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_A 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 0.000 175.962 176.000 -0.063 0.000 1.003 58 Q CA 0.000 55.799 55.803 -0.006 0.000 1.022 58 Q CB 0.000 28.720 28.738 -0.030 0.000 1.108 59 L N -0.670 120.480 121.223 -0.122 0.000 2.567 59 L HA 0.323 4.666 4.340 0.006 0.000 0.225 59 L C 0.307 176.844 176.870 -0.555 0.000 1.119 59 L CA 1.281 55.929 54.840 -0.319 0.000 0.871 59 L CB 0.222 42.067 42.059 -0.357 0.000 1.036 59 L HN 0.416 nan 8.230 nan 0.000 0.459 60 F N 0.314 120.154 119.950 -0.183 0.000 2.720 60 F HA 0.482 5.013 4.527 0.005 0.000 0.301 60 F C 1.658 177.344 175.800 -0.191 0.000 1.103 60 F CA -0.093 57.712 58.000 -0.325 0.000 1.291 60 F CB -0.260 38.457 39.000 -0.472 0.000 1.086 60 F HN 0.047 nan 8.300 nan 0.000 0.592 61 A N 0.876 123.695 122.820 -0.002 0.000 2.540 61 A HA 0.054 4.377 4.320 0.006 0.000 0.239 61 A C 0.039 177.634 177.584 0.019 0.000 1.061 61 A CA -0.261 51.760 52.037 -0.028 0.000 0.758 61 A CB -0.174 18.791 19.000 -0.059 0.000 0.991 61 A HN 0.114 nan 8.150 nan 0.000 0.502 62 D N 0.945 121.396 120.400 0.085 0.000 2.400 62 D HA 0.223 4.866 4.640 0.006 0.000 0.238 62 D C 0.465 176.809 176.300 0.073 0.000 1.157 62 D CA 0.307 54.395 54.000 0.147 0.000 0.889 62 D CB 0.423 41.418 40.800 0.324 0.000 1.199 62 D HN 0.439 nan 8.370 nan 0.000 0.436 63 L N 1.089 122.333 121.223 0.035 0.000 2.456 63 L HA 0.091 4.435 4.340 0.006 0.000 0.272 63 L C 1.105 177.984 176.870 0.015 0.000 1.189 63 L CA 0.024 54.862 54.840 -0.004 0.000 0.846 63 L CB 0.454 42.493 42.059 -0.034 0.000 1.111 63 L HN 0.396 nan 8.230 nan 0.000 0.475 64 S N 2.043 117.743 115.700 -0.000 0.000 2.664 64 S HA 0.483 4.956 4.470 0.006 0.000 0.304 64 S C 0.867 175.352 174.600 -0.192 0.000 1.099 64 S CA -0.997 57.184 58.200 -0.031 0.000 1.003 64 S CB 1.956 65.136 63.200 -0.033 0.000 1.092 64 S HN 0.681 nan 8.310 nan 0.000 0.525 65 R N 1.233 121.506 120.500 -0.377 0.000 2.307 65 R HA -0.308 4.035 4.340 0.006 0.000 0.224 65 R C 1.771 177.956 176.300 -0.192 0.000 1.106 65 R CA 2.468 58.388 56.100 -0.300 0.000 0.840 65 R CB -1.600 28.487 30.300 -0.354 0.000 0.952 65 R HN 0.764 nan 8.270 nan 0.000 0.401 66 E N 0.720 120.815 120.200 -0.176 0.000 2.095 66 E HA -0.244 4.109 4.350 0.006 0.000 0.212 66 E C 2.022 178.544 176.600 -0.130 0.000 1.044 66 E CA 2.203 58.522 56.400 -0.136 0.000 0.857 66 E CB -0.296 29.325 29.700 -0.131 0.000 0.764 66 E HN 0.517 nan 8.360 nan 0.000 0.462 67 E N 0.164 120.285 120.200 -0.132 0.000 2.058 67 E HA -0.182 4.171 4.350 0.006 0.000 0.194 67 E C 2.334 178.875 176.600 -0.099 0.000 0.997 67 E CA 1.073 57.400 56.400 -0.121 0.000 0.801 67 E CB -0.292 29.344 29.700 -0.106 0.000 0.746 67 E HN 0.241 nan 8.360 nan 0.000 0.450 68 L N 0.880 122.043 121.223 -0.100 0.000 2.017 68 L HA -0.169 4.174 4.340 0.006 0.000 0.208 68 L C 2.696 179.526 176.870 -0.067 0.000 1.073 68 L CA 1.388 56.177 54.840 -0.084 0.000 0.745 68 L CB -0.681 41.310 42.059 -0.114 0.000 0.894 68 L HN 0.145 nan 8.230 nan 0.000 0.432 69 T N 0.003 114.508 114.554 -0.082 0.000 2.607 69 T HA -0.270 4.083 4.350 0.006 0.000 0.267 69 T C 2.025 176.709 174.700 -0.026 0.000 1.049 69 T CA 1.537 63.602 62.100 -0.058 0.000 1.162 69 T CB -0.452 68.374 68.868 -0.070 0.000 0.863 69 T HN 0.461 nan 8.240 nan 0.000 0.424 70 A N 0.965 123.758 122.820 -0.044 0.000 1.927 70 A HA -0.150 4.174 4.320 0.006 0.000 0.220 70 A C 2.607 180.212 177.584 0.034 0.000 1.185 70 A CA 2.066 54.088 52.037 -0.024 0.000 0.639 70 A CB -1.181 17.762 19.000 -0.096 0.000 0.820 70 A HN 0.395 nan 8.150 nan 0.000 0.451 71 V N -0.939 118.983 119.914 0.013 0.000 2.379 71 V HA -0.246 3.877 4.120 0.006 0.000 0.245 71 V C 2.498 178.673 176.094 0.135 0.000 1.044 71 V CA 2.180 64.524 62.300 0.073 0.000 1.036 71 V CB -0.726 31.110 31.823 0.022 0.000 0.664 71 V HN 0.664 nan 8.190 nan 0.000 0.453 72 M N 0.906 120.544 119.600 0.063 0.000 2.059 72 M HA -0.144 4.340 4.480 0.006 0.000 0.259 72 M C 2.304 178.640 176.300 0.059 0.000 1.072 72 M CA 2.009 57.339 55.300 0.049 0.000 1.117 72 M CB -0.945 31.660 32.600 0.010 0.000 1.320 72 M HN 0.222 nan 8.290 nan 0.000 0.408 73 R N -1.027 119.507 120.500 0.057 0.000 2.134 73 R HA -0.259 4.084 4.340 0.006 0.000 0.248 73 R C 2.206 178.555 176.300 0.082 0.000 1.143 73 R CA 2.389 58.523 56.100 0.058 0.000 0.957 73 R CB -1.007 29.330 30.300 0.062 0.000 0.867 73 R HN 0.490 nan 8.270 nan 0.000 0.441 74 F N 0.962 120.911 119.950 -0.002 0.000 2.234 74 F HA -0.049 4.481 4.527 0.006 0.000 0.299 74 F C 1.808 177.618 175.800 0.017 0.000 1.087 74 F CA 1.105 59.108 58.000 0.005 0.000 1.340 74 F CB -0.044 38.950 39.000 -0.010 0.000 1.031 74 F HN 0.002 nan 8.300 nan 0.000 0.500 75 L N -0.243 120.967 121.223 -0.021 0.000 2.044 75 L HA -0.180 4.164 4.340 0.006 0.000 0.205 75 L C 2.595 179.405 176.870 -0.101 0.000 1.075 75 L CA 1.770 56.568 54.840 -0.071 0.000 0.747 75 L CB -1.201 40.891 42.059 0.054 0.000 0.903 75 L HN 0.238 nan 8.230 nan 0.000 0.435 76 T N -3.372 111.151 114.554 -0.051 0.000 2.977 76 T HA -0.189 4.165 4.350 0.006 0.000 0.271 76 T C 1.658 176.315 174.700 -0.072 0.000 1.105 76 T CA 0.973 63.053 62.100 -0.035 0.000 1.116 76 T CB -0.120 68.743 68.868 -0.009 0.000 0.878 76 T HN 0.386 nan 8.240 nan 0.000 0.509 77 Q N 0.235 119.948 119.800 -0.144 0.000 2.036 77 Q HA 0.143 4.486 4.340 0.006 0.000 0.195 77 Q C 2.736 178.610 176.000 -0.210 0.000 0.971 77 Q CA 0.558 56.262 55.803 -0.165 0.000 0.826 77 Q CB 0.009 28.634 28.738 -0.188 0.000 0.896 77 Q HN 0.333 nan 8.270 nan 0.000 0.449 78 R N 0.540 120.809 120.500 -0.385 0.000 2.193 78 R HA 0.046 4.390 4.340 0.006 0.000 0.213 78 R C 2.079 178.297 176.300 -0.137 0.000 1.055 78 R CA 0.509 56.424 56.100 -0.308 0.000 0.995 78 R CB -0.071 29.913 30.300 -0.526 0.000 0.893 78 R HN 0.281 nan 8.270 nan 0.000 0.459 79 L N -0.375 120.790 121.223 -0.098 0.000 2.313 79 L HA 0.032 4.375 4.340 0.006 0.000 0.214 79 L C 1.122 178.001 176.870 0.016 0.000 1.119 79 L CA 0.654 55.503 54.840 0.014 0.000 0.809 79 L CB -0.210 41.891 42.059 0.071 0.000 0.933 79 L HN 0.336 nan 8.230 nan 0.000 0.449 80 G N -0.421 108.369 108.800 -0.017 0.000 2.627 80 G HA2 -0.217 3.746 3.960 0.006 0.000 0.214 80 G HA3 -0.217 3.746 3.960 0.006 0.000 0.214 80 G C -1.949 172.955 174.900 0.007 0.000 1.331 80 G CA -0.247 44.848 45.100 -0.008 0.000 0.891 80 G HN 0.049 nan 8.290 nan 0.000 0.539 81 P HA 0.037 nan 4.420 nan 0.000 0.210 81 P C 1.592 178.911 177.300 0.031 0.000 1.191 81 P CA 1.927 65.036 63.100 0.016 0.000 0.917 81 P CB -0.623 31.082 31.700 0.009 0.000 0.778 82 G N 1.142 109.964 108.800 0.037 0.000 2.662 82 G HA2 0.225 4.189 3.960 0.006 0.000 0.285 82 G HA3 0.225 4.189 3.960 0.006 0.000 0.285 82 G C -0.329 174.624 174.900 0.089 0.000 0.672 82 G CA 0.061 45.195 45.100 0.056 0.000 2.098 82 G HN 0.271 nan 8.290 nan 0.000 0.538 83 L N 3.483 124.753 121.223 0.078 0.000 2.534 83 L HA 0.349 4.693 4.340 0.006 0.000 0.259 83 L C -0.128 176.785 176.870 0.072 0.000 1.108 83 L CA -0.475 54.419 54.840 0.090 0.000 0.905 83 L CB 1.528 43.634 42.059 0.079 0.000 1.138 83 L HN 0.109 nan 8.230 nan 0.000 0.475 84 V N 0.696 120.658 119.914 0.081 0.000 3.133 84 V HA 0.204 4.327 4.120 0.006 0.000 0.305 84 V C 0.529 176.663 176.094 0.067 0.000 1.084 84 V CA -0.630 61.712 62.300 0.071 0.000 1.089 84 V CB 1.090 32.962 31.823 0.080 0.000 1.073 84 V HN 0.628 nan 8.190 nan 0.000 0.477 85 D N 1.588 122.025 120.400 0.062 0.000 2.342 85 D HA 0.164 4.808 4.640 0.006 0.000 0.260 85 D C 1.151 177.496 176.300 0.075 0.000 1.278 85 D CA 0.414 54.449 54.000 0.059 0.000 0.910 85 D CB 1.440 42.274 40.800 0.056 0.000 1.079 85 D HN 0.688 nan 8.370 nan 0.000 0.496 86 A N 4.270 127.129 122.820 0.065 0.000 2.104 86 A HA -0.244 4.079 4.320 0.006 0.000 0.223 86 A C 2.146 179.800 177.584 0.117 0.000 1.164 86 A CA 2.082 54.163 52.037 0.073 0.000 0.659 86 A CB -0.388 18.630 19.000 0.030 0.000 0.808 86 A HN 0.698 nan 8.150 nan 0.000 0.465 87 A N -1.075 121.819 122.820 0.123 0.000 1.972 87 A HA -0.167 4.157 4.320 0.006 0.000 0.219 87 A C 2.022 179.707 177.584 0.167 0.000 1.169 87 A CA 1.765 53.901 52.037 0.166 0.000 0.635 87 A CB -0.298 18.787 19.000 0.143 0.000 0.810 87 A HN 0.729 nan 8.150 nan 0.000 0.446 88 Q N -1.134 118.745 119.800 0.132 0.000 2.322 88 Q HA 0.509 4.852 4.340 0.006 0.000 0.250 88 Q C 0.769 176.845 176.000 0.127 0.000 0.853 88 Q