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 2c11_1_C DATA FIRST_RESID 58 DATA SEQUENCE QLFADLSREE LTAVMRFLTQ RLGPGLVDAA QARPSDNCVF SVELQLPPKA DATA SEQUENCE AALAHLDRGS PPPAREALAI VFFGRQPQPN VSELVVGPLP HPSYMRDVTV DATA SEQUENCE ERHGGPLPYH RRPVLFQEYL DIDQMIFNRE LPQASGLLHH CCFYKHRGRN DATA SEQUENCE LVTMTTAPRG LQSGDRATWF GLYYNISGAG FFLHHVGLEL LVNHKALDPA DATA SEQUENCE RWTIQKVFYQ GRYYDSLAQL EAQFEAGLVN VVLIPDNGTG GSWSLKSPVP DATA SEQUENCE PGPAPPLQFY PQGPRFSVQG SRVASSLWTF SFGLGAFSGP RIFDVRFQGE DATA SEQUENCE RLVYEISLQE ALAIYGGNSP AAMTTRYVDG GFGMGKYTTP LTRGVDcPYL DATA SEQUENCE ATYVDWHFLL ESQAPKTIRD AFcVFEQNQG LPLRRHHSDL YSHYFGGLAE DATA SEQUENCE TVLVVRSMST LLNXDYVWDT VFHPSGAIEI RFYATGYISS AFLFGATGKY DATA SEQUENCE GNQVSEHTLG TVHTHSAHFK VDLDVAGLEN WVWAEDMVFV PMAVPWSPEH DATA SEQUENCE QLQRLQVTRK LLEMEEQAAF LVGSATPRYL YLASNHSNKW GHPRGYRIQM DATA SEQUENCE LSFAGEPLPQ NSSMARGFSW ERYQLAVTQR KEEEPSSSSV FNQNDPWAPT DATA SEQUENCE VDFSDFINNE TIAGKDLVAW VTAGFLHIPH AEDIPNTVTV GNGVGFFLRP DATA SEQUENCE YNFFDEDPSF YSADSIYFRG DQ 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 58 Q HA 0.000 nan 4.340 nan 0.000 0.214 58 Q C 0.000 175.966 176.000 -0.057 0.000 1.003 58 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 58 Q CB 0.000 28.720 28.738 -0.031 0.000 1.108 59 L N -2.641 118.507 121.223 -0.126 0.000 2.629 59 L HA 0.424 4.764 4.340 0.000 0.000 0.230 59 L C 0.257 176.806 176.870 -0.534 0.000 1.151 59 L CA 0.473 55.130 54.840 -0.304 0.000 0.924 59 L CB -0.076 41.775 42.059 -0.347 0.000 1.137 59 L HN 0.261 nan 8.230 nan 0.000 0.457 60 F N 0.774 120.611 119.950 -0.188 0.000 2.727 60 F HA 0.496 5.023 4.527 0.000 0.000 0.302 60 F C 1.812 177.488 175.800 -0.206 0.000 1.107 60 F CA -0.250 57.551 58.000 -0.333 0.000 1.277 60 F CB 0.213 38.934 39.000 -0.466 0.000 1.079 60 F HN 0.107 nan 8.300 nan 0.000 0.594 61 A N 0.914 123.730 122.820 -0.006 0.000 2.531 61 A HA 0.068 4.388 4.320 0.000 0.000 0.236 61 A C -0.080 177.511 177.584 0.012 0.000 1.062 61 A CA -0.234 51.780 52.037 -0.038 0.000 0.760 61 A CB -0.169 18.789 19.000 -0.071 0.000 0.995 61 A HN 0.111 nan 8.150 nan 0.000 0.501 62 D N 1.096 121.543 120.400 0.078 0.000 2.399 62 D HA 0.246 4.886 4.640 0.000 0.000 0.241 62 D C 0.515 176.856 176.300 0.069 0.000 1.133 62 D CA 0.287 54.374 54.000 0.145 0.000 0.890 62 D CB 0.452 41.454 40.800 0.337 0.000 1.201 62 D HN 0.438 nan 8.370 nan 0.000 0.432 63 L N 1.172 122.414 121.223 0.032 0.000 2.483 63 L HA 0.058 4.398 4.340 0.000 0.000 0.276 63 L C 1.133 178.007 176.870 0.007 0.000 1.213 63 L CA 0.148 54.982 54.840 -0.010 0.000 0.843 63 L CB 0.235 42.271 42.059 -0.037 0.000 1.107 63 L HN 0.402 nan 8.230 nan 0.000 0.487 64 S N 1.606 117.300 115.700 -0.009 0.000 2.607 64 S HA 0.493 4.963 4.470 0.000 0.000 0.303 64 S C 0.807 175.286 174.600 -0.202 0.000 1.086 64 S CA -1.025 57.153 58.200 -0.038 0.000 0.995 64 S CB 2.022 65.202 63.200 -0.034 0.000 1.084 64 S HN 0.672 nan 8.310 nan 0.000 0.507 65 R N 1.184 121.453 120.500 -0.386 0.000 2.307 65 R HA -0.314 4.026 4.340 0.000 0.000 0.224 65 R C 1.775 177.955 176.300 -0.200 0.000 1.106 65 R CA 2.513 58.428 56.100 -0.308 0.000 0.840 65 R CB -1.543 28.541 30.300 -0.360 0.000 0.952 65 R HN 0.770 nan 8.270 nan 0.000 0.401 66 E N 0.639 120.729 120.200 -0.184 0.000 2.113 66 E HA -0.240 4.110 4.350 0.000 0.000 0.210 66 E C 2.011 178.527 176.600 -0.139 0.000 1.040 66 E CA 2.146 58.459 56.400 -0.145 0.000 0.847 66 E CB -0.269 29.348 29.700 -0.140 0.000 0.755 66 E HN 0.504 nan 8.360 nan 0.000 0.459 67 E N 0.095 120.211 120.200 -0.140 0.000 2.058 67 E HA -0.187 4.163 4.350 0.000 0.000 0.194 67 E C 2.298 178.834 176.600 -0.107 0.000 0.997 67 E CA 1.079 57.402 56.400 -0.128 0.000 0.801 67 E CB -0.268 29.366 29.700 -0.110 0.000 0.746 67 E HN 0.237 nan 8.360 nan 0.000 0.450 68 L N 0.786 121.944 121.223 -0.108 0.000 2.056 68 L HA -0.159 4.181 4.340 0.000 0.000 0.207 68 L C 2.669 179.494 176.870 -0.075 0.000 1.078 68 L CA 1.308 56.093 54.840 -0.093 0.000 0.749 68 L CB -0.602 41.383 42.059 -0.123 0.000 0.901 68 L HN 0.143 nan 8.230 nan 0.000 0.433 69 T N 0.009 114.509 114.554 -0.090 0.000 2.652 69 T HA -0.261 4.089 4.350 0.000 0.000 0.267 69 T C 2.029 176.710 174.700 -0.032 0.000 1.039 69 T CA 1.499 63.560 62.100 -0.065 0.000 1.153 69 T CB -0.439 68.383 68.868 -0.075 0.000 0.863 69 T HN 0.454 nan 8.240 nan 0.000 0.428 70 A N 0.938 123.729 122.820 -0.049 0.000 1.927 70 A HA -0.135 4.185 4.320 0.000 0.000 0.220 70 A C 2.595 180.199 177.584 0.032 0.000 1.185 70 A CA 1.932 53.953 52.037 -0.026 0.000 0.639 70 A CB -1.115 17.825 19.000 -0.099 0.000 0.820 70 A HN 0.398 nan 8.150 nan 0.000 0.451 71 V N -1.040 118.880 119.914 0.009 0.000 2.379 71 V HA -0.222 3.898 4.120 0.000 0.000 0.245 71 V C 2.486 178.660 176.094 0.133 0.000 1.044 71 V CA 2.099 64.439 62.300 0.067 0.000 1.036 71 V CB -0.657 31.173 31.823 0.013 0.000 0.664 71 V HN 0.649 nan 8.190 nan 0.000 0.453 72 M N 0.806 120.442 119.600 0.061 0.000 2.077 72 M HA -0.113 4.367 4.480 0.000 0.000 0.261 72 M C 2.288 178.620 176.300 0.054 0.000 1.070 72 M CA 1.897 57.224 55.300 0.045 0.000 1.125 72 M CB -0.906 31.696 32.600 0.003 0.000 1.339 72 M HN 0.215 nan 8.290 nan 0.000 0.409 73 R N -1.015 119.517 120.500 0.053 0.000 2.113 73 R HA -0.245 4.095 4.340 0.000 0.000 0.244 73 R C 2.214 178.558 176.300 0.073 0.000 1.142 73 R CA 2.271 58.402 56.100 0.051 0.000 0.953 73 R CB -0.949 29.384 30.300 0.054 0.000 0.860 73 R HN 0.469 nan 8.270 nan 0.000 0.438 74 F N 1.058 121.004 119.950 -0.007 0.000 2.234 74 F HA -0.073 4.454 4.527 0.000 0.000 0.299 74 F C 1.816 177.624 175.800 0.013 0.000 1.087 74 F CA 1.150 59.151 58.000 0.001 0.000 1.340 74 F CB -0.077 38.915 39.000 -0.014 0.000 1.031 74 F HN -0.001 nan 8.300 nan 0.000 0.500 75 L N -0.193 121.038 121.223 0.014 0.000 1.988 75 L HA -0.207 4.133 4.340 0.000 0.000 0.207 75 L C 2.644 179.462 176.870 -0.086 0.000 1.071 75 L CA 1.897 56.715 54.840 -0.037 0.000 0.744 75 L CB -1.266 40.832 42.059 0.066 0.000 0.893 75 L HN 0.249 nan 8.230 nan 0.000 0.433 76 T N -3.221 111.307 114.554 -0.043 0.000 2.897 76 T HA -0.216 4.134 4.350 0.000 0.000 0.271 76 T C 1.654 176.313 174.700 -0.069 0.000 1.084 76 T CA 1.086 63.166 62.100 -0.032 0.000 1.123 76 T CB -0.177 68.684 68.868 -0.011 0.000 0.865 76 T HN 0.389 nan 8.240 nan 0.000 0.496 77 Q N 0.329 120.046 119.800 -0.138 0.000 1.984 77 Q HA 0.109 4.449 4.340 0.000 0.000 0.196 77 Q C 2.813 178.687 176.000 -0.210 0.000 0.975 77 Q CA 0.667 56.368 55.803 -0.169 0.000 0.827 77 Q CB -0.043 28.569 28.738 -0.210 0.000 0.894 77 Q HN 0.365 nan 8.270 nan 0.000 0.438 78 R N 0.576 120.849 120.500 -0.378 0.000 2.189 78 R HA 0.010 4.350 4.340 0.000 0.000 0.218 78 R C 2.145 178.372 176.300 -0.122 0.000 1.074 78 R CA 0.600 56.521 56.100 -0.297 0.000 0.991 78 R CB -0.174 29.829 30.300 -0.495 0.000 0.883 78 R HN 0.291 nan 8.270 nan 0.000 0.457 79 L N -0.322 120.852 121.223 -0.081 0.000 2.313 79 L HA 0.009 4.349 4.340 0.000 0.000 0.214 79 L C 1.156 178.047 176.870 0.035 0.000 1.119 79 L CA 0.691 55.550 54.840 0.031 0.000 0.809 79 L CB -0.258 41.848 42.059 0.078 0.000 0.933 79 L HN 0.355 nan 8.230 nan 0.000 0.449 80 G N -0.775 108.023 108.800 -0.003 0.000 2.587 80 G HA2 -0.220 3.740 3.960 0.000 0.000 0.212 80 G HA3 -0.220 3.740 3.960 0.000 0.000 0.212 80 G C -2.063 172.847 174.900 0.017 0.000 1.327 80 G CA -0.350 44.752 45.100 0.004 0.000 0.898 80 G HN 0.033 nan 8.290 nan 0.000 0.551 81 P HA 0.098 nan 4.420 nan 0.000 0.205 81 P C 1.601 178.923 177.300 0.037 0.000 1.181 81 P CA 1.763 64.876 63.100 0.022 0.000 0.933 81 P CB -0.423 31.287 31.700 0.017 0.000 0.775 82 G N 0.384 109.213 108.800 0.047 0.000 2.687 82 G HA2 0.242 4.202 3.960 0.000 0.000 0.288 82 G HA3 0.242 4.202 3.960 0.000 0.000 0.288 82 G C -0.549 174.406 174.900 0.091 0.000 0.713 82 G CA 0.211 45.350 45.100 0.065 0.000 2.023 82 G HN 0.199 nan 8.290 nan 0.000 0.529 83 L N 4.000 125.268 121.223 0.074 0.000 2.457 83 L HA 0.310 4.650 4.340 0.000 0.000 0.259 83 L C -0.045 176.861 176.870 0.059 0.000 1.377 83 L CA -0.444 54.442 54.840 0.077 0.000 0.887 83 L CB 1.442 43.541 42.059 0.066 0.000 1.085 83 L HN 0.164 nan 8.230 nan 0.000 0.509 84 V N 0.387 120.341 119.914 0.067 0.000 3.185 84 V HA 0.152 4.272 4.120 0.000 0.000 0.305 84 V C 0.638 176.762 176.094 0.050 0.000 1.090 84 V CA -0.558 61.776 62.300 0.058 0.000 1.107 84 V CB 0.946 32.810 31.823 0.069 0.000 1.061 84 V HN 0.602 nan 8.190 nan 0.000 0.480 85 D N 1.866 122.293 120.400 0.046 0.000 2.342 85 D HA 0.162 4.802 4.640 0.000 0.000 0.260 85 D C 1.176 177.507 176.300 0.051 0.000 1.278 85 D CA 0.435 54.459 54.000 0.040 0.000 0.910 85 D CB 1.438 42.262 40.800 0.040 0.000 1.079 85 D HN 0.696 nan 8.370 nan 0.000 0.496 86 A N 4.422 127.264 122.820 0.036 0.000 2.117 86 A HA -0.268 4.052 4.320 0.000 0.000 0.224 86 A C 2.191 179.824 177.584 0.081 0.000 1.167 86 A CA 2.187 54.246 52.037 0.037 0.000 0.664 86 A CB -0.471 18.517 19.000 -0.021 0.000 0.811 86 A HN 0.721 nan 8.150 nan 0.000 0.470 87 A N -0.925 121.951 122.820 0.092 0.000 1.917 87 A HA -0.238 4.082 4.320 0.000 0.000 0.219 87 A C 2.048 179.719 177.584 0.145 0.000 1.182 87 A CA 1.916 54.036 52.037 0.138 0.000 0.633 87 A CB -0.394 18.677 19.000 0.118 0.000 0.819 87 A HN 0.749 nan 8.150 nan 0.000 0.448 88 Q N -1.121 118.746 119.800 0.113 0.000 2.316 88 Q HA 0.523 4.863 4.340 0.000 0.000 0.235 88 Q C 0.761 176.828 176.000 0.113 0.000 0.863 88 Q CA 0.148 56.017 55.803 0.111 0.000 0.939 88 Q CB -0.024 28.764 28.738 0.085 0.000 1.108 88 Q HN 0.526 nan 8.270 nan 0.000 0.522 89 A N 2.229 125.113 122.820 0.107 0.000 2.616 89 A HA -0.132 4.188 4.320 0.000 0.000 0.242 89 A C 0.015 177.686 177.584 0.146 0.000 0.987 89 A CA 0.615 52.723 52.037 0.117 0.000 0.800 89 A CB -0.010 19.058 19.000 0.114 0.000 0.883 89 A HN 0.303 nan 8.150 nan 0.000 0.496 90 R N 2.937 123.523 120.500 0.143 0.000 2.536 90 R HA 0.336 4.676 4.340 0.000 0.000 0.279 90 R C -1.661 174.764 176.300 0.209 0.000 1.001 90 R CA -1.944 54.248 56.100 0.154 0.000 1.027 90 R CB 0.769 31.130 30.300 0.102 0.000 1.096 90 R HN 0.444 nan 8.270 nan 0.000 0.502 91 P HA -0.242 nan 4.420 nan 0.000 0.221 91 P C 0.356 177.848 177.300 0.320 0.000 1.160 91 P CA 1.668 64.969 63.100 0.334 0.000 0.933 91 P CB 0.119 32.018 31.700 0.331 0.000 0.793 92 S N -0.528 115.285 115.700 0.188 0.000 3.149 92 S HA 0.117 4.587 4.470 0.000 0.000 0.228 92 S C -0.108 174.555 174.600 0.104 0.000 1.393 92 S CA -0.272 57.992 58.200 0.107 0.000 1.224 92 S CB -1.190 62.046 63.200 0.060 0.000 1.112 92 S HN -0.050 nan 8.310 nan 0.000 0.502 93 D N 1.044 121.540 120.400 0.161 0.000 2.497 93 D HA 0.481 5.121 4.640 0.000 0.000 0.243 93 D C -0.827 175.591 176.300 0.198 0.000 1.039 93 D CA -0.586 53.506 54.000 0.153 0.000 1.052 93 D CB 1.098 41.987 40.800 0.149 0.000 1.344 93 D HN 0.163 nan 8.370 nan 0.000 0.553 94 N N -0.335 118.476 118.700 0.184 0.000 2.372 94 N HA 0.574 5.314 4.740 0.000 0.000 0.285 94 N C -0.905 174.690 175.510 0.142 0.000 1.008 94 N CA -0.406 52.776 53.050 0.220 0.000 0.880 94 N CB 1.215 39.872 38.487 0.285 0.000 1.239 94 N HN 0.487 nan 8.380 nan 0.000 0.484 95 C N -1.080 118.277 119.300 0.095 0.000 3.239 95 C HA 0.579 5.039 4.460 0.000 0.000 0.329 95 C C -0.612 174.351 174.990 -0.045 0.000 1.252 95 C CA -0.949 58.086 59.018 0.028 0.000 1.323 95 C CB 0.535 28.291 27.740 0.026 0.000 1.663 95 C HN 0.372 nan 8.230 nan 0.000 0.487 96 V N 3.289 123.181 119.914 -0.037 0.000 2.356 96 V HA 0.176 4.296 4.120 0.000 0.000 0.258 96 V C 0.894 176.947 176.094 -0.068 0.000 1.065 96 V CA 0.223 62.502 62.300 -0.036 0.000 0.935 96 V CB 0.138 31.959 31.823 -0.003 0.000 1.061 96 V HN 0.877 nan 8.190 nan 0.000 0.484 97 F N 4.119 123.871 119.950 -0.330 0.000 2.171 97 F HA -0.046 4.481 4.527 0.000 0.000 0.300 97 F C 1.234 176.962 175.800 -0.120 0.000 1.090 97 F CA 1.049 58.786 58.000 -0.438 0.000 1.293 97 F CB 0.355 38.867 39.000 -0.812 0.000 1.013 97 F HN 0.593 nan 8.300 nan 0.000 0.486 98 S N -1.429 114.228 115.700 -0.071 0.000 2.558 98 S HA 0.590 5.060 4.470 0.000 0.000 0.277 98 S C -1.464 173.168 174.600 0.052 0.000 1.143 98 S CA -0.985 57.168 58.200 -0.079 0.000 0.865 98 S CB 1.547 64.706 63.200 -0.068 0.000 1.102 98 S HN -0.074 nan 8.310 nan 0.000 0.454 99 V N 1.826 121.752 119.914 0.021 0.000 2.409 99 V HA 0.647 4.767 4.120 0.000 0.000 0.290 99 V C -0.170 175.942 176.094 0.030 0.000 1.017 99 V CA -0.224 62.100 62.300 0.041 0.000 0.841 99 V CB 1.214 33.044 31.823 0.012 0.000 1.003 99 V HN 0.976 nan 8.190 nan 0.000 0.426 100 E N 2.500 122.743 120.200 0.071 0.000 2.404 100 E HA 0.585 4.936 4.350 0.000 0.000 0.264 100 E C -1.449 175.199 176.600 0.078 0.000 0.946 100 E CA -1.173 55.271 56.400 0.073 0.000 0.806 100 E CB 2.454 32.221 29.700 0.110 0.000 1.334 100 E HN 0.512 nan 8.360 nan 0.000 0.429 101 L N 2.562 123.838 121.223 0.088 0.000 2.313 101 L HA 0.192 4.532 4.340 0.000 0.000 0.282 101 L C -0.481 176.445 176.870 0.094 0.000 1.092 101 L CA 0.025 54.906 54.840 0.069 0.000 0.831 101 L CB 0.814 42.911 42.059 0.065 0.000 1.159 101 L HN 0.350 nan 8.230 nan 0.000 0.442 102 Q N 4.773 124.618 119.800 0.075 0.000 2.323 102 Q HA 0.320 4.660 4.340 0.000 0.000 0.257 102 Q C -1.073 174.969 176.000 0.070 0.000 1.022 102 Q CA 0.197 56.058 55.803 0.097 0.000 0.919 102 Q CB 0.326 29.118 28.738 0.090 0.000 1.220 102 Q HN 0.778 nan 8.270 nan 0.000 0.427 103 L N 7.607 128.892 121.223 0.103 0.000 2.513 103 L HA 0.202 4.542 4.340 0.000 0.000 0.272 103 L C -1.582 175.327 176.870 0.065 0.000 1.187 103 L CA -1.377 53.511 54.840 0.081 0.000 0.895 103 L CB 0.137 42.308 42.059 0.187 0.000 1.147 103 L HN 0.671 nan 8.230 nan 0.000 0.483 104 P HA 0.075 nan 4.420 nan 0.000 0.269 104 P C -2.521 174.822 177.300 0.072 0.000 1.209 104 P CA -1.136 61.951 63.100 -0.021 0.000 0.776 104 P CB -0.164 31.437 31.700 -0.164 0.000 0.876 105 P HA 0.030 nan 4.420 nan 0.000 0.266 105 P C 0.979 178.319 177.300 0.066 0.000 1.215 105 P CA 0.035 63.173 63.100 0.063 0.000 0.763 105 P CB 0.861 32.582 31.700 0.034 0.000 0.806 106 K N 3.820 124.249 120.400 0.047 0.000 2.034 106 K HA -0.267 4.053 4.320 0.000 0.000 0.214 106 K C 1.952 178.498 176.600 -0.090 0.000 1.051 106 K CA 2.119 58.337 56.287 -0.115 0.000 0.931 106 K CB -0.666 31.602 32.500 -0.387 0.000 0.715 106 K HN 0.467 nan 8.250 nan 0.000 0.446 107 A N 0.879 123.662 122.820 -0.062 0.000 1.881 107 A HA -0.272 4.048 4.320 0.000 0.000 0.219 107 A C 2.359 179.951 177.584 0.014 0.000 1.215 107 A CA 2.740 54.760 52.037 -0.028 0.000 0.648 107 A CB -1.180 17.810 19.000 -0.017 0.000 0.832 107 A HN 0.583 nan 8.150 nan 0.000 0.455 108 A N -0.978 121.858 122.820 0.027 0.000 1.968 108 A HA 0.302 4.622 4.320 0.000 0.000 0.217 108 A C 2.455 180.090 177.584 0.086 0.000 1.169 108 A CA 1.781 53.846 52.037 0.047 0.000 0.638 108 A CB -0.868 18.148 19.000 0.025 0.000 0.812 108 A HN 1.125 nan 8.150 nan 0.000 0.446 109 A N 0.091 122.967 122.820 0.094 0.000 1.877 109 A HA -0.041 4.279 4.320 0.000 0.000 0.216 109 A C 2.118 179.842 177.584 0.232 0.000 1.186 109 A CA 1.518 53.650 52.037 0.157 0.000 0.620 109 A CB -0.581 18.575 19.000 0.261 0.000 0.822 109 A HN 0.464 nan 8.150 nan 0.000 0.443 110 L N -0.949 120.388 121.223 0.190 0.000 2.156 110 L HA -0.092 4.248 4.340 0.000 0.000 0.208 110 L C 3.067 180.000 176.870 0.106 0.000 1.095 110 L CA 0.740 55.681 54.840 0.167 0.000 0.770 110 L CB -0.656 41.456 42.059 0.088 0.000 0.914 110 L HN 0.432 nan 8.230 nan 0.000 0.439 111 A N 0.194 123.068 122.820 0.090 0.000 1.873 111 A HA -0.323 3.997 4.320 0.000 0.000 0.218 111 A C 2.163 179.803 177.584 0.093 0.000 1.193 111 A CA 2.388 54.470 52.037 0.076 0.000 0.629 111 A CB -0.833 18.208 19.000 0.069 0.000 0.826 111 A HN 0.546 nan 8.150 nan 0.000 0.447 112 H N -1.051 118.043 119.070 0.041 0.000 2.268 112 H HA -0.000 4.556 4.556 0.000 0.000 0.304 112 H C 1.801 177.161 175.328 0.054 0.000 1.064 112 H CA 1.520 57.588 56.048 0.034 0.000 1.316 112 H CB -0.605 29.166 29.762 0.015 0.000 1.386 112 H HN 0.215 nan 8.280 nan 0.000 0.496 113 L N 1.024 122.149 121.223 -0.163 0.000 2.054 113 L HA -0.260 4.080 4.340 0.000 0.000 0.220 113 L C 0.921 177.722 176.870 -0.115 0.000 1.081 113 L CA 2.728 57.488 54.840 -0.132 0.000 0.780 113 L CB -0.615 41.542 42.059 0.163 0.000 0.893 113 L HN 0.819 nan 8.230 nan 0.000 0.438 114 D N -4.211 116.166 120.400 -0.039 0.000 2.501 114 D HA 0.138 4.778 4.640 0.000 0.000 0.224 114 D C 1.536 177.823 176.300 -0.022 0.000 1.202 114 D CA -0.166 53.827 54.000 -0.012 0.000 0.829 114 D CB 0.319 41.148 40.800 0.048 0.000 1.023 114 D HN 0.235 nan 8.370 nan 0.000 0.499 115 R N -0.930 119.538 120.500 -0.053 0.000 3.275 115 R HA 0.461 4.801 4.340 0.000 0.000 0.154 115 R C 1.153 177.433 176.300 -0.032 0.000 0.843 115 R CA 0.626 56.712 56.100 -0.024 0.000 1.027 115 R CB 0.893 31.196 30.300 0.005 0.000 1.423 115 R HN 0.184 nan 8.270 nan 0.000 0.530 116 G N 0.158 108.935 108.800 -0.038 0.000 3.509 116 G HA2 -0.129 3.831 3.960 0.000 0.000 0.220 116 G HA3 -0.129 3.831 3.960 0.000 0.000 0.220 116 G C -0.016 174.956 174.900 0.120 0.000 0.951 116 G CA -0.335 44.772 45.100 0.010 0.000 0.844 116 G HN 0.190 nan 8.290 nan 0.000 0.568 117 S N 2.898 118.668 115.700 0.116 0.000 2.549 117 S HA 0.341 4.811 4.470 0.000 0.000 0.278 117 S C -1.921 172.825 174.600 0.244 0.000 1.344 117 S CA 0.223 58.508 58.200 0.140 0.000 1.025 117 S CB 0.741 64.005 63.200 0.107 0.000 0.851 117 S HN 0.386 nan 8.310 nan 0.000 0.530 118 P HA 0.178 nan 4.420 nan 0.000 0.271 118 P C -2.541 174.666 177.300 -0.155 0.000 1.220 118 P CA -1.412 61.678 63.100 -0.017 0.000 0.768 118 P CB -0.333 31.353 31.700 -0.022 0.000 0.848 119 P HA 0.083 nan 4.420 nan 0.000 0.266 119 P C -2.124 175.044 177.300 -0.220 0.000 1.193 119 P CA -0.819 61.944 63.100 -0.562 0.000 0.770 119 P CB -0.833 30.418 31.700 -0.749 0.000 0.836 120 P HA 0.130 nan 4.420 nan 0.000 0.276 120 P C -0.475 176.780 177.300 -0.076 0.000 1.252 120 P CA -0.436 62.617 63.100 -0.079 0.000 0.802 120 P CB 0.389 32.059 31.700 -0.050 0.000 1.035 121 A N 2.013 124.817 122.820 -0.027 0.000 2.524 121 A HA -0.033 4.287 4.320 0.000 0.000 0.271 121 A C 0.739 178.313 177.584 -0.017 0.000 1.097 121 A CA 0.112 52.154 52.037 0.007 0.000 0.791 121 A CB -0.849 18.209 19.000 0.097 0.000 1.028 121 A HN 0.441 nan 8.150 nan 0.000 0.518 122 R N 2.711 123.178 120.500 -0.054 0.000 2.446 122 R HA 0.151 4.491 4.340 0.000 0.000 0.325 122 R C -0.028 176.232 176.300 -0.067 0.000 0.997 122 R CA 0.966 57.019 56.100 -0.077 0.000 1.010 122 R CB -0.299 29.945 30.300 -0.093 0.000 0.946 122 R HN 0.820 nan 8.270 nan 0.000 0.422 123 E N 1.719 121.891 120.200 -0.047 0.000 2.334 123 E HA 0.773 5.123 4.350 0.000 0.000 0.256 123 E C -1.185 175.399 176.600 -0.027 0.000 0.958 123 E CA -1.353 55.023 56.400 -0.039 0.000 0.821 123 E CB 1.827 31.540 29.700 0.023 0.000 1.269 123 E HN 0.615 nan 8.360 nan 0.000 0.413 124 A N 1.190 124.000 122.820 -0.015 0.000 2.459 124 A HA 0.459 4.779 4.320 0.000 0.000 0.296 124 A C -1.840 175.780 177.584 0.060 0.000 1.039 124 A CA -0.614 51.433 52.037 0.017 0.000 0.698 124 A CB 0.970 19.963 19.000 -0.012 0.000 1.261 124 A HN 0.356 nan 8.150 nan 0.000 0.405 125 L N 2.760 124.046 121.223 0.106 0.000 2.255 125 L HA 0.748 5.088 4.340 0.000 0.000 0.289 125 L C 0.305 177.276 176.870 0.168 0.000 1.046 125 L CA -0.044 54.887 54.840 0.152 0.000 0.816 125 L CB 0.753 42.929 42.059 0.195 0.000 1.197 125 L HN 0.924 nan 8.230 nan 0.000 0.427 126 A N 6.513 129.428 122.820 0.158 0.000 2.301 126 A HA 0.725 5.045 4.320 0.000 0.000 0.312 126 A C -0.463 177.242 177.584 0.201 0.000 1.182 126 A CA -0.507 51.625 52.037 0.157 0.000 0.826 126 A CB 0.325 19.399 19.000 0.124 0.000 1.134 126 A HN 0.704 nan 8.150 nan 0.000 0.501 127 I N 2.783 123.499 120.570 0.242 0.000 2.354 127 I HA 0.406 4.576 4.170 0.000 0.000 0.292 127 I C -0.763 175.501 176.117 0.244 0.000 0.989 127 I CA -0.694 60.799 61.300 0.322 0.000 1.188 127 I CB 1.746 40.061 38.000 0.525 0.000 1.342 127 I HN 0.278 nan 8.210 nan 0.000 0.457 128 V N 6.611 126.609 119.914 0.140 0.000 2.604 128 V HA 0.409 4.529 4.120 0.000 0.000 0.305 128 V C -0.358 175.782 176.094 0.076 0.000 1.043 128 V CA -0.582 61.688 62.300 -0.051 0.000 0.888 128 V CB 2.026 33.580 31.823 -0.449 0.000 0.995 128 V HN 0.441 nan 8.190 nan 0.000 0.429 129 F N 4.116 123.991 119.950 -0.126 0.000 2.390 129 F HA 0.466 4.993 4.527 0.000 0.000 0.361 129 F C -0.046 175.783 175.800 0.048 0.000 1.124 129 F CA -0.480 57.571 58.000 0.085 0.000 1.149 129 F CB 0.720 39.823 39.000 0.171 0.000 1.160 129 F HN 0.388 nan 8.300 nan 0.000 0.501 130 F N 2.053 122.228 119.950 0.374 0.000 2.335 130 F HA 0.283 4.810 4.527 0.000 0.000 0.365 130 F C 1.042 176.748 175.800 -0.156 0.000 1.122 130 F CA -0.327 57.745 58.000 0.119 0.000 1.151 130 F CB 1.252 40.291 39.000 0.065 0.000 1.282 130 F HN 0.625 nan 8.300 nan 0.000 0.513 131 G N 2.548 111.369 108.800 0.035 0.000 2.747 131 G HA2 -0.018 3.942 3.960 0.000 0.000 0.202 131 G HA3 -0.018 3.942 3.960 0.000 0.000 0.202 131 G C 0.832 175.676 174.900 -0.094 0.000 1.090 131 G CA -0.336 44.596 45.100 -0.280 0.000 0.779 131 G HN 0.420 nan 8.290 nan 0.000 0.535 132 R N 1.649 122.169 120.500 0.034 0.000 4.154 132 R HA 0.215 4.555 4.340 0.000 0.000 0.186 132 R C -0.391 175.910 176.300 0.002 0.000 1.750 132 R CA 0.141 56.258 56.100 0.030 0.000 1.431 132 R CB -0.715 29.624 30.300 0.065 0.000 1.383 132 R HN 0.588 nan 8.270 nan 0.000 0.788 133 Q N 0.105 119.883 119.800 -0.037 0.000 2.647 133 Q HA 0.260 4.600 4.340 0.000 0.000 0.283 133 Q C -2.566 173.399 176.000 -0.059 0.000 0.943 133 Q CA -1.430 54.342 55.803 -0.052 0.000 0.813 133 Q CB 1.530 30.222 28.738 -0.078 0.000 1.477 133 Q HN -0.016 nan 8.270 nan 0.000 0.393 134 P HA -0.190 nan 4.420 nan 0.000 0.215 134 P C -0.275 176.999 177.300 -0.043 0.000 1.157 134 P CA 1.412 64.488 63.100 -0.040 0.000 0.868 134 P CB 0.240 31.920 31.700 -0.033 0.000 0.788 135 Q N 1.051 120.823 119.800 -0.047 0.000 2.509 135 Q HA 0.309 4.649 4.340 0.000 0.000 0.236 135 Q C -2.252 173.718 176.000 -0.049 0.000 1.073 135 Q CA -1.901 53.879 55.803 -0.037 0.000 0.867 135 Q CB 1.295 30.018 28.738 -0.025 0.000 1.181 135 Q HN 0.372 nan 8.270 nan 0.000 0.526 136 P HA 0.066 nan 4.420 nan 0.000 0.282 136 P C -0.731 176.546 177.300 -0.038 0.000 1.274 136 P CA -0.163 62.826 63.100 -0.184 0.000 0.770 136 P CB 0.579 31.988 31.700 -0.485 0.000 0.867 137 N N 2.050 120.810 118.700 0.100 0.000 2.380 137 N HA 0.509 5.249 4.740 0.000 0.000 0.290 137 N C -1.464 174.240 175.510 0.323 0.000 1.236 137 N CA -1.138 52.036 53.050 0.206 0.000 0.780 137 N CB 1.850 40.433 38.487 0.159 0.000 1.438 137 N HN 0.135 nan 8.380 nan 0.000 0.491 138 V N -0.215 119.812 119.914 0.189 0.000 2.495 138 V HA 0.800 4.920 4.120 0.000 0.000 0.298 138 V C -1.075 175.059 176.094 0.066 0.000 1.031 138 V CA -0.122 62.249 62.300 0.118 0.000 0.871 138 V CB 1.006 32.771 31.823 -0.097 0.000 0.988 138 V HN 0.849 nan 8.190 nan 0.000 0.432 139 S N 4.447 120.217 115.700 0.118 0.000 2.568 139 S HA 0.609 5.079 4.470 0.000 0.000 0.293 139 S C -0.940 173.755 174.600 0.159 0.000 1.089 139 S CA -0.754 57.529 58.200 0.138 0.000 0.945 139 S CB 1.854 65.224 63.200 0.284 0.000 1.077 139 S HN 0.887 nan 8.310 nan 0.000 0.485 140 E N 1.517 121.819 120.200 0.169 0.000 2.134 140 E HA 0.455 4.805 4.350 0.000 0.000 0.278 140 E