120 -0.001 0.000 0.246 215 V C 2.558 178.733 176.094 0.136 0.000 1.049 215 V CA 2.441 64.843 62.300 0.170 0.000 1.024 215 V CB -0.693 31.288 31.823 0.264 0.000 0.648 215 V HN 0.732 nan 8.190 nan 0.000 0.447 216 K N 0.082 120.542 120.400 0.100 0.000 1.991 216 K HA -0.205 4.114 4.320 -0.001 0.000 0.212 216 K C 2.183 178.819 176.600 0.060 0.000 1.049 216 K CA 1.930 58.260 56.287 0.072 0.000 0.932 216 K CB -0.325 32.204 32.500 0.048 0.000 0.717 216 K HN 0.395 nan 8.250 nan 0.000 0.441 217 L N 0.992 122.240 121.223 0.042 0.000 2.042 217 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 217 L C 2.889 179.800 176.870 0.068 0.000 1.076 217 L CA 1.146 56.008 54.840 0.038 0.000 0.749 217 L CB -0.535 41.529 42.059 0.007 0.000 0.893 217 L HN 0.450 nan 8.230 nan 0.000 0.432 218 M N 0.362 120.007 119.600 0.075 0.000 2.080 218 M HA -0.227 4.252 4.480 -0.001 0.000 0.260 218 M C 2.243 178.612 176.300 0.115 0.000 1.068 218 M CA 2.064 57.422 55.300 0.096 0.000 1.109 218 M CB -0.634 32.015 32.600 0.082 0.000 1.342 218 M HN 0.232 nan 8.290 nan 0.000 0.405 219 L N -0.195 121.094 121.223 0.111 0.000 2.141 219 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 219 L C 2.226 179.149 176.870 0.088 0.000 1.094 219 L CA 1.127 56.029 54.840 0.103 0.000 0.763 219 L CB -0.586 41.528 42.059 0.091 0.000 0.908 219 L HN 0.366 nan 8.230 nan 0.000 0.437 220 E N -0.068 120.184 120.200 0.087 0.000 2.152 220 E HA -0.110 4.239 4.350 -0.001 0.000 0.192 220 E C 2.247 178.930 176.600 0.138 0.000 0.983 220 E CA 0.799 57.252 56.400 0.089 0.000 0.818 220 E CB -0.154 29.586 29.700 0.066 0.000 0.758 220 E HN 0.521 nan 8.360 nan 0.000 0.467 221 G N 1.492 110.399 108.800 0.177 0.000 2.408 221 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.217 221 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.217 221 G C 1.529 176.554 174.900 0.208 0.000 1.150 221 G CA 0.278 45.578 45.100 0.333 0.000 0.776 221 G HN 0.077 nan 8.290 nan 0.000 0.542 222 I N 1.761 122.395 120.570 0.106 0.000 2.179 222 I HA -0.139 4.031 4.170 -0.001 0.000 0.242 222 I C 2.878 178.991 176.117 -0.007 0.000 1.088 222 I CA 1.627 62.938 61.300 0.017 0.000 1.357 222 I CB -1.536 36.491 38.000 0.044 0.000 1.051 222 I HN 0.126 nan 8.210 nan 0.000 0.409 223 T N 1.221 115.805 114.554 0.050 0.000 2.833 223 T HA -0.080 4.270 4.350 -0.001 0.000 0.269 223 T C 1.940 176.695 174.700 0.092 0.000 1.054 223 T CA 1.395 63.532 62.100 0.063 0.000 1.135 223 T CB -0.226 68.687 68.868 0.075 0.000 0.869 223 T HN 0.460 nan 8.240 nan 0.000 0.466 224 A N 0.964 123.869 122.820 0.141 0.000 2.021 224 A HA 0.109 4.428 4.320 -0.001 0.000 0.216 224 A C 2.521 180.201 177.584 0.159 0.000 1.163 224 A CA 1.063 53.225 52.037 0.209 0.000 0.676 224 A CB -0.384 18.821 19.000 0.341 0.000 0.818 224 A HN 0.414 nan 8.150 nan 0.000 0.453 225 S N 0.178 115.854 115.700 -0.040 0.000 2.357 225 S HA -0.119 4.351 4.470 -0.001 0.000 0.221 225 S C 2.111 176.686 174.600 -0.042 0.000 1.031 225 S CA 1.272 59.319 58.200 -0.254 0.000 0.982 225 S CB -0.276 62.629 63.200 -0.491 0.000 0.853 225 S HN 0.831 nan 8.310 nan 0.000 0.458 226 R N 1.071 121.518 120.500 -0.089 0.000 2.210 226 R HA 0.204 4.544 4.340 -0.001 0.000 0.203 226 R C -0.279 176.094 176.300 0.123 0.000 1.010 226 R CA 0.553 56.557 56.100 -0.161 0.000 1.008 226 R CB -0.251 29.636 30.300 -0.688 0.000 0.923 226 R HN 0.184 nan 8.270 nan 0.000 0.469 227 N N 2.108 120.931 118.700 0.205 0.000 3.228 227 N HA 0.163 4.902 4.740 -0.001 0.000 0.289 227 N C -0.995 174.668 175.510 0.255 0.000 1.419 227 N CA 0.064 53.274 53.050 0.266 0.000 1.088 227 N CB 1.565 40.180 38.487 0.213 0.000 1.357 227 N HN 0.159 nan 8.380 nan 0.000 0.504 237 R N 1.706 122.163 120.500 -0.073 0.000 2.195 237 R HA 0.190 4.530 4.340 -0.001 0.000 0.197 237 R C 2.030 178.280 176.300 -0.084 0.000 0.990 237 R CA 0.606 56.656 56.100 -0.082 0.000 1.048 237 R CB 0.448 30.715 30.300 -0.055 0.000 0.997 237 R HN -0.092 nan 8.270 nan 0.000 0.502 238 K N 0.700 121.060 120.400 -0.067 0.000 2.097 238 K HA -0.178 4.142 4.320 -0.001 0.000 0.205 238 K C 1.891 178.446 176.600 -0.075 0.000 1.050 238 K CA 1.376 57.627 56.287 -0.060 0.000 0.938 238 K CB 0.070 32.544 32.500 -0.043 0.000 0.718 238 K HN 0.205 nan 8.250 nan 0.000 0.442 239 Q N 0.382 120.129 119.800 -0.088 0.000 2.084 239 Q HA -0.162 4.177 4.340 -0.001 0.000 0.202 239 Q C 2.103 178.000 176.000 -0.171 0.000 0.978 239 Q CA 0.900 56.640 55.803 -0.104 0.000 0.844 239 Q CB 0.047 28.728 28.738 -0.095 0.000 0.898 239 Q HN 0.245 nan 8.270 nan 0.000 0.426 240 L N 1.276 122.352 121.223 -0.245 0.000 2.046 240 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 240 L C 2.528 179.275 176.870 -0.206 0.000 1.077 240 L CA 1.837 56.458 54.840 -0.366 0.000 0.747 240 L CB -1.034 40.808 42.059 -0.361 0.000 0.896 240 L HN 0.321 nan 8.230 nan 0.000 0.432 241 R N -0.415 120.008 120.500 -0.129 0.000 2.092 241 R HA -0.208 4.131 4.340 -0.001 0.000 0.231 241 R C 2.034 178.298 176.300 -0.061 0.000 1.119 241 R CA 1.555 57.609 56.100 -0.077 0.000 0.970 241 R CB 0.058 30.323 30.300 -0.058 0.000 0.864 241 R HN 0.242 nan 8.270 nan 0.000 0.440 242 E N -0.441 119.718 120.200 -0.068 0.000 2.152 242 E HA -0.086 4.264 4.350 -0.001 0.000 0.192 242 E C 1.796 178.373 176.600 -0.038 0.000 0.983 242 E CA 0.865 57.234 56.400 -0.051 0.000 0.818 242 E CB 0.206 29.875 29.700 -0.051 0.000 0.758 242 E HN 0.117 nan 8.360 nan 0.000 0.467 243 V N 0.407 120.294 119.914 -0.045 0.000 2.323 243 V HA -0.188 3.932 4.120 -0.001 0.000 0.244 243 V C 2.209 178.323 176.094 0.033 0.000 1.041 243 V CA 1.674 63.979 62.300 0.008 0.000 1.025 243 V CB -0.343 31.499 31.823 0.031 0.000 0.656 243 V HN 0.207 nan 8.190 nan 0.000 0.451 244 R N -0.062 120.446 120.500 0.013 0.000 2.091 244 R HA -0.206 4.133 4.340 -0.001 0.000 0.238 244 R C 2.271 178.587 176.300 0.027 0.000 1.136 244 R CA 1.830 57.950 56.100 0.033 0.000 0.959 244 R CB -0.311 29.998 30.300 0.016 0.000 0.856 244 R HN 0.631 nan 8.270 nan 0.000 0.437 245 E N -0.041 120.168 120.200 0.015 0.000 2.106 245 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 245 E C 2.051 178.684 176.600 0.055 0.000 0.984 245 E CA 1.253 57.670 56.400 0.029 0.000 0.806 245 E CB 0.047 29.754 29.700 0.012 0.000 0.750 245 E HN 0.190 nan 8.360 nan 0.000 0.458 246 S N 0.728 116.444 115.700 0.027 0.000 2.383 246 S HA -0.094 4.375 4.470 -0.001 0.000 0.227 246 S C 1.996 176.632 174.600 0.061 0.000 1.026 246 S CA 0.734 58.951 58.200 0.028 0.000 0.981 246 S CB -0.103 63.096 63.200 -0.003 0.000 0.818 246 S HN 0.206 nan 8.310 nan 0.000 0.472 247 I N 1.123 121.716 120.570 0.038 0.000 2.315 247 I HA -0.138 4.032 4.170 -0.001 0.000 0.248 247 I C 2.583 178.693 176.117 -0.012 0.000 1.117 247 I CA 0.972 62.275 61.300 0.005 0.000 1.404 247 I CB -0.257 37.749 38.000 0.010 0.000 1.071 247 I HN 0.168 nan 8.210 nan 0.000 0.419 248 R N 0.065 120.573 120.500 0.012 0.000 2.075 248 R HA -0.156 4.184 4.340 -0.001 0.000 0.232 248 R C 2.346 178.627 176.300 -0.031 0.000 1.126 248 R CA 1.484 57.575 56.100 -0.015 0.000 0.963 248 R CB -0.502 29.800 30.300 0.003 0.000 0.858 248 R HN 0.234 nan 8.270 nan 0.000 0.435 249 F N 1.624 121.504 119.950 -0.117 0.000 2.102 249 F HA -0.181 4.347 4.527 0.001 0.000 0.298 249 F C 2.009 177.672 175.800 -0.227 0.000 1.105 249 F CA 1.428 59.342 58.000 -0.144 0.000 1.239 249 F CB -0.147 38.790 39.000 -0.105 0.000 0.991 249 F HN -0.106 nan 8.300 nan 0.000 0.474 250 L N -0.202 121.013 121.223 -0.014 0.000 2.017 250 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 250 L C 2.566 179.225 176.870 -0.353 0.000 1.073 250 L CA 1.582 56.290 54.840 -0.220 0.000 0.745 250 L CB -0.609 41.351 42.059 -0.165 0.000 0.894 250 L HN 0.002 nan 8.230 nan 0.000 0.432 251 R N -0.840 119.499 120.500 -0.267 0.000 2.148 251 R HA -0.160 4.180 4.340 -0.001 0.000 0.223 251 R C 2.277 178.338 176.300 -0.399 0.000 1.088 251 R CA 0.811 56.731 56.100 -0.301 0.000 0.985 251 R CB -0.162 30.029 30.300 -0.182 0.000 0.880 251 R HN 0.240 nan 8.270 nan 0.000 0.451 252 Q N 0.791 120.358 119.800 -0.389 0.000 2.079 252 Q HA -0.071 4.269 4.340 -0.001 0.000 0.200 252 Q C 1.932 177.605 176.000 -0.546 0.000 0.974 252 Q CA 1.415 56.968 55.803 -0.417 0.000 0.840 252 Q CB -0.154 28.343 28.738 -0.402 0.000 0.898 252 Q HN 0.082 nan 8.270 nan 0.000 0.430 253 V N 0.215 119.703 119.914 -0.710 0.000 2.332 253 V HA -0.241 3.878 4.120 -0.001 0.000 0.248 253 V C 2.152 177.568 176.094 -1.131 0.000 1.055 253 V CA 1.950 63.723 62.300 -0.879 0.000 1.038 253 V CB -1.367 29.877 31.823 -0.965 0.000 0.651 253 V HN 0.596 nan 8.190 nan 0.000 0.450 254 G N -0.422 107.561 108.800 -1.361 0.000 2.514 254 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.217 254 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.217 254 G C 1.708 176.069 174.900 -0.899 0.000 1.198 254 G CA 1.009 44.955 45.100 -1.923 0.000 0.780 254 G HN 0.412 nan 8.290 nan 0.000 0.565 255 R N 0.276 120.437 120.500 -0.565 0.000 2.096 255 R HA -0.111 4.229 4.340 -0.001 0.000 0.240 255 R C 2.330 178.502 176.300 -0.214 0.000 1.139 255 R CA 1.709 57.623 56.100 -0.310 0.000 0.952 255 R CB -0.341 29.814 30.300 -0.241 0.000 0.854 255 R HN 0.310 nan 8.270 nan 0.000 0.436 256 D N -0.733 119.536 120.400 -0.219 0.000 2.117 256 D HA -0.183 4.457 4.640 -0.001 0.000 0.197 256 D C 1.647 178.018 176.300 0.118 0.000 0.987 256 D CA 1.014 54.984 54.000 -0.050 0.000 