CA 0.166 56.044 55.803 0.125 0.000 0.951 88 Q CB -0.022 28.773 28.738 0.096 0.000 1.114 88 Q HN 0.493 nan 8.270 nan 0.000 0.523 89 A N 2.240 125.134 122.820 0.123 0.000 2.622 89 A HA -0.135 4.189 4.320 0.006 0.000 0.236 89 A C 0.032 177.710 177.584 0.156 0.000 1.003 89 A CA 0.640 52.757 52.037 0.132 0.000 0.781 89 A CB 0.007 19.088 19.000 0.136 0.000 0.902 89 A HN 0.309 nan 8.150 nan 0.000 0.496 90 R N 2.981 123.571 120.500 0.150 0.000 2.598 90 R HA 0.359 4.702 4.340 0.006 0.000 0.279 90 R C -1.750 174.674 176.300 0.207 0.000 0.984 90 R CA -1.939 54.255 56.100 0.158 0.000 0.999 90 R CB 0.856 31.219 30.300 0.104 0.000 1.114 90 R HN 0.446 nan 8.270 nan 0.000 0.493 91 P HA -0.256 nan 4.420 nan 0.000 0.224 91 P C 0.467 177.946 177.300 0.297 0.000 1.153 91 P CA 1.715 65.007 63.100 0.320 0.000 0.947 91 P CB 0.084 31.974 31.700 0.317 0.000 0.790 92 S N -0.781 115.023 115.700 0.174 0.000 2.815 92 S HA 0.074 4.547 4.470 0.006 0.000 0.254 92 S C 0.077 174.736 174.600 0.099 0.000 1.197 92 S CA -0.215 58.042 58.200 0.095 0.000 1.216 92 S CB -1.231 61.999 63.200 0.050 0.000 0.871 92 S HN -0.028 nan 8.310 nan 0.000 0.473 93 D N 1.092 121.589 120.400 0.162 0.000 2.449 93 D HA 0.469 5.112 4.640 0.006 0.000 0.250 93 D C -0.641 175.786 176.300 0.212 0.000 1.050 93 D CA -0.556 53.539 54.000 0.159 0.000 1.024 93 D CB 0.940 41.834 40.800 0.157 0.000 1.218 93 D HN 0.145 nan 8.370 nan 0.000 0.566 94 N N -0.445 118.377 118.700 0.203 0.000 2.342 94 N HA 0.569 5.312 4.740 0.006 0.000 0.293 94 N C -0.925 174.698 175.510 0.188 0.000 1.026 94 N CA -0.398 52.812 53.050 0.267 0.000 0.857 94 N CB 1.148 39.821 38.487 0.309 0.000 1.256 94 N HN 0.476 nan 8.380 nan 0.000 0.484 95 C N -1.113 118.275 119.300 0.146 0.000 3.285 95 C HA 0.569 5.033 4.460 0.006 0.000 0.325 95 C C -0.667 174.311 174.990 -0.019 0.000 1.304 95 C CA -0.973 58.082 59.018 0.063 0.000 1.319 95 C CB 0.474 28.248 27.740 0.055 0.000 1.640 95 C HN 0.365 nan 8.230 nan 0.000 0.477 96 V N 3.016 122.922 119.914 -0.014 0.000 2.353 96 V HA 0.199 4.322 4.120 0.006 0.000 0.264 96 V C 0.784 176.847 176.094 -0.051 0.000 1.049 96 V CA 0.212 62.498 62.300 -0.024 0.000 0.896 96 V CB 0.353 32.181 31.823 0.008 0.000 1.025 96 V HN 0.870 nan 8.190 nan 0.000 0.475 97 F N 4.134 123.885 119.950 -0.331 0.000 2.234 97 F HA 0.038 4.569 4.527 0.006 0.000 0.299 97 F C 1.167 176.893 175.800 -0.124 0.000 1.087 97 F CA 0.744 58.486 58.000 -0.429 0.000 1.340 97 F CB 0.360 38.846 39.000 -0.857 0.000 1.031 97 F HN 0.597 nan 8.300 nan 0.000 0.500 98 S N -1.227 114.414 115.700 -0.098 0.000 2.578 98 S HA 0.534 5.008 4.470 0.006 0.000 0.285 98 S C -1.506 173.109 174.600 0.025 0.000 1.126 98 S CA -1.010 57.126 58.200 -0.106 0.000 0.878 98 S CB 1.211 64.332 63.200 -0.130 0.000 1.091 98 S HN -0.103 nan 8.310 nan 0.000 0.450 99 V N 2.252 122.169 119.914 0.005 0.000 2.380 99 V HA 0.602 4.725 4.120 0.006 0.000 0.286 99 V C -0.020 176.085 176.094 0.018 0.000 1.015 99 V CA -0.186 62.131 62.300 0.029 0.000 0.834 99 V CB 1.020 32.848 31.823 0.008 0.000 1.009 99 V HN 0.960 nan 8.190 nan 0.000 0.428 100 E N 2.565 122.801 120.200 0.060 0.000 2.370 100 E HA 0.591 4.945 4.350 0.006 0.000 0.259 100 E C -1.311 175.331 176.600 0.071 0.000 0.947 100 E CA -1.183 55.253 56.400 0.061 0.000 0.809 100 E CB 2.304 32.064 29.700 0.100 0.000 1.300 100 E HN 0.490 nan 8.360 nan 0.000 0.419 101 L N 2.524 123.796 121.223 0.081 0.000 2.313 101 L HA 0.190 4.534 4.340 0.006 0.000 0.282 101 L C -0.554 176.372 176.870 0.092 0.000 1.092 101 L CA 0.031 54.911 54.840 0.067 0.000 0.831 101 L CB 0.832 42.930 42.059 0.065 0.000 1.159 101 L HN 0.344 nan 8.230 nan 0.000 0.442 102 Q N 4.729 124.572 119.800 0.073 0.000 2.337 102 Q HA 0.345 4.689 4.340 0.006 0.000 0.255 102 Q C -1.083 174.956 176.000 0.065 0.000 0.997 102 Q CA 0.110 55.969 55.803 0.094 0.000 0.925 102 Q CB 0.414 29.206 28.738 0.089 0.000 1.212 102 Q HN 0.771 nan 8.270 nan 0.000 0.436 103 L N 7.527 128.807 121.223 0.095 0.000 2.513 103 L HA 0.195 4.538 4.340 0.006 0.000 0.272 103 L C -1.572 175.330 176.870 0.054 0.000 1.187 103 L CA -1.325 53.556 54.840 0.067 0.000 0.895 103 L CB 0.056 42.213 42.059 0.164 0.000 1.147 103 L HN 0.662 nan 8.230 nan 0.000 0.483 104 P HA 0.077 nan 4.420 nan 0.000 0.267 104 P C -2.526 174.818 177.300 0.074 0.000 1.200 104 P CA -1.135 61.952 63.100 -0.022 0.000 0.772 104 P CB -0.171 31.434 31.700 -0.159 0.000 0.855 105 P HA 0.028 nan 4.420 nan 0.000 0.267 105 P C 0.948 178.296 177.300 0.079 0.000 1.209 105 P CA 0.030 63.172 63.100 0.071 0.000 0.763 105 P CB 0.929 32.652 31.700 0.038 0.000 0.816 106 K N 3.730 124.172 120.400 0.070 0.000 2.020 106 K HA -0.253 4.071 4.320 0.006 0.000 0.212 106 K C 1.977 178.521 176.600 -0.093 0.000 1.050 106 K CA 2.053 58.287 56.287 -0.089 0.000 0.929 106 K CB -0.705 31.586 32.500 -0.350 0.000 0.714 106 K HN 0.464 nan 8.250 nan 0.000 0.443 107 A N 0.953 123.734 122.820 -0.065 0.000 1.894 107 A HA -0.290 4.033 4.320 0.006 0.000 0.220 107 A C 2.375 179.961 177.584 0.004 0.000 1.237 107 A CA 2.830 54.846 52.037 -0.036 0.000 0.660 107 A CB -1.282 17.706 19.000 -0.020 0.000 0.835 107 A HN 0.587 nan 8.150 nan 0.000 0.461 108 A N -1.008 121.824 122.820 0.021 0.000 1.968 108 A HA 0.282 4.605 4.320 0.006 0.000 0.217 108 A C 2.474 180.104 177.584 0.076 0.000 1.169 108 A CA 1.874 53.935 52.037 0.040 0.000 0.638 108 A CB -0.919 18.095 19.000 0.022 0.000 0.812 108 A HN 1.174 nan 8.150 nan 0.000 0.446 109 A N 0.121 122.991 122.820 0.083 0.000 1.858 109 A HA -0.063 4.260 4.320 0.006 0.000 0.216 109 A C 2.151 179.861 177.584 0.210 0.000 1.190 109 A CA 1.557 53.679 52.037 0.142 0.000 0.617 109 A CB -0.624 18.528 19.000 0.253 0.000 0.827 109 A HN 0.466 nan 8.150 nan 0.000 0.443 110 L N -0.907 120.414 121.223 0.164 0.000 2.056 110 L HA -0.135 4.208 4.340 0.006 0.000 0.207 110 L C 3.120 180.046 176.870 0.093 0.000 1.078 110 L CA 0.851 55.774 54.840 0.139 0.000 0.749 110 L CB -0.763 41.326 42.059 0.049 0.000 0.901 110 L HN 0.442 nan 8.230 nan 0.000 0.433 111 A N 0.189 123.055 122.820 0.076 0.000 1.884 111 A HA -0.354 3.969 4.320 0.006 0.000 0.219 111 A C 2.150 179.787 177.584 0.089 0.000 1.197 111 A CA 2.578 54.656 52.037 0.068 0.000 0.637 111 A CB -0.955 18.083 19.000 0.063 0.000 0.827 111 A HN 0.579 nan 8.150 nan 0.000 0.450 112 H N -1.104 117.986 119.070 0.034 0.000 2.268 112 H HA -0.018 4.542 4.556 0.006 0.000 0.304 112 H C 1.803 177.160 175.328 0.049 0.000 1.064 112 H CA 1.571 57.637 56.048 0.029 0.000 1.316 112 H CB -0.667 29.102 29.762 0.011 0.000 1.386 112 H HN 0.223 nan 8.280 nan 0.000 0.496 113 L N 1.191 122.324 121.223 -0.149 0.000 2.077 113 L HA -0.278 4.065 4.340 0.006 0.000 0.231 113 L C 1.019 177.812 176.870 -0.129 0.000 1.100 113 L CA 2.721 57.485 54.840 -0.126 0.000 0.819 113 L CB -0.716 41.437 42.059 0.158 0.000 0.913 113 L HN 0.795 nan 8.230 nan 0.000 0.446 114 D N -2.984 117.395 120.400 -0.035 0.000 2.559 114 D HA 0.105 4.748 4.640 0.006 0.000 0.234 114 D C 1.498 177.783 176.300 -0.025 0.000 1.226 114 D CA -0.024 53.967 54.000 -0.014 0.000 0.830 114 D CB 0.253 41.079 40.800 0.042 0.000 1.028 114 D HN 0.418 nan 8.370 nan 0.000 0.492 115 R N -1.146 119.319 120.500 -0.058 0.000 3.749 115 R HA 0.392 4.736 4.340 0.006 0.000 0.142 115 R C 1.143 177.422 176.300 -0.035 0.000 0.750 115 R CA 0.632 56.715 56.100 -0.028 0.000 1.004 115 R CB 0.861 31.162 30.300 0.001 0.000 1.509 115 R HN 0.204 nan 8.270 nan 0.000 0.494 116 G N 0.311 109.084 108.800 -0.045 0.000 3.246 116 G HA2 -0.145 3.818 3.960 0.006 0.000 0.218 116 G HA3 -0.145 3.818 3.960 0.006 0.000 0.218 116 G C -0.000 174.972 174.900 0.120 0.000 0.978 116 G CA -0.229 44.874 45.100 0.005 0.000 0.825 116 G HN 0.192 nan 8.290 nan 0.000 0.546 117 S N 2.985 118.753 115.700 0.114 0.000 2.537 117 S HA 0.335 4.809 4.470 0.006 0.000 0.280 117 S C -1.923 172.814 174.600 0.228 0.000 1.335 117 S CA 0.301 58.582 58.200 0.135 0.000 1.025 117 S CB 0.657 63.917 63.200 0.100 0.000 0.836 117 S HN 0.414 nan 8.310 nan 0.000 0.523 118 P HA 0.166 nan 4.420 nan 0.000 0.271 118 P C -2.521 174.695 177.300 -0.140 0.000 1.226 118 P CA -1.360 61.731 63.100 -0.015 0.000 0.765 118 P CB -0.423 31.265 31.700 -0.020 0.000 0.835 119 P HA 0.078 nan 4.420 nan 0.000 0.265 119 P C -2.120 175.054 177.300 -0.210 0.000 1.187 119 P CA -0.846 61.939 63.100 -0.524 0.000 0.766 119 P CB -0.827 30.429 31.700 -0.739 