C -1.203 175.517 176.600 0.200 0.000 0.959 140 E CA -0.314 56.215 56.400 0.215 0.000 0.783 140 E CB 0.958 30.804 29.700 0.242 0.000 1.095 140 E HN 0.370 nan 8.360 nan 0.000 0.399 141 L N 3.149 124.490 121.223 0.197 0.000 2.333 141 L HA 0.456 4.796 4.340 0.000 0.000 0.280 141 L C -0.599 176.374 176.870 0.172 0.000 1.004 141 L CA -1.220 53.733 54.840 0.189 0.000 0.820 141 L CB 1.642 43.818 42.059 0.196 0.000 1.247 141 L HN 0.246 nan 8.230 nan 0.000 0.416 142 V N 4.285 124.301 119.914 0.170 0.000 2.368 142 V HA 0.281 4.401 4.120 0.000 0.000 0.266 142 V C 0.490 176.646 176.094 0.103 0.000 1.045 142 V CA -0.444 61.944 62.300 0.146 0.000 0.899 142 V CB 1.401 33.329 31.823 0.175 0.000 1.006 142 V HN 0.459 nan 8.190 nan 0.000 0.470 143 V N 3.879 123.797 119.914 0.006 0.000 3.234 143 V HA 1.023 5.143 4.120 0.000 0.000 0.317 143 V C 0.761 176.611 176.094 -0.408 0.000 1.081 143 V CA 0.362 62.566 62.300 -0.160 0.000 1.037 143 V CB 1.651 33.428 31.823 -0.077 0.000 1.148 143 V HN 1.152 nan 8.190 nan 0.000 0.453 144 G N 1.291 109.633 108.800 -0.763 0.000 2.336 144 G HA2 0.365 4.325 3.960 0.000 0.000 0.300 144 G HA3 0.365 4.325 3.960 0.000 0.000 0.300 144 G C -3.474 170.847 174.900 -0.966 0.000 1.375 144 G CA -0.615 44.008 45.100 -0.795 0.000 0.885 144 G HN 0.534 nan 8.290 nan 0.000 0.599 145 P HA 0.531 nan 4.420 nan 0.000 0.300 145 P C -0.088 177.119 177.300 -0.155 0.000 1.375 145 P CA -0.472 62.519 63.100 -0.182 0.000 0.864 145 P CB 1.419 33.134 31.700 0.024 0.000 0.958 146 L N 6.301 127.425 121.223 -0.165 0.000 2.503 146 L HA 0.009 4.349 4.340 0.000 0.000 0.287 146 L C -0.833 175.970 176.870 -0.112 0.000 1.252 146 L CA -0.397 54.352 54.840 -0.152 0.000 0.835 146 L CB -0.695 41.279 42.059 -0.142 0.000 1.099 146 L HN 0.316 nan 8.230 nan 0.000 0.516 147 P HA -0.006 nan 4.420 nan 0.000 0.241 147 P C -0.636 176.432 177.300 -0.386 0.000 1.191 147 P CA 0.840 63.777 63.100 -0.271 0.000 0.771 147 P CB 0.238 31.743 31.700 -0.325 0.000 0.929 148 H N -0.773 118.235 119.070 -0.103 0.000 2.632 148 H HA 0.302 4.858 4.556 0.000 0.000 0.258 148 H C -2.277 172.938 175.328 -0.189 0.000 1.278 148 H CA -2.166 53.818 56.048 -0.107 0.000 1.352 148 H CB -0.132 29.591 29.762 -0.065 0.000 1.418 148 H HN 0.009 nan 8.280 nan 0.000 0.513 149 P HA -0.112 nan 4.420 nan 0.000 0.266 149 P C 0.528 177.458 177.300 -0.616 0.000 1.180 149 P CA 0.475 63.234 63.100 -0.567 0.000 0.765 149 P CB 1.117 32.320 31.700 -0.828 0.000 0.806 150 S N 1.135 116.441 115.700 -0.656 0.000 2.918 150 S HA 0.148 4.618 4.470 0.000 0.000 0.264 150 S C -0.156 174.385 174.600 -0.100 0.000 1.078 150 S CA -0.197 57.843 58.200 -0.267 0.000 0.918 150 S CB -0.111 63.090 63.200 0.000 0.000 0.882 150 S HN 0.464 nan 8.310 nan 0.000 0.466 151 Y N 0.503 120.709 120.300 -0.156 0.000 2.753 151 Y HA 0.868 5.418 4.550 0.000 0.000 0.324 151 Y C -0.539 175.415 175.900 0.090 0.000 1.147 151 Y CA -1.480 56.640 58.100 0.032 0.000 1.173 151 Y CB 1.020 39.496 38.460 0.027 0.000 1.361 151 Y HN 0.175 nan 8.280 nan 0.000 0.545 152 M N 1.938 121.772 119.600 0.389 0.000 2.373 152 M HA 0.429 4.909 4.480 0.000 0.000 0.290 152 M C -2.265 174.211 176.300 0.293 0.000 1.143 152 M CA -0.454 55.030 55.300 0.306 0.000 0.949 152 M CB 2.377 35.179 32.600 0.337 0.000 1.756 152 M HN 1.006 nan 8.290 nan 0.000 0.494 153 R N 2.630 123.284 120.500 0.255 0.000 2.621 153 R HA 0.353 4.693 4.340 0.000 0.000 0.284 153 R C -1.803 174.603 176.300 0.177 0.000 0.998 153 R CA -0.468 55.751 56.100 0.198 0.000 0.895 153 R CB 1.850 32.255 30.300 0.176 0.000 1.195 153 R HN 0.861 nan 8.270 nan 0.000 0.450 154 D N 3.336 123.831 120.400 0.158 0.000 2.352 154 D HA 0.061 4.701 4.640 0.000 0.000 0.245 154 D C 1.154 177.535 176.300 0.135 0.000 1.224 154 D CA -0.169 53.927 54.000 0.159 0.000 0.879 154 D CB 1.299 42.191 40.800 0.154 0.000 1.057 154 D HN 0.354 nan 8.370 nan 0.000 0.491 155 V N 1.094 121.094 119.914 0.144 0.000 3.649 155 V HA 0.030 4.150 4.120 0.000 0.000 0.275 155 V C 1.716 177.890 176.094 0.133 0.000 1.281 155 V CA 0.439 62.815 62.300 0.126 0.000 1.143 155 V CB -0.422 31.479 31.823 0.130 0.000 0.892 155 V HN 0.444 nan 8.190 nan 0.000 0.441 156 T N 2.694 117.332 114.554 0.141 0.000 2.624 156 T HA -0.237 4.113 4.350 0.000 0.000 0.268 156 T C 1.962 176.736 174.700 0.124 0.000 1.041 156 T CA 2.653 64.835 62.100 0.136 0.000 1.159 156 T CB -0.565 68.356 68.868 0.088 0.000 0.863 156 T HN 0.716 nan 8.240 nan 0.000 0.434 157 V N 0.417 120.386 119.914 0.092 0.000 2.323 157 V HA -0.067 4.053 4.120 0.000 0.000 0.244 157 V C 2.309 178.444 176.094 0.069 0.000 1.041 157 V CA 1.793 64.138 62.300 0.074 0.000 1.025 157 V CB -0.992 30.866 31.823 0.058 0.000 0.656 157 V HN 0.448 nan 8.190 nan 0.000 0.451 158 E N 1.075 121.315 120.200 0.067 0.000 2.019 158 E HA -0.341 4.009 4.350 0.000 0.000 0.208 158 E C 2.417 179.042 176.600 0.041 0.000 1.030 158 E CA 2.371 58.803 56.400 0.052 0.000 0.856 158 E CB -0.249 29.486 29.700 0.059 0.000 0.781 158 E HN 0.581 nan 8.360 nan 0.000 0.471 159 R N -0.409 120.119 120.500 0.045 0.000 2.171 159 R HA -0.194 4.146 4.340 0.000 0.000 0.226 159 R C 2.483 178.732 176.300 -0.085 0.000 1.113 159 R CA 2.300 58.387 56.100 -0.022 0.000 0.887 159 R CB -0.514 29.784 30.300 -0.005 0.000 0.830 159 R HN 0.441 nan 8.270 nan 0.000 0.432 160 H N -0.738 118.355 119.070 0.038 0.000 2.547 160 H HA 0.124 4.680 4.556 0.000 0.000 0.272 160 H C 0.365 175.705 175.328 0.020 0.000 0.989 160 H CA 0.834 56.898 56.048 0.026 0.000 1.214 160 H CB 0.108 29.855 29.762 -0.024 0.000 1.389 160 H HN 0.658 nan 8.280 nan 0.000 0.577 161 G N 0.724 109.592 108.800 0.114 0.000 2.684 161 G HA2 0.034 3.994 3.960 0.000 0.000 0.229 161 G HA3 0.034 3.994 3.960 0.000 0.000 0.229 161 G C 0.438 175.379 174.900 0.068 0.000 0.927 161 G CA 0.455 45.599 45.100 0.073 0.000 1.147 161 G HN 0.845 nan 8.290 nan 0.000 0.402 162 G N 2.366 111.200 108.800 0.057 0.000 2.408 162 G HA2 0.472 4.432 3.960 0.000 0.000 0.682 162 G HA3 0.472 4.432 3.960 0.000 0.000 0.682 162 G C -2.797 172.120 174.900 0.029 0.000 1.303 162 G CA 0.007 45.131 45.100 0.040 0.000 0.966 162 G HN 1.213 nan 8.290 nan 0.000 0.560 163 P HA 0.568 nan 4.420 nan 0.000 0.284 163 P C -0.447 176.832 177.300 -0.034 0.000 1.258 163 P CA -0.556 62.549 63.100 0.009 0.000 0.824 163 P CB 1.440 33.155 31.700 0.026 0.000 1.038 164 L N 4.297 125.476 121.223 -0.074 0.000 2.259 164 L HA 0.324 4.664 4.340 0.000 0.000 0.288 164 L C -2.083 174.751 176.870 -0.059 0.000 1.051 164 L CA -2.135 52.603 54.840 -0.171 0.000 0.824 164 L CB 0.750 42.569 42.059 -0.400 0.000 1.206 164 L HN 0.182 nan 8.230 nan 0.000 0.429 165 P HA -0.155 nan 4.420 nan 0.000 0.261 165 P C 0.134 177.513 177.300 0.131 0.000 1.173 165 P CA 0.316 63.503 63.100 0.144 0.000 0.760 165 P CB 0.340 32.218 31.700 0.296 0.000 0.783 166 Y N 4.244 124.570 120.300 0.044 0.000 2.151 166 Y HA -0.285 4.266 4.550 0.000 0.000 0.284 166 Y C 2.370 178.227 175.900 -0.072 0.000 1.166 166 Y CA 2.013 60.086 58.100 -0.045 0.000 1.163 166 Y CB -0.751 37.709 38.460 0.001 0.000 0.974 166 Y HN 0.545 nan 8.280 nan 0.000 0.511 167 H N -0.546 118.486 119.070 -0.064 0.000 2.568 167 H HA -0.021 4.535 4.556 0.000 0.000 0.281 167 H C 1.452 176.685 175.328 -0.158 0.000 1.028 167 H CA 1.143 57.117 56.048 -0.124 0.000 1.199 167 H CB -0.416 29.328 29.762 -0.031 0.000 1.352 167 H HN 0.384 nan 8.280 nan 0.000 0.605 168 R N 1.019 121.147 120.500 -0.620 0.000 2.223 168 R HA 0.071 4.411 4.340 0.000 0.000 0.198 168 R C 0.723 176.792 176.300 -0.386 0.000 0.984 168 R CA -0.060 55.746 56.100 -0.490 0.000 1.018 168 R CB 0.309 30.404 30.300 -0.341 0.000 0.945 168 R HN 0.388 nan 8.270 nan 0.000 0.479 169 R N 2.615 122.762 120.500 -0.589 0.000 2.538 169 R HA 0.093 4.433 4.340 0.000 0.000 0.282 169 R C -2.574 173.321 176.300 -0.676 0.000 1.009 169 R CA -1.407 54.140 56.100 -0.922 0.000 1.063 169 R CB -0.345 28.897 30.300 -1.764 0.000 0.945 169 R HN -0.219 nan 8.270 nan 0.000 0.414 170 P HA -0.081 nan 4.420 nan 0.000 0.268 170 P C -0.516 176.577 177.300 -0.344 0.000 1.208 170 P CA -0.339 62.480 63.100 -0.469 0.000 0.777 170 P CB 0.566 31.975 31.700 -0.485 0.000 0.875 171 V N 1.890 121.629 119.914 -0.291 0.000 2.421 171 V HA 0.091 4.211 4.120 0.000 0.000 0.271 171 V C 0.502 176.331 176.094 -0.442 0.000 1.031 171 V CA -0.302 61.797 62.300 -0.336 0.000 1.032 171 V CB -1.137 30.459 31.823 -0.380 0.000 1.009 171 V HN 0.276 nan 8.190 nan 0.000 0.477 172 L N 4.049 125.149 121.223 -0.205 0.000 2.499 172 L HA 0.191 4.531 4.340 0.000 0.000 0.281 172 L C 1.524 178.357 176.870 -0.061 0.000 1.234 172 L CA 0.140 54.941 54.840 -0.065 0.000 0.839 172 L CB -0.008 42.100 42.059 0.082 0.000 1.104 172 L HN 0.571 nan 8.230 nan 0.000 0.500 173 F N -0.032 120.006 119.950 0.148 0.000 2.236 173 F HA -0.286 4.241 4.527 0.000 0.000 0.302 173 F C 2.429 178.369 175.800 0.234 0.000 1.073 173 F CA 0.695 58.876 58.000 0.301 0.000 1.336 173 F CB -0.002 39.158 39.000 0.265 0.000 1.040 173 F HN 0.664 nan 8.300 nan 0.000 0.507 174 Q N 1.177 121.175 119.800 0.330 0.000 1.994 174 Q HA -0.222 4.118 4.340 0.000 0.000 0.198 174 Q C 1.933 178.081 176.000 0.246 0.000 0.976 174 Q CA 1.908 57.863 55.803 0.253 0.000 0.828 174 Q CB -0.521 28.338 28.738 0.201 0.000 0.894 174 Q HN 0.426 nan 8.270 nan 0.000 0.432 175 E N -1.228 119.083 120.200 0.185 0.000 2.187 175 E HA -0.258 4.092 4.350 0.000 0.000 0.199 175 E C 1.694 178.432 176.600 0.231 0.000 1.004 175 E CA 1.513 58.045 56.400 0.219 0.000 0.813 175 E CB -0.273 29.468 29.700 0.067 0.000 0.736 175 E HN 0.628 nan 8.360 nan 0.000 0.468 176 Y N -0.072 120.380 120.300 0.254 0.000 2.220 176 Y HA -0.162 4.388 4.550 0.000 0.000 0.291 176 Y C 2.292 178.294 175.900 0.170 0.000 1.129 176 Y CA 0.509 58.736 58.100 0.212 0.000 1.161 176 Y CB 0.043 38.680 38.460 0.296 0.000 0.997 176 Y HN 0.063 nan 8.280 nan 0.000 0.522 177 L N -0.198 121.230 121.223 0.341 0.000 1.976 177 L HA -0.274 4.066 4.340 0.000 0.000 0.209 177 L C 1.983 178.985 176.870 0.219 0.000 1.071 177 L CA 1.287 56.260 54.840 0.221 0.000 0.746 177 L CB -0.611 41.554 42.059 0.178 0.000 0.890 177 L HN 0.219 nan 8.230 nan 0.000 0.432 178 D N 0.153 120.712 120.400 0.265 0.000 2.203 178 D HA -0.219 4.421 4.640 0.000 0.000 0.199 178 D C 2.162 178.705 176.300 0.405 0.000 0.997 178 D CA 1.399 55.576 54.000 0.294 0.000 0.863 178 D CB -0.062 40.963 40.800 0.374 0.000 0.928 178 D HN 0.361 nan 8.370 nan 0.000 0.458 179 I N 0.693 121.499 120.570 0.393 0.000 2.193 179 I HA -0.210 3.960 4.170 0.000 0.000 0.240 179 I C 1.871 178.068 176.117 0.132 0.000 1.084 179 I CA 0.835 62.272 61.300 0.229 0.000 1.365 179 I CB -0.101 37.845 38.000 -0.089 0.000 1.064 179 I HN -0.165 nan 8.210 nan 0.000 0.410 180 D N 0.720 121.213 120.400 0.156 0.000 2.158 180 D HA -0.224 4.416 4.640 0.000 0.000 0.197 180 D C 2.216 178.732 176.300 0.361 0.000 0.995 180 D CA 1.261 55.441 54.000 0.299 0.000 0.846 180 D CB -0.232 40.690 40.800 0.204 0.000 0.941 180 D HN 0.418 nan 8.370 nan 0.000 0.456 181 Q N -0.273 119.651 119.800 0.207 0.000 2.020 181 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 181 Q C 2.277 178.368 176.000 0.151 0.000 0.982 181 Q CA 1.065 56.963 55.803 0.159 0.000 0.838 181 Q CB -0.205 28.595 28.738 0.103 0.000 0.899 181 Q HN 0.310 nan 8.270 nan 0.000 0.423 182 M N 0.437 120.122 119.600 0.141 0.000 2.149 182 M HA -0.205 4.275 4.480 0.000 0.000 0.261 182 M C 1.776 178.098 176.300 0.037 0.000 1.064 182 M CA 1.477 56.840 55.300 0.105 0.000 1.102 182 M CB 0.014 32.726 32.600 0.187 0.000 1.369 182 M HN 0.213 nan 8.290 nan 0.000 0.408 183 I N -0.544 120.028 120.570 0.005 0.000 2.130 183 I HA -0.252 3.918 4.170 0.000 0.000 0.234 183 I C 2.025 177.991 176.117 -0.251 0.000 1.067 183 I CA 1.316 62.497 61.300 -0.197 0.000 1.339 183 I CB -0.703 37.056 38.000 -0.402 0.000 1.073 183 I HN 0.165 nan 8.210 nan 0.000 0.405 184 F N 1.253 121.175 119.950 -0.047 0.000 2.113 184 F HA -0.142 4.385 4.527 0.000 0.000 0.297 184 F C 1.667 177.448 175.800 -0.032 0.000 1.103 184 F CA 1.341 59.322 58.000 -0.031 0.000 1.248 184 F CB -0.850 38.146 39.000 -0.007 0.000 0.999 184 F HN 0.116 nan 8.300 nan 0.000 0.475 185 N N -0.367 118.437 118.700 0.174 0.000 2.389 185 N HA 0.217 4.957 4.740 0.000 0.000 0.237 185 N C 0.894 176.424 175.510 0.035 0.000 1.148 185 N CA -0.017 53.083 53.050 0.083 0.000 0.854 185 N CB 0.299 38.833 38.487 0.079 0.000 1.115 185 N HN 0.232 nan 8.380 nan 0.000 0.492 186 R N -1.205 119.298 120.500 0.006 0.000 2.357 186 R HA 0.052 4.392 4.340 0.000 0.000 0.094 186 R C 0.650 176.927 176.300 -0.038 0.000 0.858 186 R CA 0.141 56.236 56.100 -0.008 0.000 2.620 186 R CB 0.404 30.709 30.300 0.007 0.000 1.431 186 R HN 0.045 nan 8.270 nan 0.000 0.514 187 E N 0.883 121.037 120.200 -0.077 0.000 2.182 187 E HA 0.139 4.489 4.350 0.000 0.000 0.195 187 E C 1.887 178.380 176.600 -0.177 0.000 0.933 187 E CA 0.187 56.517 56.400 -0.117 0.000 0.940 187 E CB 0.025 29.643 29.700 -0.136 0.000 0.945 187 E HN 0.084 nan 8.360 nan 0.000 0.477 188 L N 2.347 123.412 121.223 -0.263 0.000 2.103 188 L HA -0.179 4.161 4.340 0.000 0.000 0.215 188 L C -0.364 176.324 176.870 -0.302 0.000 1.080 188 L CA 1.803 56.419 54.840 -0.374 0.000 0.764 188 L CB -1.714 40.056 42.059 -0.482 0.000 0.890 188 L HN 0.167 nan 8.230 nan 0.000 0.435 189 P HA -0.189 nan 4.420 nan 0.000 0.218 189 P C 1.177 178.471 177.300 -0.010 0.000 1.149 189 P CA 1.220 64.274 63.100 -0.076 0.000 0.817 189 P CB -0.066 31.570 31.700 -0.107 0.000 0.785 190 Q N -0.477 119.287 119.800 -0.059 0.000 2.561 190 Q HA 0.026 4.366 4.340 0.000 0.000 0.217 190 Q C 1.163 177.122 176.000 -0.069 0.000 0.980 190 Q CA 0.927 56.704 55.803 -0.043 0.000 0.927 190 Q CB -0.300 28.402 28.738 -0.060 0.000 0.980 190 Q HN 0.228 nan 8.270 nan 0.000 0.525 191 A N -0.485 122.264 122.820 -0.120 0.000 2.585 191 A HA 0.171 4.491 4.320 0.000 0.000 0.281 191 A C 1.257 178.759 177.584 -0.136 0.000 0.945 191 A CA -0.051 51.876 52.037 -0.183 0.000 1.031 191 A CB 0.240 19.039 19.000 -0.335 0.000 1.221 191 A HN 0.156 nan 8.150 nan 0.000 0.496 192 S N 0.237 115.989 115.700 0.086 0.000 2.374 192 S HA -0.135 4.335 4.470 0.000 0.000 0.227 192 S C 2.016 176.812 174.600 0.327 0.000 1.037 192 S CA 2.674 61.118 58.200 0.407 0.000 1.024 192 S CB -0.435 63.173 63.200 0.679 0.000 0.861 192 S HN 0.860 nan 8.310 nan 0.000 0.456 193 G N 2.004 110.931 108.800 0.212 0.000 2.511 193 G HA2 -0.169 3.791 3.960 0.000 0.000 0.216 193 G HA3 -0.169 3.791 3.960 0.000 0.000 0.216 193 G C 1.385 176.318 174.900 0.055 0.000 1.218 193 G CA 1.110 46.363 45.100 0.254 0.000 0.788 193 G HN 0.543 nan 8.290 nan 0.000 0.560 194 L N 0.858 121.833 121.223 -0.413 0.000 1.997 194 L HA -0.122 4.218 4.340 0.000 0.000 0.216 194 L C 2.764 179.242 176.870 -0.655 0.000 1.074 194 L CA 1.719 55.781 54.840 -1.297 0.000 0.763 194 L CB -0.763 40.663 42.059 -1.054 0.000 0.890 194 L HN 0.287 nan 8.230 nan 0.000 0.434 195 L N -1.575 119.435 121.223 -0.356 0.000 2.046 195 L HA -0.241 4.099 4.340 0.000 0.000 0.208 195 L C 2.495 179.396 176.870 0.052 0.000 1.077 195 L CA 1.557 56.289 54.840 -0.179 0.000 0.747 195 L CB -0.882 40.973 42.059 -0.340 0.000 0.896 195 L HN 0.377 nan 8.230 nan 0.000 0.432 196 H N -2.010 117.147 119.070 0.145 0.000 2.541 196 H HA -0.188 4.368 4.556 0.000 0.000 0.289 196 H C 1.959 177.300 175.328 0.021 0.000 1.054 196 H CA 1.260 57.379 56.048 0.118 0.000 1.250 196 H CB 0.191 30.019 29.762 0.110 0.000 1.369 196 H HN 0.337 nan 8.280 nan 0.000 0.578 197 H N -1.519 117.559 119.070 0.013 0.000 2.300 197 H HA -0.034 4.522 4.556 0.000 0.000 0.322 197 H C 2.564 177.792 175.328 -0.166 0.000 1.088 197 H CA 1.358 57.378 56.048 -0.046 0.000 1.532 197 H CB -0.584 29.202 29.762 0.040 0.000 1.488 197 H HN 0.434 nan 8.280 nan 0.000 0.607 198 C N -0.067 119.203 119.300 -0.050 0.000 2.413 198 C HA -0.075 4.385 4.460 0.000 0.000 0.276 198 C C 1.972 176.936 174.990 -0.043 0.000 1.248 198 C CA 0.637 59.621 59.018 -0.056 0.000 1.742 198 C CB -1.174 26.560 27.740 -0.009 0.000 2.017 198 C HN 0.625 nan 8.230 nan 0.000 0.481 199 C N -1.123 118.190 119.300 0.020 0.000 2.742 199 C HA 0.548 5.008 4.460 0.000 0.000 0.283 199 C C 0.769 176.004 174.990 0.409 0.000 1.451 199 C CA -0.651 58.556 59.018 0.316 0.000 1.785 199 C CB -2.418 25.510 27.740 0.314 0.000 2.664 199 C HN 0.631 nan 8.230 nan 0.000 0.544 200 F N -2.017 117.949 119.950 0.026 0.000 3.030 200 F HA -0.286 4.241 4.527 0.000 0.000 0.302 200 F C 0.880 176.658 175.800 -0.038 0.000 0.749 200 F CA 0.797 58.779 58.000 -0.029 0.000 1.040 200 F CB -2.523 36.409 39.000 -0.114 0.000 1.383 200 F HN 0.544 nan 8.300 nan 0.000 0.368 201 Y N 3.741 124.041 120.300 -0.000 0.000 2.678 201 Y HA 0.104 4.654 4.550 0.000 0.000 0.365 201 Y C 0.839 176.557 175.900 -0.304 0.000 1.337 201 Y CA -0.247 57.793 58.100 -0.099 0.000 1.906 201 Y CB -0.496 37.900 38.460 -0.107 0.000 1.556 201 Y HN 0.060 nan 8.280 nan 0.000 0.428 202 K N 4.593 124.737 120.400 -0.426 0.000 2.322 202 K HA 0.016 4.336 4.320 0.000 0.000 0.283 202 K C 0.782 176.943 176.600 -0.730 0.000 1.042 202 K CA -0.481 55.512 56.287 -0.490 0.000 0.958 202 K CB 0.577 32.975 32.500 -0.171 0.000 0.984 202 K HN 0.636 nan 8.250 nan 0.000 0.473 203 H N 1.727 120.261 119.070 -0.894 0.000 2.501 203 H HA -0.157 4.399 4.556 0.000 0.000 0.296 203 H C 0.147 175.254 175.328 -0.368 0.000 1.115 203 H CA 1.325 56.925 56.048 -0.747 0.000 1.242 203 H CB 0.089 29.695 29.762 -0.261 0.000 1.363 203 H HN 0.416 nan 8.280 nan 0.000 0.537 204 R N -1.555 118.856 120.500 -0.148 0.000 2.664 204 R HA 0.490 4.830 4.340 0.000 0.000 0.286 204 R C 0.788 177.044 176.300 -0.074 0.000 0.967 204 R CA -0.200 55.854 56.100 -0.077 0.000 0.933 204 R CB 1.463 31.740 30.300 -0.039 0.000 1.146 204 R HN 0.168 nan 8.270 nan 0.000 0.468 205 G N 1.225 109.990 108.800 -0.058 0.000 2.176 205 G HA2 -0.381 3.579 3.960 0.000 0.000 0.253 205 G HA3 -0.381 3.579 3.960 0.000 0.000 0.253 205 G C 0.275 175.135 174.900 -0.066 0.000 0.979 205 G CA 0.261 45.324 45.100 -0.062 0.000 0.641 205 G HN 0.870 nan 8.290 nan 0.000 0.530 206 R N 0.284 120.760 120.500 -0.041 0.000 2.837 206 R HA -0.238 4.102 4.340 0.000 0.000 0.264 206 R C 1.242 177.552 176.300 0.016 0.000 0.906 206 R CA 1.157 57.257 56.100 -0.000 0.000 0.711 206 R CB -1.582 28.571 30.300 -0.244 0.000 1.701 206 R HN 0.846 nan 8.270 nan 0.000 0.514 207 N N 3.380 122.129 118.700 0.080 0.000 2.515 207 N HA -0.029 4.711 4.740 0.000 0.000 0.191 207 N C 0.064 175.656 175.510 0.137 0.000 1.182 207 N CA 0.368 53.450 53.050 0.053 0.000 0.879 207 N CB 0.232 38.717 38.487 -0.003 0.000 0.984 207 N HN 0.427 nan 8.380 nan 0.000 0.453 208 L N 0.724 122.088 121.223 0.234 0.000 2.354 208 L HA 0.593 4.933 4.340 0.000 0.000 0.269 208 L C -0.503 176.522 176.870 0.259 0.000 1.005 208 L CA -1.380 53.635 54.840 0.292 0.000 0.819 208 L CB 2.202 44.462 42.059 0.335 0.000 1.311 208 L HN -0.177 nan 8.230 nan 0.000 0.423 209 V N -1.885 118.121 119.914 0.154 0.000 2.789 209 V HA 0.693 4.813 4.120 0.000 0.000 0.311 209 V C 0.099 176.286 176.094 0.156 0.000 1.073 209 V CA -0.621 61.699 62.300 0.033 0.000 0.921 209 V CB 1.369 32.957 31.823 -0.392 0.000 1.009 209 V HN 0.886 nan 8.190 nan 0.000 0.426 210 T N 0.734 115.417 114.554 0.216 0.000 2.849 210 T HA 0.787 5.137 4.350 0.000 0.000 0.276 210 T C -0.320 174.635 174.700 0.424 0.000 0.971 210 T CA -0.707 61.596 62.100 0.337 0.000 0.949 210 T CB 1.720 70.763 68.868 0.292 0.000 1.093 210 T HN 0.985 nan 8.240 nan 0.000 0.545 211 M N 1.655 121.625 119.600 0.615 0.000 2.265 211 M HA 0.290 4.770 4.480 0.000 0.000 0.262 211 M C -0.340 176.077 176.300 0.196 0.000 1.026 211 M CA -0.424 55.144 55.300 0.448 0.000 0.987 211 M CB 2.014 34.885 32.600 0.453 0.000 1.937 211 M HN 0.982 nan 8.290 nan 0.000 0.481 212 T N 2.607 117.143 114.554 -0.029 0.000 2.903 212 T HA 0.463 4.813 4.350 0.000 0.000 0.314 212 T C 0.267 174.914 174.700 -0.089 0.000 1.078 212 T CA 0.747 62.533 62.100 -0.522 0.000 1.114 212 T CB 0.437 69.244 68.868 -0.100 0.000 0.987 212 T HN 0.854 nan 8.240 nan 0.000 0.548 213 T N 0.196 114.694 114.554 -0.094 0.000 2.604 213 T HA 0.882 5.232 4.350 0.000 0.000 0.267 213 T C -0.637 174.188 174.700 0.208 0.000 0.923 213 T CA -0.383 61.785 62.100 0.113 0.000 1.077 213 T CB 1.281 70.112 68.868 -0.061 0.000 1.392 213 T HN 1.264 nan 8.240 nan 0.000 0.531 214 A N 0.630 123.469 122.820 0.031 0.000 2.569 214 A HA 0.755 5.075 4.320 0.000 0.000 0.292 214 A C -3.220 174.350 177.584 -0.024 0.000 1.032 214 A CA -1.305 50.802 52.037 0.116 0.000 0.669 214 A CB 0.465 19.674 19.000 0.348 0.000 1.290 214 A HN 0.745 nan 8.150 nan 0.000 0.422 215 P HA 0.345 nan 4.420 nan 0.000 0.273 215 P C -0.936 176.495 177.300 0.218 0.000 1.250 215 P CA -0.116 63.028 63.100 0.073 0.000 0.793 215 P CB 0.499 32.109 31.700 -0.149 0.000 1.011 216 R N 0.654 121.309 120.500 0.258 0.000 2.215 216 R HA 0.631 4.971 4.340 0.000 0.000 0.337 216 R C 0.658 177.192 176.300 0.389 0.000 1.010 216 R CA -0.138 56.138 56.100 0.294 0.000 0.871 216 R CB 0.430 30.866 30.300 0.227 0.000 1.134 216 R HN 0.911 nan 8.270 nan 0.000 0.477 217 G N 1.152 110.161 108.800 0.349 0.000 2.422 217 G HA2 -0.177 3.783 3.960 0.000 0.000 0.607 217 G HA3 -0.177 3.783 3.960 0.000 0.000 0.607 217 G C -0.189 174.809 174.900 0.163 0.000 1.270 217 G CA -0.873 44.347 45.100 0.201 0.000 0.992 217 G HN 0.436 nan 8.290 nan 0.000 0.499 218 L N -0.042 121.038 121.223 -0.237 0.000 2.586 218 L HA 0.293 4.633 4.340 0.000 0.000 0.204 218 L C 1.558 177.800 176.870 -1.047 0.000 1.053 218 L CA 0.694 55.353 54.840 -0.301 0.000 0.856 218 L CB -0.042 41.933 42.059 -0.139 0.000 1.192 218 L HN 0.825 nan 8.230 nan 0.000 0.484 219 Q N -0.277 118.873 119.800 -1.084 0.000 2.252 219 Q HA 0.398 4.738 4.340 0.000 0.000 0.256 219 Q C -0.199 175.032 176.000 -1.283 0.000 1.020 219 Q CA -0.575 54.511 55.803 -1.194 0.000 0.913 219 Q CB 1.845 30.273 28.738 -0.517 0.000 1.286 219 Q HN -0.046 nan 8.270 nan 0.000 0.480 220 S N -1.183 114.184 115.700 -0.555 0.000 2.584 220 S HA 0.416 4.886 4.470 0.000 0.000 0.270 220 S C 0.895 175.498 174.600 0.005 0.000 1.346 220 S CA 0.917 59.199 58.200 0.136 0.000 1.018 220 S CB -0.239 63.146 63.200 0.307 0.000 0.899 220 S HN 1.211 nan 8.310 nan 0.000 0.542 221 G N 2.392 111.280 108.800 0.147 0.000 2.136 221 G HA2 -0.160 3.800 3.960 0.000 0.000 0.242 221 G HA3 -0.160 3.800 3.960 0.000 0.000 0.242 221 G C -0.396 174.423 174.900 -0.135 0.000 0.989 221 G CA 0.307 45.179 45.100 -0.380 0.000 0.682 221 G HN 0.708 nan 8.290 nan 0.000 0.522 222 D N -0.951 119.520 120.400 0.117 0.000 2.487 222 D HA 0.801 5.441 4.640 0.000 0.000 0.262 222 D C 0.978 177.338 176.300 0.101 0.000 1.130 222 D CA -0.502 53.533 54.000 0.058 0.000 1.038 222 D CB 0.637 41.441 40.800 0.007 0.000 1.142 222 D HN 0.157 nan 8.370 nan 0.000 0.575 223 R N -0.293 120.185 120.500 -0.037 0.000 2.621 223 R HA 0.449 4.789 4.340 0.000 0.000 0.187 223 R C -1.857 174.218 176.300 -0.375 0.000 1.340 223 R CA -0.098 55.864 56.100 -0.230 0.000 1.251 223 R CB 0.096 30.179 30.300 -0.361 0.000 1.465 223 R HN 0.377 nan 8.270 nan 0.000 0.763 224 A N 1.507 124.300 122.820 -0.046 0.000 2.664 224 A HA 0.435 4.755 4.320 0.000 0.000 0.338 224 A C -0.171 177.528 177.584 0.192 0.000 1.280 224 A CA -0.340 51.725 52.037 0.048 0.000 0.809 224 A CB 0.859 19.860 19.000 0.001 0.000 1.114 224 A HN 0.230 nan 