0.829 256 D CB -0.242 40.541 40.800 -0.029 0.000 0.961 256 D HN 0.294 nan 8.370 nan 0.000 0.460 257 W N 0.874 122.018 121.300 -0.260 0.000 2.467 257 W HA 0.033 4.692 4.660 -0.001 0.000 0.275 257 W C 2.284 178.741 176.519 -0.104 0.000 1.239 257 W CA -0.081 57.168 57.345 -0.161 0.000 1.266 257 W CB -0.972 28.378 29.460 -0.183 0.000 1.112 257 W HN -0.165 nan 8.180 nan 0.000 0.576 258 V N 0.277 120.218 119.914 0.046 0.000 2.453 258 V HA -0.246 3.873 4.120 -0.001 0.000 0.247 258 V C 2.438 178.547 176.094 0.025 0.000 1.048 258 V CA 1.557 63.876 62.300 0.033 0.000 1.049 258 V CB -0.567 31.234 31.823 -0.037 0.000 0.672 258 V HN 0.064 nan 8.190 nan 0.000 0.457 259 Q N -0.240 119.561 119.800 0.001 0.000 2.172 259 Q HA -0.105 4.234 4.340 -0.001 0.000 0.200 259 Q C 2.373 178.376 176.000 0.006 0.000 0.964 259 Q CA 1.251 57.052 55.803 -0.004 0.000 0.855 259 Q CB -0.319 28.407 28.738 -0.021 0.000 0.918 259 Q HN 0.551 nan 8.270 nan 0.000 0.444 260 R N 0.177 120.686 120.500 0.016 0.000 2.096 260 R HA -0.111 4.229 4.340 -0.001 0.000 0.235 260 R C 2.247 178.547 176.300 0.000 0.000 1.127 260 R CA 1.225 57.324 56.100 -0.003 0.000 0.968 260 R CB 0.005 30.287 30.300 -0.031 0.000 0.861 260 R HN -0.032 nan 8.270 nan 0.000 0.440 261 R N 0.806 121.320 120.500 0.025 0.000 2.090 261 R HA -0.004 4.336 4.340 -0.001 0.000 0.228 261 R C 1.891 178.202 176.300 0.020 0.000 1.110 261 R CA 1.474 57.592 56.100 0.031 0.000 0.973 261 R CB -0.074 30.269 30.300 0.071 0.000 0.869 261 R HN 0.073 nan 8.270 nan 0.000 0.440 262 R N -0.301 120.210 120.500 0.019 0.000 2.090 262 R HA -0.042 4.298 4.340 -0.001 0.000 0.228 262 R C 1.889 178.190 176.300 0.002 0.000 1.110 262 R CA 1.421 57.527 56.100 0.010 0.000 0.973 262 R CB -0.120 30.185 30.300 0.008 0.000 0.869 262 R HN 0.137 nan 8.270 nan 0.000 0.440 263 E N 0.484 120.683 120.200 -0.002 0.000 2.150 263 E HA -0.078 4.272 4.350 -0.001 0.000 0.193 263 E C 1.748 178.343 176.600 -0.008 0.000 0.985 263 E CA 1.259 57.655 56.400 -0.006 0.000 0.814 263 E CB -0.082 29.613 29.700 -0.009 0.000 0.752 263 E HN 0.340 nan 8.360 nan 0.000 0.466 264 A N -0.020 122.795 122.820 -0.008 0.000 1.929 264 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 264 A C 2.136 179.715 177.584 -0.008 0.000 1.176 264 A CA 0.899 52.930 52.037 -0.010 0.000 0.628 264 A CB -0.498 18.495 19.000 -0.013 0.000 0.816 264 A HN 0.234 nan 8.150 nan 0.000 0.444 265 L N -0.779 120.442 121.223 -0.004 0.000 2.093 265 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 265 L C 2.550 179.417 176.870 -0.005 0.000 1.085 265 L CA 1.405 56.243 54.840 -0.004 0.000 0.755 265 L CB -0.289 41.770 42.059 -0.000 0.000 0.904 265 L HN 0.307 nan 8.230 nan 0.000 0.435 266 K N 0.299 120.696 120.400 -0.005 0.000 2.097 266 K HA -0.160 4.160 4.320 -0.001 0.000 0.205 266 K C 1.876 178.472 176.600 -0.007 0.000 1.050 266 K CA 1.254 57.537 56.287 -0.006 0.000 0.938 266 K CB -0.060 32.436 32.500 -0.006 0.000 0.718 266 K HN 0.353 nan 8.250 nan 0.000 0.442 267 R N -0.307 120.188 120.500 -0.008 0.000 2.325 267 R HA 0.064 4.403 4.340 -0.001 0.000 0.214 267 R C 0.887 177.181 176.300 -0.010 0.000 0.961 267 R CA 0.806 56.900 56.100 -0.009 0.000 1.086 267 R CB 0.117 30.411 30.300 -0.010 0.000 1.037 267 R HN 0.218 nan 8.270 nan 0.000 0.493 268 G N 0.522 109.317 108.800 -0.010 0.000 2.241 268 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.244 268 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.244 268 G C -0.226 174.667 174.900 -0.012 0.000 0.998 268 G CA 0.136 45.230 45.100 -0.010 0.000 0.621 268 G HN 0.514 nan 8.290 nan 0.000 0.519 269 E N 1.326 121.518 120.200 -0.013 0.000 2.442 269 E HA 0.312 4.662 4.350 -0.001 0.000 0.262 269 E C 0.114 176.705 176.600 -0.016 0.000 1.004 269 E CA 0.320 56.711 56.400 -0.015 0.000 0.928 269 E CB 0.538 30.228 29.700 -0.017 0.000 0.937 269 E HN 0.496 nan 8.360 nan 0.000 0.446 270 E N 1.579 121.768 120.200 -0.019 0.000 2.227 270 E HA 0.226 4.576 4.350 -0.001 0.000 0.282 270 E C -0.749 175.837 176.600 -0.024 0.000 1.015 270 E CA -0.534 55.854 56.400 -0.021 0.000 0.823 270 E CB 1.429 31.116 29.700 -0.022 0.000 1.081 270 E HN 0.248 nan 8.360 nan 0.000 0.396 271 V N 1.148 121.047 119.914 -0.024 0.000 2.555 271 V HA 0.494 4.614 4.120 -0.001 0.000 0.302 271 V C -2.330 173.743 176.094 -0.036 0.000 1.038 271 V CA -2.401 59.882 62.300 -0.028 0.000 0.887 271 V CB 0.848 32.659 31.823 -0.020 0.000 0.991 271 V HN 0.518 nan 8.190 nan 0.000 0.434 272 P HA 0.356 nan 4.420 nan 0.000 0.265 272 P C 0.052 177.312 177.300 -0.066 0.000 1.193 272 P CA 0.267 63.333 63.100 -0.057 0.000 0.765 272 P CB 0.441 32.103 31.700 -0.064 0.000 0.823 273 A N 3.061 125.836 122.820 -0.074 0.000 2.477 273 A HA 0.440 4.760 4.320 -0.001 0.000 0.246 273 A C 0.339 177.850 177.584 -0.122 0.000 1.078 273 A CA 0.187 52.171 52.037 -0.087 0.000 0.770 273 A CB -0.240 18.710 19.000 -0.083 0.000 1.011 273 A HN 0.691 nan 8.150 nan 0.000 0.494 274 D N 0.690 121.002 120.400 -0.145 0.000 3.103 274 D HA 0.214 4.854 4.640 -0.001 0.000 0.337 274 D C 0.524 176.653 176.300 -0.285 0.000 1.356 274 D CA -0.520 53.351 54.000 -0.215 0.000 0.951 274 D CB -0.154 40.532 40.800 -0.191 0.000 1.438 274 D HN 0.182 nan 8.370 nan 0.000 0.562 275 I N -0.410 119.912 120.570 -0.413 0.000 2.179 275 I HA -0.143 4.026 4.170 -0.001 0.000 0.242 275 I C 2.238 178.153 176.117 -0.337 0.000 1.088 275 I CA 0.812 61.792 61.300 -0.532 0.000 1.357 275 I CB -0.208 37.317 38.000 -0.791 0.000 1.051 275 I HN 0.253 nan 8.210 nan 0.000 0.409 276 L N 0.435 121.530 121.223 -0.214 0.000 2.079 276 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 276 L C 2.457 179.348 176.870 0.036 0.000 1.081 276 L CA 2.079 56.958 54.840 0.065 0.000 0.752 276 L CB -0.940 41.284 42.059 0.276 0.000 0.896 276 L HN 0.210 nan 8.230 nan 0.000 0.433 277 T N -0.920 113.613 114.554 -0.034 0.000 2.746 277 T HA -0.168 4.182 4.350 -0.001 0.000 0.267 277 T C 1.757 176.438 174.700 -0.031 0.000 1.039 277 T CA 1.460 63.543 62.100 -0.028 0.000 1.142 277 T CB -0.138 68.697 68.868 -0.055 0.000 0.866 277 T HN 0.381 nan 8.240 nan 0.000 0.444 278 Q N 0.753 120.512 119.800 -0.067 0.000 2.269 278 Q HA 0.167 4.507 4.340 -0.001 0.000 0.201 278 Q C 2.474 178.464 176.000 -0.017 0.000 0.946 278 Q CA 0.615 56.387 55.803 -0.053 0.000 0.877 278 Q CB -0.477 28.215 28.738 -0.078 0.000 0.963 278 Q HN 0.759 nan 8.270 nan 0.000 0.472 279 I N -3.200 117.367 120.570 -0.004 0.000 2.928 279 I HA -0.072 4.098 4.170 -0.001 0.000 0.266 279 I C 1.777 177.946 176.117 0.086 0.000 1.234 279 I CA 0.653 61.994 61.300 0.068 0.000 1.483 279 I CB -0.234 37.844 38.000 0.131 0.000 1.097 279 I HN -0.036 nan 8.210 nan 0.000 0.455 280 L N 0.894 122.158 121.223 0.069 0.000 2.162 280 L HA -0.011 4.329 4.340 -0.001 0.000 0.205 280 L C 2.563 179.453 176.870 0.034 0.000 1.086 280 L CA 0.940 55.815 54.840 0.059 0.000 0.778 280 L CB -0.342 41.752 42.059 0.058 0.000 0.928 280 L HN 0.150 nan 8.230 nan 0.000 0.446 281 K N 0.731 121.142 120.400 0.018 0.000 2.148 281 K HA -0.075 4.245 4.320 -0.001 0.000 0.204 281 K C 1.965 178.569 176.600 0.006 0.000 1.050 281 K CA 1.423 57.714 56.287 0.005 0.000 0.942 281 K CB -0.208 32.287 32.500 -0.009 0.000 0.724 281 K HN 0.203 nan 8.250 nan 0.000 0.446 282 A N 0.658 123.484 122.820 0.011 0.000 1.969 282 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 282 A C 1.068 178.664 177.584 0.020 0.000 1.169 282 A CA 1.345 53.388 52.037 0.009 0.000 0.635 282 A CB -0.230 18.780 19.000 0.017 0.000 0.810 282 A HN 0.306 nan 8.150 nan 0.000 0.445 283 E N 0.919 121.138 120.200 0.032 0.000 2.411 283 E HA 0.070 4.420 4.350 -0.001 0.000 0.204 283 E C -0.510 176.105 176.600 0.025 0.000 1.059 283 E CA -0.129 56.292 56.400 0.034 0.000 1.112 283 E CB -0.279 29.450 29.700 0.048 0.000 1.168 283 E HN 0.898 nan 8.360 nan 0.000 0.445 284 E N -0.349 119.862 120.200 0.018 0.000 2.290 284 E HA 0.344 4.694 4.350 -0.001 0.000 0.277 284 E C 0.713 177.320 176.600 0.012 0.000 1.035 284 E CA 0.022 56.430 56.400 0.013 0.000 0.873 284 E CB 0.625 30.330 29.700 0.008 0.000 1.029 284 E HN 0.124 nan 8.360 nan 0.000 0.419 285 G N 2.017 110.823 108.800 0.011 0.000 2.137 285 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.237 285 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.237 285 G C 0.207 175.115 174.900 0.013 0.000 1.002 285 G CA -0.092 45.014 45.100 0.010 0.000 0.702 285 G HN 0.949 nan 8.290 nan 0.000 0.515 286 A N -0.142 122.687 122.820 0.015 0.000 2.304 286 A HA 0.703 5.022 4.320 -0.001 0.000 0.301 286 A C 1.387 178.979 177.584 0.014 0.000 1.132 286 A CA 0.642 52.689 52.037 0.017 0.000 0.819 286 A CB 0.517 19.531 19.000 0.023 0.000 1.094 286 A HN 0.837 nan 8.150 nan 0.000 0.492 287 Q N 0.514 120.322 119.800 0.013 0.000 2.167 287 Q HA -0.062 4.277 4.340 -0.001 0.000 0.202 287 Q C -0.445 175.560 176.000 0.007 0.000 0.970 287 Q CA 1.507 57.315 55.803 0.010 0.000 0.855 287 Q CB -0.421 28.323 28.738 0.010 0.000 0.911 287 Q HN 0.849 nan 8.270 nan 0.000 0.438 288 D N -1.200 119.206 120.400 0.009 0.000 2.596 288 D HA 0.185 4.825 4.640 -0.001 0.000 0.262 288 D C -0.978 175.327 176.300 0.008 0.000 1.210 288 D CA -0.773 53.230 54.000 0.005 0.000 0.873 288 D CB 0.577 41.378 40.800 0.002 0.000 1.408 288 D HN -0.225 nan 8.370 nan 0.000 0.441 289 D N -0.410 119.990 120.400 -0.000 0.000 2.319 289 D HA 0.008 4.647 4.640 -0.001 0.000 0.230 289 D C 0.999 177.303 