0.000 0.820 120 P HA 0.109 nan 4.420 nan 0.000 0.274 120 P C -0.380 176.876 177.300 -0.074 0.000 1.237 120 P CA -0.345 62.709 63.100 -0.076 0.000 0.793 120 P CB 0.396 32.067 31.700 -0.049 0.000 0.977 121 A N 2.590 125.394 122.820 -0.026 0.000 2.550 121 A HA -0.071 4.252 4.320 0.006 0.000 0.263 121 A C 0.767 178.337 177.584 -0.023 0.000 1.065 121 A CA 0.145 52.184 52.037 0.004 0.000 0.786 121 A CB -0.798 18.261 19.000 0.098 0.000 0.985 121 A HN 0.474 nan 8.150 nan 0.000 0.518 122 R N 2.714 123.177 120.500 -0.061 0.000 2.446 122 R HA 0.154 4.498 4.340 0.006 0.000 0.325 122 R C -0.009 176.246 176.300 -0.075 0.000 0.997 122 R CA 0.974 57.024 56.100 -0.084 0.000 1.010 122 R CB -0.268 29.973 30.300 -0.100 0.000 0.946 122 R HN 0.820 nan 8.270 nan 0.000 0.422 123 E N 1.740 121.908 120.200 -0.053 0.000 2.334 123 E HA 0.774 5.127 4.350 0.006 0.000 0.256 123 E C -1.193 175.389 176.600 -0.030 0.000 0.958 123 E CA -1.351 55.023 56.400 -0.043 0.000 0.821 123 E CB 1.840 31.552 29.700 0.020 0.000 1.269 123 E HN 0.625 nan 8.360 nan 0.000 0.413 124 A N 1.182 123.993 122.820 -0.015 0.000 2.488 124 A HA 0.480 4.804 4.320 0.006 0.000 0.295 124 A C -1.858 175.761 177.584 0.058 0.000 1.045 124 A CA -0.599 51.447 52.037 0.016 0.000 0.703 124 A CB 0.997 19.991 19.000 -0.011 0.000 1.271 124 A HN 0.356 nan 8.150 nan 0.000 0.400 125 L N 2.380 123.662 121.223 0.100 0.000 2.264 125 L HA 0.804 5.148 4.340 0.006 0.000 0.289 125 L C 0.221 177.182 176.870 0.152 0.000 1.044 125 L CA 0.042 54.967 54.840 0.142 0.000 0.807 125 L CB 1.114 43.283 42.059 0.184 0.000 1.192 125 L HN 1.009 nan 8.230 nan 0.000 0.425 126 A N 6.395 129.305 122.820 0.150 0.000 2.330 126 A HA 0.782 5.105 4.320 0.006 0.000 0.327 126 A C -0.760 176.931 177.584 0.179 0.000 1.155 126 A CA -0.548 51.576 52.037 0.145 0.000 0.803 126 A CB 0.656 19.724 19.000 0.113 0.000 1.208 126 A HN 0.681 nan 8.150 nan 0.000 0.477 127 I N 2.445 123.141 120.570 0.211 0.000 2.378 127 I HA 0.447 4.620 4.170 0.006 0.000 0.291 127 I C -0.775 175.452 176.117 0.183 0.000 0.992 127 I CA -0.786 60.682 61.300 0.279 0.000 1.154 127 I CB 1.786 40.083 38.000 0.495 0.000 1.315 127 I HN 0.281 nan 8.210 nan 0.000 0.448 128 V N 6.520 126.479 119.914 0.075 0.000 2.604 128 V HA 0.413 4.536 4.120 0.006 0.000 0.305 128 V C -0.357 175.751 176.094 0.024 0.000 1.043 128 V CA -0.565 61.669 62.300 -0.110 0.000 0.888 128 V CB 2.075 33.627 31.823 -0.453 0.000 0.995 128 V HN 0.449 nan 8.190 nan 0.000 0.429 129 F N 4.137 124.023 119.950 -0.105 0.000 2.371 129 F HA 0.462 4.992 4.527 0.006 0.000 0.363 129 F C -0.015 175.865 175.800 0.132 0.000 1.122 129 F CA -0.496 57.565 58.000 0.102 0.000 1.129 129 F CB 0.741 39.836 39.000 0.159 0.000 1.173 129 F HN 0.394 nan 8.300 nan 0.000 0.489 130 F N 2.129 122.324 119.950 0.408 0.000 2.335 130 F HA 0.254 4.784 4.527 0.006 0.000 0.365 130 F C 1.087 176.808 175.800 -0.130 0.000 1.122 130 F CA -0.380 57.705 58.000 0.142 0.000 1.151 130 F CB 1.190 40.239 39.000 0.081 0.000 1.282 130 F HN 0.634 nan 8.300 nan 0.000 0.513 131 G N 2.610 111.443 108.800 0.055 0.000 2.724 131 G HA2 -0.026 3.937 3.960 0.006 0.000 0.205 131 G HA3 -0.026 3.937 3.960 0.006 0.000 0.205 131 G C 0.855 175.694 174.900 -0.101 0.000 1.112 131 G CA -0.335 44.594 45.100 -0.284 0.000 0.793 131 G HN 0.417 nan 8.290 nan 0.000 0.526 132 R N 1.643 122.159 120.500 0.026 0.000 4.154 132 R HA 0.212 4.556 4.340 0.006 0.000 0.186 132 R C -0.395 175.894 176.300 -0.018 0.000 1.750 132 R CA 0.147 56.257 56.100 0.017 0.000 1.431 132 R CB -0.718 29.614 30.300 0.053 0.000 1.383 132 R HN 0.597 nan 8.270 nan 0.000 0.788 133 Q N 0.111 119.880 119.800 -0.051 0.000 2.721 133 Q HA 0.253 4.597 4.340 0.006 0.000 0.282 133 Q C -2.569 173.391 176.000 -0.066 0.000 0.932 133 Q CA -1.405 54.358 55.803 -0.066 0.000 0.816 133 Q CB 1.480 30.162 28.738 -0.095 0.000 1.506 133 Q HN -0.009 nan 8.270 nan 0.000 0.399 134 P HA -0.174 nan 4.420 nan 0.000 0.215 134 P C -0.291 176.983 177.300 -0.044 0.000 1.153 134 P CA 1.361 64.435 63.100 -0.043 0.000 0.853 134 P CB 0.300 31.979 31.700 -0.036 0.000 0.788 135 Q N 0.954 120.727 119.800 -0.045 0.000 2.506 135 Q HA 0.322 4.665 4.340 0.006 0.000 0.242 135 Q C -2.333 173.643 176.000 -0.041 0.000 1.060 135 Q CA -1.933 53.850 55.803 -0.032 0.000 0.826 135 Q CB 1.623 30.351 28.738 -0.017 0.000 1.169 135 Q HN 0.356 nan 8.270 nan 0.000 0.521 136 P HA 0.080 nan 4.420 nan 0.000 0.282 136 P C -0.711 176.578 177.300 -0.019 0.000 1.262 136 P CA -0.182 62.813 63.100 -0.175 0.000 0.773 136 P CB 0.705 32.104 31.700 -0.502 0.000 0.879 137 N N 1.737 120.515 118.700 0.129 0.000 2.357 137 N HA 0.466 5.210 4.740 0.006 0.000 0.284 137 N C -1.606 174.099 175.510 0.324 0.000 1.236 137 N CA -1.143 52.043 53.050 0.228 0.000 0.774 137 N CB 1.870 40.468 38.487 0.185 0.000 1.534 137 N HN 0.141 nan 8.380 nan 0.000 0.478 138 V N 0.078 120.102 119.914 0.183 0.000 2.417 138 V HA 0.796 4.920 4.120 0.006 0.000 0.291 138 V C -1.018 175.091 176.094 0.024 0.000 1.024 138 V CA -0.087 62.281 62.300 0.114 0.000 0.861 138 V CB 0.873 32.668 31.823 -0.047 0.000 0.985 138 V HN 0.830 nan 8.190 nan 0.000 0.436 139 S N 4.575 120.292 115.700 0.029 0.000 2.566 139 S HA 0.587 5.061 4.470 0.006 0.000 0.298 139 S C -0.834 173.825 174.600 0.097 0.000 1.083 139 S CA -0.723 57.512 58.200 0.059 0.000 0.978 139 S CB 1.803 65.106 63.200 0.170 0.000 1.073 139 S HN 0.890 nan 8.310 nan 0.000 0.491 140 E N 1.631 121.907 120.200 0.126 0.000 2.134 140 E HA 0.444 4.797 4.350 0.006 0.000 0.278 140 E C -1.196 175.508 176.600 0.175 0.000 0.959 140 E CA -0.273 56.237 56.400 0.183 0.000 0.783 140 E CB 0.839 30.670 29.700 0.219 0.000 1.095 140 E HN 0.369 nan 8.360 nan 0.000 0.399 141 L N 3.117 124.445 121.223 0.174 0.000 2.356 141 L HA 0.461 4.804 4.340 0.006 0.000 0.277 141 L C -0.635 176.335 176.870 0.168 0.000 0.996 141 L CA -1.216 53.730 54.840 0.176 0.000 0.822 141 L CB 1.716 43.883 42.059 0.181 0.000 1.256 141 L HN 0.231 nan 8.230 nan 0.000 0.413 142 V N 3.907 123.924 119.914 0.172 0.000 2.385 142 V HA 0.264 4.388 4.120 0.006 0.000 0.269 142 V C 0.478 176.645 176.094 0.122 0.000 1.043 142 V CA -0.574 61.817 62.300 0.153 0.000 0.906 142 V CB 1.465 33.396 31.823 0.179 0.000 0.995 142 V HN 0.444 nan 8.190 nan 0.000 0.467 143 V N 4.148 124.075 119.914 0.022 0.000 2.834 143 V HA 0.501 4.624 4.120 0.006 0.000 0.301 143 V C 1.303 177.097 176.094 -0.500 0.000 1.066 143 V CA 0.109 62.328 62.300 -0.134 0.000 1.052 143 V CB 1.424 33.208 31.823 -0.066 0.000 1.021 143 V HN 0.988 nan 8.190 nan 0.000 0.480 144 G N 2.806 111.042 108.800 -0.939 0.000 2.750 144 G HA2 0.204 4.167 3.960 0.006 0.000 0.250 144 G HA3 0.204 4.167 3.960 0.006 0.000 0.250 144 G C -2.531 171.915 174.900 -0.755 0.000 1.230 144 G CA -0.879 43.313 45.100 -1.514 0.000 0.883 144 G HN 0.644 nan 8.290 nan 0.000 0.573 145 P HA 0.075 nan 4.420 nan 0.000 0.252 145 P C -0.067 177.129 177.300 -0.174 0.000 1.183 145 P CA -0.080 62.912 63.100 -0.180 0.000 0.973 145 P CB 0.008 31.691 31.700 -0.028 0.000 0.990 146 L N 6.624 127.742 121.223 -0.174 0.000 2.476 146 L HA 0.090 4.433 4.340 0.006 0.000 0.264 146 L C -0.764 176.027 176.870 -0.132 0.000 1.224 146 L CA -0.766 53.974 54.840 -0.167 0.000 0.821 146 L CB -0.439 41.529 42.059 -0.152 0.000 1.101 146 L HN 0.288 nan 8.230 nan 0.000 0.488 147 P HA -0.039 nan 4.420 nan 0.000 0.229 147 P C -0.586 176.462 177.300 -0.420 0.000 1.160 147 P CA 0.988 63.905 63.100 -0.305 0.000 0.777 147 P CB 0.193 31.671 31.700 -0.371 0.000 0.814 148 H N -0.771 118.235 119.070 -0.107 0.000 2.643 148 H HA 0.302 4.861 4.556 0.006 0.000 0.259 148 H C -2.247 172.960 175.328 -0.201 0.000 1.298 148 H CA -2.218 53.761 56.048 -0.115 0.000 1.301 148 H CB -0.233 29.485 29.762 -0.074 0.000 1.422 148 H HN 0.027 nan 8.280 nan 0.000 0.521 149 P HA -0.115 nan 4.420 nan 0.000 0.266 149 P C 0.506 177.426 177.300 -0.634 0.000 1.186 149 P CA 0.467 63.230 63.100 -0.562 0.000 0.767 149 P CB 1.152 32.384 31.700 -0.780 0.000 0.820 150 S N 1.388 116.682 115.700 -0.676 0.000 3.171 150 S HA 0.146 4.619 4.470 0.006 0.000 0.258 150 S C -0.066 174.432 174.600 -0.170 0.000 1.083 150 S CA -0.163 57.843 58.200 -0.323 0.000 0.801 150 S CB -0.184 62.987 63.200 -0.049 0.000 0.831 150 S HN 0.456 nan 8.310 nan 0.000 0.462 151 Y N 0.593 120.794 120.300 -0.166 0.000 2.730 151 Y HA 0.863 5.416 4.550 0.006 0.000 0.325 151 Y C -0.469 175.492 175.900 0.101 0.000 1.132 151 Y CA -1.492 56.624 58.100 0.025 0.000 1.206 151 Y CB 0.925 39.401 38.460 0.026 0.000 1.390 151 Y HN 0.181 nan 8.280 nan 0.000 0.555 152 M N 1.937 121.795 119.600 0.429 0.000 2.307 152 M HA 0.406 4.890 4.480 0.006 0.000 0.279 152 M C -2.214 174.268 176.300 0.304 0.000 1.080 152 M CA -0.423 55.082 55.300 0.341 0.000 0.964 152 M CB 2.179 34.996 32.600 0.362 0.000 1.825 152 M HN 1.002 nan 8.290 nan 0.000 0.489 153 R N 2.619 123.279 120.500 0.267 0.000 2.628 153 R HA 0.368 4.712 4.340 0.006 0.000 0.288 153 R C -1.712 174.695 176.300 0.177 0.000 0.980 153 R CA -0.473 55.746 56.100 0.198 0.000 0.891 153 R CB 1.819 32.221 30.300 0.169 0.000 1.188 153 R HN 0.836 nan 8.270 nan 0.000 0.450 154 D N 3.402 123.897 120.400 0.157 0.000 2.393 154 D HA 0.060 4.703 4.640 0.006 0.000 0.232 154 D C 1.177 177.557 176.300 0.133 0.000 1.192 154 D CA -0.223 53.872 54.000 0.157 0.000 0.882 154 D CB 1.259 42.155 40.800 0.160 0.000 1.038 154 D HN 0.356 nan 8.370 nan 0.000 0.499 155 V N 1.097 121.095 119.914 0.140 0.000 3.623 155 V HA 0.003 4.127 4.120 0.006 0.000 0.271 155 V C 1.755 177.928 176.094 0.132 0.000 1.248 155 V CA 0.552 62.927 62.300 0.125 0.000 1.156 155 V CB -0.573 31.328 31.823 0.129 0.000 0.870 155 V HN 0.433 nan 8.190 nan 0.000 0.453 156 T N 2.706 117.342 114.554 0.136 0.000 2.597 156 T HA -0.247 4.106 4.350 0.006 0.000 0.267 156 T C 1.981 176.755 174.700 0.125 0.000 1.053 156 T CA 2.709 64.888 62.100 0.131 0.000 1.165 156 T CB -0.635 68.279 68.868 0.078 0.000 0.863 156 T HN 0.712 nan 8.240 nan 0.000 0.427 157 V N 0.635 120.606 119.914 0.094 0.000 2.270 157 V HA -0.113 4.010 4.120 0.006 0.000 0.245 157 V C 2.340 178.478 176.094 0.073 0.000 1.043 157 V CA 1.992 64.338 62.300 0.077 0.000 1.014 157 V CB -1.074 30.786 31.823 0.062 0.000 0.645 157 V HN 0.475 nan 8.190 nan 0.000 0.447 158 E N 0.984 121.225 120.200 0.069 0.000 2.026 158 E HA -0.356 3.998 4.350 0.006 0.000 0.206 158 E C 2.465 179.091 176.600 0.044 0.000 1.028 158 E CA 2.475 58.907 56.400 0.054 0.000 0.845 158 E CB -0.260 29.475 29.700 0.058 0.000 0.772 158 E HN 0.604 nan 8.360 nan 0.000 0.462 159 R N -0.552 119.977 120.500 0.049 0.000 2.096 159 R HA -0.165 4.179 4.340 0.006 0.000 0.229 159 R C 2.403 178.651 176.300 -0.085 0.000 1.134 159 R CA 2.164 58.254 56.100 -0.017 0.000 0.917 159 R CB -0.368 29.934 30.300 0.003 0.000 0.832 159 R HN 0.420 nan 8.270 nan 0.000 0.430 160 H N -0.929 118.166 119.070 0.042 0.000 2.548 160 H HA 0.160 4.719 4.556 0.006 0.000 0.265 160 H C 0.249 175.593 175.328 0.026 0.000 0.969 160 H CA 0.666 56.734 56.048 0.033 0.000 1.155 160 H CB 0.394 30.149 29.762 -0.012 0.000 1.394 160 H HN 0.614 nan 8.280 nan 0.000 0.570 161 G N 0.913 109.784 108.800 0.119 0.000 2.547 161 G HA2 0.023 3.987 3.960 0.006 0.000 0.226 161 G HA3 0.023 3.987 3.960 0.006 0.000 0.226 161 G C 0.455 175.399 174.900 0.074 0.000 0.871 161 G CA 0.487 45.634 45.100 0.079 0.000 1.142 161 G HN 0.842 nan 8.290 nan 0.000 0.362 162 G N 2.578 111.415 108.800 0.061 0.000 2.408 162 G HA2 0.470 4.433 3.960 0.006 0.000 0.682 162 G HA3 0.470 4.433 3.960 0.006 0.000 0.682 162 G C -2.884 172.036 174.900 0.033 0.000 1.303 162 G CA 0.009 45.136 45.100 0.044 0.000 0.966 162 G HN 1.247 nan 8.290 nan 0.000 0.560 163 P HA 0.585 nan 4.420 nan 0.000 0.290 163 P C -0.463 176.819 177.300 -0.030 0.000 1.275 163 P CA -0.610 62.499 63.100 0.014 0.000 0.841 163 P CB 1.563 33.283 31.700 0.033 0.000 1.042 164 L N 4.613 125.792 121.223 -0.074 0.000 2.268 164 L HA 0.315 4.658 4.340 0.006 0.000 0.289 164 L C -2.070 174.767 176.870 -0.056 0.000 1.064 164 L CA -2.050 52.687 54.840 -0.171 0.000 0.824 164 L CB 0.665 42.482 42.059 -0.403 0.000 1.202 164 L HN 0.181 nan 8.230 nan 0.000 0.433 165 P HA -0.124 nan 4.420 nan 0.000 0.262 165 P C 0.110 177.494 177.300 0.139 0.000 1.182 165 P CA 0.198 63.387 63.100 0.148 0.000 0.761 165 P CB 0.356 32.236 31.700 0.300 0.000 0.795 166 Y N 4.196 124.522 120.300 0.043 0.000 2.151 166 Y HA -0.291 4.262 4.550 0.006 0.000 0.284 166 Y C 2.367 178.216 175.900 -0.085 0.000 1.166 166 Y CA 2.031 60.099 58.100 -0.053 0.000 1.163 166 Y CB -0.729 37.724 38.460 -0.012 0.000 0.974 166 Y HN 0.545 nan 8.280 nan 0.000 0.511 167 H N -0.548 118.481 119.070 -0.069 0.000 2.568 167 H HA -0.023 4.537 4.556 0.006 0.000 0.281 167 H C 1.477 176.708 175.328 -0.163 0.000 1.028 167 H CA 1.164 57.134 56.048 -0.130 0.000 1.199 167 H CB -0.433 29.305 29.762 -0.038 0.000 1.352 167 H HN 0.384 nan 8.280 nan 0.000 0.605 168 R N 1.014 121.143 120.500 -0.618 0.000 2.223 168 R HA 0.068 4.411 4.340 0.006 0.000 0.198 168 R C 0.745 176.824 176.300 -0.368 0.000 0.984 168 R CA -0.032 55.780 56.100 -0.480 0.000 1.018 168 R CB 0.286 30.393 30.300 -0.322 0.000 0.945 168 R HN 0.384 nan 8.270 nan 0.000 0.479 169 R N 2.584 122.731 120.500 -0.588 0.000 2.538 169 R HA 0.095 4.438 4.340 0.006 0.000 0.282 169 R C -2.547 173.332 176.300 -0.701 0.000 1.009 169 R CA -1.399 54.134 56.100 -0.945 0.000 1.063 169 R CB -0.289 28.851 30.300 -1.934 0.000 0.945 169 R HN -0.209 nan 8.270 nan 0.000 0.414 170 P HA -0.114 nan 4.420 nan 0.000 0.271 170 P C -0.617 176.470 177.300 -0.354 0.000 1.233 170 P CA -0.287 62.554 63.100 -0.430 0.000 0.795 170 P CB 0.374 31.858 31.700 -0.360 0.000 0.936 171 V N 0.018 119.755 119.914 -0.295 0.000 2.389 171 V HA 0.208 4.332 4.120 0.006 0.000 0.264 171 V C 0.433 176.255 176.094 -0.454 0.000 1.049 171 V CA -0.526 61.553 62.300 -0.367 0.000 0.932 171 V CB -0.725 30.826 31.823 -0.452 0.000 1.011 171 V HN 0.264 nan 8.190 nan 0.000 0.475 172 L N 3.783 124.875 121.223 -0.219 0.000 2.483 172 L HA 0.214 4.558 4.340 0.006 0.000 0.275 172 L C 1.486 178.353 176.870 -0.004 0.000 1.220 172 L CA 0.143 54.957 54.840 -0.043 0.000 0.833 172 L CB 0.083 42.203 42.059 0.102 0.000 1.102 172 L HN 0.577 nan 8.230 nan 0.000 0.490 173 F N -0.104 119.976 119.950 0.217 0.000 2.307 173 F HA -0.257 4.273 4.527 0.006 0.000 0.301 173 F C 2.376 178.344 175.800 0.281 0.000 1.076 173 F CA 0.483 58.707 58.000 0.374 0.000 1.383 173 F CB 0.028 39.210 39.000 0.303 0.000 1.055 173 F HN 0.655 nan 8.300 nan 0.000 0.526 174 Q N 1.093 121.108 119.800 0.358 0.000 2.033 174 Q HA -0.190 4.153 4.340 0.006 0.000 0.196 174 Q C 1.943 178.098 176.000 0.258 0.000 0.970 174 Q CA 1.712 57.678 55.803 0.271 0.000 0.828 174 Q CB -0.412 28.457 28.738 0.218 0.000 0.895 174 Q HN 0.428 nan 8.270 nan 0.000 0.440 175 E N -1.110 119.207 120.200 0.195 0.000 2.130 175 E HA -0.247 4.106 4.350 0.006 0.000 0.196 175 E C 1.714 178.457 176.600 0.238 0.000 0.998 175 E CA 1.449 57.984 56.400 0.226 0.000 0.806 175 E CB -0.272 29.466 29.700 0.064 0.000 0.738 175 E HN 0.607 nan 8.360 nan 0.000 0.459 176 Y N 0.213 120.670 120.300 0.261 0.000 2.181 176 Y HA -0.219 4.335 4.550 0.006 0.000 0.288 176 Y C 2.328 178.340 175.900 0.188 0.000 1.146 176 Y CA 0.678 58.915 58.100 0.228 0.000 1.164 176 Y CB -0.023 38.625 38.460 0.313 0.000 0.982 176 Y HN 0.080 nan 8.280 nan 0.000 0.515 177 L N -0.295 121.141 121.223 0.355 0.000 1.976 177 L HA -0.263 4.080 4.340 0.006 0.000 0.209 177 L C 2.052 179.060 176.870 0.231 0.000 1.071 177 L CA 1.269 56.250 54.840 0.236 0.000 0.746 177 L CB -0.634 41.539 42.059 0.190 0.000 0.890 177 L HN 0.202 nan 8.230 nan 0.000 0.432 178 D N 0.230 120.790 120.400 0.267 0.000 2.191 178 D HA -0.232 4.411 4.640 0.006 0.000 0.195 178 D C 2.167 178.710 176.300 0.405 0.000 1.003 178 D CA 1.461 55.635 54.000 0.291 0.000 0.867 178 D CB -0.112 40.908 40.800 0.367 0.000 0.926 178 D HN 0.342 nan 8.370 nan 0.000 0.450 179 I N 0.894 121.707 120.570 0.405 0.000 2.133 179 I HA -0.236 3.938 4.170 0.006 0.000 0.238 179 I C 1.924 178.122 176.117 0.134 0.000 1.074 179 I CA 1.019 62.458 61.300 0.231 0.000 1.342 179 I CB -0.184 37.761 38.000 -0.092 0.000 1.053 179 I HN -0.135 nan 8.210 nan 0.000 0.404 180 D N 0.634 121.132 120.400 0.163 0.000 2.203 180 D HA -0.236 4.407 4.640 0.006 0.000 0.199 180 D C 2.205 178.724 176.300 0.365 0.000 0.997 180 D CA 1.295 55.482 54.000 0.310 0.000 0.863 180 D CB -0.272 40.696 40.800 0.280 0.000 0.928 180 D HN 0.459 nan 8.370 nan 0.000 0.458 181 Q N -0.256 119.674 119.800 0.217 0.000 2.020 181 Q HA -0.125 4.219 4.340 0.006 0.000 0.202 181 Q C 2.292 178.377 176.000 0.142 0.000 0.982 181 Q CA 1.046 56.947 55.803 0.162 0.000 0.838 181 Q CB -0.195 28.607 28.738 0.105 0.000 0.899 181 Q HN 