8.150 nan 0.000 0.479 225 T N 0.918 115.718 114.554 0.409 0.000 2.904 225 T HA 0.317 4.667 4.350 0.000 0.000 0.290 225 T C -0.524 174.299 174.700 0.206 0.000 1.018 225 T CA 0.385 62.667 62.100 0.304 0.000 1.075 225 T CB 0.520 69.539 68.868 0.252 0.000 0.986 225 T HN 0.586 nan 8.240 nan 0.000 0.523 226 W N 2.079 123.396 121.300 0.027 0.000 2.329 226 W HA 0.550 5.210 4.660 0.000 0.000 0.312 226 W C -1.162 175.337 176.519 -0.033 0.000 1.054 226 W CA -0.791 56.599 57.345 0.075 0.000 1.245 226 W CB 0.720 30.186 29.460 0.011 0.000 1.255 226 W HN 0.474 nan 8.180 nan 0.000 0.436 227 F N 2.812 122.941 119.950 0.299 0.000 2.444 227 F HA 0.588 5.115 4.527 0.000 0.000 0.342 227 F C 0.927 176.846 175.800 0.198 0.000 1.121 227 F CA -1.035 57.101 58.000 0.226 0.000 0.997 227 F CB 1.093 40.167 39.000 0.122 0.000 1.130 227 F HN 0.296 nan 8.300 nan 0.000 0.454 228 G N 2.855 111.832 108.800 0.296 0.000 2.476 228 G HA2 0.611 4.571 3.960 0.000 0.000 0.286 228 G HA3 0.611 4.571 3.960 0.000 0.000 0.286 228 G C -1.295 173.399 174.900 -0.343 0.000 1.177 228 G CA -0.565 44.480 45.100 -0.091 0.000 0.870 228 G HN 0.506 nan 8.290 nan 0.000 0.528 229 L N 0.649 121.515 121.223 -0.595 0.000 2.333 229 L HA 0.503 4.843 4.340 0.000 0.000 0.280 229 L C -1.080 175.424 176.870 -0.609 0.000 1.004 229 L CA -0.639 53.974 54.840 -0.379 0.000 0.820 229 L CB 1.655 43.634 42.059 -0.133 0.000 1.247 229 L HN 0.498 nan 8.230 nan 0.000 0.416 230 Y N 0.774 121.098 120.300 0.040 0.000 2.536 230 Y HA 0.447 4.997 4.550 0.000 0.000 0.347 230 Y C -0.377 175.642 175.900 0.199 0.000 1.000 230 Y CA -1.368 56.787 58.100 0.092 0.000 1.051 230 Y CB 0.836 39.435 38.460 0.231 0.000 1.259 230 Y HN 0.293 nan 8.280 nan 0.000 0.468 231 Y N 0.847 121.341 120.300 0.323 0.000 2.597 231 Y HA -0.089 4.461 4.550 0.000 0.000 0.336 231 Y C 0.849 176.832 175.900 0.138 0.000 1.216 231 Y CA -0.210 58.012 58.100 0.204 0.000 1.463 231 Y CB 0.561 39.139 38.460 0.197 0.000 1.303 231 Y HN 0.589 nan 8.280 nan 0.000 0.576 232 N N 3.958 122.778 118.700 0.200 0.000 3.245 232 N HA 0.076 4.816 4.740 0.000 0.000 0.296 232 N C -0.875 174.674 175.510 0.065 0.000 1.254 232 N CA -0.180 52.893 53.050 0.038 0.000 1.190 232 N CB -0.419 38.048 38.487 -0.033 0.000 1.460 232 N HN 0.328 nan 8.380 nan 0.000 0.538 233 I N 1.077 121.738 120.570 0.151 0.000 2.752 233 I HA -0.027 4.143 4.170 0.000 0.000 0.287 233 I C 0.721 176.890 176.117 0.087 0.000 1.188 233 I CA -0.129 61.256 61.300 0.142 0.000 1.427 233 I CB 0.041 38.171 38.000 0.216 0.000 1.365 233 I HN 0.418 nan 8.210 nan 0.000 0.585 234 S N 3.021 118.762 115.700 0.068 0.000 2.433 234 S HA 0.628 5.098 4.470 0.000 0.000 0.310 234 S C 0.696 175.337 174.600 0.069 0.000 1.097 234 S CA -0.044 58.185 58.200 0.048 0.000 1.103 234 S CB 1.350 64.563 63.200 0.021 0.000 0.992 234 S HN 1.285 nan 8.310 nan 0.000 0.469 235 G N 1.337 110.179 108.800 0.070 0.000 2.136 235 G HA2 0.224 4.184 3.960 0.000 0.000 0.242 235 G HA3 0.224 4.184 3.960 0.000 0.000 0.242 235 G C 0.150 175.124 174.900 0.123 0.000 0.989 235 G CA -0.033 45.118 45.100 0.086 0.000 0.682 235 G HN 1.780 nan 8.290 nan 0.000 0.522 236 A N -1.613 121.281 122.820 0.123 0.000 2.581 236 A HA 0.946 5.266 4.320 0.000 0.000 0.290 236 A C 0.348 177.911 177.584 -0.034 0.000 1.119 236 A CA 0.373 52.497 52.037 0.146 0.000 0.670 236 A CB 0.360 19.477 19.000 0.194 0.000 1.280 236 A HN 1.887 nan 8.150 nan 0.000 0.425 237 G N -0.491 108.064 108.800 -0.409 0.000 2.378 237 G HA2 0.456 4.416 3.960 0.000 0.000 0.255 237 G HA3 0.456 4.416 3.960 0.000 0.000 0.255 237 G C 0.279 174.852 174.900 -0.544 0.000 1.270 237 G CA 0.337 44.848 45.100 -0.981 0.000 0.876 237 G HN 1.351 nan 8.290 nan 0.000 0.521 238 F N 0.464 119.984 119.950 -0.718 0.000 2.776 238 F HA 0.294 4.821 4.527 0.000 0.000 0.300 238 F C 1.348 176.796 175.800 -0.586 0.000 1.116 238 F CA -0.695 57.049 58.000 -0.427 0.000 1.375 238 F CB -0.226 38.518 39.000 -0.427 0.000 1.109 238 F HN 0.330 nan 8.300 nan 0.000 0.585 239 F N 1.146 120.407 119.950 -1.148 0.000 2.451 239 F HA 0.036 4.563 4.527 0.000 0.000 0.299 239 F C 1.748 177.233 175.800 -0.524 0.000 1.101 239 F CA 0.667 58.072 58.000 -0.991 0.000 1.436 239 F CB -0.732 37.720 39.000 -0.913 0.000 1.074 239 F HN 0.045 nan 8.300 nan 0.000 0.553 240 L N -0.202 120.721 121.223 -0.501 0.000 2.591 240 L HA 0.031 4.371 4.340 0.000 0.000 0.228 240 L C 0.076 176.475 176.870 -0.785 0.000 1.133 240 L CA 0.413 54.866 54.840 -0.645 0.000 0.880 240 L CB -0.473 41.058 42.059 -0.880 0.000 1.033 240 L HN 0.231 nan 8.230 nan 0.000 0.450 241 H N -0.796 118.302 119.070 0.048 0.000 2.423 241 H HA 0.305 4.861 4.556 0.000 0.000 0.237 241 H C -0.636 174.833 175.328 0.235 0.000 1.391 241 H CA -0.494 55.606 56.048 0.087 0.000 1.453 241 H CB 0.257 30.038 29.762 0.032 0.000 1.484 241 H HN -0.001 nan 8.280 nan 0.000 0.505 242 H N 2.331 121.548 119.070 0.245 0.000 2.525 242 H HA 0.095 4.651 4.556 0.000 0.000 0.339 242 H C 0.974 176.275 175.328 -0.046 0.000 1.109 242 H CA -0.301 55.794 56.048 0.078 0.000 1.352 242 H CB 1.532 31.396 29.762 0.169 0.000 1.461 242 H HN 0.372 nan 8.280 nan 0.000 0.533 243 V N 1.663 121.667 119.914 0.150 0.000 3.514 243 V HA 0.300 4.420 4.120 0.000 0.000 0.301 243 V C 1.312 177.277 176.094 -0.215 0.000 1.346 243 V CA 0.520 62.779 62.300 -0.068 0.000 1.156 243 V CB -0.094 31.700 31.823 -0.049 0.000 1.029 243 V HN 0.986 nan 8.190 nan 0.000 0.428 244 G N 0.642 109.282 108.800 -0.265 0.000 2.205 244 G HA2 -0.278 3.682 3.960 0.000 0.000 0.261 244 G HA3 -0.278 3.682 3.960 0.000 0.000 0.261 244 G C -0.178 174.564 174.900 -0.263 0.000 0.980 244 G CA 0.468 45.168 45.100 -0.668 0.000 0.632 244 G HN 0.863 nan 8.290 nan 0.000 0.533 245 L N 1.564 122.841 121.223 0.090 0.000 2.265 245 L HA 0.770 5.111 4.340 0.000 0.000 0.289 245 L C -0.144 176.892 176.870 0.276 0.000 1.033 245 L CA -0.873 54.099 54.840 0.220 0.000 0.814 245 L CB 0.969 43.113 42.059 0.142 0.000 1.203 245 L HN 0.264 nan 8.230 nan 0.000 0.423 246 E N 5.373 125.804 120.200 0.385 0.000 2.256 246 E HA 0.638 4.988 4.350 0.000 0.000 0.267 246 E C -1.365 175.549 176.600 0.524 0.000 0.892 246 E CA -0.796 55.892 56.400 0.479 0.000 0.775 246 E CB 2.475 32.480 29.700 0.509 0.000 1.207 246 E HN 0.517 nan 8.360 nan 0.000 0.420 247 L N 2.012 123.481 121.223 0.411 0.000 2.370 247 L HA 0.449 4.789 4.340 0.000 0.000 0.266 247 L C -1.123 175.572 176.870 -0.291 0.000 1.002 247 L CA -1.135 53.743 54.840 0.063 0.000 0.818 247 L CB 1.649 43.707 42.059 -0.001 0.000 1.325 247 L HN 0.307 nan 8.230 nan 0.000 0.418 248 L N 3.316 124.093 121.223 -0.742 0.000 2.335 248 L HA 0.426 4.766 4.340 0.000 0.000 0.268 248 L C -0.658 175.995 176.870 -0.361 0.000 1.037 248 L CA -0.268 53.995 54.840 -0.963 0.000 0.895 248 L CB 1.182 42.344 42.059 -1.496 0.000 1.266 248 L HN 0.247 nan 8.230 nan 0.000 0.439 249 V N 4.411 124.250 119.914 -0.124 0.000 2.427 249 V HA 0.209 4.329 4.120 0.000 0.000 0.268 249 V C 0.611 176.752 176.094 0.079 0.000 1.046 249 V CA -0.465 61.818 62.300 -0.029 0.000 0.970 249 V CB 0.863 32.632 31.823 -0.090 0.000 1.001 249 V HN 0.746 nan 8.190 nan 0.000 0.476 250 N N 3.949 122.658 118.700 0.016 0.000 3.188 250 N HA 0.068 4.808 4.740 0.000 0.000 0.279 250 N C 0.731 176.161 175.510 -0.133 0.000 1.213 250 N CA -0.491 52.546 53.050 -0.021 0.000 1.138 250 N CB -0.242 38.240 38.487 -0.009 0.000 1.417 250 N HN 0.826 nan 8.380 nan 0.000 0.526 251 H N -0.535 118.226 119.070 -0.515 0.000 2.813 251 H HA 0.201 4.757 4.556 0.000 0.000 0.312 251 H C 1.428 176.340 175.328 -0.694 0.000 1.228 251 H CA -0.356 54.861 56.048 -1.386 0.000 1.154 251 H CB 0.435 29.224 29.762 -1.623 0.000 1.418 251 H HN 0.301 nan 8.280 nan 0.000 0.525 252 K N 0.936 121.100 120.400 -0.394 0.000 2.103 252 K HA 0.072 4.392 4.320 0.000 0.000 0.204 252 K C 1.012 177.673 176.600 0.102 0.000 1.052 252 K CA 0.562 56.750 56.287 -0.165 0.000 0.945 252 K CB 0.028 32.472 32.500 -0.093 0.000 0.722 252 K HN 0.439 nan 8.250 nan 0.000 0.443 253 A N 0.873 123.875 122.820 0.302 0.000 2.386 253 A HA 0.138 4.458 4.320 0.000 0.000 0.246 253 A C 0.929 178.789 177.584 0.459 0.000 1.089 253 A CA -0.220 52.026 52.037 0.349 0.000 0.790 253 A CB 0.205 19.390 19.000 0.309 0.000 1.042 253 A HN 0.369 nan 8.150 nan 0.000 0.497 254 L N -0.619 120.763 121.223 0.265 0.000 2.492 254 L HA 0.052 4.392 4.340 0.000 0.000 0.223 254 L C 0.232 177.167 176.870 0.108 0.000 1.132 254 L CA 0.681 55.658 54.840 0.227 0.000 0.850 254 L CB -0.182 41.967 42.059 0.150 0.000 0.966 254 L HN 0.793 nan 8.230 nan 0.000 0.454 255 D N -0.788 119.608 120.400 -0.006 0.000 2.462 255 D HA 0.222 4.862 4.640 0.000 0.000 0.245 255 D C -1.787 174.169 176.300 -0.573 0.000 1.122 255 D CA -2.025 51.857 54.000 -0.196 0.000 0.864 255 D CB 1.788 42.519 40.800 -0.115 0.000 1.098 255 D HN -0.265 nan 8.370 nan 0.000 0.541 256 P HA -0.255 nan 4.420 nan 0.000 0.219 256 P C 0.790 177.563 177.300 -0.878 0.000 1.149 256 P CA 1.491 63.608 63.100 -1.639 0.000 0.835 256 P CB 0.269 31.392 31.700 -0.962 0.000 0.778 257 A N -0.908 121.639 122.820 -0.456 0.000 1.970 257 A HA -0.119 4.201 4.320 0.000 0.000 0.216 257 A C 2.127 179.636 177.584 -0.125 0.000 1.170 257 A CA 0.907 52.818 52.037 -0.210 0.000 0.645 257 A CB -0.592 18.328 19.000 -0.134 0.000 0.816 257 A HN 0.002 nan 8.150 nan 0.000 0.447 258 R N -0.724 119.687 120.500 -0.149 0.000 2.152 258 R HA -0.110 4.230 4.340 0.000 0.000 0.232 258 R C -0.010 176.392 176.300 0.170 0.000 1.117 258 R CA 0.182 56.285 56.100 0.005 0.000 0.981 258 R CB -0.607 29.711 30.300 0.029 0.000 0.870 258 R HN 0.614 nan 8.270 nan 0.000 0.451 259 W N 1.708 123.033 121.300 0.041 0.000 2.187 259 W HA 0.095 4.755 4.660 0.000 0.000 0.348 259 W C 1.155 177.690 176.519 0.026 0.000 1.282 259 W CA -0.173 57.202 57.345 0.048 0.000 1.271 259 W CB -0.248 29.258 29.460 0.076 0.000 1.170 259 W HN -0.004 nan 8.180 nan 0.000 0.583 260 T N -0.825 113.884 114.554 0.259 0.000 2.792 260 T HA 0.588 4.938 4.350 0.000 0.000 0.303 260 T C -1.055 173.677 174.700 0.053 0.000 1.310 260 T CA -1.065 61.110 62.100 0.124 0.000 1.007 260 T CB 1.551 70.469 68.868 0.084 0.000 1.335 260 T HN 0.110 nan 8.240 nan 0.000 0.504 261 I N 2.836 123.412 120.570 0.010 0.000 2.307 261 I HA 0.276 4.446 4.170 0.000 0.000 0.287 261 I C 1.511 177.602 176.117 -0.044 0.000 1.054 261 I CA -0.341 60.931 61.300 -0.048 0.000 1.218 261 I CB 0.448 38.414 38.000 -0.057 0.000 1.398 261 I HN 0.831 nan 8.210 nan 0.000 0.475 262 Q N 3.282 123.038 119.800 -0.073 0.000 2.172 262 Q HA -0.062 4.278 4.340 0.000 0.000 0.200 262 Q C 0.383 176.375 176.000 -0.014 0.000 0.964 262 Q CA 1.206 56.986 55.803 -0.038 0.000 0.855 262 Q CB 0.326 29.038 28.738 -0.043 0.000 0.918 262 Q HN 0.433 nan 8.270 nan 0.000 0.444 263 K N -0.632 119.719 120.400 -0.082 0.000 2.556 263 K HA 0.504 4.824 4.320 0.000 0.000 0.274 263 K C -2.020 174.563 176.600 -0.027 0.000 0.966 263 K CA -0.590 55.719 56.287 0.037 0.000 0.865 263 K CB 2.769 35.390 32.500 0.200 0.000 1.444 263 K HN -0.099 nan 8.250 nan 0.000 0.433 264 V N 3.029 123.049 119.914 0.178 0.000 3.007 264 V HA 0.758 4.878 4.120 0.000 0.000 0.311 264 V C -1.903 174.438 176.094 0.412 0.000 1.120 264 V CA -0.643 61.795 62.300 0.228 0.000 0.980 264 V CB 1.634 33.548 31.823 0.152 0.000 1.033 264 V HN 0.691 nan 8.190 nan 0.000 0.429 265 F N 6.745 126.839 119.950 0.239 0.000 2.539 265 F HA 0.688 5.215 4.527 0.000 0.000 0.328 265 F C -1.705 174.187 175.800 0.153 0.000 1.148 265 F CA -0.674 57.373 58.000 0.078 0.000 0.940 265 F CB 1.561 40.481 39.000 -0.133 0.000 1.194 265 F HN 0.624 nan 8.300 nan 0.000 0.438 266 Y N 5.414 125.494 120.300 -0.366 0.000 2.373 266 Y HA 0.314 4.864 4.550 0.000 0.000 0.336 266 Y C 0.174 175.741 175.900 -0.554 0.000 0.979 266 Y CA -1.017 56.855 58.100 -0.381 0.000 1.080 266 Y CB 1.365 39.651 38.460 -0.290 0.000 1.190 266 Y HN 0.733 nan 8.280 nan 0.000 0.446 267 Q N 4.763 123.725 119.800 -1.396 0.000 2.388 267 Q HA -0.298 4.043 4.340 0.000 0.000 0.346 267 Q C 1.019 176.452 176.000 -0.945 0.000 1.319 267 Q CA 1.528 56.611 55.803 -1.199 0.000 1.023 267 Q CB -1.224 26.671 28.738 -1.407 0.000 1.247 267 Q HN 1.264 nan 8.270 nan 0.000 0.411 268 G N -1.060 106.941 108.800 -1.331 0.000 2.424 268 G HA2 -0.248 3.712 3.960 0.000 0.000 0.207 268 G HA3 -0.248 3.712 3.960 0.000 0.000 0.207 268 G C 0.034 174.523 174.900 -0.685 0.000 1.061 268 G CA -0.067 44.331 45.100 -1.170 0.000 0.657 268 G HN 0.309 nan 8.290 nan 0.000 0.508 269 R N -0.256 119.894 120.500 -0.584 0.000 2.674 269 R HA 0.749 5.089 4.340 0.000 0.000 0.266 269 R C -0.862 175.217 176.300 -0.368 0.000 1.016 269 R CA -0.548 55.344 56.100 -0.346 0.000 1.062 269 R CB 0.456 30.509 30.300 -0.412 0.000 1.142 269 R HN 0.228 nan 8.270 nan 0.000 0.517 270 Y N 0.805 120.903 120.300 -0.336 0.000 2.334 270 Y HA 0.381 4.931 4.550 0.000 0.000 0.328 270 Y C -0.487 175.152 175.900 -0.435 0.000 1.130 270 Y CA -0.095 57.965 58.100 -0.066 0.000 1.163 270 Y CB 0.910 39.434 38.460 0.107 0.000 1.207 270 Y HN 0.417 nan 8.280 nan 0.000 0.471 271 Y N 0.142 120.587 120.300 0.241 0.000 2.634 271 Y HA 0.282 4.832 4.550 0.000 0.000 0.340 271 Y C 0.630 176.617 175.900 0.146 0.000 1.058 271 Y CA -1.038 57.152 58.100 0.150 0.000 1.081 271 Y CB 1.440 39.947 38.460 0.078 0.000 1.295 271 Y HN 0.516 nan 8.280 nan 0.000 0.487 272 D N -0.183 120.371 120.400 0.257 0.000 2.301 272 D HA 0.042 4.682 4.640 0.000 0.000 0.206 272 D C 0.051 176.421 176.300 0.117 0.000 0.979 272 D CA 0.906 55.004 54.000 0.162 0.000 0.874 272 D CB 0.519 41.391 40.800 0.119 0.000 0.968 272 D HN 0.419 nan 8.370 nan 0.000 0.510 273 S N -1.252 114.516 115.700 0.114 0.000 2.625 273 S HA 0.335 4.805 4.470 0.000 0.000 0.271 273 S C 0.609 175.211 174.600 0.003 0.000 1.161 273 S CA -0.771 57.457 58.200 0.046 0.000 0.820 273 S CB 1.161 64.380 63.200 0.031 0.000 1.137 273 S HN -0.071 nan 8.310 nan 0.000 0.470 274 L N 0.884 122.078 121.223 -0.049 0.000 2.141 274 L HA 0.001 4.341 4.340 0.000 0.000 0.209 274 L C 2.966 179.769 176.870 -0.112 0.000 1.094 274 L CA 1.657 56.426 54.840 -0.117 0.000 0.763 274 L CB -0.980 40.998 42.059 -0.134 0.000 0.908 274 L HN 0.961 nan 8.230 nan 0.000 0.437 275 A N -0.111 122.675 122.820 -0.057 0.000 1.845 275 A HA -0.322 3.998 4.320 0.000 0.000 0.215 275 A C 2.211 179.778 177.584 -0.029 0.000 1.195 275 A CA 1.971 53.987 52.037 -0.035 0.000 0.616 275 A CB -0.808 18.187 19.000 -0.008 0.000 0.832 275 A HN 0.479 nan 8.150 nan 0.000 0.443 276 Q N -1.035 118.766 119.800 0.003 0.000 2.173 276 Q HA -0.239 4.101 4.340 0.000 0.000 0.208 276 Q C 1.894 177.891 176.000 -0.005 0.000 0.989 276 Q CA 2.000 57.828 55.803 0.042 0.000 0.872 276 Q CB -0.260 28.546 28.738 0.113 0.000 0.909 276 Q HN 0.536 nan 8.270 nan 0.000 0.420 277 L N 0.908 122.040 121.223 -0.152 0.000 2.007 277 L HA -0.104 4.236 4.340 0.000 0.000 0.205 277 L C 2.191 178.928 176.870 -0.223 0.000 1.073 277 L CA 2.450 57.032 54.840 -0.429 0.000 0.744 277 L CB -1.040 40.620 42.059 -0.666 0.000 0.898 277 L HN 0.243 nan 8.230 nan 0.000 0.435 278 E N 0.033 120.135 120.200 -0.163 0.000 2.171 278 E HA -0.199 4.151 4.350 0.000 0.000 0.197 278 E C 2.017 178.650 176.600 0.056 0.000 0.997 278 E CA 1.615 57.995 56.400 -0.035 0.000 0.810 278 E CB -0.362 29.312 29.700 -0.042 0.000 0.738 278 E HN 0.565 nan 8.360 nan 0.000 0.467 279 A N 0.155 122.980 122.820 0.009 0.000 1.877 279 A HA -0.210 4.110 4.320 0.000 0.000 0.216 279 A C 2.208 179.803 177.584 0.017 0.000 1.186 279 A CA 1.726 53.773 52.037 0.016 0.000 0.620 279 A CB -0.620 18.390 19.000 0.017 0.000 0.822 279 A HN 0.359 nan 8.150 nan 0.000 0.443 280 Q N -2.063 117.758 119.800 0.035 0.000 2.297 280 Q HA -0.069 4.271 4.340 0.000 0.000 0.204 280 Q C 1.706 177.735 176.000 0.049 0.000 0.962 280 Q CA 1.204 57.039 55.803 0.053 0.000 0.879 280 Q CB -0.182 28.628 28.738 0.121 0.000 0.947 280 Q HN 0.770 nan 8.270 nan 0.000 0.462 281 F N 1.443 121.337 119.950 -0.094 0.000 2.163 281 F HA -0.105 4.423 4.527 0.000 0.000 0.297 281 F C 1.603 177.345 175.800 -0.096 0.000 1.094 281 F CA 1.450 59.385 58.000 -0.108 0.000 1.290 281 F CB 0.046 38.948 39.000 -0.164 0.000 1.017 281 F HN -0.002 nan 8.300 nan 0.000 0.483 282 E N 0.391 120.416 120.200 -0.293 0.000 2.152 282 E HA -0.088 4.262 4.350 0.000 0.000 0.192 282 E C 2.331 178.775 176.600 -0.260 0.000 0.983 282 E CA 0.818 56.997 56.400 -0.369 0.000 0.818 282 E CB -0.383 29.237 29.700 -0.133 0.000 0.758 282 E HN 0.498 nan 8.360 nan 0.000 0.467 283 A N 0.823 123.551 122.820 -0.152 0.000 1.969 283 A HA 0.081 4.402 4.320 0.000 0.000 0.218 283 A C 1.906 179.420 177.584 -0.116 0.000 1.169 283 A CA 1.400 53.378 52.037 -0.099 0.000 0.635 283 A CB -0.308 18.668 19.000 -0.040 0.000 0.810 283 A HN 0.371 nan 8.150 nan 0.000 0.445 284 G N -2.660 106.051 108.800 -0.150 0.000 2.141 284 G HA2 -0.072 3.888 3.960 0.000 0.000 0.164 284 G HA3 -0.072 3.888 3.960 0.000 0.000 0.164 284 G C 0.159 175.032 174.900 -0.046 0.000 1.009 284 G CA 0.194 45.214 45.100 -0.133 0.000 0.677 284 G HN 0.797 nan 8.290 nan 0.000 0.508 285 L N 0.827 122.051 121.223 0.001 0.000 3.110 285 L HA 0.634 4.974 4.340 0.000 0.000 0.266 285 L C 0.187 177.120 176.870 0.105 0.000 1.257 285 L CA -0.144 54.726 54.840 0.050 0.000 1.038 285 L CB 1.278 43.373 42.059 0.060 0.000 1.395 285 L HN 0.085 nan 8.230 nan 0.000 0.566 286 V N 0.871 120.859 119.914 0.124 0.000 2.380 286 V HA 0.273 4.393 4.120 0.000 0.000 0.268 286 V C 0.109 176.317 176.094 0.189 0.000 1.008 286 V CA -0.745 61.668 62.300 0.189 0.000 0.823 286 V CB 1.064 33.029 31.823 0.235 0.000 1.053 286 V HN 0.249 nan 8.190 nan 0.000 0.446 287 N N 3.687 122.464 118.700 0.129 0.000 2.400 287 N HA 0.070 4.810 4.740 0.000 0.000 0.278 287 N C -0.201 175.378 175.510 0.116 0.000 1.247 287 N CA 0.107 53.226 53.050 0.115 0.000 0.970 287 N CB 1.124 39.662 38.487 0.085 0.000 1.312 287 N HN 0.393 nan 8.380 nan 0.000 0.488 288 V N 3.688 123.699 119.914 0.163 0.000 2.614 288 V HA 0.087 4.207 4.120 0.000 0.000 0.291 288 V C 0.463 176.612 176.094 0.092 0.000 1.049 288 V CA -0.421 61.961 62.300 0.137 0.000 1.038 288 V CB 1.510 33.451 31.823 0.198 0.000 0.980 288 V HN 0.252 nan 8.190 nan 0.000 0.481 289 V N 6.595 126.520 119.914 0.019 0.000 2.328 289 V HA 0.336 4.456 4.120 0.000 0.000 0.278 289 V C 0.034 176.107 176.094 -0.036 0.000 1.021 289 V CA -0.534 61.780 62.300 0.025 0.000 0.838 289 V CB 1.205 33.098 31.823 0.117 0.000 0.999 289 V HN 0.617 nan 8.190 nan 0.000 0.447 290 L N 6.095 127.321 121.223 0.006 0.000 2.433 290 L HA 0.314 4.654 4.340 0.000 0.000 0.275 290 L C -0.026 176.897 176.870 0.088 0.000 1.128 290 L CA -0.132 54.731 54.840 0.037 0.000 0.875 290 L CB 0.156 42.228 42.059 0.022 0.000 1.171 290 L HN 0.445 nan 8.230 nan 0.000 0.463 291 I N 4.176 124.874 120.570 0.213 0.000 2.337 291 I HA 0.276 4.446 4.170 0.000 0.000 0.291 291 I C -2.117 174.406 176.117 0.677 0.000 1.046 291 I CA -2.409 59.112 61.300 0.367 0.000 1.324 291 I CB 0.234 38.389 38.000 0.258 0.000 1.409 291 I HN 0.261 nan 8.210 nan 0.000 0.494 292 P HA 0.010 nan 4.420 nan 0.000 0.264 292 P C 0.460 178.025 177.300 0.441 0.000 1.193 292 P CA 0.164 63.536 63.100 0.453 0.000 0.763 292 P CB 0.538 32.431 31.700 0.321 0.000 0.810 293 D N 1.186 121.522 120.400 -0.106 0.000 2.340 293 D HA 0.002 4.642 4.640 0.000 0.000 0.220 293 D C 0.317 176.349 176.300 -0.446 0.000 1.039 293 D CA 0.649 54.396 54.000 -0.421 0.000 0.866 293 D CB -0.084 39.878 40.800 -1.397 0.000 0.913 293 D HN 0.213 nan 8.370 nan 0.000 0.523 294 N N -1.128 117.122 118.700 -0.751 0.000 3.204 294 N HA 0.609 5.349 4.740 0.000 0.000 0.285 294 N C -0.678 173.873 175.510 -1.599 0.000 1.536 294 N CA 0.396 52.811 53.050 -1.059 0.000 0.832 294 N CB 1.761 39.921 38.487 -0.544 0.000 1.645 294 N HN 0.162 nan 8.380 nan 0.000 0.586 295 G N -1.170 106.826 108.800 -1.341 0.000 2.362 295 G HA2 0.364 4.324 3.960 0.000 0.000 0.288 295 G HA3 0.364 4.324 3.960 0.000 0.000 0.288 295 G C -1.404 173.093 174.900 -0.670 0.000 1.305 295 G CA 0.028 44.495 45.100 -1.054 0.000 0.910 295 G HN 0.997 nan 8.290 nan 0.000 0.518 296 T N -2.843 111.626 114.554 -0.142 0.000 2.864 296 T HA 1.051 5.401 4.350 0.000 0.000 0.289 296 T C 0.655 175.584 174.700 0.382 0.000 1.082 296 T CA 0.416 62.620 62.100 0.173 0.000 1.009 296 T CB 1.655 70.568 68.868 0.075 0.000 1.234 296 T HN 2.914 nan 8.240 nan 0.000 0.526 297 G N -0.564 108.407 108.800 0.285 0.000 2.422 297 G HA2 0.306 4.266 3.960 0.000 0.000 0.607 297 G HA3 0.306 4.266 3.960 0.000 0.000 0.607 297 G C 0.645 175.674 174.900 0.214 0.000 1.270 297 G CA -0.042 45.195 45.100 0.228 0.000 0.992 297 G HN 1.563 nan 8.290 nan 0.000 0.499 298 G N -0.352 108.529 108.800 0.136 0.000 2.471 298 G HA2 0.182 4.142 3.960 0.000 0.000 0.219 298 G HA3 0.182 4.142 3.960 0.000 0.000 0.219 298 G C 2.031 176.984 174.900 0.087 0.000 1.125 298 G CA 2.089 47.247 45.100 0.096 0.000 0.775 298 G HN 1.901 nan 8.290 nan 0.000 0.548 299 S N -1.095 114.627 115.700 0.036 0.000 2.481 299 S HA -0.027 4.443 4.470 0.000 0.000 0.231 299 S C 1.694 176.056 174.600 -0.396 0.000 0.996 299 S CA 0.663 58.749 58.200 -0.190 0.000 0.942 299 S CB -0.304 62.736 63.200 -0.267 0.000 0.768 299 S HN 0.656 nan 8.310 nan 0.000 0.520 300 W N 0.822 122.264 121.300 0.236 0.000 3.178 300 W HA 0.487 5.147 4.660 0.000 0.000 0.241 300 W C 1.415 178.032 176.519 0.162 0.000 1.122 300 W CA -0.047 57.415 57.345 0.196 0.000 1.595 300 W CB -0.255 29.267 29.460 0.103 0.000 0.918 300 W HN 0.170 nan 8.180 nan 0.000 0.700 301 S N 0.268 116.163 115.700 0.326 0.000 2.738 301 S HA 0.480 4.950 4.470 0.000 0.000 0.284 301 S C 0.026 174.739 174.600 0.190 0.000 1.146 301 S CA -0.283 58.052 58.200 0.225 0.000 0.997 301 S CB 1.369 64.674 63.200 0.174 0.000 1.081 301 S HN 0.069 nan 8.310 nan 0.000 0.553 302 L N 0.944 122.255 121.223 0.147 0.000 3.154 302 L HA 0.528 4.868 4.340 0.000 0.000 0.280 302 L C 0.166 177.075 176.870 0.065 0.000 1.134 302 L CA 0.381 55.288 54.840 0.111 0.000 1.037 302 L CB -0.183 41.966 42.059 0.150 0.000 1.571 302 L HN 0.671 nan 8.230 nan 0.000 0.576 303 K N 1.174 121.617 120.400 0.073 0.000 2.276 303 K HA 0.267 4.587 4.320 0.000 0.000 0.285 303 K C 0.017 176.644 176.600 0.046 0.000 1.062 303 K CA -0.086 56.231 56.287 0.051 0.000 0.918 303 K CB 0.960 33.491 32.500 0.052 0.000 1.055 303 K HN 0.120 nan 8.250 nan 0.000 0.477 304 S N 4.531 120.249 115.700 0.031 0.000 2.552 304 S HA 0.056 4.526 4.470 0.000 0.000 0.289 304 S C -1.702 172.916 174.600 0.030 0.000 1.304 304 S CA -1.080 57.136 58.200 0.027 0.000 1.063 304 S CB 0.603 63.812 63.200 0.016 0.000 0.848 304 S HN 0.571 nan 8.310 nan 0.000 0.499 305 P HA 0.054 nan 4.420 nan 0.000 0.220 305 P C -0.139 177.175 177.300 0.023 0.000 1.154 305 P CA 0.214 63.333 63.100 0.031 0.000 0.830 305 P CB -0.180 31.541 31.700 0.035 0.000 0.803 306 V N -0.347 119.579 119.914 0.020 0.000 2.450 306 V HA 0.227 4.347 4.120 0.000 0.000 0.281 306 V C -1.897 174.205 176.094 0.014 0.000 1.019 306 V CA -1.980 60.329 62.300 0.016 0.000 1.062 306 V CB -0.938 30.893 31.823 0.013 0.000 0.979 306 V HN 0.043 nan 8.190 nan 0.000 0.477 307 P HA 0.272 nan 4.420 nan 0.000 0.270 307 P C -2.507 174.799 177.300 0.010 0.000 1.227 307 P CA -0.903 62.204 63.100 0.011 0.000 0.788 307 P CB -0.566 31.140 31.700 0.010 0.000 0.926 308 P HA 0.237 nan 4.420 nan 0.000 0.267 308 P C 0.339 177.643 177.300 0.007 0.000 