176.300 0.007 0.000 1.094 289 D CA 0.122 54.124 54.000 0.002 0.000 0.856 289 D CB 0.253 41.043 40.800 -0.017 0.000 0.915 289 D HN 0.328 nan 8.370 nan 0.000 0.517 290 E N 0.472 120.678 120.200 0.009 0.000 2.085 290 E HA -0.120 4.229 4.350 -0.001 0.000 0.194 290 E C 2.161 178.785 176.600 0.040 0.000 0.994 290 E CA 1.019 57.428 56.400 0.014 0.000 0.801 290 E CB -0.435 29.273 29.700 0.014 0.000 0.743 290 E HN 0.361 nan 8.360 nan 0.000 0.453 291 G N 1.289 110.120 108.800 0.052 0.000 2.408 291 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.217 291 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.217 291 G C 1.634 176.597 174.900 0.105 0.000 1.150 291 G CA 0.692 45.838 45.100 0.077 0.000 0.776 291 G HN 0.252 nan 8.290 nan 0.000 0.542 292 L N 0.354 121.633 121.223 0.094 0.000 2.093 292 L HA 0.178 4.517 4.340 -0.001 0.000 0.208 292 L C 2.527 179.497 176.870 0.166 0.000 1.085 292 L CA 1.295 56.212 54.840 0.128 0.000 0.755 292 L CB -0.347 41.767 42.059 0.093 0.000 0.904 292 L HN 0.184 nan 8.230 nan 0.000 0.435 293 L N -0.629 120.651 121.223 0.094 0.000 2.093 293 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 293 L C 2.225 179.188 176.870 0.156 0.000 1.085 293 L CA 1.006 55.892 54.840 0.077 0.000 0.755 293 L CB -0.855 41.181 42.059 -0.038 0.000 0.904 293 L HN 0.258 nan 8.230 nan 0.000 0.435 294 D N 0.110 120.590 120.400 0.133 0.000 2.092 294 D HA -0.193 4.447 4.640 -0.001 0.000 0.193 294 D C 1.937 178.382 176.300 0.242 0.000 0.994 294 D CA 1.191 55.284 54.000 0.155 0.000 0.828 294 D CB -0.361 40.524 40.800 0.143 0.000 0.963 294 D HN 0.192 nan 8.370 nan 0.000 0.450 295 N N -0.214 118.655 118.700 0.282 0.000 2.309 295 N HA -0.110 4.630 4.740 -0.001 0.000 0.182 295 N C 1.572 177.401 175.510 0.531 0.000 1.018 295 N CA 0.185 53.473 53.050 0.397 0.000 0.876 295 N CB -0.326 38.388 38.487 0.378 0.000 0.972 295 N HN 0.179 nan 8.380 nan 0.000 0.434 296 F N 1.327 121.458 119.950 0.301 0.000 2.084 296 F HA -0.131 4.396 4.527 -0.001 0.000 0.296 296 F C 2.142 178.114 175.800 0.287 0.000 1.111 296 F CA 0.992 59.174 58.000 0.303 0.000 1.224 296 F CB -0.479 38.546 39.000 0.043 0.000 0.991 296 F HN -0.224 nan 8.300 nan 0.000 0.471 297 V N 0.351 120.468 119.914 0.338 0.000 2.287 297 V HA -0.364 3.756 4.120 -0.001 0.000 0.248 297 V C 2.355 178.567 176.094 0.197 0.000 1.053 297 V CA 2.498 64.871 62.300 0.121 0.000 1.027 297 V CB -1.260 30.495 31.823 -0.113 0.000 0.646 297 V HN 0.483 nan 8.190 nan 0.000 0.447 298 T N 0.031 114.772 114.554 0.311 0.000 2.649 298 T HA -0.262 4.088 4.350 -0.001 0.000 0.268 298 T C 1.610 176.377 174.700 0.112 0.000 1.036 298 T CA 2.358 64.653 62.100 0.325 0.000 1.157 298 T CB -0.423 68.531 68.868 0.144 0.000 0.861 298 T HN 0.435 nan 8.240 nan 0.000 0.445 299 F N -0.579 119.512 119.950 0.234 0.000 2.387 299 F HA 0.272 4.799 4.527 -0.001 0.000 0.294 299 F C 1.883 177.802 175.800 0.198 0.000 1.093 299 F CA -0.134 57.974 58.000 0.180 0.000 1.420 299 F CB -0.405 38.683 39.000 0.146 0.000 1.086 299 F HN 0.051 nan 8.300 nan 0.000 0.531 300 F N 0.668 120.727 119.950 0.181 0.000 2.161 300 F HA -0.258 4.268 4.527 -0.001 0.000 0.300 300 F C 1.992 177.947 175.800 0.258 0.000 1.089 300 F CA 1.425 59.473 58.000 0.081 0.000 1.282 300 F CB -0.101 38.708 39.000 -0.319 0.000 1.010 300 F HN -0.166 nan 8.300 nan 0.000 0.485 301 I N -0.108 120.727 120.570 0.441 0.000 2.364 301 I HA -0.052 4.117 4.170 -0.001 0.000 0.241 301 I C 2.708 178.953 176.117 0.212 0.000 1.082 301 I CA 1.300 62.861 61.300 0.435 0.000 1.401 301 I CB -2.012 36.272 38.000 0.473 0.000 1.126 301 I HN 0.124 nan 8.210 nan 0.000 0.429 302 A N 0.937 123.838 122.820 0.135 0.000 2.019 302 A HA -0.073 4.247 4.320 -0.001 0.000 0.219 302 A C 2.215 179.800 177.584 0.001 0.000 1.164 302 A CA 1.759 53.790 52.037 -0.010 0.000 0.644 302 A CB -1.210 17.709 19.000 -0.135 0.000 0.805 302 A HN 0.479 nan 8.150 nan 0.000 0.449 303 G N -1.938 106.906 108.800 0.074 0.000 2.985 303 G HA2 0.144 4.104 3.960 -0.001 0.000 0.209 303 G HA3 0.144 4.104 3.960 -0.001 0.000 0.209 303 G C 1.049 176.028 174.900 0.132 0.000 1.165 303 G CA 1.037 46.161 45.100 0.041 0.000 0.776 303 G HN 0.849 nan 8.290 nan 0.000 0.541 304 H N -1.330 117.745 119.070 0.008 0.000 2.627 304 H HA 0.115 4.671 4.556 -0.001 0.000 0.211 304 H C 1.753 177.093 175.328 0.020 0.000 0.873 304 H CA 0.821 56.878 56.048 0.015 0.000 0.969 304 H CB 0.010 29.738 29.762 -0.056 0.000 1.328 304 H HN 0.219 nan 8.280 nan 0.000 0.423 305 E N 2.475 122.185 120.200 -0.817 0.000 2.012 305 E HA -0.142 4.208 4.350 -0.001 0.000 0.197 305 E C 2.239 178.698 176.600 -0.234 0.000 1.007 305 E CA 3.415 59.436 56.400 -0.630 0.000 0.816 305 E CB -0.596 28.833 29.700 -0.451 0.000 0.762 305 E HN 0.539 nan 8.360 nan 0.000 0.451 306 T N -1.977 112.497 114.554 -0.133 0.000 2.915 306 T HA -0.050 4.300 4.350 -0.001 0.000 0.269 306 T C 2.156 176.875 174.700 0.030 0.000 1.071 306 T CA 1.328 63.402 62.100 -0.044 0.000 1.132 306 T CB -0.464 68.372 68.868 -0.053 0.000 0.878 306 T HN 0.037 nan 8.240 nan 0.000 0.479 307 S N 1.601 117.326 115.700 0.042 0.000 2.387 307 S HA 0.213 4.683 4.470 -0.001 0.000 0.226 307 S C 2.590 177.232 174.600 0.070 0.000 1.026 307 S CA 0.750 59.021 58.200 0.118 0.000 0.972 307 S CB -0.636 62.651 63.200 0.145 0.000 0.814 307 S HN 0.757 nan 8.310 nan 0.000 0.477 308 A N 2.327 125.145 122.820 -0.003 0.000 1.898 308 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 308 A C 1.832 179.359 177.584 -0.095 0.000 1.181 308 A CA 1.540 53.548 52.037 -0.048 0.000 0.620 308 A CB -0.758 18.204 19.000 -0.064 0.000 0.819 308 A HN 0.613 nan 8.150 nan 0.000 0.442 309 N N -1.472 117.173 118.700 -0.093 0.000 2.142 309 N HA -0.184 4.556 4.740 -0.001 0.000 0.186 309 N C 1.860 177.343 175.510 -0.045 0.000 1.023 309 N CA 1.256 54.201 53.050 -0.174 0.000 0.852 309 N CB -0.329 38.083 38.487 -0.125 0.000 0.998 309 N HN 0.704 nan 8.380 nan 0.000 0.424 310 H N 1.533 120.639 119.070 0.059 0.000 2.319 310 H HA -0.036 4.520 4.556 -0.001 0.000 0.299 310 H C 1.904 177.286 175.328 0.090 0.000 1.092 310 H CA 1.466 57.614 56.048 0.166 0.000 1.302 310 H CB -0.476 29.343 29.762 0.096 0.000 1.373 310 H HN 0.128 nan 8.280 nan 0.000 0.497 311 L N -0.318 120.795 121.223 -0.183 0.000 2.012 311 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 311 L C 2.896 179.631 176.870 -0.225 0.000 1.073 311 L CA 1.227 55.914 54.840 -0.255 0.000 0.748 311 L CB -0.783 41.182 42.059 -0.156 0.000 0.891 311 L HN 0.462 nan 8.230 nan 0.000 0.431 312 A N -0.365 122.323 122.820 -0.220 0.000 1.902 312 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 312 A C 2.033 179.451 177.584 -0.277 0.000 1.181 312 A CA 1.414 53.283 52.037 -0.280 0.000 0.623 312 A CB -0.735 18.058 19.000 -0.346 0.000 0.818 312 A HN 0.271 nan 8.150 nan 0.000 0.443 313 F N 0.954 120.773 119.950 -0.218 0.000 2.095 313 F HA -0.150 4.377 4.527 0.000 0.000 0.298 313 F C 2.798 178.412 175.800 -0.310 0.000 1.104 313 F CA 1.843 59.653 58.000 -0.316 0.000 1.232 313 F CB -1.158 37.702 39.000 -0.233 0.000 0.987 313 F HN 0.176 nan 8.300 nan 0.000 0.475 314 T N -0.425 114.106 114.554 -0.038 0.000 2.708 314 T HA -0.137 4.213 4.350 -0.001 0.000 0.266 314 T C 2.306 176.904 174.700 -0.169 0.000 1.037 314 T CA 1.508 63.548 62.100 -0.100 0.000 1.146 314 T CB -0.771 68.000 68.868 -0.162 0.000 0.865 314 T HN 0.030 nan 8.240 nan 0.000 0.435 315 V N 1.868 121.651 119.914 -0.219 0.000 2.332 315 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 315 V C 2.472 178.433 176.094 -0.222 0.000 1.055 315 V CA 1.923 64.050 62.300 -0.289 0.000 1.038 315 V CB -0.664 30.916 31.823 -0.405 0.000 0.651 315 V HN 0.482 nan 8.190 nan 0.000 0.450 316 M N -0.067 119.422 119.600 -0.185 0.000 2.086 316 M HA -0.219 4.260 4.480 -0.001 0.000 0.261 316 M C 2.219 178.534 176.300 0.024 0.000 1.067 316 M CA 2.383 57.611 55.300 -0.121 0.000 1.116 316 M CB -0.137 32.369 32.600 -0.157 0.000 1.348 316 M HN 0.362 nan 8.290 nan 0.000 0.407 317 E N 0.585 120.738 120.200 -0.079 0.000 2.106 317 E HA -0.105 4.245 4.350 -0.001 0.000 0.192 317 E C 1.753 178.219 176.600 -0.223 0.000 0.984 317 E CA 1.237 57.535 56.400 -0.170 0.000 0.806 317 E CB -0.486 28.939 29.700 -0.459 0.000 0.750 317 E HN 0.638 nan 8.360 nan 0.000 0.458 318 L N 0.862 121.966 121.223 -0.199 0.000 2.549 318 L HA -0.050 4.290 4.340 -0.001 0.000 0.229 318 L C 2.143 178.997 176.870 -0.027 0.000 1.158 318 L CA 0.992 55.758 54.840 -0.123 0.000 0.842 318 L CB -0.540 41.465 42.059 -0.091 0.000 0.952 318 L HN 0.214 nan 8.230 nan 0.000 0.452 319 S N 0.736 116.446 115.700 0.015 0.000 2.489 319 S HA -0.150 4.320 4.470 -0.001 0.000 0.228 319 S C 1.727 176.385 174.600 0.097 0.000 0.995 319 S CA 0.337 58.588 58.200 0.085 0.000 0.934 319 S CB -0.128 63.141 63.200 0.115 0.000 0.771 319 S HN 0.672 nan 8.310 nan 0.000 0.522 320 R N -0.200 120.328 120.500 0.047 0.000 2.577 320 R HA 0.347 4.687 4.340 -0.001 0.000 0.344 320 R C -0.306 175.965 176.300 -0.048 0.000 1.037 320 R CA -0.436 55.653 56.100 -0.018 0.000 1.102 320 R CB 0.154 30.361 30.300 -0.156 0.000 1.313 320 R HN 0.193 nan 8.270 nan 0.000 0.561 321 Q N 1.573 121.356 119.800 -0.028 0.000 2.849 321 Q HA 0.226 4.566 4.340 -0.001 0.000 0.289 321 Q C -2.089 173.939 176.000 0.047 0.000 1.012 321 Q CA -1.964 53.842 55.803 0.006 0.000 0.899 321 Q CB 1.830 30.564 28.738 -0.007 0.000 1.235 321 Q HN 0.139 nan 