0.310 nan 8.270 nan 0.000 0.423 182 M N 0.481 120.163 119.600 0.136 0.000 2.149 182 M HA -0.207 4.277 4.480 0.006 0.000 0.261 182 M C 1.771 178.083 176.300 0.019 0.000 1.064 182 M CA 1.482 56.840 55.300 0.097 0.000 1.102 182 M CB 0.009 32.724 32.600 0.191 0.000 1.369 182 M HN 0.201 nan 8.290 nan 0.000 0.408 183 I N -0.401 120.153 120.570 -0.027 0.000 2.130 183 I HA -0.265 3.908 4.170 0.006 0.000 0.232 183 I C 2.069 178.031 176.117 -0.258 0.000 1.064 183 I CA 1.434 62.595 61.300 -0.232 0.000 1.338 183 I CB -0.796 36.919 38.000 -0.476 0.000 1.084 183 I HN 0.175 nan 8.210 nan 0.000 0.404 184 F N 1.199 121.117 119.950 -0.054 0.000 2.102 184 F HA -0.174 4.356 4.527 0.006 0.000 0.298 184 F C 1.600 177.358 175.800 -0.071 0.000 1.105 184 F CA 1.386 59.358 58.000 -0.047 0.000 1.239 184 F CB -0.864 38.125 39.000 -0.017 0.000 0.991 184 F HN 0.140 nan 8.300 nan 0.000 0.474 185 N N -0.241 118.545 118.700 0.143 0.000 2.455 185 N HA 0.249 4.993 4.740 0.006 0.000 0.258 185 N C 0.786 176.303 175.510 0.011 0.000 1.158 185 N CA -0.034 53.046 53.050 0.050 0.000 0.893 185 N CB 0.307 38.828 38.487 0.056 0.000 1.173 185 N HN 0.243 nan 8.380 nan 0.000 0.503 186 R N -1.181 119.309 120.500 -0.016 0.000 2.303 186 R HA 0.022 4.366 4.340 0.006 0.000 0.058 186 R C 0.664 176.939 176.300 -0.043 0.000 0.827 186 R CA 0.104 56.192 56.100 -0.020 0.000 2.966 186 R CB 0.271 30.569 30.300 -0.003 0.000 1.253 186 R HN 0.046 nan 8.270 nan 0.000 0.527 187 E N 1.028 121.180 120.200 -0.079 0.000 2.182 187 E HA 0.135 4.489 4.350 0.006 0.000 0.195 187 E C 1.930 178.436 176.600 -0.156 0.000 0.933 187 E CA 0.317 56.650 56.400 -0.111 0.000 0.940 187 E CB 0.061 29.681 29.700 -0.133 0.000 0.945 187 E HN 0.120 nan 8.360 nan 0.000 0.477 188 L N 2.310 123.392 121.223 -0.235 0.000 2.089 188 L HA -0.164 4.180 4.340 0.006 0.000 0.213 188 L C -0.354 176.397 176.870 -0.198 0.000 1.079 188 L CA 1.634 56.288 54.840 -0.311 0.000 0.758 188 L CB -1.729 40.082 42.059 -0.414 0.000 0.891 188 L HN 0.161 nan 8.230 nan 0.000 0.433 189 P HA -0.192 nan 4.420 nan 0.000 0.218 189 P C 1.182 178.564 177.300 0.136 0.000 1.149 189 P CA 1.231 64.379 63.100 0.081 0.000 0.817 189 P CB -0.054 31.563 31.700 -0.138 0.000 0.785 190 Q N -0.432 119.376 119.800 0.012 0.000 2.576 190 Q HA 0.016 4.359 4.340 0.006 0.000 0.218 190 Q C 1.157 177.140 176.000 -0.028 0.000 0.983 190 Q CA 0.980 56.783 55.803 0.001 0.000 0.920 190 Q CB -0.326 28.392 28.738 -0.033 0.000 0.973 190 Q HN 0.232 nan 8.270 nan 0.000 0.528 191 A N -0.569 122.213 122.820 -0.063 0.000 2.585 191 A HA 0.197 4.520 4.320 0.006 0.000 0.281 191 A C 1.151 178.679 177.584 -0.094 0.000 0.945 191 A CA -0.196 51.757 52.037 -0.141 0.000 1.031 191 A CB 0.311 19.135 19.000 -0.294 0.000 1.221 191 A HN 0.128 nan 8.150 nan 0.000 0.496 192 S N 0.121 115.893 115.700 0.121 0.000 2.370 192 S HA -0.113 4.360 4.470 0.006 0.000 0.226 192 S C 2.041 176.795 174.600 0.257 0.000 1.033 192 S CA 2.540 60.937 58.200 0.329 0.000 1.011 192 S CB -0.329 63.084 63.200 0.356 0.000 0.852 192 S HN 0.838 nan 8.310 nan 0.000 0.457 193 G N 1.950 110.854 108.800 0.173 0.000 2.480 193 G HA2 -0.179 3.785 3.960 0.006 0.000 0.216 193 G HA3 -0.179 3.785 3.960 0.006 0.000 0.216 193 G C 1.377 176.310 174.900 0.055 0.000 1.200 193 G CA 1.138 46.375 45.100 0.228 0.000 0.782 193 G HN 0.518 nan 8.290 nan 0.000 0.554 194 L N 0.832 121.822 121.223 -0.388 0.000 2.013 194 L HA -0.060 4.284 4.340 0.006 0.000 0.212 194 L C 2.770 179.253 176.870 -0.645 0.000 1.073 194 L CA 1.603 55.684 54.840 -1.264 0.000 0.753 194 L CB -0.750 40.664 42.059 -1.076 0.000 0.890 194 L HN 0.275 nan 8.230 nan 0.000 0.432 195 L N -1.511 119.501 121.223 -0.351 0.000 2.017 195 L HA -0.247 4.096 4.340 0.006 0.000 0.208 195 L C 2.511 179.409 176.870 0.047 0.000 1.073 195 L CA 1.593 56.326 54.840 -0.178 0.000 0.745 195 L CB -0.928 40.920 42.059 -0.352 0.000 0.894 195 L HN 0.368 nan 8.230 nan 0.000 0.432 196 H N -1.988 117.158 119.070 0.126 0.000 2.518 196 H HA -0.201 4.359 4.556 0.006 0.000 0.294 196 H C 1.969 177.305 175.328 0.013 0.000 1.083 196 H CA 1.329 57.437 56.048 0.099 0.000 1.264 196 H CB 0.183 29.996 29.762 0.084 0.000 1.370 196 H HN 0.339 nan 8.280 nan 0.000 0.560 197 H N -1.293 117.775 119.070 -0.003 0.000 2.296 197 H HA -0.049 4.511 4.556 0.006 0.000 0.328 197 H C 2.626 177.836 175.328 -0.196 0.000 1.162 197 H CA 1.375 57.382 56.048 -0.069 0.000 1.717 197 H CB -0.736 29.027 29.762 0.002 0.000 1.514 197 H HN 0.421 nan 8.280 nan 0.000 0.621 198 C N 0.159 119.413 119.300 -0.077 0.000 2.385 198 C HA -0.160 4.304 4.460 0.006 0.000 0.275 198 C C 2.033 176.968 174.990 -0.091 0.000 1.207 198 C CA 0.791 59.755 59.018 -0.090 0.000 1.760 198 C CB -1.362 26.362 27.740 -0.026 0.000 2.051 198 C HN 0.632 nan 8.230 nan 0.000 0.467 199 C N -1.203 118.091 119.300 -0.010 0.000 2.638 199 C HA 0.554 5.017 4.460 0.006 0.000 0.282 199 C C 0.715 175.936 174.990 0.385 0.000 1.473 199 C CA -0.685 58.502 59.018 0.282 0.000 1.781 199 C CB -2.445 25.482 27.740 0.312 0.000 2.780 199 C HN 0.635 nan 8.230 nan 0.000 0.531 200 F N -1.795 118.171 119.950 0.028 0.000 3.100 200 F HA -0.279 4.252 4.527 0.006 0.000 0.283 200 F C 0.765 176.549 175.800 -0.027 0.000 0.841 200 F CA 0.669 58.657 58.000 -0.021 0.000 1.026 200 F CB -2.585 36.351 39.000 -0.107 0.000 1.209 200 F HN 0.574 nan 8.300 nan 0.000 0.487 201 Y N 3.484 123.780 120.300 -0.007 0.000 2.828 201 Y HA 0.234 4.788 4.550 0.006 0.000 0.364 201 Y C 0.703 176.369 175.900 -0.389 0.000 1.277 201 Y CA -0.454 57.574 58.100 -0.120 0.000 1.713 201 Y CB -0.174 38.219 38.460 -0.113 0.000 1.278 201 Y HN 0.054 nan 8.280 nan 0.000 0.502 202 K N 5.385 125.444 120.400 -0.568 0.000 2.201 202 K HA 0.100 4.423 4.320 0.006 0.000 0.278 202 K C 0.471 176.559 176.600 -0.854 0.000 1.027 202 K CA -0.767 55.136 56.287 -0.639 0.000 0.909 202 K CB 0.743 33.115 32.500 -0.214 0.000 1.062 202 K HN 0.658 nan 8.250 nan 0.000 0.465 203 H N 0.968 119.448 119.070 -0.984 0.000 2.554 203 H HA -0.072 4.488 4.556 0.006 0.000 0.290 203 H C 0.262 175.411 175.328 -0.298 0.000 1.058 203 H CA 0.840 56.487 56.048 -0.669 0.000 1.224 203 H CB 0.029 29.662 29.762 -0.216 0.000 1.359 203 H HN 0.148 nan 8.280 nan 0.000 0.589 204 R N 0.480 120.886 120.500 -0.157 0.000 2.325 204 R HA 0.230 4.574 4.340 0.006 0.000 0.323 204 R C 0.943 177.199 176.300 -0.074 0.000 1.177 204 R CA 0.057 56.108 56.100 -0.082 0.000 1.018 204 R CB -0.906 29.352 30.300 -0.070 0.000 1.070 204 R HN 0.573 nan 8.270 nan 0.000 0.495 205 G N 2.926 111.691 108.800 -0.058 0.000 2.176 205 G HA2 -0.319 3.644 3.960 0.006 0.000 0.232 205 G HA3 -0.319 3.644 3.960 0.006 0.000 0.232 205 G C 0.111 174.964 174.900 -0.078 0.000 0.986 205 G CA 0.103 45.163 45.100 -0.067 0.000 0.643 205 G HN 0.718 nan 8.290 nan 0.000 0.522 206 R N 0.147 120.621 120.500 -0.043 0.000 2.877 206 R HA -0.220 4.123 4.340 0.006 0.000 0.275 206 R C 1.189 177.496 176.300 0.012 0.000 0.924 206 R CA 1.173 57.265 56.100 -0.014 0.000 0.715 206 R CB -1.762 28.341 30.300 -0.329 0.000 1.761 206 R HN 0.853 nan 8.270 nan 0.000 0.498 207 N N 2.950 121.700 118.700 0.083 0.000 2.521 207 N HA -0.039 4.705 4.740 0.006 0.000 0.188 207 N C 0.207 175.798 175.510 0.134 0.000 1.146 207 N CA 0.476 53.558 53.050 0.053 0.000 0.893 207 N CB 0.202 38.689 38.487 0.000 0.000 0.975 207 N HN 0.455 nan 8.380 nan 0.000 0.451 208 L N 0.726 122.092 121.223 0.238 0.000 2.333 208 L HA 0.605 4.948 4.340 0.006 0.000 0.269 208 L C -0.327 176.702 176.870 0.265 0.000 1.010 208 L CA -1.389 53.628 54.840 0.294 0.000 0.818 208 L CB 2.132 44.397 42.059 0.344 0.000 1.306 208 L HN -0.184 nan 8.230 nan 0.000 0.430 209 V N -2.036 117.969 119.914 0.153 0.000 2.823 209 V HA 0.762 4.886 4.120 0.006 0.000 0.312 209 V C 0.010 176.187 176.094 0.138 0.000 1.072 209 V CA -0.618 61.706 62.300 0.040 0.000 0.937 209 V CB 1.530 33.120 31.823 -0.389 0.000 1.013 209 V HN 0.883 nan 8.190 nan 0.000 0.430 210 T N 0.285 114.955 114.554 0.194 0.000 2.936 210 T HA 0.795 5.148 4.350 0.006 0.000 0.282 210 T C -0.430 174.506 174.700 0.393 0.000 1.003 210 T CA -0.711 61.580 62.100 0.317 0.000 1.005 210 T CB 1.856 70.906 68.868 0.303 0.000 1.097 210 T HN 0.991 nan 8.240 nan 0.000 0.532 211 M N 2.222 122.163 119.600 0.569 0.000 2.182 211 M HA 0.305 4.788 4.480 0.006 0.000 0.266 211 M C -0.172 176.226 176.300 0.162 0.000 0.989 211 M CA -0.463 55.088 55.300 