1.205 308 P CA 0.411 63.517 63.100 0.010 0.000 0.765 308 P CB 0.211 31.917 31.700 0.011 0.000 0.828 309 G N 3.010 111.814 108.800 0.006 0.000 2.887 309 G HA2 0.573 4.533 3.960 0.000 0.000 0.277 309 G HA3 0.573 4.533 3.960 0.000 0.000 0.277 309 G C -2.478 172.424 174.900 0.003 0.000 1.346 309 G CA -1.421 43.681 45.100 0.004 0.000 1.058 309 G HN 0.313 nan 8.290 nan 0.000 0.535 310 P HA 0.238 nan 4.420 nan 0.000 0.264 310 P C 0.085 177.386 177.300 0.001 0.000 1.156 310 P CA 0.318 63.418 63.100 -0.001 0.000 0.756 310 P CB 0.274 31.974 31.700 0.000 0.000 0.764 311 A N 5.159 127.978 122.820 -0.002 0.000 2.462 311 A HA 0.388 4.708 4.320 0.000 0.000 0.243 311 A C -1.474 176.115 177.584 0.007 0.000 1.076 311 A CA -0.871 51.166 52.037 0.001 0.000 0.773 311 A CB -0.845 18.148 19.000 -0.013 0.000 1.010 311 A HN 0.501 nan 8.150 nan 0.000 0.493 312 P HA 0.297 nan 4.420 nan 0.000 0.274 312 P C -2.408 174.910 177.300 0.031 0.000 1.231 312 P CA -0.870 62.245 63.100 0.024 0.000 0.790 312 P CB -0.154 31.565 31.700 0.031 0.000 0.951 313 P HA 0.189 nan 4.420 nan 0.000 0.270 313 P C -0.600 176.739 177.300 0.066 0.000 1.227 313 P CA 0.067 63.195 63.100 0.047 0.000 0.788 313 P CB 0.593 32.319 31.700 0.043 0.000 0.926 314 L N -2.583 118.695 121.223 0.092 0.000 2.612 314 L HA 0.440 4.780 4.340 0.000 0.000 0.256 314 L C -0.597 176.388 176.870 0.190 0.000 0.949 314 L CA -1.147 53.767 54.840 0.125 0.000 0.867 314 L CB 1.757 43.886 42.059 0.117 0.000 1.417 314 L HN 0.296 nan 8.230 nan 0.000 0.414 315 Q N 1.463 121.368 119.800 0.175 0.000 2.177 315 Q HA 0.770 5.110 4.340 0.000 0.000 0.183 315 Q C -1.387 174.828 176.000 0.358 0.000 1.040 315 Q CA -0.270 55.625 55.803 0.154 0.000 1.089 315 Q CB 1.432 30.174 28.738 0.007 0.000 1.130 315 Q HN 0.646 nan 8.270 nan 0.000 0.575 316 F N -2.896 117.099 119.950 0.074 0.000 2.735 316 F HA 0.260 4.787 4.527 0.000 0.000 0.316 316 F C -2.241 173.680 175.800 0.201 0.000 1.093 316 F CA -1.348 56.775 58.000 0.205 0.000 0.989 316 F CB 0.080 39.166 39.000 0.143 0.000 1.246 316 F HN 0.275 nan 8.300 nan 0.000 0.463 317 Y N 3.342 123.723 120.300 0.136 0.000 2.452 317 Y HA 0.447 4.997 4.550 0.000 0.000 0.348 317 Y C -1.824 174.161 175.900 0.141 0.000 0.985 317 Y CA -2.451 55.669 58.100 0.034 0.000 1.214 317 Y CB 0.517 39.036 38.460 0.099 0.000 1.136 317 Y HN 0.413 nan 8.280 nan 0.000 0.523 318 P HA -0.185 nan 4.420 nan 0.000 0.216 318 P C 0.145 177.581 177.300 0.226 0.000 1.150 318 P CA 1.800 65.062 63.100 0.270 0.000 0.843 318 P CB 0.288 32.040 31.700 0.087 0.000 0.787 319 Q N -1.243 118.661 119.800 0.173 0.000 2.155 319 Q HA 0.427 4.767 4.340 0.000 0.000 0.273 319 Q C 0.391 176.463 176.000 0.120 0.000 0.857 319 Q CA -0.113 55.767 55.803 0.128 0.000 1.116 319 Q CB 0.834 29.629 28.738 0.095 0.000 1.209 319 Q HN 0.132 nan 8.270 nan 0.000 0.460 320 G N 2.576 111.470 108.800 0.157 0.000 2.796 320 G HA2 -0.178 3.782 3.960 0.000 0.000 0.571 320 G HA3 -0.178 3.782 3.960 0.000 0.000 0.571 320 G C -2.918 172.025 174.900 0.071 0.000 1.370 320 G CA -1.066 44.072 45.100 0.063 0.000 0.856 320 G HN 0.101 nan 8.290 nan 0.000 0.538 321 P HA 0.427 nan 4.420 nan 0.000 0.279 321 P C -0.086 177.190 177.300 -0.039 0.000 1.239 321 P CA -0.273 62.660 63.100 -0.279 0.000 0.789 321 P CB 1.000 32.153 31.700 -0.911 0.000 0.933 322 R N 2.135 122.789 120.500 0.257 0.000 2.568 322 R HA 0.305 4.645 4.340 0.000 0.000 0.288 322 R C -0.185 176.287 176.300 0.286 0.000 1.077 322 R CA 0.035 56.272 56.100 0.228 0.000 1.102 322 R CB -0.868 29.591 30.300 0.265 0.000 1.278 322 R HN 0.529 nan 8.270 nan 0.000 0.560 323 F N -2.514 117.477 119.950 0.068 0.000 2.628 323 F HA 0.623 5.150 4.527 0.000 0.000 0.309 323 F C -0.577 175.227 175.800 0.006 0.000 1.108 323 F CA -1.492 56.531 58.000 0.039 0.000 0.971 323 F CB 1.120 40.156 39.000 0.060 0.000 1.279 323 F HN -0.103 nan 8.300 nan 0.000 0.441 324 S N 1.606 117.320 115.700 0.023 0.000 2.578 324 S HA 0.903 5.373 4.470 0.000 0.000 0.301 324 S C -1.325 173.308 174.600 0.056 0.000 1.091 324 S CA -0.751 57.419 58.200 -0.051 0.000 1.032 324 S CB 1.897 65.073 63.200 -0.041 0.000 1.064 324 S HN 0.839 nan 8.310 nan 0.000 0.508 325 V N 2.254 122.190 119.914 0.037 0.000 2.447 325 V HA 0.443 4.563 4.120 0.000 0.000 0.292 325 V C -0.896 175.223 176.094 0.042 0.000 1.021 325 V CA -0.469 61.883 62.300 0.086 0.000 0.850 325 V CB 1.093 33.023 31.823 0.179 0.000 1.005 325 V HN 0.964 nan 8.190 nan 0.000 0.426 326 Q N 3.310 123.111 119.800 0.001 0.000 2.394 326 Q HA 0.628 4.968 4.340 0.000 0.000 0.261 326 Q C 0.809 176.781 176.000 -0.047 0.000 1.023 326 Q CA 0.116 55.911 55.803 -0.012 0.000 0.720 326 Q CB 2.161 30.886 28.738 -0.021 0.000 1.241 326 Q HN 1.065 nan 8.270 nan 0.000 0.483 327 G N 1.622 110.404 108.800 -0.031 0.000 2.543 327 G HA2 -0.337 3.623 3.960 0.000 0.000 0.286 327 G HA3 -0.337 3.623 3.960 0.000 0.000 0.286 327 G C 0.568 175.320 174.900 -0.246 0.000 1.153 327 G CA 0.277 45.328 45.100 -0.082 0.000 0.968 327 G HN 0.490 nan 8.290 nan 0.000 0.544 328 S N 1.271 116.727 115.700 -0.406 0.000 2.540 328 S HA 0.316 4.786 4.470 0.000 0.000 0.218 328 S C 0.895 175.008 174.600 -0.811 0.000 0.977 328 S CA 0.103 57.732 58.200 -0.951 0.000 0.918 328 S CB 0.161 62.958 63.200 -0.671 0.000 0.806 328 S HN 0.517 nan 8.310 nan 0.000 0.496 329 R N 1.331 121.596 120.500 -0.391 0.000 2.338 329 R HA 0.570 4.910 4.340 0.000 0.000 0.317 329 R C -0.991 175.150 176.300 -0.264 0.000 0.968 329 R CA -0.285 55.634 56.100 -0.301 0.000 0.849 329 R CB 1.641 31.837 30.300 -0.173 0.000 1.128 329 R HN 0.041 nan 8.270 nan 0.000 0.448 330 V N 1.473 121.084 119.914 -0.505 0.000 2.850 330 V HA 0.839 4.959 4.120 0.000 0.000 0.315 330 V C -0.245 175.614 176.094 -0.391 0.000 1.064 330 V CA -0.691 61.359 62.300 -0.416 0.000 0.979 330 V CB 1.834 33.262 31.823 -0.660 0.000 1.039 330 V HN 0.939 nan 8.190 nan 0.000 0.452 331 A N 2.118 124.866 122.820 -0.119 0.000 2.532 331 A HA 0.830 5.150 4.320 0.000 0.000 0.296 331 A C -0.531 177.111 177.584 0.096 0.000 1.058 331 A CA 0.009 52.029 52.037 -0.028 0.000 0.729 331 A CB 1.813 20.794 19.000 -0.031 0.000 1.285 331 A HN 1.212 nan 8.150 nan 0.000 0.396 332 S N 0.182 115.955 115.700 0.122 0.000 2.720 332 S HA 0.698 5.169 4.470 0.000 0.000 0.287 332 S C 1.209 175.856 174.600 0.078 0.000 1.168 332 S CA 0.218 58.514 58.200 0.160 0.000 0.832 332 S CB 0.872 64.219 63.200 0.244 0.000 1.166 332 S HN 1.865 nan 8.310 nan 0.000 0.493 333 S N 0.699 116.436 115.700 0.062 0.000 2.372 333 S HA -0.151 4.319 4.470 0.000 0.000 0.227 333 S C 1.678 176.204 174.600 -0.123 0.000 1.044 333 S CA 1.594 59.784 58.200 -0.018 0.000 1.050 333 S CB -1.092 62.106 63.200 -0.004 0.000 0.901 333 S HN 0.608 nan 8.310 nan 0.000 0.447 334 L N -1.459 119.684 121.223 -0.133 0.000 2.130 334 L HA 0.258 4.598 4.340 0.000 0.000 0.200 334 L C 0.943 177.528 176.870 -0.475 0.000 1.075 334 L CA 0.316 54.874 54.840 -0.469 0.000 0.768 334 L CB -0.187 41.644 42.059 -0.380 0.000 0.933 334 L HN 0.340 nan 8.230 nan 0.000 0.451 335 W N -0.983 120.339 121.300 0.036 0.000 2.497 335 W HA 0.518 5.178 4.660 0.000 0.000 0.359 335 W C -0.232 176.311 176.519 0.039 0.000 1.131 335 W CA -0.339 57.070 57.345 0.106 0.000 1.280 335 W CB 1.252 30.767 29.460 0.091 0.000 1.319 335 W HN -0.369 nan 8.180 nan 0.000 0.626 336 T N 2.221 117.014 114.554 0.398 0.000 3.105 336 T HA 0.592 4.942 4.350 0.000 0.000 0.321 336 T C -1.445 173.427 174.700 0.286 0.000 1.135 336 T CA -0.514 61.688 62.100 0.170 0.000 1.053 336 T CB 0.719 69.657 68.868 0.117 0.000 1.133 336 T HN 0.340 nan 8.240 nan 0.000 0.463 337 F N -0.284 119.684 119.950 0.030 0.000 2.944 337 F HA 0.793 5.320 4.527 0.000 0.000 0.324 337 F C -1.360 174.447 175.800 0.012 0.000 1.151 337 F CA -1.088 56.924 58.000 0.019 0.000 0.883 337 F CB 0.882 39.882 39.000 -0.001 0.000 1.341 337 F HN 0.432 nan 8.300 nan 0.000 0.456 338 S N 1.052 116.910 115.700 0.263 0.000 2.532 338 S HA 0.817 5.287 4.470 0.000 0.000 0.299 338 S C -1.143 173.660 174.600 0.338 0.000 1.105 338 S CA -0.567 57.696 58.200 0.106 0.000 1.018 338 S CB 0.643 63.871 63.200 0.047 0.000 1.021 338 S HN 0.983 nan 8.310 nan 0.000 0.483 339 F N 2.363 122.433 119.950 0.200 0.000 2.613 339 F HA 1.050 5.577 4.527 0.000 0.000 0.342 339 F C 0.394 176.219 175.800 0.042 0.000 1.066 339 F CA -0.400 57.689 58.000 0.149 0.000 1.002 339 F CB 0.847 39.915 39.000 0.113 0.000 1.319 339 F HN 0.831 nan 8.300 nan 0.000 0.495 340 G N -0.072 108.956 108.800 0.379 0.000 2.340 340 G HA2 0.512 4.472 3.960 0.000 0.000 0.299 340 G HA3 0.512 4.472 3.960 0.000 0.000 0.299 340 G C -2.819 172.337 174.900 0.427 0.000 1.291 340 G CA -0.775 44.512 45.100 0.312 0.000 0.841 340 G HN 0.953 nan 8.290 nan 0.000 0.500 341 L N 0.450 121.903 121.223 0.384 0.000 2.516 341 L HA 0.731 5.071 4.340 0.000 0.000 0.267 341 L C 0.425 177.384 176.870 0.148 0.000 0.957 341 L CA 0.165 55.056 54.840 0.084 0.000 0.860 341 L CB 1.734 43.510 42.059 -0.472 0.000 1.265 341 L HN 1.178 nan 8.230 nan 0.000 0.403 342 G N 2.195 111.024 108.800 0.048 0.000 2.444 342 G HA2 0.484 4.444 3.960 0.000 0.000 0.268 342 G HA3 0.484 4.444 3.960 0.000 0.000 0.268 342 G C 0.776 175.663 174.900 -0.021 0.000 1.203 342 G CA 0.020 45.174 45.100 0.090 0.000 0.835 342 G HN 1.023 nan 8.290 nan 0.000 0.543 343 A N 1.338 124.119 122.820 -0.065 0.000 1.908 343 A HA 0.042 4.362 4.320 0.000 0.000 0.218 343 A C 1.735 178.979 177.584 -0.566 0.000 1.181 343 A CA 1.527 53.353 52.037 -0.352 0.000 0.627 343 A CB -0.313 18.220 19.000 -0.778 0.000 0.818 343 A HN 0.642 nan 8.150 nan 0.000 0.445 344 F N -1.845 118.152 119.950 0.078 0.000 2.602 344 F HA 0.130 4.658 4.527 0.000 0.000 0.284 344 F C 2.669 178.437 175.800 -0.054 0.000 1.111 344 F CA 0.575 58.590 58.000 0.024 0.000 1.405 344 F CB -0.200 38.822 39.000 0.038 0.000 1.121 344 F HN 0.204 nan 8.300 nan 0.000 0.603 345 S N -0.154 115.592 115.700 0.077 0.000 2.355 345 S HA 0.308 4.778 4.470 0.000 0.000 0.222 345 S C 1.350 175.799 174.600 -0.252 0.000 1.031 345 S CA 1.386 59.552 58.200 -0.056 0.000 0.993 345 S CB -0.691 62.516 63.200 0.012 0.000 0.859 345 S HN 0.645 nan 8.310 nan 0.000 0.453 346 G N 0.232 108.881 108.800 -0.251 0.000 2.472 346 G HA2 -0.101 3.859 3.960 0.000 0.000 0.205 346 G HA3 -0.101 3.859 3.960 0.000 0.000 0.205 346 G C -3.122 171.561 174.900 -0.362 0.000 1.270 346 G CA -0.585 44.261 45.100 -0.424 0.000 0.974 346 G HN 0.427 nan 8.290 nan 0.000 0.542 347 P HA 0.357 nan 4.420 nan 0.000 0.265 347 P C -0.132 177.077 177.300 -0.153 0.000 1.193 347 P CA 0.506 63.471 63.100 -0.225 0.000 0.765 347 P CB 0.393 31.936 31.700 -0.262 0.000 0.823 348 R N 2.588 123.085 120.500 -0.005 0.000 2.707 348 R HA 0.768 5.108 4.340 0.000 0.000 0.272 348 R C -1.574 174.708 176.300 -0.030 0.000 1.011 348 R CA -0.912 55.142 56.100 -0.076 0.000 0.893 348 R CB 1.531 31.826 30.300 -0.009 0.000 1.233 348 R HN 0.293 nan 8.270 nan 0.000 0.464 349 I N 2.088 122.485 120.570 -0.289 0.000 2.619 349 I HA 0.499 4.669 4.170 0.000 0.000 0.292 349 I C -1.368 174.414 176.117 -0.559 0.000 1.100 349 I CA -0.908 60.289 61.300 -0.172 0.000 1.043 349 I CB 2.121 40.048 38.000 -0.122 0.000 1.239 349 I HN 0.522 nan 8.210 nan 0.000 0.420 350 F N 2.616 122.422 119.950 -0.240 0.000 2.611 350 F HA 0.352 4.879 4.527 0.000 0.000 0.324 350 F C 0.210 175.756 175.800 -0.424 0.000 1.061 350 F CA -0.752 56.885 58.000 -0.606 0.000 0.954 350 F CB 0.988 39.125 39.000 -1.437 0.000 1.301 350 F HN 0.442 nan 8.300 nan 0.000 0.482 351 D N 1.467 121.706 120.400 -0.269 0.000 2.904 351 D HA -0.155 4.485 4.640 0.000 0.000 0.231 351 D C -1.206 175.171 176.300 0.128 0.000 1.185 351 D CA 0.312 54.284 54.000 -0.048 0.000 0.783 351 D CB -0.546 40.235 40.800 -0.033 0.000 0.961 351 D HN 0.208 nan 8.370 nan 0.000 0.409 352 V N 3.772 123.785 119.914 0.164 0.000 2.406 352 V HA 0.420 4.540 4.120 0.000 0.000 0.272 352 V C 1.075 177.375 176.094 0.343 0.000 1.043 352 V CA -0.123 62.374 62.300 0.329 0.000 0.915 352 V CB 1.350 33.360 31.823 0.312 0.000 0.988 352 V HN 0.238 nan 8.190 nan 0.000 0.466 353 R N 4.184 124.924 120.500 0.400 0.000 2.451 353 R HA 0.432 4.772 4.340 0.000 0.000 0.307 353 R C -1.281 175.204 176.300 0.309 0.000 0.965 353 R CA -0.527 55.757 56.100 0.306 0.000 0.865 353 R CB 1.939 32.358 30.300 0.198 0.000 1.174 353 R HN 0.609 nan 8.270 nan 0.000 0.455 354 F N 3.846 123.813 119.950 0.028 0.000 2.368 354 F HA 0.120 4.647 4.527 0.000 0.000 0.362 354 F C 0.200 175.943 175.800 -0.095 0.000 1.137 354 F CA -0.142 57.694 58.000 -0.274 0.000 1.161 354 F CB 0.416 39.184 39.000 -0.387 0.000 1.265 354 F HN 0.634 nan 8.300 nan 0.000 0.530 355 Q N 3.878 123.454 119.800 -0.373 0.000 2.478 355 Q HA -0.224 4.116 4.340 0.000 0.000 0.286 355 Q C 1.063 177.030 176.000 -0.056 0.000 1.299 355 Q CA 0.782 56.430 55.803 -0.260 0.000 0.826 355 Q CB -1.812 26.729 28.738 -0.328 0.000 1.199 355 Q HN 1.257 nan 8.270 nan 0.000 0.451 356 G N -0.257 108.547 108.800 0.006 0.000 2.217 356 G HA2 -0.359 3.601 3.960 0.000 0.000 0.246 356 G HA3 -0.359 3.601 3.960 0.000 0.000 0.246 356 G C -0.081 174.885 174.900 0.110 0.000 0.990 356 G CA 0.353 45.485 45.100 0.054 0.000 0.627 356 G HN 0.494 nan 8.290 nan 0.000 0.522 357 E N 0.521 120.820 120.200 0.165 0.000 2.156 357 E HA 0.584 4.934 4.350 0.000 0.000 0.279 357 E C 0.503 177.239 176.600 0.226 0.000 0.965 357 E CA -0.998 55.532 56.400 0.216 0.000 0.789 357 E CB 0.506 30.394 29.700 0.314 0.000 1.098 357 E HN 0.402 nan 8.360 nan 0.000 0.397 358 R N 5.082 125.700 120.500 0.197 0.000 2.267 358 R HA 0.156 4.496 4.340 0.000 0.000 0.319 358 R C 0.146 176.539 176.300 0.155 0.000 1.067 358 R CA -0.077 56.133 56.100 0.183 0.000 0.936 358 R CB 0.427 30.832 30.300 0.176 0.000 1.006 358 R HN 0.759 nan 8.270 nan 0.000 0.452 359 L N 3.807 125.085 121.223 0.092 0.000 2.286 359 L HA 0.214 4.554 4.340 0.000 0.000 0.203 359 L C -0.004 176.827 176.870 -0.064 0.000 1.068 359 L CA 0.170 54.960 54.840 -0.083 0.000 0.811 359 L CB 0.345 42.247 42.059 -0.262 0.000 0.989 359 L HN 0.375 nan 8.230 nan 0.000 0.467 360 V N -2.303 117.609 119.914 -0.004 0.000 2.823 360 V HA 0.158 4.278 4.120 0.000 0.000 0.312 360 V C 0.189 176.314 176.094 0.052 0.000 1.072 360 V CA -0.738 61.556 62.300 -0.010 0.000 0.937 360 V CB 1.929 33.698 31.823 -0.091 0.000 1.013 360 V HN 0.049 nan 8.190 nan 0.000 0.430 361 Y N 1.843 122.128 120.300 -0.026 0.000 2.314 361 Y HA 0.298 4.848 4.550 0.000 0.000 0.294 361 Y C 0.861 176.728 175.900 -0.055 0.000 1.119 361 Y CA 1.498 59.612 58.100 0.024 0.000 1.179 361 Y CB 0.531 39.039 38.460 0.080 0.000 1.025 361 Y HN 0.790 nan 8.280 nan 0.000 0.541 362 E N -0.098 119.961 120.200 -0.234 0.000 2.380 362 E HA 0.399 4.749 4.350 0.000 0.000 0.281 362 E C -2.000 174.341 176.600 -0.431 0.000 0.999 362 E CA -0.628 55.414 56.400 -0.597 0.000 0.800 362 E CB 1.383 30.652 29.700 -0.719 0.000 1.228 362 E HN 0.119 nan 8.360 nan 0.000 0.436 363 I N 2.956 123.220 120.570 -0.510 0.000 2.534 363 I HA 0.299 4.469 4.170 0.000 0.000 0.286 363 I C -0.826 175.091 176.117 -0.333 0.000 1.094 363 I CA -0.474 60.628 61.300 -0.330 0.000 1.055 363 I CB 1.887 39.741 38.000 -0.244 0.000 1.225 363 I HN 0.614 nan 8.210 nan 0.000 0.435 364 S N 5.650 121.196 115.700 -0.256 0.000 2.618 364 S HA 0.728 5.198 4.470 0.000 0.000 0.277 364 S C -1.026 173.461 174.600 -0.188 0.000 1.138 364 S CA -0.853 57.213 58.200 -0.224 0.000 0.844 364 S CB 2.346 65.405 63.200 -0.235 0.000 1.127 364 S HN 0.419 nan 8.310 nan 0.000 0.474 365 L N 1.022 122.052 121.223 -0.322 0.000 2.466 365 L HA 0.559 4.899 4.340 0.000 0.000 0.257 365 L C 0.775 177.355 176.870 -0.485 0.000 1.189 365 L CA 0.527 54.992 54.840 -0.625 0.000 0.813 365 L CB 0.407 41.908 42.059 -0.930 0.000 1.118 365 L HN 0.897 nan 8.230 nan 0.000 0.471 366 Q N 0.785 120.243 119.800 -0.570 0.000 2.360 366 Q HA 0.275 4.615 4.340 0.000 0.000 0.261 366 Q C -0.489 175.292 176.000 -0.365 0.000 0.802 366 Q CA 0.116 55.711 55.803 -0.347 0.000 0.983 366 Q CB 1.366 29.942 28.738 -0.269 0.000 1.211 366 Q HN 0.725 nan 8.270 nan 0.000 0.523 367 E N -0.830 119.028 120.200 -0.570 0.000 2.417 367 E HA 0.672 5.022 4.350 0.000 0.000 0.280 367 E C -2.049 174.236 176.600 -0.525 0.000 1.112 367 E CA -0.262 55.866 56.400 -0.453 0.000 0.863 367 E CB 1.346 30.788 29.700 -0.430 0.000 1.346 367 E HN 0.057 nan 8.360 nan 0.000 0.443 368 A N 1.232 123.907 122.820 -0.243 0.000 2.515 368 A HA 0.865 5.185 4.320 0.000 0.000 0.298 368 A C -1.865 175.778 177.584 0.098 0.000 1.059 368 A CA -0.534 51.393 52.037 -0.183 0.000 0.698 368 A CB 1.235 20.019 19.000 -0.361 0.000 1.289 368 A HN 0.624 nan 8.150 nan 0.000 0.404 369 L N 0.587 121.919 121.223 0.182 0.000 2.415 369 L HA 0.946 5.286 4.340 0.000 0.000 0.256 369 L C -0.722 176.206 176.870 0.097 0.000 1.010 369 L CA 0.090 54.999 54.840 0.115 0.000 0.826 369 L CB 2.194 44.259 42.059 0.010 0.000 1.405 369 L HN 1.585 nan 8.230 nan 0.000 0.410 370 A N 4.664 127.486 122.820 0.005 0.000 2.547 370 A HA 0.647 4.967 4.320 0.000 0.000 0.279 370 A C -1.381 176.067 177.584 -0.227 0.000 1.088 370 A CA -0.225 51.746 52.037 -0.111 0.000 0.796 370 A CB 0.429 19.465 19.000 0.060 0.000 1.308 370 A HN 0.572 nan 8.150 nan 0.000 0.415 371 I N 3.240 123.604 120.570 -0.342 0.000 2.312 371 I HA 0.337 4.507 4.170 0.000 0.000 0.290 371 I C -0.549 175.380 176.117 -0.314 0.000 1.008 371 I CA -0.368 60.764 61.300 -0.280 0.000 1.226 371 I CB 0.805 38.654 38.000 -0.252 0.000 1.371 371 I HN 0.674 nan 8.210 nan 0.000 0.468 372 Y N 4.116 124.333 120.300 -0.139 0.000 2.496 372 Y HA 0.744 5.294 4.550 0.000 0.000 0.325 372 Y C 0.956 176.824 175.900 -0.054 0.000 1.271 372 Y CA -0.355 57.697 58.100 -0.079 0.000 1.368 372 Y CB 1.577 39.960 38.460 -0.129 0.000 1.415 372 Y HN 0.519 nan 8.280 nan 0.000 0.527 373 G N -1.309 107.600 108.800 0.182 0.000 2.698 373 G HA2 0.588 4.548 3.960 0.000 0.000 0.293 373 G HA3 0.588 4.548 3.960 0.000 0.000 0.293 373 G C -1.118 173.872 174.900 0.149 0.000 1.437 373 G CA -0.243 44.946 45.100 0.148 0.000 0.852 373 G HN 0.977 nan 8.290 nan 0.000 0.499 374 G N -0.962 107.822 108.800 -0.027 0.000 2.328 374 G HA2 0.337 4.297 3.960 0.000 0.000 0.299 374 G HA3 0.337 4.297 3.960 0.000 0.000 0.299 374 G C 0.268 174.612 174.900 -0.928 0.000 1.435 374 G CA 0.086 44.957 45.100 -0.381 0.000 0.865 374 G HN 1.150 nan 8.290 nan 0.000 0.601 375 N N -1.170 117.021 118.700 -0.848 0.000 2.467 375 N HA 0.071 4.811 4.740 0.000 0.000 0.184 375 N C 0.511 175.880 175.510 -0.235 0.000 1.106 375 N CA 0.302 52.998 53.050 -0.590 0.000 0.892 375 N CB 0.311 38.503 38.487 -0.491 0.000 0.969 375 N HN 0.263 nan 8.380 nan 0.000 0.454 376 S N 1.489 117.021 115.700 -0.281 0.000 2.508 376 S HA 0.233 4.703 4.470 0.000 0.000 0.284 376 S C -1.737 172.458 174.600 -0.675 0.000 1.192 376 S CA -1.298 56.636 58.200 -0.444 0.000 1.070 376 S CB 2.001 65.097 63.200 -0.173 0.000 1.004 376 S HN -0.037 nan 8.310 nan 0.000 0.493 377 P HA -0.210 nan 4.420 nan 0.000 0.215 377 P C 1.400 178.080 177.300 -1.034 0.000 1.163 377 P CA 1.687 64.062 63.100 -1.210 0.000 0.894 377 P CB 0.086 30.533 31.700 -2.088 0.000 0.791 378 A N -0.214 122.062 122.820 -0.907 0.000 1.841 378 A HA -0.180 4.140 4.320 0.000 0.000 0.216 378 A C 2.327 179.718 177.584 -0.322 0.000 1.199 378 A CA 2.614 54.387 52.037 -0.439 0.000 0.621 378 A CB -1.753 17.184 19.000 -0.106 0.000 0.835 378 A HN 0.192 nan 8.150 nan 0.000 0.445 379 A N -0.776 121.884 122.820 -0.267 0.000 1.852 379 A HA -0.285 4.035 4.320 0.000 0.000 0.217 379 A C 2.273 179.743 177.584 -0.189 0.000 1.215 379 A CA 2.484 54.393 52.037 -0.213 0.000 0.641 379 A CB -0.868 18.050 19.000 -0.138 0.000 0.838 379 A HN 0.684 nan 8.150 nan 0.000 0.450 380 M N -0.073 119.379 119.600 -0.246 0.000 2.403 380 M HA -0.225 4.255 4.480 0.000 0.000 0.253 380 M C 0.936 177.152 176.300 -0.140 0.000 1.101 380 M CA 2.155 57.325 55.300 -0.217 0.000 1.030 380 M CB -0.365 32.049 32.600 -0.311 0.000 1.380 380 M HN 0.672 nan 8.290 nan 0.000 0.426 381 T N -4.487 109.972 114.554 -0.157 0.000 3.541 381 T HA 0.212 4.562 4.350 0.000 0.000 0.309 381 T C -0.048 174.598 174.700 -0.090 0.000 0.973 381 T CA -0.543 61.508 62.100 -0.081 0.000 0.993 381 T CB -0.075 68.763 68.868 -0.049 0.000 1.206 381 T HN 0.050 nan 8.240 nan 0.000 0.489 382 T N 3.270 117.734 114.554 -0.150 0.000 2.727 382 T HA 0.488 4.838 4.350 0.000 0.000 0.298 382 T C -0.114 174.450 174.700 -0.228 0.000 0.942 382 T CA -0.461 61.462 62.100 -0.295 0.000 0.997 382 T CB 0.518 69.056 68.868 -0.550 0.000 0.917 382 T HN 0.167 nan 8.240 nan 0.000 0.487 383 R N 2.870 123.216 120.500 -0.257 0.000 2.564 383 R HA 0.275 4.615 4.340 0.000 0.000 0.282 383 R C -1.198 174.989 176.300 -0.189 0.000 1.573 383 R CA -0.586 55.377 56.100 -0.229 0.000 1.588 383 R CB 0.022 30.221 30.300 -0.168 0.000 1.154 383 R HN 0.511 nan 8.270 nan 0.000 0.606 384 Y N 0.754 121.031 120.300 -0.037 0.000 2.605 384 Y HA 0.034 4.584 4.550 0.000 0.000 0.336 384 Y C 0.859 176.737 175.900 -0.037 0.000 1.111 384 Y CA -0.410 57.685 58.100 -0.009 0.000 1.422 384 Y CB 0.658 39.110 38.460 -0.013 0.000 1.193 384 Y HN 0.110 nan 8.280 nan 0.000 0.526 385 V N 4.947 124.991 119.914 0.216 0.000 2.180 385 V HA 0.043 4.163 4.120 0.000 0.000 0.265 385 V C 0.661 176.887 176.094 0.220 0.000 1.214 385 V CA -0.621 61.779 62.300 0.167 0.000 1.130 385 V CB 0.209 32.145 31.823 0.188 0.000 1.266 385 V HN 0.751 nan 8.190 nan 0.000 0.473 386 D N 3.415 123.920 120.400 0.175 0.000 2.347 386 D HA -0.200 4.440 4.640 0.000 0.000 0.208 386 D C 2.093 178.491 176.300 0.164 0.000 0.994 386 D CA 1.715 55.790 54.000 0.125 0.000 0.924 386 D CB 0.149 40.965 40.800 0.027 0.000 0.892 386 D HN 0.652 nan 8.370 nan 0.000 0.471 387 G N 0.261 109.137 108.800 0.126 0.000 2.534 387 G HA2 -0.090 3.870 3.960 0.000 0.000 0.217 387 G HA3 -0.090 3.870 3.960 0.000 0.000 0.217 387 G C 1.629 176.604 174.900 0.124 0.000 1.128 387 G CA 0.684 45.856 45.100 0.121 0.000 0.784 387 G HN 0.393 nan 8.290 nan 0.000 0.542 388 G N -0.303 108.562 108.800 0.109 0.000 2.598 388 G HA2 0.075 4.035 3.960 0.000 0.000 0.215 388 G HA3 0.075 4.035 3.960 0.000 0.000 0.215 388 G C 1.257 176.085 174.900 -0.119 0.000 1.131 388 G CA 0.277 45.331 45.100 -0.077 0.000 0.785 388 G HN 0.371 nan 8.290 nan 0.000 0.539 389 F N 0.156 120.101 119.950 -0.008 0.000 2.399 389 F HA 0.419 4.946 4.527 0.000 0.000 0.282 389 F C 1.511 177.374 175.800 0.105 0.000 1.027 389 F CA 0.822 58.785 58.000 -0.063 0.000 1.333 389 F CB 0.336 39.077 39.000 -0.431 0.000 1.132 389 F HN 0.226 nan 8.300 nan 0.000 0.590 390 G N 0.397 109.380 108.800 0.306 0.000 3.152 390 G HA2 -0.072 3.888 3.960 0.000 0.000 0.666 390 G HA3 -0.072 3.888 3.960 0.000 0.000 0.666 390 G C -0.023 174.963 174.900 0.143 0.000 1.205 390 G CA -0.545 44.733 45.100 0.297 0.000 1.178 390 G HN -0.022 nan 8.290 nan 0.000 0.510 391 M N 1.976 121.600 119.600 0.040 0.000 2.175 391 M HA 0.122 4.602 4.480 0.000 0.000 0.264 391 M C 2.592 178.854 176.300 -0.064 0.000 1.063 391 M CA 2.776 58.079 55.300 0.004 0.000 1.119 391 M CB -0.564 31.924 32.600 -0.187 0.000 1.377 391 M HN 0.801 nan 8.290 nan 0.000 0.415 392 G N -0.618 108.074 108.800 -0.181 0.000 2.434 392 G HA2 -0.236 3.724 3.960 0.000 0.000 0.214 392 G HA3 -0.236 3.724 3.960 0.000 0.000 0.214 392 G C 1.605 176.357 174.900 -0.246 0.000 1.202 392 G CA 0.979 45.839 45.100 -0.400 0.000 0.788 392 G HN 0.434 