8.270 nan 0.000 0.457 322 P HA -0.169 nan 4.420 nan 0.000 0.215 322 P C 0.572 177.911 177.300 0.065 0.000 1.157 322 P CA 1.271 64.403 63.100 0.053 0.000 0.863 322 P CB 0.611 32.336 31.700 0.041 0.000 0.787 323 E N -0.026 120.213 120.200 0.066 0.000 2.085 323 E HA -0.134 4.215 4.350 -0.001 0.000 0.194 323 E C 2.200 178.862 176.600 0.105 0.000 0.994 323 E CA 1.028 57.469 56.400 0.069 0.000 0.801 323 E CB -0.930 28.808 29.700 0.062 0.000 0.743 323 E HN 0.288 nan 8.360 nan 0.000 0.453 324 I N 0.134 120.797 120.570 0.154 0.000 2.252 324 I HA -0.234 3.936 4.170 -0.001 0.000 0.245 324 I C 2.074 178.333 176.117 0.236 0.000 1.102 324 I CA 0.632 62.087 61.300 0.257 0.000 1.385 324 I CB -0.209 37.964 38.000 0.288 0.000 1.064 324 I HN 0.001 nan 8.210 nan 0.000 0.414 325 V N 1.193 121.197 119.914 0.151 0.000 2.332 325 V HA -0.328 3.791 4.120 -0.001 0.000 0.248 325 V C 2.742 178.904 176.094 0.114 0.000 1.055 325 V CA 2.058 64.433 62.300 0.126 0.000 1.038 325 V CB -1.117 30.764 31.823 0.096 0.000 0.651 325 V HN 0.513 nan 8.190 nan 0.000 0.450 326 A N -0.521 122.353 122.820 0.090 0.000 1.902 326 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 326 A C 2.442 180.055 177.584 0.048 0.000 1.181 326 A CA 1.774 53.847 52.037 0.059 0.000 0.623 326 A CB -0.511 18.512 19.000 0.038 0.000 0.818 326 A HN 0.420 nan 8.150 nan 0.000 0.443 327 R N -0.746 119.780 120.500 0.043 0.000 2.153 327 R HA 0.082 4.422 4.340 -0.001 0.000 0.218 327 R C 1.915 178.261 176.300 0.077 0.000 1.072 327 R CA 0.701 56.779 56.100 -0.036 0.000 0.990 327 R CB -0.301 29.835 30.300 -0.272 0.000 0.889 327 R HN 0.559 nan 8.270 nan 0.000 0.452 328 L N 0.384 121.735 121.223 0.215 0.000 2.027 328 L HA -0.204 4.135 4.340 -0.001 0.000 0.206 328 L C 2.490 179.436 176.870 0.128 0.000 1.074 328 L CA 1.553 56.532 54.840 0.231 0.000 0.745 328 L CB -0.326 41.856 42.059 0.205 0.000 0.898 328 L HN 0.184 nan 8.230 nan 0.000 0.433 329 Q N -0.429 119.429 119.800 0.097 0.000 2.050 329 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 329 Q C 2.442 178.472 176.000 0.050 0.000 0.980 329 Q CA 1.691 57.535 55.803 0.068 0.000 0.840 329 Q CB -0.349 28.425 28.738 0.060 0.000 0.898 329 Q HN 0.560 nan 8.270 nan 0.000 0.424 330 A N 1.135 123.979 122.820 0.039 0.000 1.908 330 A HA -0.299 4.021 4.320 -0.001 0.000 0.218 330 A C 1.954 179.552 177.584 0.023 0.000 1.181 330 A CA 1.813 53.862 52.037 0.019 0.000 0.627 330 A CB -0.615 18.383 19.000 -0.003 0.000 0.818 330 A HN 0.461 nan 8.150 nan 0.000 0.445 331 E N -0.425 119.798 120.200 0.038 0.000 2.051 331 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 331 E C 1.915 178.541 176.600 0.044 0.000 0.991 331 E CA 1.400 57.828 56.400 0.047 0.000 0.799 331 E CB -0.161 29.592 29.700 0.088 0.000 0.748 331 E HN 0.281 nan 8.360 nan 0.000 0.449 332 V N 2.015 121.960 119.914 0.052 0.000 2.392 332 V HA -0.268 3.852 4.120 -0.001 0.000 0.249 332 V C 1.663 177.776 176.094 0.032 0.000 1.059 332 V CA 2.211 64.536 62.300 0.042 0.000 1.051 332 V CB -0.474 31.379 31.823 0.049 0.000 0.658 332 V HN 0.332 nan 8.190 nan 0.000 0.455 333 D N -0.632 119.786 120.400 0.031 0.000 2.144 333 D HA -0.140 4.499 4.640 -0.001 0.000 0.200 333 D C 2.182 178.494 176.300 0.020 0.000 0.978 333 D CA 1.044 55.059 54.000 0.024 0.000 0.833 333 D CB -0.108 40.705 40.800 0.022 0.000 0.961 333 D HN 0.544 nan 8.370 nan 0.000 0.470 334 E N -0.028 120.183 120.200 0.019 0.000 2.072 334 E HA -0.086 4.263 4.350 -0.001 0.000 0.190 334 E C 2.101 178.709 176.600 0.014 0.000 0.982 334 E CA 0.638 57.047 56.400 0.014 0.000 0.803 334 E CB 0.299 30.006 29.700 0.012 0.000 0.755 334 E HN 0.133 nan 8.360 nan 0.000 0.453 335 V N 0.685 120.608 119.914 0.015 0.000 2.795 335 V HA 0.010 4.130 4.120 -0.001 0.000 0.243 335 V C 1.789 177.888 176.094 0.010 0.000 1.069 335 V CA 0.825 63.130 62.300 0.010 0.000 1.089 335 V CB 0.047 31.873 31.823 0.005 0.000 0.756 335 V HN 0.330 nan 8.190 nan 0.000 0.471 336 I N -2.045 118.533 120.570 0.013 0.000 3.854 336 I HA 0.614 4.784 4.170 -0.001 0.000 0.312 336 I C 1.588 177.718 176.117 0.022 0.000 1.273 336 I CA 0.639 61.947 61.300 0.013 0.000 1.298 336 I CB -0.262 37.742 38.000 0.007 0.000 1.071 336 I HN 0.409 nan 8.210 nan 0.000 0.428 337 G N 2.989 111.803 108.800 0.022 0.000 2.651 337 G HA2 -0.433 3.527 3.960 -0.001 0.000 0.315 337 G HA3 -0.433 3.527 3.960 -0.001 0.000 0.315 337 G C 0.768 175.684 174.900 0.026 0.000 1.258 337 G CA 1.303 46.417 45.100 0.023 0.000 1.002 337 G HN 0.817 nan 8.290 nan 0.000 0.551 338 S N -0.064 115.653 115.700 0.028 0.000 2.554 338 S HA 0.375 4.845 4.470 -0.001 0.000 0.226 338 S C 0.738 175.360 174.600 0.037 0.000 0.980 338 S CA 1.056 59.274 58.200 0.030 0.000 0.939 338 S CB 0.401 63.616 63.200 0.026 0.000 0.832 338 S HN 0.820 nan 8.310 nan 0.000 0.486 339 K N 1.755 122.179 120.400 0.041 0.000 2.489 339 K HA 0.123 4.443 4.320 -0.001 0.000 0.278 339 K C 1.193 177.831 176.600 0.063 0.000 1.000 339 K CA -0.190 56.131 56.287 0.055 0.000 1.012 339 K CB 0.450 32.986 32.500 0.060 0.000 0.903 339 K HN 0.226 nan 8.250 nan 0.000 0.485 340 R N 2.619 123.170 120.500 0.085 0.000 2.062 340 R HA -0.064 4.276 4.340 -0.001 0.000 0.226 340 R C 0.044 176.423 176.300 0.131 0.000 1.125 340 R CA 0.876 57.034 56.100 0.096 0.000 0.966 340 R CB -0.022 30.336 30.300 0.097 0.000 0.861 340 R HN 0.639 nan 8.270 nan 0.000 0.433 341 Y N 1.289 121.608 120.300 0.033 0.000 2.350 341 Y HA 0.264 4.814 4.550 -0.001 0.000 0.340 341 Y C -1.148 174.777 175.900 0.043 0.000 1.006 341 Y CA -0.990 57.133 58.100 0.038 0.000 1.166 341 Y CB 0.670 39.149 38.460 0.031 0.000 1.168 341 Y HN -0.073 nan 8.280 nan 0.000 0.502 342 L N 6.758 127.702 121.223 -0.464 0.000 2.265 342 L HA 0.247 4.586 4.340 -0.001 0.000 0.288 342 L C -0.201 176.335 176.870 -0.556 0.000 1.058 342 L CA -0.103 54.528 54.840 -0.350 0.000 0.809 342 L CB 0.793 42.735 42.059 -0.196 0.000 1.179 342 L HN 0.707 nan 8.230 nan 0.000 0.429 343 D N 1.053 121.321 120.400 -0.220 0.000 2.354 343 D HA 0.073 4.713 4.640 -0.001 0.000 0.247 343 D C 0.877 177.189 176.300 0.019 0.000 1.138 343 D CA -0.119 53.856 54.000 -0.042 0.000 0.958 343 D CB 0.656 41.523 40.800 0.112 0.000 1.144 343 D HN 0.430 nan 8.370 nan 0.000 0.458 344 F N 0.880 120.819 119.950 -0.019 0.000 2.171 344 F HA -0.145 4.381 4.527 -0.001 0.000 0.300 344 F C 2.034 177.838 175.800 0.006 0.000 1.090 344 F CA 1.425 59.423 58.000 -0.003 0.000 1.293 344 F CB 0.127 39.136 39.000 0.014 0.000 1.013 344 F HN 0.498 nan 8.300 nan 0.000 0.486 345 E N -0.723 119.420 120.200 -0.095 0.000 2.268 345 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 345 E C 1.252 177.751 176.600 -0.168 0.000 0.995 345 E CA 1.302 57.596 56.400 -0.176 0.000 0.836 345 E CB -0.544 29.146 29.700 -0.015 0.000 0.763 345 E HN 0.420 nan 8.360 nan 0.000 0.491 346 D N 1.371 121.702 120.400 -0.115 0.000 2.224 346 D HA -0.056 4.584 4.640 -0.001 0.000 0.205 346 D C 2.151 178.384 176.300 -0.112 0.000 0.965 346 D CA 0.608 54.556 54.000 -0.086 0.000 0.852 346 D CB -0.060 40.709 40.800 -0.052 0.000 0.947 346 D HN 0.268 nan 8.370 nan 0.000 0.494 347 L N 0.744 121.864 121.223 -0.171 0.000 2.042 347 L HA -0.099 4.240 4.340 -0.001 0.000 0.210 347 L C 2.535 179.317 176.870 -0.148 0.000 1.076 347 L CA 1.488 56.236 54.840 -0.152 0.000 0.749 347 L CB -0.761 41.192 42.059 -0.177 0.000 0.893 347 L HN 0.088 nan 8.230 nan 0.000 0.432 348 G N -0.522 108.148 108.800 -0.218 0.000 2.559 348 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.216 348 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.216 348 G C 1.690 176.541 174.900 -0.081 0.000 1.126 348 G CA 0.120 45.129 45.100 -0.152 0.000 0.778 348 G HN 0.332 nan 8.290 nan 0.000 0.543 349 R N -0.647 119.810 120.500 -0.071 0.000 2.276 349 R HA 0.219 4.559 4.340 -0.001 0.000 0.196 349 R C 0.506 176.803 176.300 -0.005 0.000 0.961 349 R CA -0.147 55.934 56.100 -0.031 0.000 1.024 349 R CB 0.026 30.308 30.300 -0.029 0.000 0.940 349 R HN 0.280 nan 8.270 nan 0.000 0.480 350 L N 2.028 123.245 121.223 -0.010 0.000 2.437 350 L HA 0.084 4.424 4.340 -0.001 0.000 0.243 350 L C 1.746 178.637 176.870 0.035 0.000 1.346 350 L CA 0.027 54.879 54.840 0.020 0.000 1.233 350 L CB 0.145 42.208 42.059 0.008 0.000 1.436 350 L HN 0.159 nan 8.230 nan 0.000 0.416 351 Q N 0.502 120.336 119.800 0.058 0.000 2.123 351 Q HA -0.219 4.120 4.340 -0.001 0.000 0.199 351 Q C 1.805 177.874 176.000 0.115 0.000 0.966 351 Q CA 1.634 57.480 55.803 0.071 0.000 0.845 351 Q CB 0.069 28.852 28.738 0.074 0.000 0.907 351 Q HN 0.723 nan 8.270 nan 0.000 0.439 352 Y N 0.106 120.419 120.300 0.021 0.000 2.263 352 Y HA -0.227 4.323 4.550 -0.001 0.000 0.292 352 Y C 1.990 177.914 175.900 0.039 0.000 1.130 352 Y CA 0.899 59.018 58.100 0.032 0.000 1.179 352 Y CB 0.080 38.560 38.460 0.034 0.000 0.998 352 Y HN 0.235 nan 8.280 nan 0.000 0.532 353 L N -0.267 120.968 121.223 0.021 0.000 2.012 353 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 353 L C 2.653 179.481 176.870 -0.070 0.000 1.073 353 L CA 2.319 57.134 54.840 -0.041 0.000 0.748 353 L CB -1.387 40.684 42.059 0.019 0.000 0.891 353 L HN 0.296 nan 8.230 nan 0.000 0.431 354 S N -1.215 114.463 115.700 -0.037 0.000 2.374 354 S HA -0.292 4.178 4.470 -0.001 0.000 0.227 354 S C 1.969 176.510 174.600 -0.098 0.000 1.037 354 S CA 1.850 60.026 58.200 -0.040 0.000 1.024 354 S CB -0.268 62.922 63.200 -0.017 0.000 0.861 354 S HN 