0.418 0.000 1.003 211 M CB 1.963 34.837 32.600 0.456 0.000 1.812 211 M HN 1.010 nan 8.290 nan 0.000 0.472 212 T N 2.639 117.159 114.554 -0.055 0.000 2.855 212 T HA 0.375 4.729 4.350 0.006 0.000 0.322 212 T C 0.325 174.981 174.700 -0.073 0.000 1.088 212 T CA 0.796 62.602 62.100 -0.489 0.000 1.104 212 T CB 0.430 69.243 68.868 -0.092 0.000 0.996 212 T HN 0.872 nan 8.240 nan 0.000 0.549 213 T N 0.088 114.592 114.554 -0.083 0.000 2.598 213 T HA 0.876 5.230 4.350 0.006 0.000 0.254 213 T C -0.542 174.246 174.700 0.146 0.000 0.889 213 T CA -0.368 61.776 62.100 0.073 0.000 1.091 213 T CB 1.170 69.997 68.868 -0.070 0.000 1.437 213 T HN 1.425 nan 8.240 nan 0.000 0.542 214 A N 0.616 123.386 122.820 -0.084 0.000 2.571 214 A HA 0.712 5.036 4.320 0.006 0.000 0.296 214 A C -3.231 174.285 177.584 -0.112 0.000 1.005 214 A CA -1.215 50.837 52.037 0.024 0.000 0.682 214 A CB 0.245 19.404 19.000 0.265 0.000 1.292 214 A HN 0.742 nan 8.150 nan 0.000 0.420 215 P HA 0.366 nan 4.420 nan 0.000 0.274 215 P C -0.913 176.494 177.300 0.179 0.000 1.260 215 P CA -0.105 63.012 63.100 0.027 0.000 0.793 215 P CB 0.479 32.056 31.700 -0.206 0.000 1.048 216 R N 0.313 120.953 120.500 0.233 0.000 2.246 216 R HA 0.644 4.987 4.340 0.006 0.000 0.332 216 R C 0.542 177.081 176.300 0.398 0.000 0.974 216 R CA -0.211 56.058 56.100 0.281 0.000 0.837 216 R CB 0.662 31.089 30.300 0.212 0.000 1.145 216 R HN 0.919 nan 8.270 nan 0.000 0.467 217 G N 1.187 110.201 108.800 0.357 0.000 2.434 217 G HA2 -0.175 3.789 3.960 0.006 0.000 0.671 217 G HA3 -0.175 3.789 3.960 0.006 0.000 0.671 217 G C -0.189 174.806 174.900 0.159 0.000 1.280 217 G CA -0.884 44.340 45.100 0.206 0.000 0.975 217 G HN 0.453 nan 8.290 nan 0.000 0.510 218 L N -0.018 121.038 121.223 -0.278 0.000 2.600 218 L HA 0.290 4.633 4.340 0.006 0.000 0.213 218 L C 1.537 177.775 176.870 -1.053 0.000 1.045 218 L CA 0.769 55.416 54.840 -0.323 0.000 0.863 218 L CB 0.048 42.019 42.059 -0.147 0.000 1.189 218 L HN 0.830 nan 8.230 nan 0.000 0.484 219 Q N -0.540 118.563 119.800 -1.163 0.000 2.333 219 Q HA 0.408 4.751 4.340 0.006 0.000 0.266 219 Q C -0.268 174.955 176.000 -1.296 0.000 1.053 219 Q CA -0.586 54.481 55.803 -1.226 0.000 0.890 219 Q CB 1.953 30.373 28.738 -0.529 0.000 1.337 219 Q HN -0.067 nan 8.270 nan 0.000 0.474 220 S N -1.386 113.988 115.700 -0.543 0.000 2.596 220 S HA 0.422 4.896 4.470 0.006 0.000 0.260 220 S C 0.990 175.585 174.600 -0.008 0.000 1.336 220 S CA 0.982 59.247 58.200 0.108 0.000 0.993 220 S CB -0.200 63.176 63.200 0.294 0.000 0.923 220 S HN 1.215 nan 8.310 nan 0.000 0.567 221 G N 1.941 110.822 108.800 0.136 0.000 2.179 221 G HA2 -0.182 3.782 3.960 0.006 0.000 0.260 221 G HA3 -0.182 3.782 3.960 0.006 0.000 0.260 221 G C -0.224 174.580 174.900 -0.161 0.000 0.977 221 G CA 0.430 45.284 45.100 -0.409 0.000 0.641 221 G HN 0.707 nan 8.290 nan 0.000 0.533 222 D N -0.746 119.699 120.400 0.074 0.000 2.478 222 D HA 0.735 5.378 4.640 0.006 0.000 0.269 222 D C 1.074 177.429 176.300 0.092 0.000 1.232 222 D CA -0.223 53.800 54.000 0.037 0.000 1.059 222 D CB 0.418 41.212 40.800 -0.010 0.000 1.104 222 D HN 0.252 nan 8.370 nan 0.000 0.566 223 R N -0.500 119.976 120.500 -0.039 0.000 2.812 223 R HA 0.447 4.790 4.340 0.006 0.000 0.179 223 R C -1.984 174.096 176.300 -0.366 0.000 1.407 223 R CA -0.100 55.869 56.100 -0.218 0.000 1.031 223 R CB -0.147 29.946 30.300 -0.345 0.000 1.491 223 R HN 0.387 nan 8.270 nan 0.000 0.619 224 A N 1.779 124.559 122.820 -0.067 0.000 2.586 224 A HA 0.472 4.795 4.320 0.006 0.000 0.320 224 A C -0.282 177.409 177.584 0.180 0.000 1.281 224 A CA -0.378 51.674 52.037 0.024 0.000 0.775 224 A CB 1.106 20.100 19.000 -0.010 0.000 1.122 224 A HN 0.260 nan 8.150 nan 0.000 0.470 225 T N 0.942 115.734 114.554 0.396 0.000 2.899 225 T HA 0.368 4.722 4.350 0.006 0.000 0.284 225 T C -0.585 174.257 174.700 0.236 0.000 1.004 225 T CA 0.300 62.597 62.100 0.329 0.000 1.043 225 T CB 0.571 69.631 68.868 0.320 0.000 1.013 225 T HN 0.586 nan 8.240 nan 0.000 0.518 226 W N 2.021 123.363 121.300 0.070 0.000 2.329 226 W HA 0.546 5.209 4.660 0.006 0.000 0.312 226 W C -1.214 175.318 176.519 0.022 0.000 1.054 226 W CA -0.779 56.629 57.345 0.105 0.000 1.245 226 W CB 0.673 30.148 29.460 0.024 0.000 1.255 226 W HN 0.464 nan 8.180 nan 0.000 0.436 227 F N 2.813 122.937 119.950 0.289 0.000 2.444 227 F HA 0.596 5.127 4.527 0.006 0.000 0.342 227 F C 0.942 176.857 175.800 0.192 0.000 1.121 227 F CA -1.058 57.074 58.000 0.219 0.000 0.997 227 F CB 1.068 40.137 39.000 0.114 0.000 1.130 227 F HN 0.286 nan 8.300 nan 0.000 0.454 228 G N 2.911 111.879 108.800 0.281 0.000 2.476 228 G HA2 0.620 4.583 3.960 0.006 0.000 0.286 228 G HA3 0.620 4.583 3.960 0.006 0.000 0.286 228 G C -1.317 173.355 174.900 -0.379 0.000 1.177 228 G CA -0.576 44.459 45.100 -0.108 0.000 0.870 228 G HN 0.507 nan 8.290 nan 0.000 0.528 229 L N 0.699 121.551 121.223 -0.619 0.000 2.341 229 L HA 0.517 4.861 4.340 0.006 0.000 0.278 229 L C -1.018 175.476 176.870 -0.626 0.000 1.005 229 L CA -0.638 53.959 54.840 -0.404 0.000 0.818 229 L CB 1.637 43.611 42.059 -0.141 0.000 1.259 229 L HN 0.513 nan 8.230 nan 0.000 0.418 230 Y N 0.607 120.924 120.300 0.028 0.000 2.602 230 Y HA 0.457 5.010 4.550 0.006 0.000 0.342 230 Y C -0.441 175.578 175.900 0.198 0.000 1.029 230 Y CA -1.356 56.791 58.100 0.079 0.000 1.080 230 Y CB 0.851 39.430 38.460 0.199 0.000 1.284 230 Y HN 0.280 nan 8.280 nan 0.000 0.485 231 Y N 0.763 121.266 120.300 0.340 0.000 2.497 231 Y HA -0.036 4.517 4.550 0.006 0.000 0.334 231 Y C 0.687 176.679 175.900 0.154 0.000 1.199 231 Y CA -0.401 57.830 58.100 0.219 0.000 1.425 231 Y CB 0.605 39.194 38.460 0.215 0.000 1.291 231 Y HN 0.572 nan 8.280 nan 0.000 0.562 232 N N 3.990 122.819 118.700 0.216 0.000 2.968 232 N HA 0.085 4.828 4.740 0.006 0.000 0.271 232 N C -0.945 174.620 175.510 0.092 0.000 1.174 232 N CA -0.167 52.919 53.050 0.060 0.000 1.096 232 N CB -0.281 38.194 38.487 -0.021 0.000 1.403 232 N HN 0.331 nan 8.380 nan 0.000 0.522 233 I N 1.241 121.918 120.570 0.179 0.000 2.754 233 I HA 0.031 4.204 4.170 0.006 0.000 0.285 233 I C 0.651 176.831 176.117 0.105 0.000 1.166 233 I CA -0.261 61.142 61.300 0.171 0.000 1.417 233 I CB 0.439 38.597 38.000 0.263 0.000 1.382 233 I HN 0.488 nan 8.210 nan 0.000 0.588 234 S N 2.745 118.494 115.700 0.081 0.000 2.433 234 S HA 0.646 5.120 4.470 0.006 0.000 0.310 234 S C 0.619 175.263 174.600 0.073 0.000 1.097 234 S CA -0.016 58.218 58.200 0.055 0.000 1.103 234 S CB 1.368 64.584 63.200 0.025 0.000 0.992 234 S HN 1.260 nan 8.310 nan 0.000 0.469 235 G N 1.339 110.183 108.800 0.074 0.000 2.141 235 G HA2 0.203 4.167 3.960 0.006 0.000 0.242 235 G HA3 0.203 4.167 3.960 0.006 0.000 0.242 235 G C 0.161 175.134 174.900 0.121 0.000 0.982 235 G CA -0.055 45.096 45.100 0.086 0.000 0.662 235 G HN 1.704 nan 8.290 nan 0.000 0.527 236 A N -1.444 121.450 122.820 0.123 0.000 2.529 236 A HA 0.968 5.292 4.320 0.006 0.000 0.296 236 A C 0.387 177.945 177.584 -0.042 0.000 1.205 236 A CA 0.355 52.479 52.037 0.146 0.000 0.671 236 A CB 0.321 19.444 19.000 0.205 0.000 1.301 236 A HN 1.854 nan 8.150 nan 0.000 0.450 237 G N -0.645 107.928 108.800 -0.378 0.000 2.370 237 G HA2 0.473 4.436 3.960 0.006 0.000 0.272 237 G HA3 0.473 4.436 3.960 0.006 0.000 0.272 237 G C 0.186 174.770 174.900 -0.527 0.000 1.208 237 G CA 0.259 44.788 45.100 -0.951 0.000 0.856 237 G HN 1.267 nan 8.290 nan 0.000 0.500 238 F N 0.464 119.976 119.950 -0.730 0.000 2.727 238 F HA 0.313 4.844 4.527 0.006 0.000 0.302 238 F C 1.259 176.688 175.800 -0.617 0.000 1.097 238 F CA -0.810 56.921 58.000 -0.449 0.000 1.330 238 F CB -0.241 38.498 39.000 -0.435 0.000 1.084 238 F HN 0.325 nan 8.300 nan 0.000 0.578 239 F N 1.158 120.460 119.950 -1.080 0.000 2.407 239 F HA 0.063 4.593 4.527 0.006 0.000 0.299 239 F C 1.727 177.216 175.800 -0.517 0.000 1.097 239 F CA 0.641 58.062 58.000 -0.965 0.000 1.422 239 F CB -0.736 37.721 39.000 -0.905 0.000 1.067 239 F HN 0.009 nan 8.300 nan 0.000 0.539 240 L N 0.202 121.151 121.223 -0.458 0.000 2.627 240 L HA 0.036 4.380 4.340 0.006 0.000 0.233 240 L C -0.029 176.383 176.870 -0.763 0.000 1.144 240 L CA 0.417 54.906 54.840 -0.585 0.000 0.892 240 L CB -0.648 40.962 42.059 -0.748 0.000 1.039 240 L HN 0.258 nan 8.230 nan 0.000 0.442 241 H N -1.021 118.092 119.070 0.071 0.000 2.380 241 H HA 0.286 4.846 4.556 0.006 0.000 0.231 241 H C -0.565 174.910 