nan 8.290 nan 0.000 0.539 393 K N -0.719 119.671 120.400 -0.018 0.000 2.059 393 K HA -0.188 4.132 4.320 0.000 0.000 0.212 393 K C 1.667 178.355 176.600 0.147 0.000 1.050 393 K CA 1.438 57.777 56.287 0.086 0.000 0.927 393 K CB -0.294 32.324 32.500 0.197 0.000 0.714 393 K HN 0.381 nan 8.250 nan 0.000 0.447 394 Y N 0.643 120.949 120.300 0.010 0.000 2.495 394 Y HA 0.085 4.635 4.550 0.000 0.000 0.293 394 Y C 0.268 176.172 175.900 0.007 0.000 1.186 394 Y CA 0.041 58.174 58.100 0.055 0.000 1.266 394 Y CB -0.115 38.419 38.460 0.124 0.000 1.101 394 Y HN -0.082 nan 8.280 nan 0.000 0.517 395 T N 1.549 116.114 114.554 0.020 0.000 2.769 395 T HA 0.178 4.528 4.350 0.000 0.000 0.293 395 T C 0.563 175.239 174.700 -0.041 0.000 0.931 395 T CA -0.273 61.791 62.100 -0.059 0.000 1.139 395 T CB -0.035 68.659 68.868 -0.291 0.000 0.881 395 T HN 0.412 nan 8.240 nan 0.000 0.532 396 T N 4.559 119.108 114.554 -0.009 0.000 2.918 396 T HA 0.563 4.913 4.350 0.000 0.000 0.283 396 T C -2.688 172.010 174.700 -0.003 0.000 1.001 396 T CA -1.986 60.114 62.100 -0.000 0.000 1.041 396 T CB 0.844 69.718 68.868 0.010 0.000 1.028 396 T HN 0.319 nan 8.240 nan 0.000 0.511 397 P HA 0.244 nan 4.420 nan 0.000 0.269 397 P C -0.611 176.708 177.300 0.031 0.000 1.209 397 P CA -0.387 62.736 63.100 0.038 0.000 0.776 397 P CB 0.344 32.072 31.700 0.048 0.000 0.876 398 L N 2.404 123.669 121.223 0.071 0.000 2.290 398 L HA 0.219 4.559 4.340 0.000 0.000 0.284 398 L C 0.538 177.442 176.870 0.057 0.000 1.078 398 L CA -0.132 54.765 54.840 0.094 0.000 0.815 398 L CB 0.506 42.686 42.059 0.202 0.000 1.162 398 L HN 0.286 nan 8.230 nan 0.000 0.435 399 T N 4.192 118.744 114.554 -0.004 0.000 2.863 399 T HA 0.150 4.500 4.350 0.000 0.000 0.299 399 T C 0.297 174.918 174.700 -0.132 0.000 0.973 399 T CA -0.645 61.407 62.100 -0.080 0.000 0.994 399 T CB -0.316 68.505 68.868 -0.078 0.000 0.961 399 T HN 0.416 nan 8.240 nan 0.000 0.552 400 R N 2.339 122.687 120.500 -0.253 0.000 2.486 400 R HA 0.266 4.606 4.340 0.000 0.000 0.303 400 R C 1.206 177.141 176.300 -0.608 0.000 0.958 400 R CA 0.481 56.365 56.100 -0.359 0.000 1.077 400 R CB -0.563 29.341 30.300 -0.659 0.000 0.921 400 R HN 0.907 nan 8.270 nan 0.000 0.406 401 G N 1.066 109.493 108.800 -0.623 0.000 2.195 401 G HA2 -0.260 3.700 3.960 0.000 0.000 0.224 401 G HA3 -0.260 3.700 3.960 0.000 0.000 0.224 401 G C 0.290 174.961 174.900 -0.381 0.000 0.990 401 G CA 0.074 44.577 45.100 -0.994 0.000 0.639 401 G HN 0.474 nan 8.290 nan 0.000 0.514 402 V N 0.027 119.787 119.914 -0.257 0.000 3.668 402 V HA 0.199 4.319 4.120 0.000 0.000 0.199 402 V C 2.034 178.045 176.094 -0.138 0.000 1.241 402 V CA 1.391 63.598 62.300 -0.154 0.000 1.308 402 V CB -0.215 31.533 31.823 -0.126 0.000 1.411 402 V HN 0.097 nan 8.190 nan 0.000 0.535 403 D N 0.228 120.561 120.400 -0.112 0.000 2.182 403 D HA -0.059 4.581 4.640 0.000 0.000 0.201 403 D C 0.475 176.709 176.300 -0.110 0.000 0.986 403 D CA 1.226 55.172 54.000 -0.090 0.000 0.847 403 D CB -0.093 40.685 40.800 -0.037 0.000 0.942 403 D HN 0.459 nan 8.370 nan 0.000 0.467 404 c N -1.475 117.043 118.600 -0.137 0.000 3.318 404 c HA 0.415 4.985 4.570 0.000 0.000 0.322 404 c C -2.513 171.384 174.090 -0.321 0.000 1.398 404 c CA -1.679 54.458 56.329 -0.320 0.000 1.339 404 c CB 1.687 44.002 42.510 -0.326 0.000 1.668 404 c HN -0.029 nan 8.230 nan 0.000 0.462 405 P HA 0.137 nan 4.420 nan 0.000 0.270 405 P C -0.077 177.229 177.300 0.009 0.000 1.223 405 P CA 0.210 63.172 63.100 -0.231 0.000 0.785 405 P CB 0.311 31.836 31.700 -0.292 0.000 0.923 406 Y N 0.626 120.962 120.300 0.061 0.000 2.070 406 Y HA -0.127 4.423 4.550 0.000 0.000 0.280 406 Y C 1.587 177.607 175.900 0.201 0.000 1.148 406 Y CA 1.321 59.490 58.100 0.115 0.000 1.125 406 Y CB -0.501 38.005 38.460 0.077 0.000 0.975 406 Y HN 0.197 nan 8.280 nan 0.000 0.492 407 L N 1.334 122.792 121.223 0.390 0.000 2.376 407 L HA 0.227 4.567 4.340 0.000 0.000 0.250 407 L C -0.052 177.046 176.870 0.379 0.000 1.335 407 L CA -0.394 54.665 54.840 0.365 0.000 1.214 407 L CB -1.090 41.233 42.059 0.439 0.000 1.395 407 L HN 0.139 nan 8.230 nan 0.000 0.424 408 A N 0.854 123.878 122.820 0.340 0.000 2.435 408 A HA 0.733 5.053 4.320 0.000 0.000 0.296 408 A C -0.291 177.430 177.584 0.228 0.000 1.147 408 A CA -0.464 51.730 52.037 0.262 0.000 0.775 408 A CB 1.468 20.417 19.000 -0.086 0.000 1.340 408 A HN 0.213 nan 8.150 nan 0.000 0.427 409 T N 1.532 116.200 114.554 0.191 0.000 2.744 409 T HA 0.512 4.862 4.350 0.000 0.000 0.291 409 T C -1.285 173.449 174.700 0.057 0.000 0.957 409 T CA 0.593 62.806 62.100 0.188 0.000 1.002 409 T CB -0.256 68.745 68.868 0.222 0.000 0.919 409 T HN 0.326 nan 8.240 nan 0.000 0.468 410 Y N 2.053 122.447 120.300 0.156 0.000 2.330 410 Y HA 0.562 5.112 4.550 0.000 0.000 0.336 410 Y C 0.260 176.273 175.900 0.188 0.000 1.036 410 Y CA -0.842 57.353 58.100 0.158 0.000 1.125 410 Y CB 1.110 39.638 38.460 0.113 0.000 1.194 410 Y HN 0.302 nan 8.280 nan 0.000 0.469 411 V N 2.729 122.858 119.914 0.359 0.000 2.919 411 V HA 0.446 4.566 4.120 0.000 0.000 0.316 411 V C -0.600 175.749 176.094 0.426 0.000 1.077 411 V CA -0.965 61.568 62.300 0.389 0.000 0.977 411 V CB 2.124 34.219 31.823 0.455 0.000 1.039 411 V HN 0.635 nan 8.190 nan 0.000 0.441 412 D N -0.087 120.531 120.400 0.364 0.000 2.487 412 D HA 0.608 5.248 4.640 0.000 0.000 0.262 412 D C -1.367 175.157 176.300 0.374 0.000 1.130 412 D CA -0.023 54.158 54.000 0.303 0.000 1.038 412 D CB 1.556 42.468 40.800 0.185 0.000 1.142 412 D HN 0.565 nan 8.370 nan 0.000 0.575 413 W N 0.667 121.965 121.300 -0.003 0.000 3.211 413 W HA 0.283 4.943 4.660 0.000 0.000 0.335 413 W C -1.355 175.143 176.519 -0.035 0.000 1.113 413 W CA -0.410 56.937 57.345 0.004 0.000 1.235 413 W CB 0.785 30.377 29.460 0.220 0.000 1.365 413 W HN 0.294 nan 8.180 nan 0.000 0.476 414 H N 5.501 124.418 119.070 -0.256 0.000 2.479 414 H HA 0.685 5.241 4.556 0.000 0.000 0.335 414 H C -0.624 174.280 175.328 -0.707 0.000 1.142 414 H CA -0.524 55.293 56.048 -0.386 0.000 1.234 414 H CB 1.402 31.000 29.762 -0.274 0.000 1.503 414 H HN 0.370 nan 8.280 nan 0.000 0.510 415 F N 0.142 119.823 119.950 -0.449 0.000 2.665 415 F HA 0.388 4.915 4.527 0.000 0.000 0.308 415 F C -1.993 173.661 175.800 -0.244 0.000 1.112 415 F CA -1.237 56.456 58.000 -0.513 0.000 0.972 415 F CB 1.007 39.592 39.000 -0.693 0.000 1.295 415 F HN 0.241 nan 8.300 nan 0.000 0.440 416 L N 4.439 125.615 121.223 -0.078 0.000 2.408 416 L HA 0.651 4.991 4.340 0.000 0.000 0.257 416 L C -1.652 175.222 176.870 0.006 0.000 1.053 416 L CA -0.646 54.152 54.840 -0.071 0.000 0.922 416 L CB 0.712 42.716 42.059 -0.091 0.000 1.261 416 L HN 0.753 nan 8.230 nan 0.000 0.458 417 L N 2.880 124.173 121.223 0.116 0.000 2.362 417 L HA 0.456 4.796 4.340 0.000 0.000 0.271 417 L C 0.800 177.628 176.870 -0.070 0.000 1.002 417 L CA -0.754 54.056 54.840 -0.049 0.000 0.818 417 L CB 1.933 43.978 42.059 -0.024 0.000 1.298 417 L HN 0.445 nan 8.230 nan 0.000 0.420 418 E N 0.629 120.660 120.200 -0.281 0.000 2.360 418 E HA -0.268 4.082 4.350 0.000 0.000 0.236 418 E C -0.195 176.413 176.600 0.012 0.000 1.312 418 E CA 0.917 57.229 56.400 -0.146 0.000 0.714 418 E CB -0.484 29.142 29.700 -0.123 0.000 1.202 418 E HN 0.505 nan 8.360 nan 0.000 0.386 419 S N -1.899 113.799 115.700 -0.003 0.000 2.794 419 S HA 0.398 4.868 4.470 0.000 0.000 0.299 419 S C 0.016 174.610 174.600 -0.010 0.000 1.179 419 S CA -0.577 57.636 58.200 0.021 0.000 0.838 419 S CB 1.818 65.039 63.200 0.036 0.000 1.206 419 S HN 0.168 nan 8.310 nan 0.000 0.523 420 Q N -0.241 119.553 119.800 -0.010 0.000 2.185 420 Q HA 0.404 4.744 4.340 0.000 0.000 0.234 420 Q C -0.342 175.636 176.000 -0.037 0.000 0.819 420 Q CA -0.068 55.724 55.803 -0.018 0.000 0.961 420 Q CB 1.427 30.163 28.738 -0.004 0.000 1.140 420 Q HN 0.590 nan 8.270 nan 0.000 0.492 421 A N 2.894 125.683 122.820 -0.052 0.000 2.330 421 A HA 0.566 4.886 4.320 0.000 0.000 0.313 421 A C -2.599 174.896 177.584 -0.148 0.000 1.124 421 A CA -1.613 50.374 52.037 -0.084 0.000 0.774 421 A CB 0.868 19.829 19.000 -0.065 0.000 1.198 421 A HN -0.144 nan 8.150 nan 0.000 0.465 422 P HA 0.313 nan 4.420 nan 0.000 0.276 422 P C -0.784 176.262 177.300 -0.424 0.000 1.230 422 P CA 0.092 62.986 63.100 -0.344 0.000 0.776 422 P CB 1.107 32.637 31.700 -0.283 0.000 0.888 423 K N 1.169 121.101 120.400 -0.780 0.000 2.313 423 K HA 0.667 4.987 4.320 0.000 0.000 0.235 423 K C -0.101 176.111 176.600 -0.647 0.000 1.035 423 K CA -0.672 55.242 56.287 -0.621 0.000 0.868 423 K CB 1.375 33.600 32.500 -0.458 0.000 1.232 423 K HN 0.318 nan 8.250 nan 0.000 0.459 424 T N 0.723 115.202 114.554 -0.126 0.000 2.887 424 T HA 0.511 4.861 4.350 0.000 0.000 0.288 424 T C -0.409 174.481 174.700 0.317 0.000 1.021 424 T CA -0.694 61.498 62.100 0.153 0.000 1.000 424 T CB 0.846 69.860 68.868 0.243 0.000 1.034 424 T HN 0.315 nan 8.240 nan 0.000 0.467 425 I N 2.686 123.504 120.570 0.413 0.000 2.354 425 I HA 0.350 4.520 4.170 0.000 0.000 0.286 425 I C 0.556 176.824 176.117 0.252 0.000 1.007 425 I CA -0.792 60.714 61.300 0.343 0.000 1.167 425 I CB 1.136 39.360 38.000 0.372 0.000 1.320 425 I HN 0.350 nan 8.210 nan 0.000 0.458 426 R N 5.182 125.794 120.500 0.187 0.000 2.543 426 R HA 0.091 4.431 4.340 0.000 0.000 0.277 426 R C -0.363 176.038 176.300 0.168 0.000 1.074 426 R CA -0.276 55.924 56.100 0.166 0.000 1.076 426 R CB 0.253 30.623 30.300 0.117 0.000 0.993 426 R HN 0.577 nan 8.270 nan 0.000 0.459 427 D N 1.112 121.645 120.400 0.222 0.000 2.697 427 D HA -0.228 4.412 4.640 0.000 0.000 0.235 427 D C 0.646 177.062 176.300 0.193 0.000 1.167 427 D CA 1.169 55.347 54.000 0.296 0.000 0.656 427 D CB -1.138 39.834 40.800 0.286 0.000 1.025 427 D HN 0.732 nan 8.370 nan 0.000 0.419 428 A N -0.845 122.049 122.820 0.124 0.000 1.872 428 A HA 0.148 4.468 4.320 0.000 0.000 0.214 428 A C 0.776 178.163 177.584 -0.328 0.000 1.187 428 A CA 0.767 52.710 52.037 -0.158 0.000 0.614 428 A CB 0.077 18.901 19.000 -0.294 0.000 0.826 428 A HN 0.225 nan 8.150 nan 0.000 0.442 429 F N -1.176 118.805 119.950 0.053 0.000 2.483 429 F HA 0.533 5.060 4.527 0.000 0.000 0.329 429 F C 0.371 176.112 175.800 -0.098 0.000 1.064 429 F CA -1.090 56.871 58.000 -0.066 0.000 0.986 429 F CB 1.381 40.258 39.000 -0.206 0.000 1.218 429 F HN 0.303 nan 8.300 nan 0.000 0.484 430 c N 0.806 119.412 118.600 0.009 0.000 2.551 430 c HA 0.910 5.480 4.570 0.000 0.000 0.332 430 c C -1.227 172.849 174.090 -0.022 0.000 1.139 430 c CA -0.899 55.306 56.329 -0.207 0.000 1.328 430 c CB 0.348 42.572 42.510 -0.477 0.000 1.903 430 c HN 0.653 nan 8.230 nan 0.000 0.459 431 V N 4.535 124.460 119.914 0.018 0.000 2.604 431 V HA 0.922 5.042 4.120 0.000 0.000 0.305 431 V C -0.135 176.104 176.094 0.243 0.000 1.043 431 V CA -0.127 62.192 62.300 0.031 0.000 0.888 431 V CB 1.396 33.229 31.823 0.016 0.000 0.995 431 V HN 1.063 nan 8.190 nan 0.000 0.429 432 F N 0.866 120.713 119.950 -0.172 0.000 3.052 432 F HA 0.770 5.297 4.527 0.000 0.000 0.323 432 F C -0.907 174.778 175.800 -0.192 0.000 1.178 432 F CA -1.095 56.912 58.000 0.012 0.000 0.892 432 F CB 1.796 40.891 39.000 0.159 0.000 1.416 432 F HN 0.436 nan 8.300 nan 0.000 0.488 433 E N 0.606 120.964 120.200 0.264 0.000 2.222 433 E HA 0.461 4.811 4.350 0.000 0.000 0.267 433 E C -1.875 174.778 176.600 0.088 0.000 0.884 433 E CA -0.887 55.519 56.400 0.009 0.000 0.764 433 E CB 2.046 31.862 29.700 0.193 0.000 1.169 433 E HN 0.604 nan 8.360 nan 0.000 0.413 434 Q N 3.130 122.926 119.800 -0.006 0.000 2.320 434 Q HA 0.244 4.584 4.340 0.000 0.000 0.268 434 Q C -1.384 174.617 176.000 0.000 0.000 1.023 434 Q CA -0.754 55.088 55.803 0.065 0.000 0.744 434 Q CB 0.996 29.834 28.738 0.167 0.000 1.246 434 Q HN 0.506 nan 8.270 nan 0.000 0.462 435 N N 3.010 121.692 118.700 -0.030 0.000 2.434 435 N HA -0.051 4.689 4.740 0.000 0.000 0.268 435 N C 0.319 175.838 175.510 0.014 0.000 1.256 435 N CA 0.405 53.442 53.050 -0.021 0.000 0.914 435 N CB 0.864 39.319 38.487 -0.054 0.000 1.088 435 N HN 0.543 nan 8.380 nan 0.000 0.478 436 Q N 3.461 123.281 119.800 0.032 0.000 2.291 436 Q HA 0.038 4.379 4.340 0.000 0.000 0.205 436 Q C 1.068 177.094 176.000 0.043 0.000 0.970 436 Q CA 1.118 56.950 55.803 0.047 0.000 0.876 436 Q CB -0.300 28.480 28.738 0.070 0.000 0.935 436 Q HN 0.955 nan 8.270 nan 0.000 0.455 437 G N 1.075 109.898 108.800 0.038 0.000 2.147 437 G HA2 -0.262 3.698 3.960 0.000 0.000 0.244 437 G HA3 -0.262 3.698 3.960 0.000 0.000 0.244 437 G C -0.333 174.593 174.900 0.042 0.000 1.005 437 G CA 0.581 45.702 45.100 0.035 0.000 0.713 437 G HN 0.307 nan 8.290 nan 0.000 0.515 438 L N 0.433 121.688 121.223 0.053 0.000 2.482 438 L HA 0.747 5.087 4.340 0.000 0.000 0.263 438 L C -2.284 174.628 176.870 0.070 0.000 0.957 438 L CA -2.038 52.836 54.840 0.057 0.000 0.836 438 L CB 2.352 44.443 42.059 0.054 0.000 1.324 438 L HN -0.078 nan 8.230 nan 0.000 0.406 439 P HA 0.075 nan 4.420 nan 0.000 0.272 439 P C 0.075 177.420 177.300 0.074 0.000 1.223 439 P CA -0.325 62.828 63.100 0.087 0.000 0.784 439 P CB 1.503 33.267 31.700 0.107 0.000 0.923 440 L N 2.239 123.508 121.223 0.077 0.000 2.145 440 L HA 0.104 4.444 4.340 0.000 0.000 0.201 440 L C 1.073 177.969 176.870 0.043 0.000 1.075 440 L CA 1.600 56.482 54.840 0.069 0.000 0.773 440 L CB -0.239 41.873 42.059 0.089 0.000 0.936 440 L HN 0.490 nan 8.230 nan 0.000 0.451 441 R N -0.582 119.943 120.500 0.041 0.000 2.771 441 R HA 0.717 5.057 4.340 0.000 0.000 0.274 441 R C -0.959 175.348 176.300 0.012 0.000 0.987 441 R CA -0.886 55.225 56.100 0.019 0.000 0.908 441 R CB 1.171 31.478 30.300 0.011 0.000 1.213 441 R HN -0.050 nan 8.270 nan 0.000 0.468 442 R N 2.179 122.677 120.500 -0.003 0.000 3.262 442 R HA 0.162 4.502 4.340 0.000 0.000 0.270 442 R C -2.198 174.100 176.300 -0.004 0.000 1.147 442 R CA -0.577 55.497 56.100 -0.043 0.000 1.189 442 R CB 1.019 31.361 30.300 0.070 0.000 1.271 442 R HN 0.986 nan 8.270 nan 0.000 0.447 443 H N 2.227 121.124 119.070 -0.287 0.000 2.689 443 H HA 0.448 5.004 4.556 0.000 0.000 0.346 443 H C -1.624 173.561 175.328 -0.238 0.000 1.037 443 H CA -0.329 55.614 56.048 -0.176 0.000 1.234 443 H CB 1.156 30.857 29.762 -0.101 0.000 1.572 443 H HN 0.673 nan 8.280 nan 0.000 0.524 444 H N 2.872 121.593 119.070 -0.582 0.000 2.638 444 H HA 0.432 4.988 4.556 0.000 0.000 0.317 444 H C -0.951 173.908 175.328 -0.782 0.000 1.006 444 H CA -0.357 55.494 56.048 -0.328 0.000 1.222 444 H CB 1.005 30.775 29.762 0.012 0.000 1.419 444 H HN 0.481 nan 8.280 nan 0.000 0.489 445 S N 3.251 118.307 115.700 -1.075 0.000 2.442 445 S HA 0.189 4.659 4.470 0.000 0.000 0.297 445 S C -0.106 174.080 174.600 -0.690 0.000 1.131 445 S CA -0.602 57.059 58.200 -0.899 0.000 1.092 445 S CB 0.556 62.996 63.200 -1.268 0.000 0.998 445 S HN 0.819 nan 8.310 nan 0.000 0.478 446 D N 3.061 123.112 120.400 -0.581 0.000 2.520 446 D HA 0.172 4.812 4.640 0.000 0.000 0.223 446 D C -0.642 175.172 176.300 -0.809 0.000 1.186 446 D CA -0.038 53.453 54.000 -0.850 0.000 0.821 446 D CB 0.593 41.205 40.800 -0.313 0.000 1.072 446 D HN 0.401 nan 8.370 nan 0.000 0.518 447 L N 0.642 121.561 121.223 -0.506 0.000 2.280 447 L HA 0.250 4.590 4.340 0.000 0.000 0.287 447 L C 0.274 177.021 176.870 -0.205 0.000 1.023 447 L CA -0.023 54.567 54.840 -0.417 0.000 0.819 447 L CB 0.260 42.035 42.059 -0.474 0.000 1.212 447 L HN 0.141 nan 8.230 nan 0.000 0.420 448 Y N 0.888 121.205 120.300 0.028 0.000 2.765 448 Y HA -0.409 4.141 4.550 0.000 0.000 0.475 448 Y C 0.881 176.892 175.900 0.186 0.000 1.140 448 Y CA 1.083 59.243 58.100 0.101 0.000 2.801 448 Y CB -1.494 37.015 38.460 0.081 0.000 1.100 448 Y HN 0.633 nan 8.280 nan 0.000 0.598 449 S N 1.215 117.148 115.700 0.388 0.000 2.474 449 S HA 0.318 4.788 4.470 0.000 0.000 0.321 449 S C -0.828 173.977 174.600 0.342 0.000 1.080 449 S CA -0.561 57.876 58.200 0.396 0.000 1.106 449 S CB 0.227 63.666 63.200 0.397 0.000 0.984 449 S HN 0.280 nan 8.310 nan 0.000 0.464 450 H N 5.812 124.942 119.070 0.101 0.000 3.014 450 H HA 0.218 4.774 4.556 0.000 0.000 0.266 450 H C -0.539 174.733 175.328 -0.093 0.000 1.455 450 H CA -0.107 55.893 56.048 -0.080 0.000 1.402 450 H CB -0.286 29.447 29.762 -0.049 0.000 1.626 450 H HN 0.669 nan 8.280 nan 0.000 0.520 451 Y N 0.933 121.183 120.300 -0.084 0.000 2.659 451 Y HA 0.625 5.175 4.550 0.000 0.000 0.333 451 Y C -1.357 174.321 175.900 -0.370 0.000 1.064 451 Y CA -1.882 56.092 58.100 -0.210 0.000 1.141 451 Y CB 1.476 39.905 38.460 -0.051 0.000 1.316 451 Y HN 0.197 nan 8.280 nan 0.000 0.509 452 F N 0.187 119.723 119.950 -0.689 0.000 2.604 452 F HA 0.762 5.289 4.527 0.000 0.000 0.316 452 F C -0.975 174.536 175.800 -0.482 0.000 1.136 452 F CA -0.822 56.731 58.000 -0.745 0.000 0.989 452 F CB 2.213 40.535 39.000 -1.130 0.000 1.258 452 F HN 0.935 nan 8.300 nan 0.000 0.451 453 G N 2.637 110.809 108.800 -1.046 0.000 2.739 453 G HA2 0.613 4.573 3.960 0.000 0.000 0.291 453 G HA3 0.613 4.573 3.960 0.000 0.000 0.291 453 G C -1.228 173.216 174.900 -0.760 0.000 1.478 453 G CA -0.310 44.495 45.100 -0.492 0.000 1.062 453 G HN 1.125 nan 8.290 nan 0.000 0.532 454 G N -0.595 107.976 108.800 -0.383 0.000 2.827 454 G HA2 0.791 4.751 3.960 0.000 0.000 0.296 454 G HA3 0.791 4.751 3.960 0.000 0.000 0.296 454 G C -1.868 173.074 174.900 0.069 0.000 1.362 454 G CA -0.900 44.122 45.100 -0.129 0.000 0.809 454 G HN 1.489 nan 8.290 nan 0.000 0.522 455 L N -0.122 121.165 121.223 0.107 0.000 2.929 455 L HA 0.637 4.977 4.340 0.000 0.000 0.246 455 L C 0.106 177.040 176.870 0.108 0.000 0.960 455 L CA -0.208 54.696 54.840 0.108 0.000 1.056 455 L CB 0.626 42.733 42.059 0.080 0.000 1.437 455 L HN 1.199 nan 8.230 nan 0.000 0.514 456 A N 3.171 126.061 122.820 0.116 0.000 2.520 456 A HA 0.371 4.691 4.320 0.000 0.000 0.245 456 A C 0.353 177.989 177.584 0.087 0.000 1.072 456 A CA 0.152 52.247 52.037 0.097 0.000 0.761 456 A CB 0.159 19.210 19.000 0.086 0.000 1.004 456 A HN 0.754 nan 8.150 nan 0.000 0.499 457 E N 1.803 122.056 120.200 0.089 0.000 2.360 457 E HA 0.324 4.674 4.350 0.000 0.000 0.269 457 E C -0.728 175.919 176.600 0.079 0.000 1.022 457 E CA 0.007 56.468 56.400 0.101 0.000 0.887 457 E CB 0.528 30.306 29.700 0.129 0.000 0.990 457 E HN 0.518 nan 8.360 nan 0.000 0.426 458 T N 4.056 118.658 114.554 0.080 0.000 2.841 458 T HA 0.401 4.751 4.350 0.000 0.000 0.285 458 T C -0.769 173.957 174.700 0.044 0.000 0.991 458 T CA -0.662 61.464 62.100 0.043 0.000 0.966 458 T CB 1.220 70.109 68.868 0.036 0.000 0.962 458 T HN 0.454 nan 8.240 nan 0.000 0.438 459 V N 1.984 121.881 119.914 -0.029 0.000 3.019 459 V HA 0.908 5.028 4.120 0.000 0.000 0.317 459 V C -1.043 174.937 176.094 -0.190 0.000 1.094 459 V CA -1.153 61.075 62.300 -0.121 0.000 1.000 459 V CB 1.820 33.462 31.823 -0.301 0.000 1.060 459 V HN 0.656 nan 8.190 nan 0.000 0.443 460 L N 2.787 123.871 121.223 -0.232 0.000 2.329 460 L HA 0.861 5.201 4.340 0.000 0.000 0.279 460 L C -0.521 176.098 176.870 -0.417 0.000 1.014 460 L CA -0.064 54.569 54.840 -0.345 0.000 0.814 460 L CB 1.650 43.564 42.059 -0.242 0.000 1.257 460 L HN 0.722 nan 8.230 nan 0.000 0.424 461 V N 4.616 124.120 119.914 -0.684 0.000 2.876 461 V HA 0.683 4.803 4.120 0.000 0.000 0.312 461 V C -0.890 174.922 176.094 -0.470 0.000 1.085 461 V CA -0.804 61.105 62.300 -0.651 0.000 0.945 461 V CB 2.160 33.345 31.823 -1.062 0.000 1.017 461 V HN 0.470 nan 8.190 nan 0.000 0.428 462 V N 3.628 123.403 119.914 -0.232 0.000 2.525 462 V HA 0.642 4.762 4.120 0.000 0.000 0.299 462 V C -0.268 175.797 176.094 -0.047 0.000 1.034 462 V CA -0.569 61.654 62.300 -0.128 0.000 0.863 462 V CB 1.701 33.483 31.823 -0.068 0.000 0.999 462 V HN 0.931 nan 8.190 nan 0.000 0.423 463 R N 2.815 123.328 120.500 0.022 0.000 2.744 463 R HA 0.834 5.174 4.340 0.000 0.000 0.279 463 R C -1.019 175.325 176.300 0.073 0.000 0.977 463 R CA -0.210 55.939 56.100 0.081 0.000 0.906 463 R CB 2.238 32.606 30.300 0.113 0.000 1.197 463 R HN 0.761 nan 8.270 nan 0.000 0.463 464 S N 3.288 119.045 115.700 0.096 0.000 2.579 464 S HA 0.633 5.103 4.470 0.000 0.000 0.272 464 S C -1.370 173.295 174.600 0.109 0.000 1.141 464 S CA -0.804 57.400 58.200 0.008 0.000 0.843 464 S CB 1.578 64.729 63.200 -0.082 0.000 1.122 464 S HN 0.597 nan 8.310 nan 0.000 0.468 465 M N 2.884 122.503 119.600 0.031 0.000 2.213 465 M HA 0.395 4.875 4.480 0.000 0.000 0.286 465 M C -1.140 175.205 176.300 0.076 0.000 1.008 465 M CA -0.426 54.886 55.300 0.020 0.000 0.937 465 M CB 2.381 34.954 32.600 -0.044 0.000 1.600 465 M HN 0.591 nan 8.290 nan 0.000 0.450 466 S N 1.287 117.102 115.700 0.191 0.000 2.475 466 S HA 0.605 5.075 4.470 0.000 0.000 0.298 466 S C -0.361 174.354 174.600 0.191 0.000 1.119 466 S CA -0.625 57.732 58.200 0.261 0.000 1.085 466 S CB 1.583 65.071 63.200 0.480 0.000 1.028 466 S HN 0.607 nan 8.310 nan 0.000 0.489 467 T N 3.570 118.234 114.554 0.183 0.000 2.977 467 T HA 0.344 4.694 4.350 0.000 0.000 0.346 467 T C -0.355 174.494 174.700 0.248 0.000 1.140 467 T CA -0.377 61.792 62.100 0.114 0.000 1.040 467 T CB -0.164 68.742 68.868 0.064 0.000 1.046 467 T HN 0.374 nan 8.240 nan 0.000 0.494 468 L N 5.583 126.874 121.223 0.115 0.000 2.312 468 L HA 0.361 4.701 4.340 0.000 0.000 0.287 468 L C 1.124 177.922 176.870 -0.120 0.000 1.091 468 L CA -0.323 54.519 54.840 0.003 0.000 0.846 468 L CB -0.091 41.824 42.059 -0.239 0.000 1.219 468 L HN 0.664 nan 8.230 nan 0.000 0.439 469 L N 0.573 121.845 121.223 0.082 0.000 4.047 469 L HA -0.422 3.918 4.340 0.000 0.000 0.053 469 L C 1.062 177.829 176.870 -0.171 0.000 3.917 469 L CA 1.778 56.653 54.840 0.059 0.000 1.105 469 L CB -1.223 40.812 42.059 -0.041 0.000 3.274 469 L HN 0.930 nan 8.230 nan 0.000 0.827 473 Y N 0.438 120.570 120.300 -0.281 0.000 2.320 473 Y HA 0.524 5.074 4.550 0.000 0.000 0.334 473 Y C 0.279 175.700 175.900 -0.799 0.000 1.055 473 Y CA -0.932 56.813 58.100 -0.591 0.000 1.143 473 Y CB 1.325 39.220 38.460 -0.940 0.000 1.193 473 Y HN 0.139 nan 8.280 nan 0.000 0.477 474 V N 3.548 123.200 119.914 -0.438 0.000 2.333 474 V HA 0.150 4.270 4.120 0.000 0.000 0.274 474 V C -0.983 174.975 176.094 -0.227 0.000 1.028 474 V CA -1.120 61.003 62.300 -0.295 0.000 0.851 474 V CB -0.078 31.656 31.823 -0.148 0.000 1.000 474 V HN 0.671 nan 8.190 nan 0.000 0.456 475 W N 3.045 124.443 121.300 0.164 0.000 2.316 475 W HA 0.575 5.235 4.660 0.000 0.000 0.308 475 W C -0.028 176.528 176.519 0.062 0.000 1.106 475 W CA -0.509 56.914 57.345 0.130 0.000 1.262 475 W CB 0.883 30.366 29.460 0.038 0.000 1.233 475 W HN 0.397 nan 8.180 nan 0.000 0.447 476 D N 1.316 121.869 120.400 0.254 0.000 2.269 476 D HA 0.485 5.125 4.640 0.000 0.000 0.244 476 D C -0.703 175.537 176.300 -0.100 0.000 0.992 476 D CA -0.452 53.585 54.000 0.062 0.000 0.894 476 D CB 2.268 43.107 40.800 0.064 0.000 1.248 476 D HN 0.168 nan 8.370 nan 0.000 0.468 477 T N 0.537 114.962 114.554 -0.215 0.000 3.355 477 T HA 0.401 4.751 4.350 0.000 0.000 0.324 477 T C -1.649 172.734 174.700 -0.528 0.000 0.932 477 T CA -0.537 61.306 62.100 -0.428 0.000 1.032 477 T CB 0.090 68.728 68.868 -0.382 0.000 1.027 477 T HN 0.028 nan 8.240 nan 0.000 0.456 478 V N 6.060 125.590 119.914 -0.640 0.000 2.417 478 V HA 0.644 4.764 4.120 0.000 0.000 0.291 478 V C -0.695 174.876 176.094 -0.872 0.000 1.024 478 V CA -0.813 61.114 62.300 -0.621 0.000 0.861 478 V CB 1.083 32.613 31.823 -0.489 0.000 0.985 478 V HN 0.808 nan 8.190 nan 0.000 0.436 479 F N 3.547 123.045 119.950 -0.754 0.000 