0.714 nan 8.310 nan 0.000 0.456 355 Q N -0.194 119.530 119.800 -0.127 0.000 2.079 355 Q HA -0.030 4.310 4.340 -0.001 0.000 0.200 355 Q C 2.328 178.177 176.000 -0.253 0.000 0.974 355 Q CA 1.634 57.338 55.803 -0.165 0.000 0.840 355 Q CB -0.234 28.447 28.738 -0.096 0.000 0.898 355 Q HN 0.469 nan 8.270 nan 0.000 0.430 356 V N 1.091 120.818 119.914 -0.312 0.000 2.407 356 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 356 V C 2.092 178.180 176.094 -0.011 0.000 1.055 356 V CA 1.480 63.664 62.300 -0.192 0.000 1.049 356 V CB -0.416 31.305 31.823 -0.169 0.000 0.662 356 V HN 0.344 nan 8.190 nan 0.000 0.455 357 L N -0.790 120.430 121.223 -0.004 0.000 2.156 357 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 357 L C 2.528 179.441 176.870 0.071 0.000 1.095 357 L CA 1.387 56.312 54.840 0.142 0.000 0.770 357 L CB -0.546 41.626 42.059 0.189 0.000 0.914 357 L HN 0.255 nan 8.230 nan 0.000 0.439 358 K N 0.042 120.331 120.400 -0.185 0.000 2.057 358 K HA -0.230 4.090 4.320 -0.001 0.000 0.207 358 K C 2.082 178.372 176.600 -0.516 0.000 1.049 358 K CA 1.506 57.496 56.287 -0.494 0.000 0.931 358 K CB 0.008 31.807 32.500 -1.168 0.000 0.714 358 K HN 0.082 nan 8.250 nan 0.000 0.440 359 E N 0.631 120.589 120.200 -0.403 0.000 2.106 359 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 359 E C 1.905 178.404 176.600 -0.168 0.000 0.984 359 E CA 1.255 57.472 56.400 -0.305 0.000 0.806 359 E CB -0.160 29.154 29.700 -0.643 0.000 0.750 359 E HN 0.081 nan 8.360 nan 0.000 0.458 360 S N -0.744 115.030 115.700 0.124 0.000 2.382 360 S HA -0.081 4.389 4.470 -0.001 0.000 0.228 360 S C 1.743 176.519 174.600 0.293 0.000 1.027 360 S CA 1.095 59.586 58.200 0.485 0.000 0.991 360 S CB -0.218 63.294 63.200 0.518 0.000 0.823 360 S HN 0.372 nan 8.310 nan 0.000 0.469 361 L N 0.681 121.990 121.223 0.143 0.000 2.418 361 L HA 0.148 4.488 4.340 -0.001 0.000 0.218 361 L C 2.666 179.556 176.870 0.034 0.000 1.125 361 L CA 0.554 55.401 54.840 0.010 0.000 0.835 361 L CB -0.307 41.656 42.059 -0.160 0.000 0.953 361 L HN 0.285 nan 8.230 nan 0.000 0.454 362 R N 0.665 121.225 120.500 0.099 0.000 2.062 362 R HA -0.101 4.239 4.340 -0.001 0.000 0.229 362 R C 2.139 178.275 176.300 -0.274 0.000 1.128 362 R CA 1.342 57.447 56.100 0.008 0.000 0.960 362 R CB -0.062 30.074 30.300 -0.272 0.000 0.855 362 R HN 0.297 nan 8.270 nan 0.000 0.432 363 L N -0.639 120.345 121.223 -0.398 0.000 2.270 363 L HA -0.001 4.338 4.340 -0.001 0.000 0.210 363 L C 0.282 176.621 176.870 -0.885 0.000 1.104 363 L CA 0.630 55.028 54.840 -0.737 0.000 0.804 363 L CB 0.288 41.778 42.059 -0.949 0.000 0.937 363 L HN 0.206 nan 8.230 nan 0.000 0.450 364 Y N -0.574 119.562 120.300 -0.274 0.000 2.477 364 Y HA 0.300 4.850 4.550 -0.000 0.000 0.340 364 Y C -2.379 173.318 175.900 -0.339 0.000 0.987 364 Y CA -2.600 55.151 58.100 -0.582 0.000 1.127 364 Y CB 0.043 37.625 38.460 -1.465 0.000 1.139 364 Y HN -0.095 nan 8.280 nan 0.000 0.637 365 P HA 0.160 nan 4.420 nan 0.000 0.276 365 P C -2.372 174.980 177.300 0.086 0.000 1.264 365 P CA -1.578 61.503 63.100 -0.032 0.000 0.769 365 P CB 1.926 33.586 31.700 -0.067 0.000 0.840 366 P HA -0.089 nan 4.420 nan 0.000 0.217 366 P C 0.408 177.736 177.300 0.046 0.000 1.150 366 P CA 1.493 64.696 63.100 0.172 0.000 0.832 366 P CB 0.096 31.868 31.700 0.120 0.000 0.787 367 A N 0.423 123.202 122.820 -0.068 0.000 2.322 367 A HA 0.227 4.546 4.320 -0.001 0.000 0.327 367 A C 0.960 178.466 177.584 -0.131 0.000 1.394 367 A CA -0.896 51.041 52.037 -0.168 0.000 0.921 367 A CB -0.428 18.447 19.000 -0.210 0.000 1.153 367 A HN 0.296 nan 8.150 nan 0.000 0.523 368 W N 2.750 124.035 121.300 -0.026 0.000 2.465 368 W HA 0.299 4.958 4.660 -0.001 0.000 0.268 368 W C 0.236 176.744 176.519 -0.018 0.000 1.242 368 W CA 0.687 58.015 57.345 -0.027 0.000 1.248 368 W CB -0.334 29.096 29.460 -0.051 0.000 1.118 368 W HN 0.815 nan 8.180 nan 0.000 0.587 369 G N -0.326 108.383 108.800 -0.151 0.000 2.452 369 G HA2 0.323 4.282 3.960 -0.001 0.000 0.224 369 G HA3 0.323 4.282 3.960 -0.001 0.000 0.224 369 G C -1.240 173.494 174.900 -0.276 0.000 1.208 369 G CA 0.057 45.174 45.100 0.028 0.000 0.946 369 G HN 0.165 nan 8.290 nan 0.000 0.481 370 T N -1.121 113.372 114.554 -0.101 0.000 2.802 370 T HA 0.658 5.008 4.350 -0.001 0.000 0.311 370 T C -2.112 172.560 174.700 -0.047 0.000 1.405 370 T CA -0.456 61.611 62.100 -0.055 0.000 1.016 370 T CB 1.305 70.218 68.868 0.075 0.000 1.352 370 T HN 0.609 nan 8.240 nan 0.000 0.498 371 F N 2.461 122.593 119.950 0.304 0.000 2.467 371 F HA 0.702 5.229 4.527 -0.001 0.000 0.336 371 F C 0.669 176.657 175.800 0.313 0.000 1.123 371 F CA -0.956 57.224 58.000 0.301 0.000 0.964 371 F CB 1.598 40.708 39.000 0.184 0.000 1.136 371 F HN 0.182 nan 8.300 nan 0.000 0.447 372 R N 2.280 123.066 120.500 0.478 0.000 2.732 372 R HA 0.544 4.884 4.340 -0.001 0.000 0.278 372 R C -1.327 175.103 176.300 0.218 0.000 0.976 372 R CA -1.278 55.017 56.100 0.325 0.000 0.963 372 R CB 2.293 32.786 30.300 0.322 0.000 1.150 372 R HN 0.572 nan 8.270 nan 0.000 0.478 373 L N 2.755 124.081 121.223 0.170 0.000 2.265 373 L HA 0.321 4.661 4.340 -0.001 0.000 0.288 373 L C -0.794 176.124 176.870 0.081 0.000 1.058 373 L CA -0.488 54.417 54.840 0.108 0.000 0.809 373 L CB 0.745 42.864 42.059 0.101 0.000 1.179 373 L HN 0.445 nan 8.230 nan 0.000 0.429 374 L N 5.110 126.338 121.223 0.008 0.000 2.312 374 L HA 0.292 4.632 4.340 -0.001 0.000 0.287 374 L C 1.056 177.945 176.870 0.032 0.000 1.091 374 L CA 0.633 55.469 54.840 -0.007 0.000 0.846 374 L CB 0.417 42.412 42.059 -0.108 0.000 1.219 374 L HN 0.803 nan 8.230 nan 0.000 0.439 375 E N 2.222 122.463 120.200 0.069 0.000 2.051 375 E HA -0.012 4.338 4.350 -0.001 0.000 0.189 375 E C -0.104 176.519 176.600 0.039 0.000 0.979 375 E CA 0.896 57.326 56.400 0.049 0.000 0.803 375 E CB 0.280 30.009 29.700 0.048 0.000 0.761 375 E HN 0.645 nan 8.360 nan 0.000 0.451 376 E N 1.154 121.386 120.200 0.053 0.000 2.191 376 E HA 0.104 4.453 4.350 -0.001 0.000 0.274 376 E C -0.796 175.830 176.600 0.043 0.000 0.948 376 E CA -0.369 56.057 56.400 0.044 0.000 0.802 376 E CB 1.563 31.291 29.700 0.047 0.000 1.137 376 E HN 0.066 nan 8.360 nan 0.000 0.397 377 E N 2.404 122.621 120.200 0.028 0.000 2.498 377 E HA -0.008 4.342 4.350 -0.001 0.000 0.252 377 E C -1.014 175.609 176.600 0.037 0.000 1.025 377 E CA 0.604 57.017 56.400 0.022 0.000 0.938 377 E CB 0.345 30.052 29.700 0.012 0.000 0.947 377 E HN 0.330 nan 8.360 nan 0.000 0.478 378 T N 3.925 118.506 114.554 0.045 0.000 2.896 378 T HA 0.335 4.684 4.350 -0.001 0.000 0.297 378 T C -0.687 174.050 174.700 0.061 0.000 1.108 378 T CA -0.815 61.327 62.100 0.069 0.000 1.004 378 T CB 1.191 70.135 68.868 0.126 0.000 1.159 378 T HN 0.417 nan 8.240 nan 0.000 0.499 379 L N 2.120 123.382 121.223 0.064 0.000 2.290 379 L HA 0.606 4.945 4.340 -0.001 0.000 0.284 379 L C -1.188 175.729 176.870 0.078 0.000 1.078 379 L CA -0.237 54.634 54.840 0.053 0.000 0.815 379 L CB 0.062 42.143 42.059 0.036 0.000 1.162 379 L HN 0.554 nan 8.230 nan 0.000 0.435 380 I N 4.769 125.384 120.570 0.076 0.000 2.410 380 I HA 0.284 4.454 4.170 -0.001 0.000 0.286 380 I C -0.328 175.826 176.117 0.063 0.000 1.009 380 I CA -0.662 60.698 61.300 0.101 0.000 1.111 380 I CB 1.377 39.469 38.000 0.152 0.000 1.262 380 I HN 0.593 nan 8.210 nan 0.000 0.443 381 D N 5.553 125.984 120.400 0.052 0.000 2.708 381 D HA -0.207 4.432 4.640 -0.001 0.000 0.236 381 D C 1.172 177.490 176.300 0.030 0.000 1.146 381 D CA 1.484 55.508 54.000 0.040 0.000 0.662 381 D CB -0.662 40.169 40.800 0.052 0.000 1.059 381 D HN 1.190 nan 8.370 nan 0.000 0.428 382 G N -2.065 106.750 108.800 0.025 0.000 2.205 382 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.261 382 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.261 382 G C 0.390 175.298 174.900 0.014 0.000 0.980 382 G CA 0.340 45.451 45.100 0.018 0.000 0.632 382 G HN 0.587 nan 8.290 nan 0.000 0.533 383 V N 1.377 121.301 119.914 0.016 0.000 2.398 383 V HA 0.552 4.672 4.120 -0.001 0.000 0.286 383 V C 0.782 176.881 176.094 0.007 0.000 1.026 383 V CA -0.837 61.466 62.300 0.006 0.000 0.868 383 V CB 1.616 33.439 31.823 -0.001 0.000 0.982 383 V HN 0.387 nan 8.190 nan 0.000 0.443 384 R N 3.380 123.880 120.500 -0.000 0.000 2.234 384 R HA 0.587 4.927 4.340 -0.001 0.000 0.324 384 R C -1.204 175.089 176.300 -0.011 0.000 1.054 384 R CA -0.264 55.837 56.100 0.002 0.000 0.912 384 R CB 1.214 31.515 30.300 0.001 0.000 1.030 384 R HN 0.592 nan 8.270 nan 0.000 0.455 385 V N 7.516 127.423 119.914 -0.011 0.000 2.459 385 V HA 0.347 4.467 4.120 -0.001 0.000 0.295 385 V C -2.083 173.998 176.094 -0.022 0.000 1.029 385 V CA -2.265 60.018 62.300 -0.029 0.000 0.874 385 V CB 1.665 33.458 31.823 -0.050 0.000 0.985 385 V HN 0.791 nan 8.190 nan 0.000 0.438 386 P HA 0.207 nan 4.420 nan 0.000 0.271 386 P C 0.341 177.632 177.300 -0.015 0.000 1.233 386 P CA 0.152 63.241 63.100 -0.017 0.000 0.789 386 P CB 0.508 32.195 31.700 -0.022 0.000 0.951 387 G N 0.485 109.282 108.800 -0.004 0.000 2.634 387 G HA2 0.162 4.122 3.960 -0.001 0.000 0.255 387 G HA3 0.162 4.122 3.960 -0.001 0.000 0.255 387 G C 0.184 175.083 174.900 -0.001 0.000 1.205 387 G CA -0.311 44.791 45.100 0.003 0.000 0.884 387 G HN 0.690 nan 8.290 nan 0.000 0.549 388 N N -1.739 116.965 118.700 0.006 0.000 2.747 388 N HA -0.178 4.561 4.740 -0.001 0.000 0.249 388 N C -0.196 175.312 175.510 -0.003 0.000 1.107 388 