175.328 0.245 0.000 1.415 241 H CA -0.516 55.593 56.048 0.102 0.000 1.433 241 H CB 0.197 29.991 29.762 0.054 0.000 1.544 241 H HN 0.022 nan 8.280 nan 0.000 0.503 242 H N 2.191 121.438 119.070 0.295 0.000 2.683 242 H HA 0.071 4.631 4.556 0.006 0.000 0.339 242 H C 1.105 176.404 175.328 -0.048 0.000 1.081 242 H CA -0.117 55.996 56.048 0.108 0.000 1.432 242 H CB 1.399 31.277 29.762 0.195 0.000 1.462 242 H HN 0.347 nan 8.280 nan 0.000 0.557 243 V N 1.799 121.769 119.914 0.092 0.000 3.596 243 V HA 0.284 4.408 4.120 0.006 0.000 0.289 243 V C 1.344 177.245 176.094 -0.321 0.000 1.336 243 V CA 0.624 62.851 62.300 -0.122 0.000 1.137 243 V CB -0.093 31.686 31.823 -0.073 0.000 0.966 243 V HN 0.982 nan 8.190 nan 0.000 0.428 244 G N 0.510 109.127 108.800 -0.304 0.000 2.225 244 G HA2 -0.255 3.709 3.960 0.006 0.000 0.254 244 G HA3 -0.255 3.709 3.960 0.006 0.000 0.254 244 G C -0.210 174.458 174.900 -0.387 0.000 0.988 244 G CA 0.317 44.967 45.100 -0.750 0.000 0.625 244 G HN 0.839 nan 8.290 nan 0.000 0.527 245 L N 1.788 123.016 121.223 0.007 0.000 2.265 245 L HA 0.778 5.121 4.340 0.006 0.000 0.289 245 L C -0.068 176.957 176.870 0.258 0.000 1.033 245 L CA -0.913 54.036 54.840 0.182 0.000 0.814 245 L CB 0.888 43.057 42.059 0.184 0.000 1.203 245 L HN 0.281 nan 8.230 nan 0.000 0.423 246 E N 5.253 125.680 120.200 0.378 0.000 2.263 246 E HA 0.685 5.039 4.350 0.006 0.000 0.264 246 E C -1.351 175.542 176.600 0.489 0.000 0.923 246 E CA -0.873 55.814 56.400 0.478 0.000 0.802 246 E CB 2.496 32.530 29.700 0.558 0.000 1.228 246 E HN 0.512 nan 8.360 nan 0.000 0.417 247 L N 1.586 123.046 121.223 0.396 0.000 2.409 247 L HA 0.421 4.765 4.340 0.006 0.000 0.262 247 L C -1.265 175.424 176.870 -0.301 0.000 0.992 247 L CA -1.100 53.764 54.840 0.041 0.000 0.817 247 L CB 1.830 43.880 42.059 -0.015 0.000 1.350 247 L HN 0.307 nan 8.230 nan 0.000 0.411 248 L N 3.132 123.949 121.223 -0.676 0.000 2.371 248 L HA 0.420 4.763 4.340 0.006 0.000 0.262 248 L C -0.672 176.003 176.870 -0.325 0.000 1.054 248 L CA -0.274 54.054 54.840 -0.852 0.000 0.924 248 L CB 1.159 42.434 42.059 -1.306 0.000 1.295 248 L HN 0.249 nan 8.230 nan 0.000 0.441 249 V N 4.161 124.006 119.914 -0.115 0.000 2.405 249 V HA 0.169 4.292 4.120 0.006 0.000 0.264 249 V C 0.669 176.807 176.094 0.074 0.000 1.048 249 V CA -0.420 61.855 62.300 -0.041 0.000 0.966 249 V CB 0.670 32.413 31.823 -0.133 0.000 1.015 249 V HN 0.751 nan 8.190 nan 0.000 0.477 250 N N 3.961 122.663 118.700 0.003 0.000 3.124 250 N HA 0.057 4.801 4.740 0.006 0.000 0.284 250 N C 0.783 176.197 175.510 -0.160 0.000 1.209 250 N CA -0.481 52.547 53.050 -0.038 0.000 1.149 250 N CB -0.265 38.208 38.487 -0.024 0.000 1.434 250 N HN 0.815 nan 8.380 nan 0.000 0.529 251 H N -0.390 118.364 119.070 -0.527 0.000 2.930 251 H HA 0.185 4.744 4.556 0.006 0.000 0.307 251 H C 1.487 176.415 175.328 -0.667 0.000 1.247 251 H CA -0.385 54.852 56.048 -1.353 0.000 1.181 251 H CB 0.408 29.218 29.762 -1.586 0.000 1.390 251 H HN 0.337 nan 8.280 nan 0.000 0.549 252 K N 1.088 121.254 120.400 -0.390 0.000 2.025 252 K HA 0.018 4.342 4.320 0.006 0.000 0.207 252 K C 1.151 177.801 176.600 0.083 0.000 1.049 252 K CA 0.655 56.840 56.287 -0.170 0.000 0.933 252 K CB -0.082 32.365 32.500 -0.088 0.000 0.714 252 K HN 0.443 nan 8.250 nan 0.000 0.438 253 A N 0.920 123.902 122.820 0.270 0.000 2.475 253 A HA 0.030 4.353 4.320 0.006 0.000 0.239 253 A C 1.014 178.859 177.584 0.434 0.000 1.087 253 A CA 0.055 52.294 52.037 0.337 0.000 0.779 253 A CB 0.090 19.283 19.000 0.320 0.000 1.036 253 A HN 0.422 nan 8.150 nan 0.000 0.506 254 L N -0.820 120.556 121.223 0.254 0.000 2.509 254 L HA 0.070 4.413 4.340 0.006 0.000 0.222 254 L C 0.310 177.251 176.870 0.118 0.000 1.123 254 L CA 0.668 55.639 54.840 0.219 0.000 0.856 254 L CB -0.087 42.053 42.059 0.135 0.000 0.985 254 L HN 0.821 nan 8.230 nan 0.000 0.456 255 D N -0.573 119.838 120.400 0.017 0.000 2.461 255 D HA 0.210 4.854 4.640 0.006 0.000 0.240 255 D C -1.757 174.240 176.300 -0.505 0.000 1.094 255 D CA -2.010 51.894 54.000 -0.160 0.000 0.868 255 D CB 1.642 42.384 40.800 -0.098 0.000 1.062 255 D HN -0.238 nan 8.370 nan 0.000 0.530 256 P HA -0.276 nan 4.420 nan 0.000 0.221 256 P C 0.795 177.494 177.300 -1.003 0.000 1.151 256 P CA 1.473 63.549 63.100 -1.707 0.000 0.843 256 P CB 0.263 31.342 31.700 -1.034 0.000 0.778 257 A N -0.866 121.654 122.820 -0.500 0.000 1.930 257 A HA -0.128 4.196 4.320 0.006 0.000 0.215 257 A C 2.126 179.623 177.584 -0.145 0.000 1.176 257 A CA 0.926 52.820 52.037 -0.240 0.000 0.632 257 A CB -0.625 18.286 19.000 -0.148 0.000 0.819 257 A HN -0.002 nan 8.150 nan 0.000 0.445 258 R N -0.720 119.686 120.500 -0.157 0.000 2.200 258 R HA -0.124 4.220 4.340 0.006 0.000 0.234 258 R C -0.045 176.360 176.300 0.175 0.000 1.127 258 R CA 0.217 56.321 56.100 0.006 0.000 0.989 258 R CB -0.602 29.719 30.300 0.035 0.000 0.869 258 R HN 0.619 nan 8.270 nan 0.000 0.459 259 W N 1.545 122.864 121.300 0.032 0.000 2.123 259 W HA 0.118 4.781 4.660 0.006 0.000 0.351 259 W C 1.146 177.675 176.519 0.016 0.000 1.292 259 W CA -0.206 57.162 57.345 0.038 0.000 1.263 259 W CB -0.210 29.287 29.460 0.062 0.000 1.165 259 W HN -0.013 nan 8.180 nan 0.000 0.590 260 T N -1.001 113.703 114.554 0.250 0.000 2.769 260 T HA 0.571 4.924 4.350 0.006 0.000 0.306 260 T C -1.105 173.622 174.700 0.045 0.000 1.400 260 T CA -1.069 61.101 62.100 0.117 0.000 1.007 260 T CB 1.448 70.363 68.868 0.078 0.000 1.392 260 T HN 0.119 nan 8.240 nan 0.000 0.500 261 I N 2.668 123.241 120.570 0.005 0.000 2.291 261 I HA 0.289 4.462 4.170 0.006 0.000 0.290 261 I C 1.424 177.514 176.117 -0.045 0.000 1.050 261 I CA -0.336 60.934 61.300 -0.051 0.000 1.245 261 I CB 0.558 38.522 38.000 -0.060 0.000 1.405 261 I HN 0.839 nan 8.210 nan 0.000 0.478 262 Q N 3.387 123.142 119.800 -0.076 0.000 2.311 262 Q HA -0.020 4.324 4.340 0.006 0.000 0.203 262 Q C 0.234 176.225 176.000 -0.015 0.000 0.954 262 Q CA 1.001 56.779 55.803 -0.041 0.000 0.885 262 Q CB 0.384 29.094 28.738 -0.048 0.000 0.963 262 Q HN 0.445 nan 8.270 nan 0.000 0.471 263 K N -0.696 119.661 120.400 -0.073 0.000 2.610 263 K HA 0.411 4.735 4.320 0.006 0.000 0.278 263 K C -2.139 174.449 176.600 -0.019 0.000 0.964 263 K CA -0.442 55.871 56.287 0.043 0.000 0.859 263 K CB 2.492 35.106 32.500 0.189 0.000 1.434 263 K HN -0.102 nan 8.250 nan 0.000 0.410 264 V N 3.664 123.684 119.914 0.177 0.000 2.823 264 V HA 0.793 4.917 4.120 0.006 0.000 0.312 264 V C -1.785 174.561 176.094 0.419 0.000 1.072 264 V CA -0.617 61.816 62.300 0.221 0.000 0.937 264 V CB 1.553 33.462 31.823 0.145 0.000 1.013 264 V HN 0.688 nan 8.190 nan 0.000 0.430 265 F N 6.721 126.814 119.950 0.238 0.000 2.536 265 F HA 0.700 5.230 4.527 0.006 0.000 0.322 265 F C -1.636 174.252 175.800 0.147 0.000 1.144 265 F CA -0.717 57.339 58.000 0.093 0.000 0.924 265 F CB 1.640 40.589 39.000 -0.085 0.000 1.181 265 F HN 0.623 nan 8.300 nan 0.000 0.438 266 Y N 5.190 125.260 120.300 -0.383 0.000 2.406 266 Y HA 0.299 4.853 4.550 0.006 0.000 0.340 266 Y C 0.155 175.698 175.900 -0.594 0.000 0.975 266 Y CA -0.986 56.871 58.100 -0.405 0.000 1.056 266 Y CB 1.498 39.767 38.460 -0.318 0.000 1.210 266 Y HN 0.738 nan 8.280 nan 0.000 0.448 267 Q N 4.665 123.619 119.800 -1.409 0.000 2.368 267 Q HA -0.300 4.043 4.340 0.006 0.000 0.352 267 Q C 1.003 176.417 176.000 -0.976 0.000 1.301 267 Q CA 1.589 56.678 55.803 -1.189 0.000 1.059 267 Q CB -1.216 26.728 28.738 -1.323 0.000 1.281 267 Q HN 1.240 nan 8.270 nan 0.000 0.406 268 G N -1.103 106.859 108.800 -1.397 0.000 2.561 268 G HA2 -0.237 3.726 3.960 0.006 0.000 0.203 268 G HA3 -0.237 3.726 3.960 0.006 0.000 0.203 268 G C -0.002 174.512 174.900 -0.643 0.000 1.101 268 G CA -0.144 44.236 45.100 -1.200 0.000 0.711 268 G HN 0.300 nan 8.290 nan 0.000 0.511 269 R N -0.108 120.107 120.500 -0.474 0.000 2.573 269 R HA 0.737 5.081 4.340 0.006 0.000 0.272 269 R C -0.841 175.355 176.300 -0.174 0.000 1.009 269 R CA -0.466 55.505 56.100 -0.216 0.000 1.059 269 R CB 0.406 30.521 30.300 -0.309 0.000 1.112 269 R HN 0.265 nan 8.270 nan 0.000 0.517 270 Y N 0.771 120.960 120.300 -0.186 0.000 2.334 270 Y HA 0.385 4.939 4.550 0.006 0.000 0.328 270 Y C -0.460 175.262 175.900 -0.297 0.000 1.130 270 Y CA -0.147 57.991 58.100 0.064 0.000 1.163 270 Y CB 0.915 39.477 38.460 0.170 0.000 1.207 270 Y HN 0.417 nan 8.280 nan 0.000 0.471 271 Y N -0.077 120.380 120.300 0.261 0.000 