2.404 479 F HA 0.530 5.057 4.527 0.000 0.000 0.354 479 F C 0.759 176.320 175.800 -0.399 0.000 1.122 479 F CA -0.470 56.964 58.000 -0.944 0.000 1.080 479 F CB 0.688 38.534 39.000 -1.923 0.000 1.131 479 F HN 0.476 nan 8.300 nan 0.000 0.471 480 H N 4.099 123.316 119.070 0.245 0.000 2.502 480 H HA 0.193 4.749 4.556 0.000 0.000 0.338 480 H C -1.662 174.031 175.328 0.609 0.000 1.155 480 H CA -1.772 54.487 56.048 0.352 0.000 1.237 480 H CB 1.720 31.605 29.762 0.206 0.000 1.534 480 H HN 0.321 nan 8.280 nan 0.000 0.523 481 P HA -0.115 nan 4.420 nan 0.000 0.236 481 P C 1.003 178.532 177.300 0.381 0.000 1.172 481 P CA 0.898 64.277 63.100 0.465 0.000 0.759 481 P CB 0.187 32.062 31.700 0.292 0.000 0.843 482 S N -1.931 113.931 115.700 0.270 0.000 2.503 482 S HA 0.331 4.801 4.470 0.000 0.000 0.215 482 S C 1.584 176.056 174.600 -0.212 0.000 1.003 482 S CA 0.566 58.804 58.200 0.063 0.000 0.910 482 S CB -0.783 62.454 63.200 0.062 0.000 0.790 482 S HN 0.267 nan 8.310 nan 0.000 0.514 483 G N 0.686 109.273 108.800 -0.355 0.000 2.131 483 G HA2 0.088 4.048 3.960 0.000 0.000 0.201 483 G HA3 0.088 4.048 3.960 0.000 0.000 0.201 483 G C 0.006 175.007 174.900 0.168 0.000 1.000 483 G CA -0.262 44.391 45.100 -0.744 0.000 0.680 483 G HN 1.194 nan 8.290 nan 0.000 0.514 484 A N 0.180 123.175 122.820 0.291 0.000 2.304 484 A HA 0.845 5.165 4.320 0.000 0.000 0.323 484 A C 0.064 177.816 177.584 0.280 0.000 1.195 484 A CA -0.576 51.617 52.037 0.259 0.000 0.826 484 A CB 0.734 19.778 19.000 0.073 0.000 1.184 484 A HN 0.788 nan 8.150 nan 0.000 0.496 485 I N 2.124 122.776 120.570 0.136 0.000 2.382 485 I HA 0.323 4.493 4.170 0.000 0.000 0.286 485 I C 0.175 176.151 176.117 -0.236 0.000 1.002 485 I CA -0.265 60.892 61.300 -0.239 0.000 1.135 485 I CB 1.499 39.236 38.000 -0.438 0.000 1.288 485 I HN 0.753 nan 8.210 nan 0.000 0.448 486 E N 7.037 127.025 120.200 -0.353 0.000 2.231 486 E HA 0.478 4.829 4.350 0.000 0.000 0.277 486 E C -1.285 174.868 176.600 -0.745 0.000 0.999 486 E CA -0.664 55.349 56.400 -0.644 0.000 0.827 486 E CB 1.629 30.930 29.700 -0.666 0.000 1.101 486 E HN 0.403 nan 8.360 nan 0.000 0.393 487 I N 4.639 124.619 120.570 -0.984 0.000 2.439 487 I HA 0.398 4.568 4.170 0.000 0.000 0.285 487 I C -0.109 175.446 176.117 -0.937 0.000 1.021 487 I CA -0.426 60.276 61.300 -0.997 0.000 1.091 487 I CB 1.267 38.402 38.000 -1.442 0.000 1.242 487 I HN 0.540 nan 8.210 nan 0.000 0.439 488 R N 5.307 125.500 120.500 -0.513 0.000 2.795 488 R HA 0.721 5.061 4.340 0.000 0.000 0.275 488 R C -1.377 174.891 176.300 -0.054 0.000 0.981 488 R CA -0.756 55.106 56.100 -0.397 0.000 0.917 488 R CB 3.299 33.327 30.300 -0.453 0.000 1.202 488 R HN 0.484 nan 8.270 nan 0.000 0.469 489 F N 0.644 120.474 119.950 -0.201 0.000 2.578 489 F HA 0.601 5.128 4.527 0.000 0.000 0.311 489 F C -1.913 173.748 175.800 -0.233 0.000 1.094 489 F CA -1.007 56.981 58.000 -0.019 0.000 0.923 489 F CB 1.020 40.211 39.000 0.318 0.000 1.230 489 F HN 0.337 nan 8.300 nan 0.000 0.450 490 Y N 2.015 122.176 120.300 -0.232 0.000 2.630 490 Y HA 0.845 5.395 4.550 0.000 0.000 0.337 490 Y C -0.347 175.477 175.900 -0.128 0.000 1.051 490 Y CA -1.628 56.278 58.100 -0.324 0.000 1.121 490 Y CB 1.903 40.208 38.460 -0.258 0.000 1.299 490 Y HN 0.958 nan 8.280 nan 0.000 0.498 491 A N 0.834 123.656 122.820 0.003 0.000 2.319 491 A HA 0.732 5.052 4.320 0.000 0.000 0.310 491 A C -0.293 177.191 177.584 -0.167 0.000 1.152 491 A CA -0.303 51.647 52.037 -0.146 0.000 0.783 491 A CB 1.445 20.246 19.000 -0.332 0.000 1.184 491 A HN 0.736 nan 8.150 nan 0.000 0.474 492 T N 0.861 115.278 114.554 -0.227 0.000 2.572 492 T HA 0.798 5.148 4.350 0.000 0.000 0.274 492 T C 0.795 175.352 174.700 -0.238 0.000 0.949 492 T CA 1.143 63.122 62.100 -0.202 0.000 1.126 492 T CB 0.590 69.341 68.868 -0.194 0.000 1.478 492 T HN 2.630 nan 8.240 nan 0.000 0.492 493 G N 0.106 108.757 108.800 -0.248 0.000 2.498 493 G HA2 -0.164 3.796 3.960 0.000 0.000 0.251 493 G HA3 -0.164 3.796 3.960 0.000 0.000 0.251 493 G C -0.895 173.782 174.900 -0.372 0.000 1.170 493 G CA 0.335 45.266 45.100 -0.281 0.000 0.944 493 G HN 0.840 nan 8.290 nan 0.000 0.567 494 Y N 0.704 120.815 120.300 -0.315 0.000 2.519 494 Y HA 0.701 5.251 4.550 0.000 0.000 0.324 494 Y C 1.358 177.025 175.900 -0.389 0.000 1.214 494 Y CA -0.245 57.645 58.100 -0.350 0.000 1.260 494 Y CB 1.085 39.268 38.460 -0.461 0.000 1.311 494 Y HN 0.722 nan 8.280 nan 0.000 0.505 495 I N -1.956 118.555 120.570 -0.099 0.000 3.205 495 I HA 0.648 4.818 4.170 0.000 0.000 0.310 495 I C -0.574 175.427 176.117 -0.193 0.000 1.089 495 I CA -1.007 60.228 61.300 -0.109 0.000 1.023 495 I CB 1.576 39.570 38.000 -0.010 0.000 1.269 495 I HN 0.255 nan 8.210 nan 0.000 0.512 496 S N 1.146 116.772 115.700 -0.124 0.000 2.442 496 S HA 0.517 4.988 4.470 0.000 0.000 0.297 496 S C -0.221 174.374 174.600 -0.009 0.000 1.131 496 S CA -0.631 57.490 58.200 -0.131 0.000 1.092 496 S CB 1.130 64.170 63.200 -0.268 0.000 0.998 496 S HN 0.804 nan 8.310 nan 0.000 0.478 497 S N 2.462 118.196 115.700 0.057 0.000 2.689 497 S HA 0.962 5.432 4.470 0.000 0.000 0.306 497 S C -0.332 174.448 174.600 0.301 0.000 1.104 497 S CA -0.652 57.624 58.200 0.127 0.000 0.973 497 S CB 1.749 64.996 63.200 0.078 0.000 1.121 497 S HN 0.892 nan 8.310 nan 0.000 0.523 498 A N 0.561 123.544 122.820 0.273 0.000 2.504 498 A HA 0.771 5.091 4.320 0.000 0.000 0.285 498 A C -1.306 176.385 177.584 0.177 0.000 1.261 498 A CA -0.896 51.334 52.037 0.321 0.000 0.741 498 A CB 0.540 19.638 19.000 0.164 0.000 1.327 498 A HN 0.994 nan 8.150 nan 0.000 0.441 499 F N 0.446 120.279 119.950 -0.195 0.000 2.427 499 F HA 0.528 5.055 4.527 0.000 0.000 0.352 499 F C 0.012 175.934 175.800 0.203 0.000 1.100 499 F CA -0.458 57.519 58.000 -0.038 0.000 1.191 499 F CB 0.680 39.551 39.000 -0.215 0.000 1.128 499 F HN 0.527 nan 8.300 nan 0.000 0.533 500 L N 7.773 128.634 121.223 -0.603 0.000 2.417 500 L HA 0.487 4.827 4.340 0.000 0.000 0.268 500 L C -0.979 175.678 176.870 -0.355 0.000 1.158 500 L CA 0.007 54.612 54.840 -0.393 0.000 0.819 500 L CB 0.568 42.450 42.059 -0.295 0.000 1.112 500 L HN 0.640 nan 8.230 nan 0.000 0.458 501 F N 2.110 121.891 119.950 -0.281 0.000 2.780 501 F HA 0.572 5.099 4.527 0.000 0.000 0.320 501 F C -0.170 175.610 175.800 -0.033 0.000 1.118 501 F CA -0.405 57.509 58.000 -0.143 0.000 0.964 501 F CB -0.222 38.734 39.000 -0.073 0.000 1.249 501 F HN 0.994 nan 8.300 nan 0.000 0.455 502 G N 0.802 109.589 108.800 -0.021 0.000 2.693 502 G HA2 0.347 4.307 3.960 0.000 0.000 0.226 502 G HA3 0.347 4.307 3.960 0.000 0.000 0.226 502 G C -0.166 174.675 174.900 -0.099 0.000 1.354 502 G CA -0.020 45.039 45.100 -0.068 0.000 0.873 502 G HN 2.379 nan 8.290 nan 0.000 0.562 503 A N 0.142 122.923 122.820 -0.065 0.000 2.545 503 A HA 0.575 4.895 4.320 0.000 0.000 0.297 503 A C 0.859 178.403 177.584 -0.067 0.000 1.340 503 A CA 1.242 53.250 52.037 -0.048 0.000 1.016 503 A CB -0.444 18.543 19.000 -0.022 0.000 1.122 503 A HN 1.403 nan 8.150 nan 0.000 0.537 504 T N 1.969 116.477 114.554 -0.077 0.000 2.729 504 T HA 0.521 4.871 4.350 0.000 0.000 0.296 504 T C 1.242 175.902 174.700 -0.067 0.000 0.928 504 T CA 0.786 62.843 62.100 -0.071 0.000 1.045 504 T CB 0.948 69.769 68.868 -0.077 0.000 0.902 504 T HN 1.094 nan 8.240 nan 0.000 0.500 505 G N 2.639 111.384 108.800 -0.092 0.000 4.474 505 G HA2 -0.001 3.959 3.960 0.000 0.000 0.202 505 G HA3 -0.001 3.959 3.960 0.000 0.000 0.202 505 G C 0.832 175.610 174.900 -0.204 0.000 0.708 505 G CA -0.394 44.636 45.100 -0.117 0.000 0.806 505 G HN 0.566 nan 8.290 nan 0.000 0.508 506 K N -0.373 119.812 120.400 -0.357 0.000 2.354 506 K HA 0.299 4.619 4.320 0.000 0.000 0.194 506 K C 0.590 176.631 176.600 -0.932 0.000 1.038 506 K CA 0.303 56.183 56.287 -0.679 0.000 1.052 506 K CB 0.465 32.410 32.500 -0.925 0.000 0.861 506 K HN 0.380 nan 8.250 nan 0.000 0.535 507 Y N -0.136 120.122 120.300 -0.070 0.000 2.527 507 Y HA 0.316 4.866 4.550 0.000 0.000 0.247 507 Y C 0.739 176.608 175.900 -0.051 0.000 1.138 507 Y CA -0.340 57.724 58.100 -0.060 0.000 1.228 507 Y CB 1.771 40.188 38.460 -0.071 0.000 1.252 507 Y HN 0.049 nan 8.280 nan 0.000 0.531 508 G N -0.027 108.777 108.800 0.007 0.000 2.369 508 G HA2 -0.009 3.951 3.960 0.000 0.000 0.307 508 G HA3 -0.009 3.951 3.960 0.000 0.000 0.307 508 G C -1.650 173.245 174.900 -0.008 0.000 1.327 508 G CA -1.220 43.881 45.100 0.003 0.000 0.963 508 G HN -0.060 nan 8.290 nan 0.000 0.590 509 N N 0.036 118.736 118.700 0.000 0.000 2.477 509 N HA 0.376 5.116 4.740 0.000 0.000 0.284 509 N C -0.372 175.137 175.510 -0.001 0.000 1.182 509 N CA -0.509 52.542 53.050 0.002 0.000 0.949 509 N CB 1.645 40.148 38.487 0.027 0.000 1.204 509 N HN 0.679 nan 8.380 nan 0.000 0.526 510 Q N 1.295 121.091 119.800 -0.007 0.000 2.314 510 Q HA 0.193 4.533 4.340 0.000 0.000 0.257 510 Q C 0.637 176.636 176.000 -0.003 0.000 0.975 510 Q CA -0.345 55.450 55.803 -0.015 0.000 0.933 510 Q CB 0.769 29.491 28.738 -0.026 0.000 1.195 510 Q HN 0.599 nan 8.270 nan 0.000 0.426 511 V N 0.209 120.120 119.914 -0.005 0.000 3.660 511 V HA 0.376 4.496 4.120 0.000 0.000 0.276 511 V C 0.380 176.470 176.094 -0.007 0.000 1.317 511 V CA 0.342 62.639 62.300 -0.005 0.000 1.097 511 V CB 0.790 32.602 31.823 -0.018 0.000 0.863 511 V HN 0.501 nan 8.190 nan 0.000 0.438 512 S N -0.734 114.961 115.700 -0.008 0.000 2.656 512 S HA 0.270 4.740 4.470 0.000 0.000 0.265 512 S C -1.533 173.061 174.600 -0.011 0.000 1.110 512 S CA -0.641 57.561 58.200 0.003 0.000 0.821 512 S CB 1.302 64.496 63.200 -0.010 0.000 1.099 512 S HN 0.389 nan 8.310 nan 0.000 0.471 513 E N 2.324 122.524 120.200 -0.000 0.000 2.585 513 E HA 0.036 4.386 4.350 0.000 0.000 0.252 513 E C 0.208 176.742 176.600 -0.109 0.000 0.981 513 E CA 0.921 57.221 56.400 -0.167 0.000 0.943 513 E CB -0.339 29.310 29.700 -0.085 0.000 0.923 513 E HN 0.730 nan 8.360 nan 0.000 0.486 514 H N -0.874 118.238 119.070 0.069 0.000 3.141 514 H HA -0.173 4.383 4.556 0.000 0.000 0.260 514 H C 0.109 175.385 175.328 -0.085 0.000 1.132 514 H CA 1.431 57.458 56.048 -0.034 0.000 1.171 514 H CB -2.227 27.668 29.762 0.223 0.000 1.274 514 H HN 0.473 nan 8.280 nan 0.000 0.329 515 T N -1.403 113.178 114.554 0.044 0.000 2.861 515 T HA 0.655 5.005 4.350 0.000 0.000 0.287 515 T C 0.160 174.860 174.700 0.001 0.000 1.003 515 T CA -1.002 61.127 62.100 0.048 0.000 0.977 515 T CB 3.013 71.925 68.868 0.073 0.000 0.996 515 T HN 0.231 nan 8.240 nan 0.000 0.448 516 L N 2.126 123.355 121.223 0.010 0.000 2.344 516 L HA 0.821 5.161 4.340 0.000 0.000 0.272 516 L C 0.466 177.354 176.870 0.030 0.000 1.035 516 L CA -0.473 54.369 54.840 0.004 0.000 0.807 516 L CB 1.294 43.346 42.059 -0.011 0.000 1.237 516 L HN 0.965 nan 8.230 nan 0.000 0.442 517 G N 1.395 110.207 108.800 0.020 0.000 2.571 517 G HA2 0.336 4.296 3.960 0.000 0.000 0.327 517 G HA3 0.336 4.296 3.960 0.000 0.000 0.327 517 G C -0.003 174.926 174.900 0.048 0.000 1.008 517 G CA 0.016 45.128 45.100 0.019 0.000 1.136 517 G HN 0.730 nan 8.290 nan 0.000 0.444 518 T N 0.089 114.708 114.554 0.108 0.000 2.871 518 T HA 0.132 4.482 4.350 0.000 0.000 0.296 518 T C 0.679 175.501 174.700 0.203 0.000 0.998 518 T CA -0.479 61.729 62.100 0.180 0.000 1.162 518 T CB 1.337 70.350 68.868 0.242 0.000 0.947 518 T HN 0.681 nan 8.240 nan 0.000 0.536 519 V N 6.956 126.935 119.914 0.107 0.000 2.599 519 V HA 0.353 4.473 4.120 0.000 0.000 0.300 519 V C 0.134 176.197 176.094 -0.053 0.000 1.034 519 V CA 0.175 62.453 62.300 -0.037 0.000 1.115 519 V CB -0.611 31.197 31.823 -0.025 0.000 0.934 519 V HN 1.216 nan 8.190 nan 0.000 0.485 520 H N 2.911 121.812 119.070 -0.283 0.000 2.948 520 H HA 0.617 5.173 4.556 0.000 0.000 0.315 520 H C -1.040 173.992 175.328 -0.493 0.000 1.360 520 H CA -0.265 55.446 56.048 -0.563 0.000 1.125 520 H CB 1.713 30.699 29.762 -1.293 0.000 1.844 520 H HN 0.669 nan 8.280 nan 0.000 0.529 521 T N -0.680 113.627 114.554 -0.411 0.000 2.876 521 T HA 0.389 4.739 4.350 0.000 0.000 0.289 521 T C -0.874 173.583 174.700 -0.405 0.000 1.014 521 T CA -0.813 61.071 62.100 -0.360 0.000 0.986 521 T CB 2.000 70.736 68.868 -0.220 0.000 1.021 521 T HN 0.643 nan 8.240 nan 0.000 0.458 522 H N 1.243 120.147 119.070 -0.276 0.000 2.492 522 H HA 0.753 5.309 4.556 0.000 0.000 0.345 522 H C -0.507 174.811 175.328 -0.017 0.000 1.136 522 H CA -0.699 55.258 56.048 -0.152 0.000 1.202 522 H CB 2.077 31.658 29.762 -0.303 0.000 1.524 522 H HN 0.811 nan 8.280 nan 0.000 0.506 523 S N 0.862 116.745 115.700 0.306 0.000 2.543 523 S HA 0.654 5.124 4.470 0.000 0.000 0.273 523 S C -0.973 173.872 174.600 0.409 0.000 1.152 523 S CA -0.862 57.580 58.200 0.404 0.000 0.910 523 S CB 2.190 65.567 63.200 0.295 0.000 1.105 523 S HN 0.827 nan 8.310 nan 0.000 0.465 524 A N 1.875 124.897 122.820 0.338 0.000 2.393 524 A HA 0.769 5.089 4.320 0.000 0.000 0.306 524 A C -1.230 176.202 177.584 -0.253 0.000 1.050 524 A CA -0.542 51.363 52.037 -0.219 0.000 0.724 524 A CB 1.180 19.741 19.000 -0.732 0.000 1.248 524 A HN 0.912 nan 8.150 nan 0.000 0.424 525 H N 1.905 120.363 119.070 -1.021 0.000 2.481 525 H HA 0.635 5.191 4.556 0.000 0.000 0.333 525 H C -1.686 173.248 175.328 -0.656 0.000 1.066 525 H CA -0.389 55.170 56.048 -0.815 0.000 1.209 525 H CB 0.708 29.480 29.762 -1.651 0.000 1.445 525 H HN 0.493 nan 8.280 nan 0.000 0.488 526 F N 2.882 122.549 119.950 -0.471 0.000 2.508 526 F HA 0.292 4.819 4.527 0.000 0.000 0.325 526 F C 0.290 175.742 175.800 -0.581 0.000 1.090 526 F CA -0.992 56.766 58.000 -0.403 0.000 0.945 526 F CB 1.463 40.418 39.000 -0.074 0.000 1.156 526 F HN 0.323 nan 8.300 nan 0.000 0.463 527 K N 2.481 122.647 120.400 -0.390 0.000 2.253 527 K HA 0.592 4.912 4.320 0.000 0.000 0.277 527 K C -1.588 174.691 176.600 -0.534 0.000 1.053 527 K CA -0.287 55.533 56.287 -0.778 0.000 0.892 527 K CB 0.814 32.888 32.500 -0.710 0.000 1.102 527 K HN 0.572 nan 8.250 nan 0.000 0.469 528 V N 4.449 124.008 119.914 -0.592 0.000 2.304 528 V HA 0.100 4.220 4.120 0.000 0.000 0.278 528 V C -0.696 175.186 176.094 -0.353 0.000 1.018 528 V CA -0.837 61.228 62.300 -0.393 0.000 0.814 528 V CB 0.987 32.574 31.823 -0.392 0.000 1.021 528 V HN 0.772 nan 8.190 nan 0.000 0.440 529 D N 5.244 125.491 120.400 -0.255 0.000 2.485 529 D HA 0.429 5.069 4.640 0.000 0.000 0.229 529 D C -0.138 176.134 176.300 -0.046 0.000 1.101 529 D CA -0.196 53.724 54.000 -0.132 0.000 0.906 529 D CB 0.536 41.307 40.800 -0.047 0.000 1.019 529 D HN 0.398 nan 8.370 nan 0.000 0.516 530 L N 1.933 123.125 121.223 -0.052 0.000 2.439 530 L HA 0.415 4.755 4.340 0.000 0.000 0.261 530 L C 0.199 177.092 176.870 0.039 0.000 1.153 530 L CA -0.402 54.424 54.840 -0.022 0.000 0.808 530 L CB 0.870 42.907 42.059 -0.037 0.000 1.126 530 L HN 0.332 nan 8.230 nan 0.000 0.460 531 D N 1.214 121.653 120.400 0.065 0.000 2.552 531 D HA 0.134 4.774 4.640 0.000 0.000 0.285 531 D C -0.663 175.721 176.300 0.141 0.000 1.206 531 D CA -0.192 53.868 54.000 0.101 0.000 0.826 531 D CB 1.511 42.383 40.800 0.121 0.000 1.179 531 D HN 0.044 nan 8.370 nan 0.000 0.508 532 V N 1.508 121.530 119.914 0.180 0.000 2.450 532 V HA 0.078 4.198 4.120 0.000 0.000 0.264 532 V C 1.273 177.534 176.094 0.278 0.000 0.996 532 V CA 0.168 62.651 62.300 0.306 0.000 1.138 532 V CB -0.708 31.343 31.823 0.379 0.000 1.051 532 V HN 0.695 nan 8.190 nan 0.000 0.470 533 A N 3.915 126.898 122.820 0.273 0.000 2.415 533 A HA 0.166 4.486 4.320 0.000 0.000 0.292 533 A C 1.099 178.754 177.584 0.119 0.000 1.452 533 A CA 1.105 53.231 52.037 0.148 0.000 0.750 533 A CB -1.381 17.627 19.000 0.014 0.000 1.099 533 A HN 2.650 nan 8.150 nan 0.000 0.391 534 G N -2.344 106.530 108.800 0.123 0.000 2.392 534 G HA2 0.224 4.184 3.960 0.000 0.000 0.677 534 G HA3 0.224 4.184 3.960 0.000 0.000 0.677 534 G C 0.210 175.169 174.900 0.097 0.000 1.334 534 G CA -0.315 44.847 45.100 0.104 0.000 0.961 534 G HN 1.113 nan 8.290 nan 0.000 0.616 535 L N 0.179 121.438 121.223 0.059 0.000 2.131 535 L HA 0.146 4.486 4.340 0.000 0.000 0.206 535 L C 1.292 178.151 176.870 -0.019 0.000 1.087 535 L CA 0.846 55.697 54.840 0.018 0.000 0.767 535 L CB -0.413 41.639 42.059 -0.012 0.000 0.917 535 L HN 0.598 nan 8.230 nan 0.000 0.441 536 E N 2.417 122.602 120.200 -0.023 0.000 2.328 536 E HA 0.154 4.504 4.350 0.000 0.000 0.265 536 E C -0.978 175.565 176.600 -0.095 0.000 1.057 536 E CA 0.254 56.549 56.400 -0.175 0.000 0.916 536 E CB 0.031 29.657 29.700 -0.123 0.000 0.993 536 E HN 0.386 nan 8.360 nan 0.000 0.446 537 N N 2.274 120.819 118.700 -0.258 0.000 2.357 537 N HA 0.472 5.212 4.740 0.000 0.000 0.284 537 N C -0.853 174.589 175.510 -0.115 0.000 1.236 537 N CA -0.780 52.303 53.050 0.055 0.000 0.774 537 N CB 1.939 40.491 38.487 0.109 0.000 1.534 537 N HN 0.404 nan 8.380 nan 0.000 0.478 538 W N 0.310 121.647 121.300 0.061 0.000 2.967 538 W HA 0.613 5.273 4.660 0.000 0.000 0.342 538 W C -1.044 175.362 176.519 -0.189 0.000 1.162 538 W CA -0.668 56.612 57.345 -0.108 0.000 1.085 538 W CB 1.455 30.786 29.460 -0.215 0.000 1.460 538 W HN 0.070 nan 8.180 nan 0.000 0.584 539 V N 0.985 120.823 119.914 -0.126 0.000 2.378 539 V HA 0.297 4.417 4.120 0.000 0.000 0.288 539 V C -1.156 174.637 176.094 -0.503 0.000 1.016 539 V CA -0.507 61.659 62.300 -0.224 0.000 0.840 539 V CB 0.796 32.552 31.823 -0.111 0.000 0.994 539 V HN 0.384 nan 8.190 nan 0.000 0.431 540 W N 2.617 123.693 121.300 -0.373 0.000 2.606 540 W HA 0.766 5.426 4.660 0.000 0.000 0.332 540 W C -0.013 176.257 176.519 -0.416 0.000 1.052 540 W CA -0.702 56.372 57.345 -0.451 0.000 1.223 540 W CB 2.050 31.051 29.460 -0.766 0.000 1.383 540 W HN 0.598 nan 8.180 nan 0.000 0.524 541 A N 2.786 125.668 122.820 0.103 0.000 2.483 541 A HA 0.518 4.838 4.320 0.000 0.000 0.308 541 A C -0.711 176.969 177.584 0.159 0.000 1.291 541 A CA -0.675 51.421 52.037 0.098 0.000 0.774 541 A CB 0.324 19.391 19.000 0.111 0.000 1.134 541 A HN 0.655 nan 8.150 nan 0.000 0.471 542 E N 1.326 121.640 120.200 0.190 0.000 2.214 542 E HA 0.576 4.926 4.350 0.000 0.000 0.274 542 E C -1.334 175.339 176.600 0.121 0.000 0.977 542 E CA -0.695 55.803 56.400 0.165 0.000 0.827 542 E CB 1.886 31.696 29.700 0.184 0.000 1.130 542 E HN 0.573 nan 8.360 nan 0.000 0.394 543 D N 1.164 121.599 120.400 0.058 0.000 2.685 543 D HA 0.125 4.765 4.640 0.000 0.000 0.236 543 D C -0.673 175.610 176.300 -0.028 0.000 1.233 543 D CA -0.565 53.453 54.000 0.029 0.000 0.760 543 D CB 1.282 42.101 40.800 0.032 0.000 1.410 543 D HN 0.470 nan 8.370 nan 0.000 0.439 544 M N 0.436 119.995 119.600 -0.070 0.000 1.878 544 M HA 0.685 5.165 4.480 0.000 0.000 0.236 544 M C -0.325 175.879 176.300 -0.160 0.000 1.315 544 M CA -0.430 54.781 55.300 -0.149 0.000 0.986 544 M CB 0.776 33.239 32.600 -0.228 0.000 1.324 544 M HN 0.164 nan 8.290 nan 0.000 0.474 545 V N 0.247 120.002 119.914 -0.265 0.000 2.885 545 V HA 0.335 4.455 4.120 0.000 0.000 0.254 545 V C -2.228 173.714 176.094 -0.253 0.000 1.772 545 V CA -0.700 61.477 62.300 -0.206 0.000 0.915 545 V CB 1.791 33.574 31.823 -0.067 0.000 1.342 545 V HN 0.847 nan 8.190 nan 0.000 0.459 546 F N 5.270 125.224 119.950 0.007 0.000 2.404 546 F HA 0.672 5.199 4.527 0.000 0.000 0.354 546 F C 0.262 176.064 175.800 0.002 0.000 1.122 546 F CA -0.790 57.212 58.000 0.003 0.000 1.080 546 F CB 1.943 40.944 39.000 0.002 0.000 1.131 546 F HN 0.335 nan 8.300 nan 0.000 0.471 547 V N 5.890 125.921 119.914 0.195 0.000 2.313 547 V HA 0.288 4.408 4.120 0.000 0.000 0.278 547 V C -2.131 174.012 176.094 0.081 0.000 1.017 547 V CA -2.002 60.361 62.300 0.104 0.000 0.823 547 V CB 1.035 32.897 31.823 0.064 0.000 1.010 547 V HN 0.479 nan 8.190 nan 0.000 0.443 548 P HA 0.379 nan 4.420 nan 0.000 0.276 548 P C -0.861 176.440 177.300 0.002 0.000 1.235 548 P CA -0.192 62.918 63.100 0.017 0.000 0.772 548 P CB 1.094 32.797 31.700 0.005 0.000 0.871 549 M N 0.836 120.426 119.600 -0.017 0.000 2.365 549 M HA 0.644 5.124 4.480 0.000 0.000 0.288 549 M C -1.090 175.172 176.300 -0.064 0.000 1.152 549 M CA -1.137 54.144 55.300 -0.031 0.000 0.948 549 M CB 2.064 34.651 32.600 -0.021 0.000 1.729 549 M HN 0.196 nan 8.290 nan 0.000 0.487 550 A N 2.276 125.052 122.820 -0.074 0.000 2.540 550 A HA 0.436 4.756 4.320 0.000 0.000 0.239 550 A C 0.343 177.817 177.584 -0.184 0.000 1.061 550 A CA -0.336 51.636 52.037 -0.109 0.000 0.758 550 A CB 0.019 18.963 19.000 -0.093 0.000 0.991 550 A HN 0.780 nan 8.150 nan 0.000 0.502 551 V N 6.156 125.907 119.914 -0.272 0.000 2.486 551 V HA -0.057 4.063 4.120 0.000 0.000 0.290 551 V C -1.099 174.637 176.094 -0.597 0.000 0.991 551 V CA 0.064 62.024 62.300 -0.566 0.000 1.142 551 V CB 0.031 31.442 31.823 -0.688 0.000 0.926 551 V HN 0.875 nan 8.190 nan 0.000 0.472 552 P HA -0.209 nan 4.420 nan 0.000 0.221 552 P C 1.273 178.537 177.300 -0.061 0.000 1.160 552 P CA 2.388 65.388 63.100 -0.166 0.000 0.933 552 P CB -0.061 31.697 31.700 0.096 0.000 0.793 553 W N -2.084 119.229 121.300 0.022 0.000 3.180 553 W HA 0.379 5.039 4.660 0.000 0.000 0.254 553 W C 0.302 176.843 176.519 0.036 0.000 1.318 553 W CA 0.417 57.776 57.345 0.023 0.000 1.608 553 W CB -0.514 28.957 29.460 0.018 0.000 1.124 553 W HN -0.089 nan 8.180 nan 0.000 0.694 554 S N 0.327 115.882 115.700 -0.242 0.000 2.708 554 S HA 0.247 4.717 4.470 0.000 0.000 0.141 554 S C -1.832 172.689 174.600 -0.131 0.000 1.349 554 S CA -0.794 57.352 58.200 -0.090 0.000 1.206 554 S CB 0.031 63.243 63.200 0.021 0.000 1.603 554 S HN -0.234 nan 8.310 nan 0.000 0.415 555 P HA -0.222 nan 4.420 nan 0.000 0.218 555 P C 1.354 178.580 177.300 -0.123 0.000 1.150 555 P CA 1.643 64.675 63.100 -0.113 0.000 0.841 555 P CB -0.004 31.651 31.700 -0.075 0.000 0.784 556 E N -2.005 118.101 120.200 -0.157 0.000 2.267 556 E HA -0.190 4.160 4.350 0.000 0.000 0.197 556 E C 0.477 176.870 176.600 -0.344 0.000 0.998 556 E CA 0.947 57.196 56.400 -0.251 0.000 0.830 556 E CB -0.577 28.931 29.700 -0.321 0.000 0.751 556 E HN 0.354 nan 8.360 nan 0.000 0.491 557 H N 0.543 119.550 119.070 -0.104 0.000 2.463 557 H HA 0.282 4.838 4.556 0.000 0.000 0.332 557 H C -0.482 174.765 175.328 -0.134 0.000 1.127 557 H CA -0.765 55.216 56.048 -0.112 0.000 1.238 557 H CB 1.581 31.270 29.762 -0.123 0.000 1.478 557 H HN 0.047 nan 8.280 nan 0.000 0.499 558 Q N 1.580 121.405 119.800 0.040 0.000 2.260 558 Q HA 0.403 4.743 4.340 0.000 0.000 0.242 558 Q C -1.346 174.620 176.000 -0.056 0.000 0.932 558 Q CA -0.678 55.109 55.803 -0.027 0.000 0.891 558 Q CB 0.907 29.632 28.738 -0.022 0.000 1.222 558 Q HN 0.485 nan 8.270 nan 0.000 0.453 559 L N 2.107 123.287 121.223 -0.072 0.000 2.445 559 L HA 0.447 4.787 4.340 0.000 0.000 0.262 559 L C -1.685 175.155 176.870 -0.050 0.000 0.974 559 L CA -0.335 54.459 54.840 -0.076 0.000 0.822 559 L CB 2.314 44.308 42.059 -0.108 0.000 1.339 559 L HN 0.523 nan 8.230 nan 0.000 0.409 560 Q N 3.510 123.277 119.800 -0.056 0.000 2.509 560 Q HA 0.347 4.687 4.340 0.000 0.000 0.236 560 Q C -0.700 175.363 176.000 0.105 0.000 1.073 560 Q CA -0.505 55.277 55.803 -0.035 0.000 0.867 560 Q CB 1.016 29.596 28.738 -0.264 0.000 1.181 560 Q HN 0.398 nan 8.270 nan 0.000 0.526 561 R N 2.370 122.947 120.500 0.128 0.000 2.309 561 R HA 0.163 4.503 4.340 0.000 0.000 0.331 561 R C -0.639 175.778 176.300 0.194 0.000 1.116 561 R CA -0.315 55.868 56.100 0.139 0.000 0.970 561 R CB -0.466 29.878 30.300 0.074 0.000 1.024 561 R HN 0.452 nan 8.270 nan 0.000 0.472 562 L N 4.048 125.405 121.223 0.223 0.000 2.455 562 L HA 0.133 4.473 4.340 0.000 