N CA 1.295 54.349 53.050 0.006 0.000 0.707 388 N CB -1.082 37.409 38.487 0.006 0.000 1.054 388 N HN 0.572 nan 8.380 nan 0.000 0.555 389 T N 0.899 115.446 114.554 -0.011 0.000 2.807 389 T HA 0.504 4.854 4.350 -0.001 0.000 0.279 389 T C -2.714 171.974 174.700 -0.020 0.000 0.993 389 T CA -1.172 60.913 62.100 -0.026 0.000 0.970 389 T CB 2.092 70.933 68.868 -0.045 0.000 0.950 389 T HN -0.069 nan 8.240 nan 0.000 0.441 390 P HA 0.282 nan 4.420 nan 0.000 0.276 390 P C -0.673 176.651 177.300 0.040 0.000 1.243 390 P CA -0.407 62.728 63.100 0.057 0.000 0.768 390 P CB 0.393 32.117 31.700 0.040 0.000 0.856 391 L N 4.225 125.446 121.223 -0.004 0.000 2.265 391 L HA 0.370 4.710 4.340 -0.001 0.000 0.288 391 L C 0.526 177.222 176.870 -0.291 0.000 1.058 391 L CA -0.661 54.019 54.840 -0.266 0.000 0.809 391 L CB 0.692 42.461 42.059 -0.484 0.000 1.179 391 L HN 0.286 nan 8.230 nan 0.000 0.429 392 L N 4.011 124.987 121.223 -0.412 0.000 2.275 392 L HA 0.506 4.845 4.340 -0.001 0.000 0.288 392 L C -1.189 175.330 176.870 -0.585 0.000 1.046 392 L CA -0.173 54.402 54.840 -0.442 0.000 0.805 392 L CB 0.764 42.675 42.059 -0.246 0.000 1.193 392 L HN 0.333 nan 8.230 nan 0.000 0.426 393 F N 3.139 123.088 119.950 -0.002 0.000 2.507 393 F HA 0.456 4.983 4.527 -0.001 0.000 0.325 393 F C 0.170 176.215 175.800 0.408 0.000 1.116 393 F CA -0.543 57.575 58.000 0.197 0.000 0.930 393 F CB 2.152 41.232 39.000 0.133 0.000 1.146 393 F HN 0.308 nan 8.300 nan 0.000 0.447 394 S N 1.385 117.441 115.700 0.593 0.000 2.779 394 S HA 0.205 4.674 4.470 -0.001 0.000 0.293 394 S C 0.495 175.181 174.600 0.143 0.000 1.150 394 S CA -0.364 58.103 58.200 0.444 0.000 1.057 394 S CB 1.369 64.745 63.200 0.293 0.000 1.021 394 S HN 0.805 nan 8.310 nan 0.000 0.485 395 T N 3.593 117.947 114.554 -0.334 0.000 3.023 395 T HA -0.059 4.291 4.350 -0.001 0.000 0.266 395 T C 1.356 175.947 174.700 -0.182 0.000 1.093 395 T CA 1.317 62.981 62.100 -0.727 0.000 1.129 395 T CB -0.406 67.720 68.868 -1.236 0.000 0.899 395 T HN 0.750 nan 8.240 nan 0.000 0.491 396 Y N 1.157 121.391 120.300 -0.110 0.000 2.145 396 Y HA -0.072 4.477 4.550 -0.000 0.000 0.286 396 Y C 2.212 178.087 175.900 -0.042 0.000 1.145 396 Y CA 1.449 59.508 58.100 -0.070 0.000 1.148 396 Y CB -0.526 37.924 38.460 -0.018 0.000 0.981 396 Y HN 0.045 nan 8.280 nan 0.000 0.507 397 V N 0.733 120.763 119.914 0.193 0.000 2.295 397 V HA -0.368 3.752 4.120 -0.001 0.000 0.246 397 V C 2.345 178.514 176.094 0.125 0.000 1.049 397 V CA 2.419 64.808 62.300 0.148 0.000 1.024 397 V CB -0.618 31.333 31.823 0.213 0.000 0.648 397 V HN 0.499 nan 8.190 nan 0.000 0.447 398 M N 0.130 119.841 119.600 0.184 0.000 2.229 398 M HA -0.039 4.441 4.480 -0.001 0.000 0.264 398 M C 2.247 178.778 176.300 0.386 0.000 1.063 398 M CA 1.826 57.328 55.300 0.338 0.000 1.114 398 M CB -0.826 31.926 32.600 0.254 0.000 1.387 398 M HN 0.471 nan 8.290 nan 0.000 0.420 399 G N 0.376 109.250 108.800 0.124 0.000 2.448 399 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.219 399 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.219 399 G C 1.618 176.419 174.900 -0.164 0.000 1.127 399 G CA 0.542 45.573 45.100 -0.115 0.000 0.766 399 G HN 0.422 nan 8.290 nan 0.000 0.552 400 R N -1.000 119.422 120.500 -0.130 0.000 2.397 400 R HA 0.364 4.704 4.340 -0.001 0.000 0.241 400 R C 0.308 176.588 176.300 -0.033 0.000 0.914 400 R CA -0.295 55.709 56.100 -0.161 0.000 1.071 400 R CB 0.352 30.456 30.300 -0.328 0.000 1.116 400 R HN 0.288 nan 8.270 nan 0.000 0.524 401 M N 1.644 121.292 119.600 0.080 0.000 2.146 401 M HA 0.034 4.514 4.480 -0.001 0.000 0.357 401 M C 0.353 176.640 176.300 -0.022 0.000 1.261 401 M CA -0.223 55.084 55.300 0.012 0.000 1.106 401 M CB 1.369 33.960 32.600 -0.014 0.000 1.612 401 M HN 0.042 nan 8.290 nan 0.000 0.470 402 D N -0.333 120.020 120.400 -0.079 0.000 2.371 402 D HA -0.125 4.515 4.640 -0.001 0.000 0.221 402 D C 1.485 177.702 176.300 -0.138 0.000 0.986 402 D CA 0.848 54.805 54.000 -0.072 0.000 0.899 402 D CB -0.254 40.507 40.800 -0.065 0.000 0.902 402 D HN 0.571 nan 8.370 nan 0.000 0.530 403 T N -1.954 112.427 114.554 -0.288 0.000 3.067 403 T HA -0.020 4.329 4.350 -0.001 0.000 0.261 403 T C 0.528 175.002 174.700 -0.376 0.000 1.110 403 T CA 0.571 62.443 62.100 -0.381 0.000 1.113 403 T CB -0.162 68.404 68.868 -0.502 0.000 0.917 403 T HN 0.167 nan 8.240 nan 0.000 0.499 404 Y N -0.821 119.416 120.300 -0.104 0.000 2.581 404 Y HA 0.491 5.040 4.550 -0.001 0.000 0.271 404 Y C 0.111 175.644 175.900 -0.611 0.000 1.100 404 Y CA -1.185 56.724 58.100 -0.318 0.000 1.281 404 Y CB 0.418 38.716 38.460 -0.270 0.000 1.237 404 Y HN 0.126 nan 8.280 nan 0.000 0.514 405 F N 1.030 121.003 119.950 0.038 0.000 2.499 405 F HA 0.307 4.834 4.527 -0.000 0.000 0.333 405 F C 0.114 175.867 175.800 -0.078 0.000 1.138 405 F CA -1.527 56.443 58.000 -0.050 0.000 0.945 405 F CB 1.354 40.308 39.000 -0.076 0.000 1.181 405 F HN -0.220 nan 8.300 nan 0.000 0.435 406 E N 2.769 123.006 120.200 0.062 0.000 2.415 406 E HA -0.024 4.326 4.350 -0.001 0.000 0.260 406 E C -0.563 176.044 176.600 0.011 0.000 1.016 406 E CA 0.284 56.689 56.400 0.008 0.000 0.924 406 E CB 0.210 29.898 29.700 -0.020 0.000 0.961 406 E HN 0.711 nan 8.360 nan 0.000 0.459 407 D N 4.244 124.640 120.400 -0.007 0.000 2.927 407 D HA -0.134 4.506 4.640 -0.001 0.000 0.236 407 D C -1.797 174.487 176.300 -0.026 0.000 1.163 407 D CA 0.353 54.341 54.000 -0.019 0.000 0.801 407 D CB 0.287 41.074 40.800 -0.022 0.000 0.975 407 D HN 0.430 nan 8.370 nan 0.000 0.413 408 P HA -0.171 nan 4.420 nan 0.000 0.218 408 P C 1.597 178.825 177.300 -0.121 0.000 1.148 408 P CA 0.905 63.973 63.100 -0.054 0.000 0.822 408 P CB 0.122 31.797 31.700 -0.042 0.000 0.784 409 L N -1.012 120.155 121.223 -0.094 0.000 2.599 409 L HA 0.056 4.396 4.340 -0.001 0.000 0.230 409 L C 0.608 177.443 176.870 -0.058 0.000 1.141 409 L CA 0.432 55.214 54.840 -0.097 0.000 0.877 409 L CB -0.854 41.162 42.059 -0.072 0.000 1.009 409 L HN -0.083 nan 8.230 nan 0.000 0.447 410 T N 0.274 114.800 114.554 -0.047 0.000 2.780 410 T HA 0.123 4.473 4.350 -0.001 0.000 0.294 410 T C -0.341 174.367 174.700 0.012 0.000 0.949 410 T CA -0.266 61.832 62.100 -0.004 0.000 1.074 410 T CB 0.631 69.493 68.868 -0.010 0.000 0.910 410 T HN -0.061 nan 8.240 nan 0.000 0.501 411 F N 4.946 124.859 119.950 -0.063 0.000 2.494 411 F HA 0.294 4.821 4.527 -0.000 0.000 0.351 411 F C 0.479 176.270 175.800 -0.015 0.000 1.205 411 F CA -0.570 57.406 58.000 -0.040 0.000 1.125 411 F CB -0.068 38.931 39.000 -0.001 0.000 1.268 411 F HN 0.408 nan 8.300 nan 0.000 0.593 412 N N 7.697 126.240 118.700 -0.262 0.000 2.623 412 N HA 0.381 5.120 4.740 -0.001 0.000 0.256 412 N C -2.309 173.070 175.510 -0.218 0.000 1.045 412 N CA -2.385 50.575 53.050 -0.150 0.000 0.863 412 N CB 1.573 40.015 38.487 -0.076 0.000 1.182 412 N HN 0.113 nan 8.380 nan 0.000 0.523 413 P HA -0.046 nan 4.420 nan 0.000 0.222 413 P C 0.335 177.651 177.300 0.027 0.000 1.147 413 P CA 0.842 63.856 63.100 -0.143 0.000 0.790 413 P CB 0.385 31.960 31.700 -0.209 0.000 0.780 414 D N -0.532 119.899 120.400 0.052 0.000 2.263 414 D HA -0.125 4.515 4.640 -0.001 0.000 0.208 414 D C 1.848 178.135 176.300 -0.021 0.000 0.971 414 D CA 0.734 54.770 54.000 0.061 0.000 0.867 414 D CB -0.340 40.487 40.800 0.045 0.000 0.929 414 D HN 0.242 nan 8.370 nan 0.000 0.492 415 R N -0.324 120.107 120.500 -0.115 0.000 2.139 415 R HA -0.133 4.207 4.340 -0.001 0.000 0.243 415 R C 1.121 177.138 176.300 -0.473 0.000 1.145 415 R CA 0.896 56.802 56.100 -0.324 0.000 0.976 415 R CB -0.205 29.791 30.300 -0.506 0.000 0.866 415 R HN 0.239 nan 8.270 nan 0.000 0.449 416 F N -0.375 119.522 119.950 -0.087 0.000 2.668 416 F HA 0.287 4.814 4.527 -0.000 0.000 0.301 416 F C 1.448 177.234 175.800 -0.024 0.000 1.106 416 F CA -0.553 57.405 58.000 -0.070 0.000 1.289 416 F CB 0.361 39.297 39.000 -0.106 0.000 1.006 416 F HN -0.053 nan 8.300 nan 0.000 0.535 417 G N 1.005 109.870 108.800 0.108 0.000 2.683 417 G HA2 0.291 4.251 3.960 -0.001 0.000 0.260 417 G HA3 0.291 4.251 3.960 -0.001 0.000 0.260 417 G C -2.451 172.491 174.900 0.070 0.000 1.238 417 G CA -0.940 44.221 45.100 0.101 0.000 0.934 417 G HN -0.074 nan 8.290 nan 0.000 0.534 418 P HA 0.256 nan 4.420 nan 0.000 0.271 418 P C 0.928 178.242 177.300 0.023 0.000 1.216 418 P CA 1.014 64.140 63.100 0.042 0.000 0.776 418 P CB 1.040 32.762 31.700 0.038 0.000 0.881 419 G N 1.303 110.113 108.800 0.017 0.000 2.257 419 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.267 419 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.267 419 G C 0.462 175.358 174.900 -0.007 0.000 0.984 419 G CA 0.217 45.320 45.100 0.005 0.000 0.626 419 G HN 0.892 nan 8.290 nan 0.000 0.540 420 A N 1.017 123.831 122.820 -0.009 0.000 2.409 420 A HA 0.655 4.974 4.320 -0.001 0.000 0.262 420 A C -1.487 176.071 177.584 -0.044 0.000 1.113 420 A CA -0.806 51.210 52.037 -0.036 0.000 0.790 420 A CB 0.237 19.205 19.000 -0.052 0.000 1.046 420 A HN 0.196 nan 8.150 nan 0.000 0.496 421 P HA 0.105 nan 4.420 nan 0.000 0.262 421 P C -0.397 176.853 177.300 -0.083 0.000 1.199 421 P CA 0.262 63.324 63.100 -0.063 0.000 0.763 421 P CB 0.275 31.931 31.700 -0.073 0.000 0.790 422 K N 4.986 125.358 120.400 -0.046 0.000 2.355 422 K HA 0.154 4.473 4.320 -0.001 0.000 0.270 422 K C -1.745 174.820 176.600 -0.058 0.000 1.003 422 K CA -1.199 55.077 56.287 -0.019 0.000 0.957 422 K CB -0.414 32.106 32.500 0.034 0.000 0.939 422 K HN 0.430 nan 8.250 nan 0.000 0.482 423 P HA -0.049 nan 4.420 nan 0.000 0.264 423 P C -0.916 176.342 177.300 -0.071 0.000 1.183 423 P CA 0.279 63.351 63.100 -0.048 0.000 0.763 423 P CB 0.512 32.311 31.700 0.166 0.000 0.807 424 R N 3.447 123.870 120.500 -0.128 0.000 2.278 424 R HA 0.260 4.600 4.340 -0.001 0.000 0.322 424 R C -0.133 176.111 176.300 -0.093 0.000 1.058 424 R CA -0.609 55.357 56.100 -0.222 0.000 0.991 424 R CB -0.735 29.508 30.300 -0.095 0.000 1.140 424 R HN 0.410 nan 8.270 nan 0.000 0.518 425 F N 0.749 120.729 119.950 0.051 0.000 3.093 425 F HA -0.299 4.228 4.527 -0.001 0.000 0.287 425 F C 0.987 176.840 175.800 0.089 0.000 0.882 425 F CA 1.173 59.200 58.000 0.045 0.000 1.063 425 F CB -1.775 37.194 39.000 -0.051 0.000 1.097 425 F HN 0.540 nan 8.300 nan 0.000 0.604 426 T N -4.095 110.596 114.554 0.228 0.000 3.091 426 T HA 0.329 4.679 4.350 -0.001 0.000 0.277 426 T C -0.522 174.442 174.700 0.441 0.000 0.996 426 T CA -0.094 62.095 62.100 0.148 0.000 0.897 426 T CB 0.370 69.114 68.868 -0.207 0.000 1.109 426 T HN 0.382 nan 8.240 nan 0.000 0.534 427 Y N 1.880 122.389 120.300 0.348 0.000 2.274 427 Y HA 0.490 5.040 4.550 -0.001 0.000 0.323 427 Y C -2.164 173.906 175.900 0.283 0.000 1.171 427 Y CA -2.657 55.578 58.100 0.225 0.000 1.163 427 Y CB 0.787 39.468 38.460 0.367 0.000 1.183 427 Y HN 0.253 nan 8.280 nan 0.000 0.424 428 F N 6.587 126.391 119.950 -0.242 0.000 2.664 428 F HA 0.512 5.039 4.527 -0.000 0.000 0.353 428 F C -2.517 173.114 175.800 -0.281 0.000 1.498 428 F CA -2.171 55.693 58.000 -0.227 0.000 1.109 428 F CB 0.474 39.449 39.000 -0.042 0.000 1.728 428 F HN 0.092 nan 8.300 nan 0.000 0.580 429 P HA -0.122 nan 4.420 nan 0.000 0.219 429 P C 0.662 177.624 177.300 -0.564 0.000 1.146 429 P CA 1.389 64.138 63.100 -0.585 0.000 0.808 429 P CB -0.001 31.222 31.700 -0.796 0.000 0.779 430 F N -0.744 119.123 119.950 -0.138 0.000 2.639 430 F HA 0.326 4.852 4.527 -0.000 0.000 0.300 430 F C 1.366 177.153 175.800 -0.021 0.000 1.109 430 F CA -0.125 57.828 58.000 -0.078 0.000 1.335 430 F CB -0.368 38.585 39.000 -0.077 0.000 1.014 430 F HN -0.118 nan 8.300 nan 0.000 0.537 431 S N 0.248 116.051 115.700 0.173 0.000 3.585 431 S HA -0.161 4.309 4.470 -0.001 0.000 0.638 431 S C -0.761 173.907 174.600 0.113 0.000 2.340 431 S CA 0.116 58.422 58.200 0.176 0.000 2.517 431 S CB -0.657 62.576 63.200 0.056 0.000 0.329 431 S HN 0.263 nan 8.310 nan 0.000 1.795 432 L N 0.693 121.911 121.223 -0.008 0.000 2.415 432 L HA 0.720 5.060 4.340 -0.001 0.000 0.256 432 L C 0.857 177.723 176.870 -0.007 0.000 1.010 432 L CA -0.216 54.623 54.840 -0.002 0.000 0.826 432 L CB 1.546 43.584 42.059 -0.034 0.000 1.405 432 L HN 1.655 nan 8.230 nan 0.000 0.410 433 G N 0.361 109.198 108.800 0.062 0.000 2.542 433 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.235 433 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.235 433 G C 0.405 175.413 174.900 0.180 0.000 1.286 433 G CA 0.745 45.926 45.100 0.134 0.000 0.904 433 G HN 1.162 nan 8.290 nan 0.000 0.577 434 H N -0.633 118.481 119.070 0.074 0.000 2.457 434 H HA 0.234 4.790 4.556 -0.000 0.000 0.294 434 H C 2.115 177.488 175.328 0.075 0.000 1.064 434 H CA 1.178 57.325 56.048 0.166 0.000 1.330 434 H CB 0.070 29.994 29.762 0.270 0.000 1.395 434 H HN 0.296 nan 8.280 nan 0.000 0.541 435 R N 1.897 122.073 120.500 -0.540 0.000 2.426 435 R HA 0.149 4.489 4.340 -0.001 0.000 0.263 435 R C 0.320 176.500 176.300 -0.201 0.000 0.961 435 R CA 0.333 56.109 56.100 -0.540 0.000 1.086 435 R CB -0.098 29.739 30.300 -0.771 0.000 1.186 435 R HN 0.515 nan 8.270 nan 0.000 0.537 436 S N -0.642 115.017 115.700 -0.067 0.000 2.606 436 S HA 0.018 4.488 4.470 -0.001 0.000 0.257 436 S C 0.674 175.282 174.600 0.013 0.000 1.327 436 S CA -0.746 57.454 58.200 0.000 0.000 0.984 436 S CB 1.043 64.269 63.200 0.043 0.000 0.941 436 S HN 0.314 nan 8.310 nan 0.000 0.576 437 C N 2.269 121.598 119.300 0.049 0.000 2.657 437 C HA 0.220 4.679 4.460 -0.001 0.000 0.404 437 C C 1.777 176.734 174.990 -0.055 0.000 1.369 437 C CA -0.572 58.464 59.018 0.030 0.000 1.665 437 C CB -2.185 25.669 27.740 0.191 0.000 2.453 437 C HN 0.928 nan 8.230 nan 0.000 0.599 438 I N 4.572 125.054 120.570 -0.147 0.000 2.493 438 I HA 0.036 4.206 4.170 -0.001 0.000 0.254 438 I C 1.975 177.792 176.117 -0.500 0.000 1.160 438 I CA 1.767 62.872 61.300 -0.325 0.000 1.445 438 I CB -0.014 37.726 38.000 -0.433 0.000 1.086 438 I HN 0.897 nan 8.210 nan 0.000 0.433 439 G N -0.183 108.420 108.800 -0.328 0.000 3.284 439 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.236 439 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.236 439 G C 1.193 176.146 174.900 0.089 0.000 1.158 439 G CA -0.119 44.922 45.100 -0.097 0.000 0.774 439 G HN 0.431 nan 8.290 nan 0.000 0.545 440 Q N 0.109 119.873 119.800 -0.060 0.000 2.014 440 Q HA -0.274 4.065 4.340 -0.001 0.000 0.207 440 Q C 2.401 178.275 176.000 -0.210 0.000 0.993 440 Q CA 2.155 57.744 55.803 -0.357 0.000 0.850 440 Q CB -0.007 28.341 28.738 -0.649 0.000 0.916 440 Q HN 0.488 nan 8.270 nan 0.000 0.417 441 Q N -0.219 119.556 119.800 -0.042 0.000 2.084 441 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 441 Q C 1.723 177.853 176.000 0.216 0.000 0.978 441 Q CA 1.803 57.651 55.803 0.075 0.000 0.844 441 Q CB -0.452 28.365 28.738 0.131 0.000 0.898 441 Q HN 0.466 nan 8.270 nan 0.000 0.426 442 F N 0.781 120.847 119.950 0.195 0.000 2.091 442 F HA -0.320 4.207 4.527 -0.001 0.000 0.299 442 F C 2.046 177.914 175.800 0.115 0.000 1.103 442 F CA 1.482 59.658 58.000 0.292 0.000 1.228 442 F CB -0.240 39.014 39.000 0.424 0.000 0.984 442 F HN 0.107 nan 8.300 nan 0.000 0.477 443 A N -0.134 122.955 122.820 0.449 0.000 1.855 443 A HA -0.223 4.096 4.320 -0.001 0.000 0.215 443 A C 2.077 179.736 177.584 0.124 0.000 1.191 443 A CA 1.701 53.917 52.037 0.298 0.000 0.613 443 A CB -0.997 18.218 19.000 0.359 0.000 0.829 443 A HN 0.583 nan 8.150 nan 0.000 0.442 444 Q N -1.035 118.820 119.800 0.091 0.000 2.135 444 Q HA -0.192 4.147 4.340 -0.001 0.000 0.204 444 Q C 2.184 178.185 176.000 0.003 0.000 0.981 444 Q CA 1.830 57.663 55.803 0.050 0.000 0.856 444 Q CB -0.300 28.425 28.738 -0.022 0.000 0.902 444 Q HN 0.727 nan 8.270 nan 0.000 0.425 445 M N 0.248 119.835 119.600 -0.022 0.000 2.077 445 M HA -0.189 4.291 4.480 -0.001 0.000 0.261 445 M C 2.241 178.353 176.300 -0.313 0.000 1.070 445 M CA 1.718 56.989 55.300 -0.049 0.000 1.125 445 M CB -0.277 32.416 32.600 0.156 0.000 1.339 445 M HN 0.232 nan 8.290 nan 0.000 0.409 446 E N 0.675 120.441 120.200 -0.724 0.000 2.106 446 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 446 E C 1.720 178.125 176.600 -0.326 0.000 0.984 446 E CA 1.849 57.705 56.400 -0.907 0.000 0.806 446 E CB -0.524 28.527 29.700 -1.081 0.000 0.750 446 E HN 0.491 nan 8.360 nan 0.000 0.458 447 V N -0.812 119.014 119.914 -0.146 0.000 2.719 447 V HA -0.048 4.072 4.120 -0.001 0.000 0.252 447 V C 2.134 178.203 176.094 -0.040 0.000 1.065 447 V CA 1.354 63.630 62.300 -0.040 0.000 1.086 447 V CB -0.439 31.444 31.823 0.100 0.000 0.700 447 V HN 0.055 nan 8.190 nan 0.000 0.467 448 K N 0.561 120.937 120.400 -0.039 0.000 2.025 448 K HA -0.029 4.291 4.320 -0.001 0.000 0.207 448 K C 2.216 178.794 176.600 -0.037 0.000 1.049 448 K CA 1.702 57.972 56.287 -0.028 0.000 0.933 448 K CB -0.448 32.038 32.500 -0.022 0.000 0.714 448 K HN 0.445 nan 8.250 nan 0.000 0.438 449 V N 1.116 120.995 119.914 -0.059 0.000 2.287 449 V HA -0.243 3.877 4.120 -0.001 0.000 0.248 449 V C 2.305 178.384 176.094 -0.025 0.000 1.053 449 V CA 1.593 63.870 62.300 -0.038 0.000 1.027 449 V CB -0.380 31.433 31.823 -0.018 0.000 0.646 449 V HN 0.096 nan 8.190 nan 0.000 0.447 450 V N -0.702 119.185 119.914 -0.044 0.000 2.261 450 V HA -0.296 3.824 4.120 -0.001 0.000 0.246 450 V C 2.500 178.585 176.094 -0.015 0.000 1.047 450 V CA 2.075 64.362 62.300 -0.022 0.000 1.015 450 V CB -0.584 31.217 31.823 -0.037 0.000 0.642 450 V HN 0.404 nan 8.190 nan 0.000 0.446 451 M N -0.335 119.245 119.600 -0.033 0.000 2.175 451 M HA -0.098 4.382 4.480 -0.001 0.000 0.264 451 M C 2.419 178.723 176.300 0.006 0.000 1.063 451 M CA 2.097 57.380 55.300 -0.028 0.000 1.119 451 M CB -1.434 31.139 32.600 -0.045 0.000 1.377 451 M HN 0.419 nan 8.290 nan 0.000 0.415 452 A N 0.422 123.246 122.820 0.007 0.000 1.908 452 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 452 A C 2.285 179.889 177.584 0.033 0.000 1.181 452 A CA 1.584 53.633 52.037 0.020 0.000 0.627 452 A CB -0.504 18.500 19.000 0.006 0.000 0.818 452 A HN 0.436 nan 8.150 nan 0.000 0.445 453 K N -0.357 120.062 120.400 0.032 0.000 2.057 453 K HA -0.018 4.301 4.320 -0.001 0.000 0.206 453 K C 1.908 178.552 176.600 0.073 0.000 1.050 453 K CA 1.220 57.536 56.287 0.047 0.000 0.935 453 K CB -0.426 32.102 32.500 0.046 0.000 0.715 453 K HN 0.523 nan 8.250 nan 0.000 0.439 454 L N 0.823 122.100 121.223 0.091 0.000 2.083 454 L HA -0.181 4.158 4.340 -0.001 0.000 0.209 454 L C 2.391 179.362 176.870 0.169 0.000 1.083 454 L CA 1.067 56.007 54.840 0.167 0.000 0.752 454 L CB -0.542 41.617 42.059 0.167 0.000 0.899 454 L HN 0.131 nan 8.230 nan 0.000 0.433 455 L N -0.849 120.441 121.223 0.112 0.000 2.156 455 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 455 L C 2.683 179.601 176.870 0.079 0.000 1.095 455 L CA 0.936 55.836 54.840 0.101 0.000 0.770 455 L CB -0.369 41.737 42.059 0.080 