0.000 0.272 562 L C -0.478 176.384 176.870 -0.012 0.000 1.174 562 L CA 1.165 56.050 54.840 0.074 0.000 0.869 562 L CB 0.396 42.497 42.059 0.070 0.000 1.130 562 L HN 0.712 nan 8.230 nan 0.000 0.474 563 Q N 3.849 123.602 119.800 -0.079 0.000 2.501 563 Q HA 0.632 4.972 4.340 0.000 0.000 0.288 563 Q C -1.374 174.572 176.000 -0.090 0.000 1.051 563 Q CA -1.037 54.730 55.803 -0.059 0.000 0.788 563 Q CB 2.466 31.190 28.738 -0.024 0.000 1.469 563 Q HN 0.555 nan 8.270 nan 0.000 0.416 564 V N -1.660 118.213 119.914 -0.068 0.000 2.581 564 V HA 0.804 4.924 4.120 0.000 0.000 0.303 564 V C -0.289 175.789 176.094 -0.027 0.000 1.041 564 V CA -0.411 61.848 62.300 -0.067 0.000 0.907 564 V CB 1.495 33.265 31.823 -0.089 0.000 0.994 564 V HN 0.886 nan 8.190 nan 0.000 0.442 565 T N 2.244 116.794 114.554 -0.006 0.000 2.771 565 T HA 0.603 4.953 4.350 0.000 0.000 0.281 565 T C -0.286 174.454 174.700 0.067 0.000 0.982 565 T CA -0.617 61.500 62.100 0.029 0.000 0.978 565 T CB 1.225 70.113 68.868 0.032 0.000 0.930 565 T HN 0.953 nan 8.240 nan 0.000 0.447 566 R N 2.416 122.972 120.500 0.093 0.000 2.335 566 R HA 0.360 4.700 4.340 0.000 0.000 0.302 566 R C -0.403 176.053 176.300 0.259 0.000 1.147 566 R CA -0.589 55.610 56.100 0.164 0.000 1.111 566 R CB 0.448 30.799 30.300 0.086 0.000 1.122 566 R HN 0.728 nan 8.270 nan 0.000 0.557 567 K N 3.925 124.477 120.400 0.254 0.000 2.159 567 K HA 0.266 4.586 4.320 0.000 0.000 0.266 567 K C -1.218 175.487 176.600 0.176 0.000 0.975 567 K CA -0.801 55.608 56.287 0.203 0.000 0.865 567 K CB 1.097 33.666 32.500 0.114 0.000 1.087 567 K HN 0.278 nan 8.250 nan 0.000 0.446 568 L N 5.886 127.104 121.223 -0.007 0.000 2.275 568 L HA 0.356 4.696 4.340 0.000 0.000 0.288 568 L C -1.233 175.486 176.870 -0.252 0.000 1.046 568 L CA -0.321 54.263 54.840 -0.427 0.000 0.805 568 L CB 0.965 42.558 42.059 -0.776 0.000 1.193 568 L HN 0.622 nan 8.230 nan 0.000 0.426 569 L N 5.768 126.838 121.223 -0.254 0.000 2.281 569 L HA 0.334 4.674 4.340 0.000 0.000 0.285 569 L C 0.703 177.497 176.870 -0.126 0.000 1.074 569 L CA 0.005 54.762 54.840 -0.139 0.000 0.817 569 L CB 0.807 42.811 42.059 -0.091 0.000 1.168 569 L HN 0.732 nan 8.230 nan 0.000 0.434 570 E N 2.013 122.161 120.200 -0.087 0.000 2.372 570 E HA 0.181 4.531 4.350 0.000 0.000 0.201 570 E C -0.114 176.449 176.600 -0.061 0.000 0.938 570 E CA 0.151 56.517 56.400 -0.056 0.000 0.944 570 E CB 0.584 30.262 29.700 -0.036 0.000 0.937 570 E HN 0.463 nan 8.360 nan 0.000 0.495 571 M N 0.425 119.982 119.600 -0.071 0.000 2.644 571 M HA 0.248 4.728 4.480 0.000 0.000 0.316 571 M C 0.834 177.080 176.300 -0.091 0.000 1.200 571 M CA -0.257 54.997 55.300 -0.075 0.000 0.944 571 M CB 1.101 33.657 32.600 -0.073 0.000 1.691 571 M HN -0.090 nan 8.290 nan 0.000 0.471 572 E N 0.635 120.782 120.200 -0.089 0.000 2.110 572 E HA -0.188 4.162 4.350 0.000 0.000 0.193 572 E C 1.066 177.579 176.600 -0.144 0.000 0.988 572 E CA 1.137 57.478 56.400 -0.099 0.000 0.804 572 E CB 0.283 29.927 29.700 -0.093 0.000 0.745 572 E HN 0.534 nan 8.360 nan 0.000 0.458 573 E N 0.894 121.009 120.200 -0.143 0.000 2.204 573 E HA -0.193 4.157 4.350 0.000 0.000 0.194 573 E C 1.910 178.378 176.600 -0.220 0.000 0.989 573 E CA 0.818 57.115 56.400 -0.172 0.000 0.824 573 E CB -0.167 29.457 29.700 -0.126 0.000 0.756 573 E HN 0.421 nan 8.360 nan 0.000 0.477 574 Q N 0.017 119.704 119.800 -0.188 0.000 2.172 574 Q HA 0.028 4.368 4.340 0.000 0.000 0.200 574 Q C 1.846 177.659 176.000 -0.313 0.000 0.964 574 Q CA 1.198 56.873 55.803 -0.214 0.000 0.855 574 Q CB 0.065 28.726 28.738 -0.127 0.000 0.918 574 Q HN 0.235 nan 8.270 nan 0.000 0.444 575 A N 0.111 122.795 122.820 -0.226 0.000 2.238 575 A HA 0.367 4.687 4.320 0.000 0.000 0.210 575 A C 0.775 178.249 177.584 -0.183 0.000 1.179 575 A CA 0.242 52.196 52.037 -0.138 0.000 0.827 575 A CB 0.234 19.222 19.000 -0.020 0.000 0.856 575 A HN 0.233 nan 8.150 nan 0.000 0.488 576 A N -0.107 122.506 122.820 -0.345 0.000 2.276 576 A HA 0.635 4.955 4.320 0.000 0.000 0.300 576 A C -0.986 176.324 177.584 -0.456 0.000 1.235 576 A CA -0.219 51.599 52.037 -0.364 0.000 0.867 576 A CB -0.311 18.375 19.000 -0.524 0.000 1.137 576 A HN 0.233 nan 8.150 nan 0.000 0.527 577 F N 2.907 122.830 119.950 -0.045 0.000 2.375 577 F HA 0.365 4.892 4.527 0.000 0.000 0.361 577 F C 0.297 176.215 175.800 0.196 0.000 1.117 577 F CA -0.375 57.664 58.000 0.064 0.000 1.037 577 F CB 1.367 40.410 39.000 0.071 0.000 1.192 577 F HN 0.424 nan 8.300 nan 0.000 0.452 578 L N 3.719 125.160 121.223 0.363 0.000 2.483 578 L HA 0.117 4.457 4.340 0.000 0.000 0.276 578 L C 0.344 177.392 176.870 0.296 0.000 1.213 578 L CA -0.361 54.714 54.840 0.391 0.000 0.843 578 L CB 0.297 42.510 42.059 0.256 0.000 1.107 578 L HN 0.266 nan 8.230 nan 0.000 0.487 579 V N 2.316 122.372 119.914 0.238 0.000 3.061 579 V HA 0.016 4.136 4.120 0.000 0.000 0.306 579 V C 1.340 177.516 176.094 0.136 0.000 1.118 579 V CA 1.320 63.725 62.300 0.175 0.000 1.231 579 V CB 0.750 32.646 31.823 0.122 0.000 0.956 579 V HN 1.113 nan 8.190 nan 0.000 0.499 580 G N 3.035 111.904 108.800 0.115 0.000 2.187 580 G HA2 -0.243 3.717 3.960 0.000 0.000 0.261 580 G HA3 -0.243 3.717 3.960 0.000 0.000 0.261 580 G C 0.246 175.202 174.900 0.093 0.000 1.000 580 G CA 0.561 45.715 45.100 0.091 0.000 0.718 580 G HN 1.483 nan 8.290 nan 0.000 0.519 581 S N -0.944 114.829 115.700 0.121 0.000 2.568 581 S HA 0.876 5.346 4.470 0.000 0.000 0.302 581 S C 0.227 174.890 174.600 0.106 0.000 1.082 581 S CA 0.252 58.530 58.200 0.130 0.000 1.009 581 S CB 2.324 65.636 63.200 0.187 0.000 1.069 581 S HN 1.844 nan 8.310 nan 0.000 0.500 582 A N 1.990 124.862 122.820 0.087 0.000 2.425 582 A HA 0.614 4.934 4.320 0.000 0.000 0.249 582 A C 0.715 178.286 177.584 -0.021 0.000 1.084 582 A CA -0.010 52.044 52.037 0.029 0.000 0.781 582 A CB -0.416 18.605 19.000 0.034 0.000 1.019 582 A HN 1.397 nan 8.150 nan 0.000 0.490 583 T N 0.178 114.623 114.554 -0.182 0.000 2.916 583 T HA 0.744 5.094 4.350 0.000 0.000 0.292 583 T C -2.942 171.577 174.700 -0.302 0.000 1.055 583 T CA -1.847 59.950 62.100 -0.505 0.000 1.009 583 T CB 1.544 69.961 68.868 -0.752 0.000 1.118 583 T HN 0.513 nan 8.240 nan 0.000 0.497 584 P HA 0.166 nan 4.420 nan 0.000 0.262 584 P C 0.831 178.077 177.300 -0.090 0.000 1.199 584 P CA -0.277 62.761 63.100 -0.103 0.000 0.763 584 P CB 0.860 32.542 31.700 -0.030 0.000 0.790 585 R N 2.460 122.941 120.500 -0.032 0.000 2.143 585 R HA -0.191 4.149 4.340 0.000 0.000 0.239 585 R C 0.399 176.666 176.300 -0.055 0.000 1.126 585 R CA 1.719 57.804 56.100 -0.025 0.000 0.927 585 R CB -0.621 29.717 30.300 0.065 0.000 0.860 585 R HN 0.491 nan 8.270 nan 0.000 0.433 586 Y N 0.955 121.216 120.300 -0.066 0.000 2.650 586 Y HA 0.197 4.747 4.550 0.000 0.000 0.343 586 Y C -0.358 175.561 175.900 0.032 0.000 1.078 586 Y CA -0.584 57.475 58.100 -0.069 0.000 1.356 586 Y CB 0.590 38.976 38.460 -0.124 0.000 1.204 586 Y HN 0.034 nan 8.280 nan 0.000 0.508 587 L N 6.606 127.861 121.223 0.053 0.000 2.322 587 L HA 0.620 4.960 4.340 0.000 0.000 0.281 587 L C -1.257 175.710 176.870 0.161 0.000 1.014 587 L CA -1.410 53.463 54.840 0.055 0.000 0.815 587 L CB 0.357 42.388 42.059 -0.047 0.000 1.247 587 L HN 0.442 nan 8.230 nan 0.000 0.421 588 Y N 2.976 123.317 120.300 0.069 0.000 2.713 588 Y HA 0.648 5.198 4.550 0.000 0.000 0.335 588 Y C -1.969 174.068 175.900 0.230 0.000 1.222 588 Y CA -1.586 56.584 58.100 0.117 0.000 1.061 588 Y CB 0.980 39.488 38.460 0.080 0.000 1.314 588 Y HN 0.397 nan 8.280 nan 0.000 0.453 589 L N 2.622 124.083 121.223 0.397 0.000 2.295 589 L HA 0.903 5.243 4.340 0.000 0.000 0.285 589 L C -0.147 177.066 176.870 0.572 0.000 1.035 589 L CA -0.919 54.129 54.840 0.347 0.000 0.806 589 L CB 1.425 43.627 42.059 0.238 0.000 1.214 589 L HN 0.981 nan 8.230 nan 0.000 0.426 590 A N 2.398 125.587 122.820 0.615 0.000 2.430 590 A HA 0.706 5.026 4.320 0.000 0.000 0.300 590 A C -0.444 177.519 177.584 0.632 0.000 1.124 590 A CA -0.416 52.036 52.037 0.692 0.000 0.766 590 A CB 2.068 21.601 19.000 0.888 0.000 1.328 590 A HN 0.601 nan 8.150 nan 0.000 0.424 591 S N -0.747 115.267 115.700 0.523 0.000 2.681 591 S HA 0.199 4.669 4.470 0.000 0.000 0.270 591 S C 1.062 175.959 174.600 0.495 0.000 1.209 591 S CA -0.279 58.226 58.200 0.509 0.000 0.988 591 S CB 0.751 64.161 63.200 0.349 0.000 1.006 591 S HN 0.730 nan 8.310 nan 0.000 0.558 592 N N 0.523 119.520 118.700 0.494 0.000 2.250 592 N HA -0.018 4.722 4.740 0.000 0.000 0.181 592 N C 0.042 175.491 175.510 -0.102 0.000 1.017 592 N CA 0.833 53.925 53.050 0.070 0.000 0.866 592 N CB -0.489 38.057 38.487 0.099 0.000 0.985 592 N HN 0.642 nan 8.380 nan 0.000 0.429 593 H N 0.255 119.378 119.070 0.087 0.000 2.652 593 H HA 0.170 4.726 4.556 0.000 0.000 0.349 593 H C 0.125 175.442 175.328 -0.019 0.000 1.099 593 H CA 0.111 56.168 56.048 0.015 0.000 1.417 593 H CB 0.831 30.595 29.762 0.004 0.000 1.457 593 H HN 0.059 nan 8.280 nan 0.000 0.568 594 S N 2.340 118.062 115.700 0.036 0.000 2.713 594 S HA 0.123 4.593 4.470 0.000 0.000 0.283 594 S C 0.689 175.257 174.600 -0.054 0.000 1.161 594 S CA -1.105 57.083 58.200 -0.021 0.000 0.999 594 S CB 0.982 64.140 63.200 -0.069 0.000 1.039 594 S HN 0.717 nan 8.310 nan 0.000 0.548 595 N N 0.795 119.453 118.700 -0.069 0.000 2.448 595 N HA 0.178 4.918 4.740 0.000 0.000 0.274 595 N C 0.516 175.898 175.510 -0.213 0.000 1.239 595 N CA -0.856 52.129 53.050 -0.107 0.000 0.982 595 N CB 0.137 38.606 38.487 -0.030 0.000 1.199 595 N HN 0.633 nan 8.380 nan 0.000 0.576 596 K N -0.889 119.283 120.400 -0.381 0.000 2.366 596 K HA -0.116 4.204 4.320 0.000 0.000 0.202 596 K C -0.149 175.861 176.600 -0.984 0.000 1.045 596 K CA 1.236 57.082 56.287 -0.735 0.000 0.934 596 K CB -0.164 31.756 32.500 -0.968 0.000 0.746 596 K HN 0.666 nan 8.250 nan 0.000 0.470 597 W N -0.062 121.202 121.300 -0.060 0.000 2.926 597 W HA 0.341 5.001 4.660 0.000 0.000 0.419 597 W C 0.889 177.266 176.519 -0.237 0.000 0.993 597 W CA -0.165 57.123 57.345 -0.094 0.000 2.025 597 W CB 0.442 29.890 29.460 -0.020 0.000 1.152 597 W HN 0.161 nan 8.180 nan 0.000 0.659 598 G N 0.875 109.584 108.800 -0.152 0.000 2.187 598 G HA2 -0.295 3.665 3.960 0.000 0.000 0.261 598 G HA3 -0.295 3.665 3.960 0.000 0.000 0.261 598 G C 0.104 174.808 174.900 -0.327 0.000 1.000 598 G CA 0.243 45.203 45.100 -0.233 0.000 0.718 598 G HN 0.420 nan 8.290 nan 0.000 0.519 599 H N 0.147 119.194 119.070 -0.038 0.000 2.479 599 H HA 0.387 4.943 4.556 0.000 0.000 0.335 599 H C -2.290 172.991 175.328 -0.079 0.000 1.142 599 H CA -2.082 53.915 56.048 -0.086 0.000 1.234 599 H CB 1.526 31.221 29.762 -0.111 0.000 1.503 599 H HN 0.035 nan 8.280 nan 0.000 0.510 600 P HA 0.004 nan 4.420 nan 0.000 0.266 600 P C -0.008 177.360 177.300 0.113 0.000 1.195 600 P CA 0.084 63.226 63.100 0.070 0.000 0.768 600 P CB 0.614 32.360 31.700 0.078 0.000 0.838 601 R N 2.585 123.143 120.500 0.096 0.000 2.288 601 R HA 0.480 4.820 4.340 0.000 0.000 0.330 601 R C 0.680 177.141 176.300 0.268 0.000 1.069 601 R CA 0.094 56.208 56.100 0.023 0.000 0.941 601 R CB 0.126 30.288 30.300 -0.230 0.000 0.998 601 R HN 0.631 nan 8.270 nan 0.000 0.452 602 G N 1.695 110.716 108.800 0.368 0.000 2.766 602 G HA2 0.523 4.483 3.960 0.000 0.000 0.288 602 G HA3 0.523 4.483 3.960 0.000 0.000 0.288 602 G C -1.931 173.277 174.900 0.514 0.000 1.408 602 G CA -0.397 45.034 45.100 0.552 0.000 0.852 602 G HN 0.367 nan 8.290 nan 0.000 0.487 603 Y N 0.183 120.691 120.300 0.346 0.000 2.406 603 Y HA 0.520 5.070 4.550 0.000 0.000 0.340 603 Y C 0.575 176.611 175.900 0.226 0.000 0.975 603 Y CA -0.854 57.366 58.100 0.200 0.000 1.056 603 Y CB 2.001 40.530 38.460 0.116 0.000 1.210 603 Y HN 0.729 nan 8.280 nan 0.000 0.448 604 R N 3.206 123.800 120.500 0.156 0.000 2.536 604 R HA 0.751 5.091 4.340 0.000 0.000 0.279 604 R C -1.322 175.029 176.300 0.085 0.000 1.001 604 R CA -0.695 55.479 56.100 0.123 0.000 1.027 604 R CB 1.352 31.577 30.300 -0.124 0.000 1.096 604 R HN 0.641 nan 8.270 nan 0.000 0.502 605 I N 2.383 122.979 120.570 0.044 0.000 2.361 605 I HA 0.120 4.290 4.170 0.000 0.000 0.282 605 I C -0.171 175.929 176.117 -0.028 0.000 1.075 605 I CA -0.457 60.841 61.300 -0.003 0.000 1.205 605 I CB 1.329 39.288 38.000 -0.070 0.000 1.406 605 I HN 0.623 nan 8.210 nan 0.000 0.481 606 Q N 6.887 126.696 119.800 0.016 0.000 2.295 606 Q HA 0.416 4.756 4.340 0.000 0.000 0.259 606 Q C -0.763 175.302 176.000 0.109 0.000 0.976 606 Q CA -0.296 55.501 55.803 -0.009 0.000 0.923 606 Q CB 1.062 29.756 28.738 -0.073 0.000 1.185 606 Q HN 0.580 nan 8.270 nan 0.000 0.410 607 M N 4.385 124.004 119.600 0.032 0.000 2.367 607 M HA 0.369 4.849 4.480 0.000 0.000 0.339 607 M C -0.957 175.351 176.300 0.013 0.000 1.177 607 M CA -0.589 54.751 55.300 0.067 0.000 1.068 607 M CB 1.112 33.724 32.600 0.020 0.000 1.602 607 M HN 0.569 nan 8.290 nan 0.000 0.457 608 L N 2.832 124.062 121.223 0.013 0.000 2.454 608 L HA 0.528 4.868 4.340 0.000 0.000 0.258 608 L C -0.686 176.086 176.870 -0.164 0.000 1.025 608 L CA -0.420 54.355 54.840 -0.109 0.000 0.901 608 L CB 0.685 42.719 42.059 -0.041 0.000 1.210 608 L HN 0.773 nan 8.230 nan 0.000 0.457 609 S N 0.366 115.862 115.700 -0.340 0.000 2.565 609 S HA 0.730 5.200 4.470 0.000 0.000 0.269 609 S C -0.832 173.508 174.600 -0.433 0.000 1.153 609 S CA -0.661 57.415 58.200 -0.205 0.000 0.835 609 S CB 1.512 64.773 63.200 0.101 0.000 1.122 609 S HN 0.277 nan 8.310 nan 0.000 0.462 610 F N 0.618 120.649 119.950 0.136 0.000 2.810 610 F HA 0.639 5.166 4.527 0.000 0.000 0.353 610 F C 1.042 176.941 175.800 0.165 0.000 1.227 610 F CA -0.633 57.439 58.000 0.121 0.000 1.210 610 F CB -0.007 39.048 39.000 0.092 0.000 1.039 610 F HN 0.909 nan 8.300 nan 0.000 0.509 611 A N 1.358 124.377 122.820 0.332 0.000 2.600 611 A HA 0.312 4.632 4.320 0.000 0.000 0.253 611 A C 1.217 178.912 177.584 0.184 0.000 0.997 611 A CA 0.884 53.080 52.037 0.265 0.000 0.820 611 A CB -0.579 18.558 19.000 0.228 0.000 0.888 611 A HN 0.585 nan 8.150 nan 0.000 0.508 612 G N 2.222 111.103 108.800 0.134 0.000 2.636 612 G HA2 0.402 4.362 3.960 0.000 0.000 0.246 612 G HA3 0.402 4.362 3.960 0.000 0.000 0.246 612 G C -0.048 174.874 174.900 0.037 0.000 1.216 612 G CA -0.532 44.609 45.100 0.068 0.000 0.854 612 G HN 0.877 nan 8.290 nan 0.000 0.572 613 E N 1.737 121.949 120.200 0.020 0.000 2.585 613 E HA 0.025 4.375 4.350 0.000 0.000 0.252 613 E C -1.575 175.010 176.600 -0.024 0.000 0.981 613 E CA -0.544 55.859 56.400 0.005 0.000 0.943 613 E CB 0.485 30.184 29.700 -0.000 0.000 0.923 613 E HN 0.286 nan 8.360 nan 0.000 0.486 614 P HA -0.021 nan 4.420 nan 0.000 0.272 614 P C -0.362 176.906 177.300 -0.053 0.000 1.230 614 P CA -0.526 62.529 63.100 -0.075 0.000 0.788 614 P CB 0.643 32.276 31.700 -0.112 0.000 0.949 615 L N 3.954 125.155 121.223 -0.037 0.000 2.578 615 L HA 0.053 4.393 4.340 0.000 0.000 0.279 615 L C -1.877 174.986 176.870 -0.012 0.000 1.227 615 L CA -0.600 54.245 54.840 0.007 0.000 0.900 615 L CB -1.103 41.021 42.059 0.109 0.000 1.144 615 L HN 0.368 nan 8.230 nan 0.000 0.496 616 P HA -0.039 nan 4.420 nan 0.000 0.275 616 P C -0.249 177.029 177.300 -0.037 0.000 1.262 616 P CA 0.093 63.181 63.100 -0.020 0.000 0.834 616 P CB 0.340 32.036 31.700 -0.007 0.000 1.098 617 Q N -1.205 118.572 119.800 -0.038 0.000 2.396 617 Q HA 0.073 4.413 4.340 0.000 0.000 0.220 617 Q C 1.704 177.685 176.000 -0.031 0.000 0.900 617 Q CA 0.334 56.105 55.803 -0.052 0.000 0.925 617 Q CB -0.221 28.486 28.738 -0.052 0.000 1.065 617 Q HN 0.422 nan 8.270 nan 0.000 0.535 618 N N 0.568 119.259 118.700 -0.015 0.000 2.334 618 N HA -0.105 4.635 4.740 0.000 0.000 0.187 618 N C 0.391 175.906 175.510 0.008 0.000 1.016 618 N CA 0.144 53.192 53.050 -0.003 0.000 0.879 618 N CB 0.123 38.611 38.487 0.002 0.000 0.965 618 N HN -0.047 nan 8.380 nan 0.000 0.438 619 S N 0.035 115.741 115.700 0.010 0.000 2.510 619 S HA 0.062 4.532 4.470 0.000 0.000 0.279 619 S C 1.386 176.013 174.600 0.045 0.000 1.284 619 S CA -0.576 57.647 58.200 0.038 0.000 1.059 619 S CB 0.805 64.032 63.200 0.045 0.000 0.901 619 S HN 0.348 nan 8.310 nan 0.000 0.491 620 S N 5.518 121.285 115.700 0.112 0.000 2.407 620 S HA -0.278 4.192 4.470 0.000 0.000 0.235 620 S C 1.757 176.490 174.600 0.222 0.000 1.036 620 S CA 1.894 60.207 58.200 0.188 0.000 1.013 620 S CB -0.737 62.614 63.200 0.251 0.000 0.820 620 S HN 0.933 nan 8.310 nan 0.000 0.476 621 M N 0.128 119.802 119.600 0.123 0.000 2.514 621 M HA 0.529 5.009 4.480 0.000 0.000 0.258 621 M C 2.219 178.200 176.300 -0.531 0.000 1.119 621 M CA 0.717 55.871 55.300 -0.243 0.000 1.111 621 M CB -0.591 31.817 32.600 -0.320 0.000 1.390 621 M HN 0.235 nan 8.290 nan 0.000 0.475 622 A N 2.276 124.865 122.820 -0.384 0.000 1.944 622 A HA -0.256 4.064 4.320 0.000 0.000 0.222 622 A C 2.301 179.458 177.584 -0.711 0.000 1.237 622 A CA 2.284 54.007 52.037 -0.523 0.000 0.668 622 A CB -0.878 17.980 19.000 -0.236 0.000 0.830 622 A HN 0.585 nan 8.150 nan 0.000 0.471 623 R N -1.054 119.169 120.500 -0.461 0.000 2.159 623 R HA -0.147 4.193 4.340 0.000 0.000 0.237 623 R C 2.267 178.308 176.300 -0.433 0.000 1.131 623 R CA 1.180 57.065 56.100 -0.359 0.000 0.982 623 R CB -1.182 29.001 30.300 -0.195 0.000 0.868 623 R HN 0.607 nan 8.270 nan 0.000 0.453 624 G N 0.485 108.890 108.800 -0.659 0.000 2.498 624 G HA2 -0.183 3.777 3.960 0.000 0.000 0.219 624 G HA3 -0.183 3.777 3.960 0.000 0.000 0.219 624 G C 0.473 175.196 174.900 -0.295 0.000 1.119 624 G CA 0.468 45.277 45.100 -0.486 0.000 0.766 624 G HN 0.409 nan 8.290 nan 0.000 0.552 625 F N -1.060 118.757 119.950 -0.221 0.000 2.514 625 F HA 0.335 4.862 4.527 0.000 0.000 0.374 625 F C 1.216 176.568 175.800 -0.746 0.000 1.532 625 F CA -0.715 57.013 58.000 -0.454 0.000 1.082 625 F CB -0.479 38.224 39.000 -0.495 0.000 1.610 625 F HN -0.031 nan 8.300 nan 0.000 0.531 626 S N -0.018 115.458 115.700 -0.374 0.000 2.419 626 S HA -0.218 4.252 4.470 0.000 0.000 0.235 626 S C 1.690 176.098 174.600 -0.320 0.000 1.019 626 S CA 1.228 59.243 58.200 -0.308 0.000 0.982 626 S CB -0.819 62.304 63.200 -0.129 0.000 0.789 626 S HN 0.810 nan 8.310 nan 0.000 0.490 627 W N 2.151 123.363 121.300 -0.147 0.000 2.374 627 W HA 0.049 4.709 4.660 0.000 0.000 0.288 627 W C 1.619 177.966 176.519 -0.285 0.000 1.218 627 W CA 0.896 58.038 57.345 -0.339 0.000 1.245 627 W CB -0.862 27.753 29.460 -1.409 0.000 1.126 627 W HN 0.423 nan 8.180 nan 0.000 0.545 628 E N 1.538 121.063 120.200 -1.125 0.000 2.331 628 E HA -0.234 4.116 4.350 0.000 0.000 0.199 628 E C 1.890 178.285 176.600 -0.342 0.000 1.008 628 E CA 0.842 56.745 56.400 -0.830 0.000 0.843 628 E CB -0.258 28.872 29.700 -0.951 0.000 0.761 628 E HN 0.262 nan 8.360 nan 0.000 0.507 629 R N -0.621 119.610 120.500 -0.449 0.000 2.335 629 R HA 0.093 4.433 4.340 0.000 0.000 0.223 629 R C -0.512 175.580 176.300 -0.347 0.000 0.940 629 R CA 0.065 55.911 56.100 -0.423 0.000 1.086 629 R CB 0.193 30.158 30.300 -0.557 0.000 1.073 629 R HN 0.103 nan 8.270 nan 0.000 0.504 630 Y N -1.798 118.596 120.300 0.156 0.000 2.570 630 Y HA 0.224 4.774 4.550 0.000 0.000 0.345 630 Y C 0.865 176.935 175.900 0.283 0.000 1.014 630 Y CA -1.163 57.080 58.100 0.239 0.000 1.063 630 Y CB 2.105 40.759 38.460 0.323 0.000 1.272 630 Y HN -0.152 nan 8.280 nan 0.000 0.477 631 Q N 0.668 120.750 119.800 0.471 0.000 2.304 631 Q HA 0.181 4.521 4.340 0.000 0.000 0.204 631 Q C -0.894 175.326 176.000 0.366 0.000 0.936 631 Q CA 0.451 56.465 55.803 0.351 0.000 0.878 631 Q CB 0.965 29.854 28.738 0.252 0.000 0.983 631 Q HN 0.483 nan 8.270 nan 0.000 0.516 632 L N -1.321 120.140 121.223 0.396 0.000 2.622 632 L HA 0.753 5.093 4.340 0.000 0.000 0.258 632 L C -2.249 174.829 176.870 0.346 0.000 0.996 632 L CA -0.637 54.416 54.840 0.354 0.000 0.858 632 L CB 2.180 44.381 42.059 0.237 0.000 1.449 632 L HN -0.039 nan 8.230 nan 0.000 0.411 633 A N 2.133 125.165 122.820 0.354 0.000 2.612 633 A HA 0.868 5.188 4.320 0.000 0.000 0.293 633 A C -2.009 175.793 177.584 0.364 0.000 1.075 633 A CA -0.455 51.727 52.037 0.241 0.000 0.680 633 A CB 1.901 21.003 19.000 0.170 0.000 1.279 633 A HN 0.834 nan 8.150 nan 0.000 0.411 634 V N 1.208 121.263 119.914 0.235 0.000 2.686 634 V HA 0.821 4.941 4.120 0.000 0.000 0.306 634 V C 0.121 176.333 176.094 0.196 0.000 1.065 634 V CA 0.149 62.606 62.300 0.262 0.000 0.894 634 V CB 1.709 33.614 31.823 0.138 0.000 1.004 634 V HN 1.504 nan 8.190 nan 0.000 0.424 635 T N 0.949 115.680 114.554 0.294 0.000 2.804 635 T HA 0.545 4.896 4.350 0.000 0.000 0.290 635 T C -0.819 173.965 174.700 0.140 0.000 1.099 635 T CA -0.902 61.308 62.100 0.184 0.000 1.011 635 T CB 2.003 70.992 68.868 0.201 0.000 1.291 635 T HN 0.505 nan 8.240 nan 0.000 0.523 636 Q N 1.062 120.897 119.800 0.058 0.000 2.296 636 Q HA 0.272 4.612 4.340 0.000 0.000 0.263 636 Q C -0.089 175.941 176.000 0.051 0.000 1.026 636 Q CA -0.532 55.279 55.803 0.014 0.000 0.912 636 Q CB 0.828 29.545 28.738 -0.035 0.000 1.198 636 Q HN 0.478 nan 8.270 nan 0.000 0.407 637 R N 3.646 124.181 120.500 0.058 0.000 2.710 637 R HA -0.041 4.299 4.340 0.000 0.000 0.301 637 R C -0.830 175.492 176.300 0.036 0.000 1.331 637 R CA 0.589 56.737 56.100 0.080 0.000 0.996 637 R CB -0.441 29.887 30.300 0.047 0.000 1.075 637 R HN 0.286 nan 8.270 nan 0.000 0.500 638 K N 2.366 122.781 120.400 0.025 0.000 2.118 638 K HA 0.048 4.368 4.320 0.000 0.000 0.267 638 K C 0.497 177.106 176.600 0.014 0.000 0.991 638 K CA -0.578 55.697 56.287 -0.019 0.000 0.916 638 K CB 1.389 33.836 32.500 -0.088 0.000 1.041 638 K HN 0.326 nan 8.250 nan 0.000 0.455 639 E N 1.788 121.995 120.200 0.013 0.000 2.204 639 E HA -0.158 4.192 4.350 0.000 0.000 0.194 639 E C 0.476 177.101 176.600 0.041 0.000 0.989 639 E CA 1.464 57.891 56.400 0.045 0.000 0.824 639 E CB 0.250 29.971 29.700 0.035 0.000 0.756 639 E HN 0.497 nan 8.360 nan 0.000 0.477 640 E N 0.168 120.361 120.200 -0.012 0.000 2.481 640 E HA 0.031 4.381 4.350 0.000 0.000 0.195 640 E C -0.097 176.451 176.600 -0.087 0.000 1.047 640 E CA 0.383 56.760 56.400 -0.038 0.000 0.867 640 E CB 0.274 29.936 29.700 -0.065 0.000 0.858 640 E HN 0.216 nan 8.360 nan 0.000 0.513 641 E N 1.242 121.361 120.200 -0.135 0.000 2.969 641 E HA 0.096 4.446 4.350 0.000 0.000 0.213 641 E C -1.879 174.837 176.600 0.193 0.000 1.107 641 E CA -1.174 55.029 56.400 -0.328 0.000 1.007 641 E CB 0.888 30.019 29.700 -0.949 0.000 1.326 641 E HN 0.121 nan 8.360 nan 0.000 0.432 642 P HA 0.080 nan 4.420 nan 0.000 0.232 642 P C 0.080 177.681 177.300 0.501 0.000 1.170 642 P CA 0.237 63.559 63.100 0.369 0.000 0.824 642 P CB 0.804 32.660 31.700 0.260 0.000 0.896 643 S N -0.628 115.401 115.700 0.549 0.000 2.570 643 S HA 0.322 4.792 4.470 0.000 0.000 0.286 643 S C 0.732 175.611 174.600 0.464 0.000 1.099 643 S CA -0.333 58.161 58.200 0.489 0.000 0.913 643 S CB 1.796 65.190 63.200 0.323 0.000 1.085 643 S HN 0.046 nan 8.310 nan 0.000 0.480 644 S N 0.053 115.908 115.700 0.258 0.000 2.548 644 S HA 0.325 4.795 4.470 0.000 0.000 0.215 644 S C 0.656 175.226 174.600 -0.050 0.000 0.976 644 S CA -0.075 58.045 58.200 -0.133 0.000 0.908 644 S CB 0.107 63.110 63.200 -0.329 0.000 0.781 644 S HN 0.490 nan 8.310 nan 0.000 0.519 645 S N -0.433 115.310 115.700 0.072 0.000 2.656 645 S HA 0.733 5.203 4.470 0.000 0.000 0.273 645 S C -1.496 173.214 174.600 0.184 0.000 1.168 645 S CA -0.491 57.793 58.200 0.139 0.000 0.817 645 S CB 1.899 65.178 63.200 0.132 0.000 1.146 645 S HN 0.272 nan 8.310 nan 