0.000 0.914 455 L HN 0.298 nan 8.230 nan 0.000 0.439 456 Q N -0.415 119.424 119.800 0.066 0.000 2.084 456 Q HA -0.151 4.189 4.340 -0.001 0.000 0.202 456 Q C 2.028 178.055 176.000 0.045 0.000 0.978 456 Q CA 1.355 57.188 55.803 0.050 0.000 0.844 456 Q CB 0.234 28.998 28.738 0.044 0.000 0.898 456 Q HN 0.410 nan 8.270 nan 0.000 0.426 457 R N -1.565 118.966 120.500 0.051 0.000 2.342 457 R HA 0.294 4.634 4.340 -0.001 0.000 0.204 457 R C 0.141 176.442 176.300 0.002 0.000 0.882 457 R CA 0.225 56.343 56.100 0.029 0.000 1.041 457 R CB 0.888 31.207 30.300 0.033 0.000 1.188 457 R HN 0.120 nan 8.270 nan 0.000 0.598 458 L N 1.232 122.464 121.223 0.015 0.000 2.401 458 L HA 0.435 4.774 4.340 -0.001 0.000 0.266 458 L C -0.693 176.134 176.870 -0.071 0.000 0.991 458 L CA -0.700 54.079 54.840 -0.101 0.000 0.818 458 L CB 2.901 44.816 42.059 -0.239 0.000 1.321 458 L HN -0.143 nan 8.230 nan 0.000 0.413 459 E N 1.666 121.757 120.200 -0.182 0.000 2.183 459 E HA 0.534 4.883 4.350 -0.001 0.000 0.271 459 E C -1.609 174.856 176.600 -0.225 0.000 0.919 459 E CA -0.549 55.810 56.400 -0.067 0.000 0.781 459 E CB 2.185 31.871 29.700 -0.024 0.000 1.140 459 E HN 0.213 nan 8.360 nan 0.000 0.402 460 F N 1.714 121.667 119.950 0.004 0.000 2.469 460 F HA 0.457 4.984 4.527 -0.001 0.000 0.332 460 F C 0.349 176.150 175.800 0.002 0.000 1.103 460 F CA -0.767 57.232 58.000 -0.002 0.000 0.979 460 F CB 1.410 40.404 39.000 -0.009 0.000 1.137 460 F HN 0.105 nan 8.300 nan 0.000 0.463 461 R N 3.135 123.723 120.500 0.147 0.000 2.439 461 R HA 0.465 4.805 4.340 -0.001 0.000 0.310 461 R C -1.366 174.987 176.300 0.089 0.000 0.955 461 R CA -1.197 54.962 56.100 0.097 0.000 0.853 461 R CB 2.380 32.708 30.300 0.047 0.000 1.171 461 R HN 0.519 nan 8.270 nan 0.000 0.449 462 L N 3.319 124.586 121.223 0.073 0.000 2.410 462 L HA 0.114 4.454 4.340 -0.001 0.000 0.273 462 L C -0.169 176.704 176.870 0.005 0.000 1.152 462 L CA -0.032 54.821 54.840 0.023 0.000 0.855 462 L CB 1.157 43.208 42.059 -0.014 0.000 1.129 462 L HN 0.324 nan 8.230 nan 0.000 0.463 463 V N 7.832 127.736 119.914 -0.016 0.000 2.540 463 V HA 0.069 4.188 4.120 -0.001 0.000 0.297 463 V C -1.781 174.297 176.094 -0.027 0.000 1.024 463 V CA -0.994 61.296 62.300 -0.018 0.000 1.105 463 V CB 0.055 31.864 31.823 -0.024 0.000 0.938 463 V HN 0.778 nan 8.190 nan 0.000 0.482 464 P HA 0.181 nan 4.420 nan 0.000 0.261 464 P C 0.929 178.219 177.300 -0.016 0.000 1.183 464 P CA 1.518 64.617 63.100 -0.002 0.000 0.761 464 P CB 0.413 32.117 31.700 0.007 0.000 0.785 465 G N 1.572 110.361 108.800 -0.018 0.000 2.238 465 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.217 465 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.217 465 G C -0.001 174.864 174.900 -0.059 0.000 0.996 465 G CA -0.530 44.555 45.100 -0.026 0.000 0.632 465 G HN 0.518 nan 8.290 nan 0.000 0.503 466 Q N 1.418 121.155 119.800 -0.106 0.000 2.296 466 Q HA 0.431 4.771 4.340 -0.001 0.000 0.262 466 Q C 0.882 176.718 176.000 -0.275 0.000 0.981 466 Q CA 0.196 55.886 55.803 -0.189 0.000 0.905 466 Q CB 0.955 29.549 28.738 -0.240 0.000 1.186 466 Q HN 0.587 nan 8.270 nan 0.000 0.399 467 R N 0.975 121.342 120.500 -0.222 0.000 2.580 467 R HA 0.307 4.646 4.340 -0.001 0.000 0.267 467 R C 0.098 176.198 176.300 -0.333 0.000 1.125 467 R CA -0.192 55.813 56.100 -0.159 0.000 1.188 467 R CB 0.496 30.776 30.300 -0.033 0.000 1.155 467 R HN 0.457 nan 8.270 nan 0.000 0.586 468 F N -0.323 119.637 119.950 0.017 0.000 2.855 468 F HA 0.317 4.844 4.527 0.001 0.000 0.317 468 F C 0.915 176.765 175.800 0.083 0.000 1.169 468 F CA -0.409 57.609 58.000 0.029 0.000 1.299 468 F CB 0.927 39.947 39.000 0.034 0.000 0.962 468 F HN 0.568 nan 8.300 nan 0.000 0.506 469 G N 0.105 109.011 108.800 0.176 0.000 2.531 469 G HA2 0.637 4.597 3.960 -0.001 0.000 0.313 469 G HA3 0.637 4.597 3.960 -0.001 0.000 0.313 469 G C -1.132 173.895 174.900 0.213 0.000 1.238 469 G CA -0.441 44.769 45.100 0.183 0.000 0.994 469 G HN -0.003 nan 8.290 nan 0.000 0.493 470 L N -0.565 120.790 121.223 0.219 0.000 2.342 470 L HA 0.449 4.789 4.340 -0.001 0.000 0.271 470 L C 0.041 176.986 176.870 0.126 0.000 1.008 470 L CA -0.649 54.345 54.840 0.257 0.000 0.818 470 L CB 2.166 44.409 42.059 0.307 0.000 1.296 470 L HN 0.684 nan 8.230 nan 0.000 0.427 471 Q N 0.580 120.443 119.800 0.105 0.000 2.333 471 Q HA 0.446 4.786 4.340 -0.001 0.000 0.268 471 Q C -0.764 175.269 176.000 0.054 0.000 1.007 471 Q CA -0.611 55.220 55.803 0.047 0.000 0.810 471 Q CB 2.079 30.829 28.738 0.019 0.000 1.264 471 Q HN 0.550 nan 8.270 nan 0.000 0.452 472 E N 2.744 122.955 120.200 0.019 0.000 1.814 472 E HA 0.008 4.358 4.350 -0.001 0.000 0.264 472 E C -0.540 176.102 176.600 0.071 0.000 1.179 472 E CA 0.060 56.480 56.400 0.033 0.000 0.972 472 E CB 0.467 30.135 29.700 -0.052 0.000 1.077 472 E HN 0.564 nan 8.360 nan 0.000 0.417 473 Q N 1.732 121.579 119.800 0.080 0.000 3.028 473 Q HA 0.441 4.781 4.340 -0.001 0.000 0.204 473 Q C 1.284 177.335 176.000 0.085 0.000 1.155 473 Q CA 0.637 56.483 55.803 0.070 0.000 0.447 473 Q CB 0.068 28.830 28.738 0.041 0.000 5.412 473 Q HN 0.504 nan 8.270 nan 0.000 0.322 474 A N -0.615 122.238 122.820 0.055 0.000 1.972 474 A HA 0.013 4.333 4.320 -0.001 0.000 0.219 474 A C 0.811 178.412 177.584 0.029 0.000 1.169 474 A CA 1.950 54.007 52.037 0.033 0.000 0.635 474 A CB -0.775 18.246 19.000 0.035 0.000 0.810 474 A HN 0.637 nan 8.150 nan 0.000 0.446 475 T N -4.387 110.194 114.554 0.045 0.000 2.804 475 T HA 0.624 4.974 4.350 -0.001 0.000 0.290 475 T C -0.463 174.309 174.700 0.121 0.000 1.099 475 T CA -0.893 61.244 62.100 0.061 0.000 1.011 475 T CB 0.738 69.617 68.868 0.017 0.000 1.291 475 T HN 0.081 nan 8.240 nan 0.000 0.523 476 L N 1.955 123.290 121.223 0.187 0.000 2.319 476 L HA 0.536 4.876 4.340 -0.001 0.000 0.280 476 L C 0.366 177.434 176.870 0.331 0.000 1.099 476 L CA -0.432 54.573 54.840 0.275 0.000 0.828 476 L CB 0.427 42.675 42.059 0.314 0.000 1.150 476 L HN 0.806 nan 8.230 nan 0.000 0.442 477 K N 3.115 123.624 120.400 0.182 0.000 2.533 477 K HA 0.648 4.968 4.320 -0.001 0.000 0.272 477 K C -3.032 173.388 176.600 -0.300 0.000 0.985 477 K CA -2.219 53.892 56.287 -0.295 0.000 0.876 477 K CB 1.726 34.072 32.500 -0.256 0.000 1.452 477 K HN 0.029 nan 8.250 nan 0.000 0.439 478 P HA -0.100 nan 4.420 nan 0.000 0.265 478 P C 0.511 177.731 177.300 -0.133 0.000 1.187 478 P CA -0.343 62.576 63.100 -0.302 0.000 0.766 478 P CB 0.366 31.819 31.700 -0.412 0.000 0.820 479 L N 3.422 124.621 121.223 -0.040 0.000 1.976 479 L HA -0.050 4.290 4.340 -0.001 0.000 0.209 479 L C 0.466 177.291 176.870 -0.074 0.000 1.071 479 L CA 2.070 56.890 54.840 -0.033 0.000 0.746 479 L CB -0.767 41.293 42.059 0.001 0.000 0.890 479 L HN 0.284 nan 8.230 nan 0.000 0.432 480 D N 0.245 120.582 120.400 -0.104 0.000 2.225 480 D HA 0.253 4.892 4.640 -0.001 0.000 0.249 480 D C -1.893 174.318 176.300 -0.148 0.000 1.052 480 D CA -1.741 52.188 54.000 -0.120 0.000 0.909 480 D CB 0.945 41.663 40.800 -0.137 0.000 1.186 480 D HN 0.176 nan 8.370 nan 0.000 0.431 481 P HA -0.024 nan 4.420 nan 0.000 0.263 481 P C -0.133 177.080 177.300 -0.146 0.000 1.386 481 P CA 0.046 63.065 63.100 -0.135 0.000 0.797 481 P CB -0.006 31.634 31.700 -0.099 0.000 1.381 482 V N -1.791 118.021 119.914 -0.170 0.000 6.029 482 V HA -0.245 3.874 4.120 -0.001 0.000 0.242 482 V C 0.601 176.628 176.094 -0.113 0.000 0.637 482 V CA 0.509 62.705 62.300 -0.174 0.000 0.603 482 V CB -2.447 29.255 31.823 -0.201 0.000 0.423 482 V HN 0.253 nan 8.190 nan 0.000 0.520 483 L N 1.765 122.932 121.223 -0.095 0.000 2.360 483 L HA 0.473 4.812 4.340 -0.001 0.000 0.276 483 L C 0.318 177.177 176.870 -0.018 0.000 1.121 483 L CA 0.120 54.932 54.840 -0.046 0.000 0.845 483 L CB 1.130 43.161 42.059 -0.045 0.000 1.143 483 L HN 0.597 nan 8.230 nan 0.000 0.452 484 C N 1.057 120.378 119.300 0.035 0.000 2.698 484 C HA 0.536 4.996 4.460 -0.001 0.000 0.309 484 C C 0.449 175.478 174.990 0.065 0.000 1.186 484 C CA -0.885 58.184 59.018 0.086 0.000 1.474 484 C CB 1.949 29.829 27.740 0.234 0.000 2.020 484 C HN 0.823 nan 8.230 nan 0.000 0.474 485 T N 0.881 115.458 114.554 0.039 0.000 2.845 485 T HA 0.733 5.083 4.350 -0.001 0.000 0.288 485 T C -0.683 173.990 174.700 -0.046 0.000 0.980 485 T CA -0.377 61.723 62.100 -0.001 0.000 1.071 485 T CB 0.497 69.361 68.868 -0.006 0.000 0.941 485 T HN 0.359 nan 8.240 nan 0.000 0.487 486 L N 2.114 123.274 121.223 -0.106 0.000 2.334 486 L HA 0.854 5.194 4.340 -0.001 0.000 0.272 486 L C 0.176 176.933 176.870 -0.189 0.000 1.020 486 L CA -0.758 53.933 54.840 -0.248 0.000 0.812 486 L CB 1.924 43.803 42.059 -0.300 0.000 1.264 486 L HN 0.788 nan 8.230 nan 0.000 0.439 487 R N 1.189 121.548 120.500 -0.235 0.000 2.561 487 R HA 0.529 4.868 4.340 -0.001 0.000 0.266 487 R C -2.841 173.369 176.300 -0.151 0.000 1.091 487 R CA -1.497 54.516 56.100 -0.144 0.000 0.927 487 R CB 1.983 32.226 30.300 -0.094 0.000 1.240 487 R HN 0.217 nan 8.270 nan 0.000 0.449 488 P HA 0.109 nan 4.420 nan 0.000 0.269 488 P C -0.531 176.738 177.300 -0.053 0.000 1.215 488 P CA -0.291 62.765 63.100 -0.074 0.000 0.780 488 P CB 0.569 32.241 31.700 -0.046 0.000 0.898 489 R N 0.000 120.480 120.500 -0.033 0.000 2.786 489 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 489 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 489 R CB 0.000 30.304 30.300 0.007 0.000 0.687 489 R HN 0.000 nan 8.270 nan 0.000 0.535