0.000 0.475 646 S N 0.057 115.870 115.700 0.189 0.000 2.569 646 S HA 0.474 4.944 4.470 0.000 0.000 0.280 646 S C 0.709 175.341 174.600 0.053 0.000 1.111 646 S CA -0.069 58.260 58.200 0.215 0.000 0.887 646 S CB 1.484 64.902 63.200 0.363 0.000 1.095 646 S HN 1.052 nan 8.310 nan 0.000 0.476 647 V N 4.101 123.925 119.914 -0.149 0.000 2.720 647 V HA 0.007 4.127 4.120 0.000 0.000 0.256 647 V C 1.028 176.754 176.094 -0.613 0.000 1.082 647 V CA 1.942 63.902 62.300 -0.567 0.000 1.101 647 V CB -0.868 30.127 31.823 -1.380 0.000 0.693 647 V HN 0.831 nan 8.190 nan 0.000 0.479 648 F N 0.410 120.231 119.950 -0.216 0.000 2.664 648 F HA 0.184 4.711 4.527 0.000 0.000 0.296 648 F C 2.043 177.733 175.800 -0.183 0.000 1.125 648 F CA 0.925 58.778 58.000 -0.246 0.000 1.444 648 F CB -0.819 38.012 39.000 -0.281 0.000 1.114 648 F HN 0.202 nan 8.300 nan 0.000 0.576 649 N N 0.690 119.422 118.700 0.054 0.000 2.094 649 N HA -0.255 4.485 4.740 0.000 0.000 0.191 649 N C 1.849 177.341 175.510 -0.030 0.000 1.023 649 N CA 1.460 54.526 53.050 0.027 0.000 0.857 649 N CB -0.429 38.111 38.487 0.088 0.000 1.013 649 N HN 0.360 nan 8.380 nan 0.000 0.426 650 Q N 0.586 120.373 119.800 -0.021 0.000 2.045 650 Q HA -0.125 4.215 4.340 0.000 0.000 0.206 650 Q C 0.927 176.876 176.000 -0.085 0.000 0.991 650 Q CA 1.707 57.502 55.803 -0.012 0.000 0.851 650 Q CB -0.115 28.644 28.738 0.034 0.000 0.911 650 Q HN 0.316 nan 8.270 nan 0.000 0.418 651 N N 0.213 118.843 118.700 -0.117 0.000 2.515 651 N HA -0.027 4.713 4.740 0.000 0.000 0.185 651 N C -0.665 174.791 175.510 -0.090 0.000 1.109 651 N CA 0.716 53.706 53.050 -0.100 0.000 0.903 651 N CB 0.338 38.735 38.487 -0.150 0.000 0.969 651 N HN 0.230 nan 8.380 nan 0.000 0.450 652 D N -1.298 119.008 120.400 -0.156 0.000 2.586 652 D HA 0.236 4.876 4.640 0.000 0.000 0.254 652 D C -2.232 173.938 176.300 -0.216 0.000 1.248 652 D CA -1.480 52.465 54.000 -0.092 0.000 0.843 652 D CB 1.348 42.117 40.800 -0.052 0.000 1.332 652 D HN -0.072 nan 8.370 nan 0.000 0.523 653 P HA 0.110 nan 4.420 nan 0.000 0.235 653 P C 1.204 178.193 177.300 -0.520 0.000 1.177 653 P CA 0.219 62.968 63.100 -0.586 0.000 0.785 653 P CB 0.213 31.450 31.700 -0.772 0.000 0.885 654 W N 0.089 121.375 121.300 -0.023 0.000 2.770 654 W HA 0.432 5.092 4.660 0.000 0.000 0.256 654 W C 0.404 176.912 176.519 -0.019 0.000 1.291 654 W CA 0.220 57.549 57.345 -0.027 0.000 1.396 654 W CB -0.349 29.115 29.460 0.007 0.000 1.114 654 W HN -0.073 nan 8.180 nan 0.000 0.637 655 A N 0.681 123.587 122.820 0.143 0.000 3.127 655 A HA 0.501 4.821 4.320 0.000 0.000 0.319 655 A C -2.670 174.930 177.584 0.028 0.000 1.104 655 A CA -1.018 51.076 52.037 0.096 0.000 0.802 655 A CB -0.037 19.050 19.000 0.144 0.000 1.193 655 A HN -0.299 nan 8.150 nan 0.000 0.479 656 P HA 0.055 nan 4.420 nan 0.000 0.261 656 P C 1.038 178.363 177.300 0.042 0.000 1.173 656 P CA 0.715 63.809 63.100 -0.010 0.000 0.760 656 P CB 0.855 32.535 31.700 -0.033 0.000 0.783 657 T N 0.740 115.333 114.554 0.065 0.000 2.942 657 T HA 0.044 4.394 4.350 0.000 0.000 0.265 657 T C 0.657 175.502 174.700 0.242 0.000 1.062 657 T CA 0.857 63.016 62.100 0.098 0.000 1.139 657 T CB 0.160 69.060 68.868 0.052 0.000 0.883 657 T HN 0.166 nan 8.240 nan 0.000 0.468 658 V N 2.490 122.528 119.914 0.207 0.000 2.445 658 V HA 0.318 4.438 4.120 0.000 0.000 0.283 658 V C -1.258 174.915 176.094 0.132 0.000 1.014 658 V CA -1.312 61.121 62.300 0.222 0.000 0.852 658 V CB 1.572 33.551 31.823 0.260 0.000 1.021 658 V HN 0.164 nan 8.190 nan 0.000 0.435 659 D N 2.767 123.233 120.400 0.110 0.000 2.339 659 D HA 0.206 4.846 4.640 0.000 0.000 0.241 659 D C 0.565 176.853 176.300 -0.019 0.000 1.183 659 D CA -0.334 53.690 54.000 0.041 0.000 0.859 659 D CB 1.027 41.846 40.800 0.031 0.000 1.067 659 D HN 0.348 nan 8.370 nan 0.000 0.484 660 F N 2.818 122.609 119.950 -0.265 0.000 2.325 660 F HA -0.081 4.446 4.527 0.000 0.000 0.299 660 F C 2.083 177.741 175.800 -0.237 0.000 1.090 660 F CA 0.774 58.456 58.000 -0.530 0.000 1.392 660 F CB 0.055 38.827 39.000 -0.380 0.000 1.053 660 F HN 0.314 nan 8.300 nan 0.000 0.521 661 S N 0.047 115.643 115.700 -0.174 0.000 2.442 661 S HA -0.173 4.297 4.470 0.000 0.000 0.236 661 S C 1.353 175.874 174.600 -0.131 0.000 1.007 661 S CA 1.333 59.459 58.200 -0.124 0.000 0.965 661 S CB -0.372 62.807 63.200 -0.034 0.000 0.773 661 S HN 0.416 nan 8.310 nan 0.000 0.504 662 D N 0.679 121.044 120.400 -0.059 0.000 2.312 662 D HA 0.029 4.669 4.640 0.000 0.000 0.211 662 D C 1.064 177.413 176.300 0.081 0.000 0.964 662 D CA 0.489 54.509 54.000 0.033 0.000 0.877 662 D CB -0.258 40.601 40.800 0.098 0.000 0.924 662 D HN 0.313 nan 8.370 nan 0.000 0.515 663 F N 0.534 120.262 119.950 -0.371 0.000 2.451 663 F HA 0.110 4.637 4.527 0.000 0.000 0.299 663 F C 1.103 176.683 175.800 -0.366 0.000 1.101 663 F CA 0.029 57.784 58.000 -0.408 0.000 1.436 663 F CB -0.341 38.218 39.000 -0.735 0.000 1.074 663 F HN -0.095 nan 8.300 nan 0.000 0.553 664 I N 1.609 122.073 120.570 -0.177 0.000 2.361 664 I HA 0.175 4.345 4.170 0.000 0.000 0.282 664 I C -0.790 175.257 176.117 -0.116 0.000 1.075 664 I CA -0.545 60.646 61.300 -0.182 0.000 1.205 664 I CB -0.119 37.728 38.000 -0.254 0.000 1.406 664 I HN -0.040 nan 8.210 nan 0.000 0.481 665 N N 3.474 122.117 118.700 -0.095 0.000 2.457 665 N HA 0.257 4.997 4.740 0.000 0.000 0.290 665 N C -0.387 175.079 175.510 -0.073 0.000 1.232 665 N CA -1.035 51.972 53.050 -0.073 0.000 0.852 665 N CB 0.501 38.949 38.487 -0.065 0.000 1.313 665 N HN 0.249 nan 8.380 nan 0.000 0.522 666 N N -0.237 118.426 118.700 -0.061 0.000 3.103 666 N HA 0.014 4.754 4.740 0.000 0.000 0.305 666 N C -1.012 174.465 175.510 -0.056 0.000 1.232 666 N CA 0.006 53.020 53.050 -0.059 0.000 1.190 666 N CB 0.080 38.537 38.487 -0.049 0.000 1.461 666 N HN 0.442 nan 8.380 nan 0.000 0.538 667 E N 0.106 120.269 120.200 -0.062 0.000 2.202 667 E HA 0.107 4.457 4.350 0.000 0.000 0.272 667 E C -0.289 176.274 176.600 -0.062 0.000 0.951 667 E CA -0.665 55.700 56.400 -0.058 0.000 0.813 667 E CB 1.733 31.396 29.700 -0.062 0.000 1.151 667 E HN 0.066 nan 8.360 nan 0.000 0.398 668 T N 1.716 116.236 114.554 -0.058 0.000 2.888 668 T HA 0.185 4.535 4.350 0.000 0.000 0.301 668 T C 0.601 175.247 174.700 -0.090 0.000 1.001 668 T CA -0.240 61.822 62.100 -0.063 0.000 1.147 668 T CB 0.010 68.850 68.868 -0.048 0.000 0.931 668 T HN 0.476 nan 8.240 nan 0.000 0.541 669 I N 2.602 123.112 120.570 -0.101 0.000 3.517 669 I HA 0.641 4.811 4.170 0.000 0.000 0.346 669 I C 0.203 176.180 176.117 -0.234 0.000 1.510 669 I CA -0.961 60.255 61.300 -0.140 0.000 1.090 669 I CB 0.036 37.979 38.000 -0.094 0.000 1.506 669 I HN 0.491 nan 8.210 nan 0.000 0.477 670 A N 1.558 124.216 122.820 -0.269 0.000 2.360 670 A HA 0.699 5.019 4.320 0.000 0.000 0.309 670 A C 0.940 178.068 177.584 -0.760 0.000 1.311 670 A CA 0.032 51.808 52.037 -0.435 0.000 0.805 670 A CB 0.348 19.440 19.000 0.153 0.000 1.144 670 A HN 1.050 nan 8.150 nan 0.000 0.486 671 G N 1.849 109.422 108.800 -2.045 0.000 2.149 671 G HA2 -0.169 3.791 3.960 0.000 0.000 0.235 671 G HA3 -0.169 3.791 3.960 0.000 0.000 0.235 671 G C -0.032 174.436 174.900 -0.721 0.000 1.018 671 G CA 0.376 44.507 45.100 -1.614 0.000 0.728 671 G HN 0.701 nan 8.290 nan 0.000 0.508 672 K N -0.202 119.826 120.400 -0.621 0.000 2.346 672 K HA 0.552 4.872 4.320 0.000 0.000 0.238 672 K C -0.844 175.618 176.600 -0.231 0.000 1.039 672 K CA -1.102 54.997 56.287 -0.313 0.000 0.861 672 K CB 1.079 33.443 32.500 -0.226 0.000 1.278 672 K HN 0.080 nan 8.250 nan 0.000 0.460 673 D N 1.547 121.869 120.400 -0.131 0.000 2.339 673 D HA 0.251 4.891 4.640 0.000 0.000 0.256 673 D C -0.452 175.816 176.300 -0.054 0.000 1.214 673 D CA -0.016 53.938 54.000 -0.077 0.000 0.877 673 D CB 0.139 40.906 40.800 -0.055 0.000 1.111 673 D HN 0.319 nan 8.370 nan 0.000 0.478 674 L N 2.725 123.925 121.223 -0.038 0.000 2.299 674 L HA 0.746 5.086 4.340 0.000 0.000 0.268 674 L C -0.386 176.497 176.870 0.022 0.000 1.012 674 L CA -1.420 53.420 54.840 -0.000 0.000 0.816 674 L CB 1.810 43.859 42.059 -0.016 0.000 1.355 674 L HN 0.208 nan 8.230 nan 0.000 0.457 675 V N 0.016 119.965 119.914 0.058 0.000 2.789 675 V HA 0.761 4.881 4.120 0.000 0.000 0.300 675 V C -1.163 174.898 176.094 -0.056 0.000 1.184 675 V CA -0.261 62.011 62.300 -0.048 0.000 0.930 675 V CB 1.770 33.559 31.823 -0.058 0.000 1.041 675 V HN 0.864 nan 8.190 nan 0.000 0.430 676 A N 5.923 128.615 122.820 -0.212 0.000 2.306 676 A HA 0.877 5.197 4.320 0.000 0.000 0.314 676 A C -1.358 176.005 177.584 -0.368 0.000 1.164 676 A CA -0.444 51.526 52.037 -0.111 0.000 0.822 676 A CB 0.758 19.695 19.000 -0.105 0.000 1.130 676 A HN 1.036 nan 8.150 nan 0.000 0.496 677 W N 2.250 123.583 121.300 0.055 0.000 2.336 677 W HA 0.528 5.188 4.660 0.000 0.000 0.315 677 W C -0.715 175.849 176.519 0.076 0.000 1.016 677 W CA -0.548 56.805 57.345 0.014 0.000 1.318 677 W CB 1.353 30.996 29.460 0.304 0.000 1.247 677 W HN 0.420 nan 8.180 nan 0.000 0.414 678 V N 2.888 122.845 119.914 0.072 0.000 2.612 678 V HA 0.670 4.790 4.120 0.000 0.000 0.301 678 V C 0.057 176.423 176.094 0.453 0.000 1.046 678 V CA -0.645 61.747 62.300 0.154 0.000 0.946 678 V CB 1.734 33.410 31.823 -0.244 0.000 1.003 678 V HN 0.438 nan 8.190 nan 0.000 0.459 679 T N 3.303 118.166 114.554 0.515 0.000 2.841 679 T HA 0.745 5.095 4.350 0.000 0.000 0.285 679 T C -0.404 174.608 174.700 0.521 0.000 0.991 679 T CA -0.295 62.178 62.100 0.621 0.000 0.966 679 T CB 1.525 70.787 68.868 0.657 0.000 0.962 679 T HN 1.017 nan 8.240 nan 0.000 0.438 680 A N 2.267 125.452 122.820 0.607 0.000 2.374 680 A HA 1.007 5.327 4.320 0.000 0.000 0.305 680 A C 0.096 178.058 177.584 0.630 0.000 1.053 680 A CA -0.457 51.903 52.037 0.540 0.000 0.726 680 A CB 1.668 20.973 19.000 0.509 0.000 1.229 680 A HN 1.104 nan 8.150 nan 0.000 0.431 681 G N -0.013 109.112 108.800 0.541 0.000 2.664 681 G HA2 0.883 4.843 3.960 0.000 0.000 0.303 681 G HA3 0.883 4.843 3.960 0.000 0.000 0.303 681 G C -1.098 174.184 174.900 0.637 0.000 1.243 681 G CA 0.145 45.564 45.100 0.532 0.000 0.826 681 G HN 2.056 nan 8.290 nan 0.000 0.498 682 F N -2.416 117.690 119.950 0.259 0.000 2.822 682 F HA 0.574 5.101 4.527 0.000 0.000 0.323 682 F C -1.599 174.267 175.800 0.110 0.000 1.133 682 F CA -1.306 56.804 58.000 0.183 0.000 0.941 682 F CB 0.776 39.852 39.000 0.126 0.000 1.263 682 F HN 0.683 nan 8.300 nan 0.000 0.451 683 L N 2.966 124.289 121.223 0.166 0.000 2.397 683 L HA 0.465 4.805 4.340 0.000 0.000 0.271 683 L C -0.648 176.289 176.870 0.112 0.000 1.148 683 L CA 0.263 55.115 54.840 0.020 0.000 0.825 683 L CB 0.629 42.699 42.059 0.018 0.000 1.117 683 L HN 0.845 nan 8.230 nan 0.000 0.456 684 H N 5.561 124.486 119.070 -0.240 0.000 2.727 684 H HA 0.449 5.005 4.556 0.000 0.000 0.330 684 H C -1.139 173.994 175.328 -0.324 0.000 0.986 684 H CA -0.978 54.942 56.048 -0.215 0.000 1.251 684 H CB 1.009 30.601 29.762 -0.284 0.000 1.493 684 H HN 0.634 nan 8.280 nan 0.000 0.515 685 I N 7.714 128.356 120.570 0.119 0.000 2.347 685 I HA 0.229 4.399 4.170 0.000 0.000 0.283 685 I C -2.336 173.859 176.117 0.130 0.000 1.058 685 I CA -2.120 59.179 61.300 -0.001 0.000 1.202 685 I CB 1.033 39.042 38.000 0.016 0.000 1.386 685 I HN 0.439 nan 8.210 nan 0.000 0.475 686 P HA -0.045 nan 4.420 nan 0.000 0.263 686 P C -1.023 176.342 177.300 0.107 0.000 1.168 686 P CA 0.727 63.776 63.100 -0.085 0.000 0.759 686 P CB 0.142 31.744 31.700 -0.162 0.000 0.782 687 H N 0.160 119.259 119.070 0.049 0.000 2.949 687 H HA 0.709 5.265 4.556 0.000 0.000 0.356 687 H C 1.085 176.428 175.328 0.024 0.000 1.212 687 H CA -0.993 55.070 56.048 0.025 0.000 1.136 687 H CB 0.504 30.280 29.762 0.024 0.000 1.869 687 H HN 0.224 nan 8.280 nan 0.000 0.556 688 A N 0.841 123.720 122.820 0.098 0.000 1.909 688 A HA -0.350 3.970 4.320 0.000 0.000 0.221 688 A C 1.751 179.329 177.584 -0.011 0.000 1.223 688 A CA 2.461 54.519 52.037 0.035 0.000 0.658 688 A CB -1.136 17.898 19.000 0.057 0.000 0.831 688 A HN 0.875 nan 8.150 nan 0.000 0.462 689 E N 0.453 120.676 120.200 0.038 0.000 2.393 689 E HA -0.148 4.202 4.350 0.000 0.000 0.201 689 E C 0.861 177.382 176.600 -0.131 0.000 1.025 689 E CA 1.146 57.544 56.400 -0.005 0.000 0.856 689 E CB -0.235 29.545 29.700 0.133 0.000 0.771 689 E HN 0.603 nan 8.360 nan 0.000 0.526 690 D N -0.236 120.016 120.400 -0.247 0.000 2.336 690 D HA -0.009 4.631 4.640 0.000 0.000 0.229 690 D C -0.049 176.171 176.300 -0.132 0.000 1.061 690 D CA 0.349 54.229 54.000 -0.199 0.000 0.875 690 D CB 0.323 41.011 40.800 -0.187 0.000 0.904 690 D HN 0.124 nan 8.370 nan 0.000 0.525 691 I N 2.129 122.639 120.570 -0.101 0.000 2.378 691 I HA 0.132 4.302 4.170 0.000 0.000 0.291 691 I C -1.210 174.865 176.117 -0.069 0.000 0.992 691 I CA -2.150 59.106 61.300 -0.073 0.000 1.154 691 I CB 1.651 39.629 38.000 -0.036 0.000 1.315 691 I HN -0.265 nan 8.210 nan 0.000 0.448 692 P HA -0.003 nan 4.420 nan 0.000 0.224 692 P C 0.063 177.119 177.300 -0.406 0.000 1.157 692 P CA 0.887 63.900 63.100 -0.145 0.000 0.799 692 P CB 0.900 32.539 31.700 -0.101 0.000 0.809 693 N N -1.299 117.196 118.700 -0.343 0.000 2.312 693 N HA 0.279 5.019 4.740 0.000 0.000 0.296 693 N C -0.884 174.489 175.510 -0.229 0.000 1.193 693 N CA -0.541 52.276 53.050 -0.388 0.000 0.773 693 N CB 1.798 40.054 38.487 -0.386 0.000 1.435 693 N HN -0.276 nan 8.380 nan 0.000 0.484 694 T N 1.068 115.505 114.554 -0.195 0.000 2.771 694 T HA 0.257 4.607 4.350 0.000 0.000 0.291 694 T C 0.364 174.976 174.700 -0.146 0.000 0.954 694 T CA -0.633 61.388 62.100 -0.131 0.000 1.045 694 T CB 0.681 69.522 68.868 -0.045 0.000 0.917 694 T HN 0.294 nan 8.240 nan 0.000 0.484 695 V N 2.009 121.845 119.914 -0.131 0.000 2.904 695 V HA 0.444 4.564 4.120 0.000 0.000 0.305 695 V C 1.504 177.525 176.094 -0.122 0.000 1.067 695 V CA -0.231 61.993 62.300 -0.127 0.000 1.044 695 V CB 0.765 32.526 31.823 -0.103 0.000 1.050 695 V HN 0.967 nan 8.190 nan 0.000 0.475 696 T N -0.735 113.743 114.554 -0.127 0.000 3.055 696 T HA 0.033 4.383 4.350 0.000 0.000 0.265 696 T C 0.691 175.384 174.700 -0.011 0.000 1.111 696 T CA 0.480 62.537 62.100 -0.071 0.000 1.118 696 T CB -0.472 68.221 68.868 -0.292 0.000 0.909 696 T HN 0.663 nan 8.240 nan 0.000 0.501 697 V N 2.830 122.704 119.914 -0.067 0.000 2.611 697 V HA 0.270 4.390 4.120 0.000 0.000 0.296 697 V C 1.836 177.876 176.094 -0.089 0.000 1.006 697 V CA 1.077 63.343 62.300 -0.058 0.000 1.194 697 V CB -1.149 30.635 31.823 -0.064 0.000 0.871 697 V HN 0.883 nan 8.190 nan 0.000 0.470 698 G N 4.666 113.424 108.800 -0.070 0.000 2.180 698 G HA2 -0.314 3.646 3.960 0.000 0.000 0.263 698 G HA3 -0.314 3.646 3.960 0.000 0.000 0.263 698 G C 0.595 175.328 174.900 -0.278 0.000 0.989 698 G CA 0.579 45.599 45.100 -0.134 0.000 0.692 698 G HN 0.711 nan 8.290 nan 0.000 0.526 699 N N 0.382 118.899 118.700 -0.305 0.000 2.204 699 N HA 0.233 4.973 4.740 0.000 0.000 0.219 699 N C 1.027 176.142 175.510 -0.657 0.000 1.151 699 N CA 0.678 53.373 53.050 -0.591 0.000 0.867 699 N CB 0.744 38.926 38.487 -0.508 0.000 1.043 699 N HN 0.516 nan 8.380 nan 0.000 0.516 700 G N 1.060 109.482 108.800 -0.629 0.000 2.327 700 G HA2 0.456 4.416 3.960 0.000 0.000 0.302 700 G HA3 0.456 4.416 3.960 0.000 0.000 0.302 700 G C 0.315 174.721 174.900 -0.824 0.000 1.113 700 G CA -0.267 44.025 45.100 -1.348 0.000 0.921 700 G HN -0.004 nan 8.290 nan 0.000 0.425 701 V N 1.315 120.770 119.914 -0.766 0.000 3.096 701 V HA 1.073 5.193 4.120 0.000 0.000 0.319 701 V C 0.648 176.540 176.094 -0.338 0.000 1.103 701 V CA 0.143 62.216 62.300 -0.377 0.000 1.016 701 V CB 1.414 33.179 31.823 -0.097 0.000 1.090 701 V HN 1.416 nan 8.190 nan 0.000 0.449 702 G N 0.823 109.491 108.800 -0.221 0.000 2.492 702 G HA2 0.522 4.482 3.960 0.000 0.000 0.065 702 G HA3 0.522 4.482 3.960 0.000 0.000 0.065 702 G C -0.924 173.792 174.900 -0.307 0.000 0.956 702 G CA 0.392 45.230 45.100 -0.437 0.000 1.223 702 G HN 2.112 nan 8.290 nan 0.000 0.511 703 F N -2.171 117.555 119.950 -0.373 0.000 3.069 703 F HA 0.755 5.282 4.527 0.000 0.000 0.333 703 F C -2.282 173.299 175.800 -0.366 0.000 1.111 703 F CA -2.171 55.688 58.000 -0.235 0.000 0.868 703 F CB 0.324 39.213 39.000 -0.186 0.000 1.409 703 F HN 0.543 nan 8.300 nan 0.000 0.450 704 F N 1.426 121.469 119.950 0.156 0.000 2.563 704 F HA 0.742 5.269 4.527 0.000 0.000 0.316 704 F C -0.684 175.178 175.800 0.104 0.000 1.076 704 F CA -0.994 57.032 58.000 0.045 0.000 0.921 704 F CB 2.267 41.219 39.000 -0.080 0.000 1.209 704 F HN 0.484 nan 8.300 nan 0.000 0.462 705 L N 3.564 124.966 121.223 0.298 0.000 2.313 705 L HA 0.533 4.873 4.340 0.000 0.000 0.273 705 L C -0.499 176.568 176.870 0.329 0.000 1.028 705 L CA -0.455 54.571 54.840 0.310 0.000 0.871 705 L CB 1.130 43.342 42.059 0.254 0.000 1.242 705 L HN 0.545 nan 8.230 nan 0.000 0.434 706 R N 4.240 124.801 120.500 0.100 0.000 2.407 706 R HA 0.421 4.761 4.340 0.000 0.000 0.303 706 R C -2.379 173.535 176.300 -0.643 0.000 0.981 706 R CA -1.584 54.415 56.100 -0.167 0.000 0.905 706 R CB 1.373 31.590 30.300 -0.138 0.000 1.099 706 R HN 0.241 nan 8.270 nan 0.000 0.459 707 P HA -0.077 nan 4.420 nan 0.000 0.268 707 P C -1.438 175.693 177.300 -0.283 0.000 1.205 707 P CA 0.319 62.833 63.100 -0.977 0.000 0.771 707 P CB 0.475 32.006 31.700 -0.282 0.000 0.858 708 Y N 3.303 123.411 120.300 -0.319 0.000 2.344 708 Y HA 0.209 4.759 4.550 0.000 0.000 0.328 708 Y C 0.305 176.119 175.900 -0.142 0.000 1.067 708 Y CA -0.413 57.554 58.100 -0.221 0.000 1.247 708 Y CB 0.377 38.619 38.460 -0.364 0.000 1.113 708 Y HN 0.372 nan 8.280 nan 0.000 0.465 709 N N 3.470 121.961 118.700 -0.348 0.000 2.741 709 N HA -0.307 4.433 4.740 0.000 0.000 0.251 709 N C 0.361 175.853 175.510 -0.029 0.000 1.112 709 N CA 1.588 54.513 53.050 -0.207 0.000 0.750 709 N CB -1.515 36.772 38.487 -0.334 0.000 1.119 709 N HN 0.763 nan 8.380 nan 0.000 0.561 710 F N -0.211 119.631 119.950 -0.180 0.000 2.387 710 F HA 0.275 4.802 4.527 0.000 0.000 0.294 710 F C 0.770 176.358 175.800 -0.353 0.000 1.093 710 F CA 0.539 58.373 58.000 -0.277 0.000 1.420 710 F CB 0.193 38.917 39.000 -0.460 0.000 1.086 710 F HN -0.022 nan 8.300 nan 0.000 0.531 711 F N 0.214 120.381 119.950 0.362 0.000 2.461 711 F HA 0.265 4.792 4.527 0.000 0.000 0.337 711 F C 1.333 177.255 175.800 0.204 0.000 1.079 711 F CA -0.870 57.308 58.000 0.297 0.000 1.032 711 F CB 0.285 39.474 39.000 0.315 0.000 1.327 711 F HN -0.340 nan 8.300 nan 0.000 0.491 712 D N -0.265 120.403 120.400 0.447 0.000 2.350 712 D HA 0.077 4.717 4.640 0.000 0.000 0.213 712 D C -0.005 176.556 176.300 0.435 0.000 1.031 712 D CA 0.623 54.873 54.000 0.415 0.000 0.861 712 D CB 0.205 41.175 40.800 0.283 0.000 0.926 712 D HN 0.698 nan 8.370 nan 0.000 0.520 713 E N -1.062 119.346 120.200 0.346 0.000 2.310 713 E HA 0.044 4.394 4.350 0.000 0.000 0.264 713 E C -1.546 175.138 176.600 0.141 0.000 1.309 713 E CA -0.804 55.703 56.400 0.178 0.000 0.900 713 E CB 0.194 29.950 29.700 0.093 0.000 1.496 713 E HN -0.278 nan 8.360 nan 0.000 0.433 714 D N 1.873 122.291 120.400 0.030 0.000 2.349 714 D HA 0.127 4.767 4.640 0.000 0.000 0.266 714 D C -1.182 175.122 176.300 0.006 0.000 1.293 714 D CA -2.153 51.847 54.000 -0.000 0.000 0.926 714 D CB 1.029 41.817 40.800 -0.020 0.000 1.090 714 D HN 0.205 nan 8.370 nan 0.000 0.502 715 P HA -0.144 nan 4.420 nan 0.000 0.226 715 P C 0.836 178.225 177.300 0.149 0.000 1.146 715 P CA 0.622 63.746 63.100 0.040 0.000 0.773 715 P CB 0.072 31.616 31.700 -0.259 0.000 0.772 716 S N -1.902 113.847 115.700 0.082 0.000 2.603 716 S HA -0.039 4.431 4.470 0.000 0.000 0.220 716 S C 1.584 176.210 174.600 0.042 0.000 0.967 716 S CA -0.449 57.804 58.200 0.088 0.000 0.920 716 S CB -1.377 61.876 63.200 0.089 0.000 0.773 716 S HN -0.016 nan 8.310 nan 0.000 0.529 717 F N 2.434 122.262 119.950 -0.203 0.000 2.234 717 F HA 0.088 4.615 4.527 0.000 0.000 0.299 717 F C 1.200 176.784 175.800 -0.361 0.000 1.087 717 F CA 0.543 58.333 58.000 -0.350 0.000 1.340 717 F CB -0.544 38.112 39.000 -0.574 0.000 1.031 717 F HN 0.261 nan 8.300 nan 0.000 0.500 718 Y N -0.064 120.143 120.300 -0.156 0.000 2.502 718 Y HA 0.164 4.714 4.550 0.000 0.000 0.295 718 Y C 1.502 177.305 175.900 -0.161 0.000 1.193 718 Y CA 0.187 58.144 58.100 -0.239 0.000 1.295 718 Y CB -0.772 37.624 38.460 -0.106 0.000 1.059 718 Y HN -0.065 nan 8.280 nan 0.000 0.514 719 S N 0.873 116.563 115.700 -0.016 0.000 2.563 719 S HA 0.129 4.599 4.470 0.000 0.000 0.294 719 S C 1.452 176.045 174.600 -0.013 0.000 1.279 719 S CA 0.200 58.406 58.200 0.010 0.000 1.069 719 S CB 0.775 63.991 63.200 0.026 0.000 0.828 719 S HN 0.499 nan 8.310 nan 0.000 0.497 720 A N 4.103 126.928 122.820 0.008 0.000 2.066 720 A HA 0.030 4.350 4.320 0.000 0.000 0.218 720 A C 1.427 179.024 177.584 0.022 0.000 1.157 720 A CA 1.049 53.090 52.037 0.007 0.000 0.670 720 A CB -0.179 18.830 19.000 0.014 0.000 0.804 720 A HN 0.868 nan 8.150 nan 0.000 0.453 721 D N -0.027 120.393 120.400 0.035 0.000 2.328 721 D HA 0.083 4.723 4.640 0.000 0.000 0.221 721 D C 0.676 177.013 176.300 0.062 0.000 1.072 721 D CA 0.256 54.287 54.000 0.052 0.000 0.850 721 D CB 0.030 40.864 40.800 0.058 0.000 0.922 721 D HN 0.297 nan 8.370 nan 0.000 0.516 722 S N 0.436 116.160 115.700 0.041 0.000 2.576 722 S HA 0.187 4.657 4.470 0.000 0.000 0.272 722 S C 0.007 174.669 174.600 0.103 0.000 1.352 722 S CA -0.238 57.992 58.200 0.049 0.000 1.021 722 S CB 0.485 63.669 63.200 -0.027 0.000 0.887 722 S HN -0.024 nan 8.310 nan 0.000 0.542 723 I N 2.863 123.527 120.570 0.157 0.000 2.785 723 I HA 0.546 4.716 4.170 0.000 0.000 0.302 723 I C -0.760 175.545 176.117 0.313 0.000 1.069 723 I CA -0.541 60.913 61.300 0.258 0.000 1.045 723 I CB 1.601 39.810 38.000 0.348 0.000 1.236 723 I HN 0.842 nan 8.210 nan 0.000 0.429 724 Y N 5.558 125.994 120.300 0.226 0.000 2.624 724 Y HA 0.681 5.231 4.550 0.000 0.000 0.334 724 Y C -1.248 174.850 175.900 0.329 0.000 1.155 724 Y CA -1.158 57.024 58.100 0.137 0.000 1.046 724 Y CB 1.882 40.389 38.460 0.078 0.000 1.316 724 Y HN 0.559 nan 8.280 nan 0.000 0.457 725 F N 0.069 119.517 119.950 -0.836 0.000 3.601 725 F HA 0.642 5.169 4.527 0.000 0.000 0.320 725 F C -2.404 173.143 175.800 -0.422 0.000 0.977 725 F CA -1.690 56.052 58.000 -0.430 0.000 0.806 725 F CB 0.799 39.734 39.000 -0.108 0.000 1.789 725 F HN 0.428 nan 8.300 nan 0.000 0.434 726 R N 0.854 121.523 120.500 0.282 0.000 2.604 726 R HA 0.630 4.970 4.340 0.000 0.000 0.281 726 R C 0.121 176.582 176.300 0.270 0.000 1.020 726 R CA -0.540 55.667 56.100 0.178 0.000 0.899 726 R CB 1.691 32.063 30.300 0.121 0.000 1.205 726 R HN 1.774 nan 8.270 nan 0.000 0.450 727 G N 2.479 111.398 108.800 0.198 0.000 2.669 727 G HA2 -0.313 3.647 3.960 0.000 0.000 0.250 727 G HA3 -0.313 3.647 3.960 0.000 0.000 0.250 727 G C -0.686 174.342 174.900 0.213 0.000 1.247 727 G CA 0.421 45.613 45.100 0.154 0.000 0.958 727 G HN 0.669 nan 8.290 nan 0.000 0.559 728 D N 0.346 120.808 120.400 0.104 0.000 2.385 728 D HA 0.778 5.418 4.640 0.000 0.000 0.254 728 D C 0.338 176.519 176.300 -0.198 0.000 1.053 728 D CA 1.726 55.746 54.000 0.032 0.000 0.992 728 D CB 1.328 42.116 40.800 -0.019 0.000 1.145 728 D HN 1.477 nan 8.370 nan 0.000 0.523 729 Q N 0.000 119.624 119.800 -0.294 0.000 2.315 729 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 729 Q CA 0.000 nan 55.803 nan 0.000 1.022 729 Q CB 0.000 nan 28.738 nan 0.000 1.108 729 Q HN 0.000 nan 8.270 nan 0.000 0.481