2.634 271 Y HA 0.284 4.837 4.550 0.006 0.000 0.340 271 Y C 0.638 176.627 175.900 0.148 0.000 1.058 271 Y CA -1.044 57.150 58.100 0.157 0.000 1.081 271 Y CB 1.377 39.888 38.460 0.084 0.000 1.295 271 Y HN 0.508 nan 8.280 nan 0.000 0.487 272 D N -0.283 120.272 120.400 0.258 0.000 2.301 272 D HA 0.057 4.700 4.640 0.006 0.000 0.206 272 D C -0.035 176.335 176.300 0.116 0.000 0.979 272 D CA 0.913 55.009 54.000 0.160 0.000 0.874 272 D CB 0.521 41.390 40.800 0.115 0.000 0.968 272 D HN 0.416 nan 8.370 nan 0.000 0.510 273 S N -1.323 114.445 115.700 0.113 0.000 2.596 273 S HA 0.323 4.796 4.470 0.006 0.000 0.270 273 S C 0.636 175.238 174.600 0.004 0.000 1.155 273 S CA -0.762 57.466 58.200 0.046 0.000 0.827 273 S CB 1.108 64.327 63.200 0.031 0.000 1.130 273 S HN -0.072 nan 8.310 nan 0.000 0.467 274 L N 0.914 122.110 121.223 -0.046 0.000 2.083 274 L HA -0.038 4.305 4.340 0.006 0.000 0.209 274 L C 3.002 179.811 176.870 -0.103 0.000 1.083 274 L CA 1.786 56.559 54.840 -0.111 0.000 0.752 274 L CB -0.947 41.038 42.059 -0.123 0.000 0.899 274 L HN 0.971 nan 8.230 nan 0.000 0.433 275 A N -0.319 122.471 122.820 -0.049 0.000 1.883 275 A HA -0.313 4.010 4.320 0.006 0.000 0.217 275 A C 2.234 179.806 177.584 -0.019 0.000 1.186 275 A CA 1.973 53.994 52.037 -0.027 0.000 0.624 275 A CB -0.668 18.330 19.000 -0.004 0.000 0.822 275 A HN 0.507 nan 8.150 nan 0.000 0.444 276 Q N -1.031 118.775 119.800 0.009 0.000 2.181 276 Q HA -0.189 4.154 4.340 0.006 0.000 0.205 276 Q C 1.893 177.905 176.000 0.019 0.000 0.980 276 Q CA 1.693 57.529 55.803 0.056 0.000 0.862 276 Q CB -0.201 28.614 28.738 0.129 0.000 0.905 276 Q HN 0.535 nan 8.270 nan 0.000 0.429 277 L N 0.917 122.054 121.223 -0.143 0.000 2.034 277 L HA -0.090 4.253 4.340 0.006 0.000 0.203 277 L C 2.182 178.914 176.870 -0.228 0.000 1.074 277 L CA 2.348 56.924 54.840 -0.440 0.000 0.748 277 L CB -1.022 40.617 42.059 -0.700 0.000 0.905 277 L HN 0.213 nan 8.230 nan 0.000 0.439 278 E N 0.177 120.278 120.200 -0.165 0.000 2.097 278 E HA -0.223 4.130 4.350 0.006 0.000 0.196 278 E C 2.041 178.674 176.600 0.055 0.000 1.000 278 E CA 1.795 58.177 56.400 -0.030 0.000 0.804 278 E CB -0.459 29.219 29.700 -0.035 0.000 0.740 278 E HN 0.558 nan 8.360 nan 0.000 0.454 279 A N 0.176 123.002 122.820 0.010 0.000 1.858 279 A HA -0.248 4.076 4.320 0.006 0.000 0.216 279 A C 2.258 179.850 177.584 0.013 0.000 1.190 279 A CA 1.879 53.925 52.037 0.013 0.000 0.617 279 A CB -0.730 18.280 19.000 0.018 0.000 0.827 279 A HN 0.393 nan 8.150 nan 0.000 0.443 280 Q N -2.095 117.727 119.800 0.037 0.000 2.224 280 Q HA -0.099 4.244 4.340 0.006 0.000 0.203 280 Q C 1.748 177.773 176.000 0.042 0.000 0.970 280 Q CA 1.380 57.217 55.803 0.057 0.000 0.865 280 Q CB -0.203 28.621 28.738 0.143 0.000 0.922 280 Q HN 0.760 nan 8.270 nan 0.000 0.445 281 F N 1.431 121.320 119.950 -0.102 0.000 2.113 281 F HA -0.127 4.403 4.527 0.006 0.000 0.297 281 F C 1.626 177.363 175.800 -0.106 0.000 1.103 281 F CA 1.589 59.515 58.000 -0.123 0.000 1.248 281 F CB -0.072 38.814 39.000 -0.190 0.000 0.999 281 F HN 0.018 nan 8.300 nan 0.000 0.475 282 E N 0.462 120.451 120.200 -0.352 0.000 2.150 282 E HA -0.131 4.222 4.350 0.006 0.000 0.193 282 E C 2.356 178.777 176.600 -0.298 0.000 0.985 282 E CA 0.869 57.014 56.400 -0.424 0.000 0.814 282 E CB -0.421 29.185 29.700 -0.158 0.000 0.752 282 E HN 0.517 nan 8.360 nan 0.000 0.466 283 A N 0.672 123.386 122.820 -0.177 0.000 1.898 283 A HA 0.040 4.364 4.320 0.006 0.000 0.216 283 A C 2.021 179.526 177.584 -0.132 0.000 1.181 283 A CA 1.678 53.647 52.037 -0.113 0.000 0.620 283 A CB -0.325 18.646 19.000 -0.049 0.000 0.819 283 A HN 0.397 nan 8.150 nan 0.000 0.442 284 G N -2.973 105.732 108.800 -0.159 0.000 2.198 284 G HA2 -0.060 3.903 3.960 0.006 0.000 0.156 284 G HA3 -0.060 3.903 3.960 0.006 0.000 0.156 284 G C 0.144 175.015 174.900 -0.047 0.000 1.012 284 G CA 0.152 45.170 45.100 -0.137 0.000 0.692 284 G HN 0.685 nan 8.290 nan 0.000 0.492 285 L N 1.669 122.890 121.223 -0.002 0.000 3.073 285 L HA 0.693 5.036 4.340 0.006 0.000 0.242 285 L C 0.008 176.945 176.870 0.112 0.000 1.317 285 L CA -0.292 54.579 54.840 0.053 0.000 1.081 285 L CB 1.071 43.167 42.059 0.061 0.000 1.456 285 L HN 0.078 nan 8.230 nan 0.000 0.525 286 V N 0.536 120.524 119.914 0.123 0.000 2.658 286 V HA 0.216 4.339 4.120 0.006 0.000 0.259 286 V C 0.018 176.230 176.094 0.196 0.000 0.933 286 V CA -0.810 61.605 62.300 0.192 0.000 0.871 286 V CB 1.143 33.103 31.823 0.227 0.000 1.062 286 V HN 0.294 nan 8.190 nan 0.000 0.479 287 N N 3.329 122.114 118.700 0.141 0.000 2.434 287 N HA 0.093 4.837 4.740 0.006 0.000 0.273 287 N C -0.134 175.456 175.510 0.134 0.000 1.210 287 N CA 0.185 53.311 53.050 0.126 0.000 0.992 287 N CB 1.142 39.685 38.487 0.093 0.000 1.355 287 N HN 0.411 nan 8.380 nan 0.000 0.495 288 V N 3.415 123.435 119.914 0.176 0.000 2.715 288 V HA 0.076 4.199 4.120 0.006 0.000 0.299 288 V C 0.484 176.632 176.094 0.089 0.000 1.054 288 V CA -0.382 62.005 62.300 0.146 0.000 1.077 288 V CB 1.507 33.441 31.823 0.185 0.000 0.972 288 V HN 0.236 nan 8.190 nan 0.000 0.484 289 V N 6.438 126.357 119.914 0.008 0.000 2.347 289 V HA 0.338 4.462 4.120 0.006 0.000 0.280 289 V C 0.017 176.075 176.094 -0.060 0.000 1.021 289 V CA -0.539 61.758 62.300 -0.006 0.000 0.847 289 V CB 1.278 33.132 31.823 0.050 0.000 0.990 289 V HN 0.611 nan 8.190 nan 0.000 0.444 290 L N 6.160 127.377 121.223 -0.010 0.000 2.369 290 L HA 0.328 4.671 4.340 0.006 0.000 0.279 290 L C -0.031 176.910 176.870 0.119 0.000 1.108 290 L CA -0.189 54.668 54.840 0.030 0.000 0.852 290 L CB 0.159 42.218 42.059 -0.000 0.000 1.169 290 L HN 0.450 nan 8.230 nan 0.000 0.452 291 I N 4.108 124.819 120.570 0.235 0.000 2.379 291 I HA 0.270 4.444 4.170 0.006 0.000 0.290 291 I C -2.104 174.426 176.117 0.689 0.000 1.063 291 I CA -2.389 59.157 61.300 0.410 0.000 1.351 291 I CB 0.119 38.290 38.000 0.285 0.000 1.410 291 I HN 0.260 nan 8.210 nan 0.000 0.505 292 P HA 0.024 nan 4.420 nan 0.000 0.265 292 P C 0.422 177.963 177.300 0.402 0.000 1.193 292 P CA 0.137 63.494 63.100 0.428 0.000 0.765 292 P CB 0.594 32.470 31.700 0.293 0.000 0.823 293 D N 0.939 121.240 120.400 -0.165 0.000 2.350 293 D HA 0.009 4.653 4.640 0.006 0.000 0.213 293 D C 0.277 176.278 176.300 -0.499 0.000 1.031 293 D CA 0.708 54.446 54.000 -0.437 0.000 0.861 293 D CB -0.018 40.003 40.800 -1.298 0.000 0.926 293 D HN 0.165 nan 8.370 nan 0.000 0.520 294 N N -0.824 117.409 118.700 -0.778 0.000 3.157 294 N HA 0.633 5.376 4.740 0.006 0.000 0.291 294 N C -0.449 174.106 175.510 -1.591 0.000 1.515 294 N CA 0.410 52.832 53.050 -1.046 0.000 0.807 294 N CB 2.050 40.203 38.487 -0.556 0.000 1.672 294 N HN 0.230 nan 8.380 nan 0.000 0.592 295 G N -1.036 106.963 108.800 -1.335 0.000 2.369 295 G HA2 0.303 4.266 3.960 0.006 0.000 0.293 295 G HA3 0.303 4.266 3.960 0.006 0.000 0.293 295 G C -1.303 173.209 174.900 -0.647 0.000 1.301 295 G CA 0.022 44.481 45.100 -1.069 0.000 0.913 295 G HN 0.817 nan 8.290 nan 0.000 0.540 296 T N -2.696 111.805 114.554 -0.087 0.000 2.888 296 T HA 1.060 5.413 4.350 0.006 0.000 0.288 296 T C 0.674 175.609 174.700 0.392 0.000 1.063 296 T CA 0.394 62.613 62.100 0.198 0.000 1.010 296 T CB 1.694 70.613 68.868 0.085 0.000 1.214 296 T HN 2.902 nan 8.240 nan 0.000 0.533 297 G N -0.521 108.449 108.800 0.283 0.000 2.422 297 G HA2 0.304 4.267 3.960 0.006 0.000 0.607 297 G HA3 0.304 4.267 3.960 0.006 0.000 0.607 297 G C 0.622 175.642 174.900 0.200 0.000 1.270 297 G CA -0.040 45.191 45.100 0.219 0.000 0.992 297 G HN 1.530 nan 8.290 nan 0.000 0.499 298 G N -0.375 108.498 108.800 0.122 0.000 2.484 298 G HA2 0.200 4.163 3.960 0.006 0.000 0.218 298 G HA3 0.200 4.163 3.960 0.006 0.000 0.218 298 G C 1.997 176.937 174.900 0.066 0.000 1.130 298 G CA 2.068 47.217 45.100 0.081 0.000 0.784 298 G HN 1.860 nan 8.290 nan 0.000 0.543 299 S N -1.053 114.652 115.700 0.008 0.000 2.481 299 S HA -0.023 4.451 4.470 0.006 0.000 0.231 299 S C 1.690 176.053 174.600 -0.394 0.000 0.996 299 S CA 0.587 58.661 58.200 -0.211 0.000 0.942 299 S CB -0.293 62.727 63.200 -0.300 0.000 0.768 299 S HN 0.660 nan 8.310 nan 0.000 0.520 300 W N 0.864 122.307 121.300 0.239 0.000 3.178 300 W HA 0.481 5.145 4.660 0.006 0.000 0.241 300 W C 1.363 177.985 176.519 0.172 0.000 1.122 300 W CA -0.091 57.382 57.345 0.213 0.000 1.595 300 W CB -0.245 29.285 29.460 0.116 0.000 0.918 300 W HN 0.147 nan 8.180 nan 0.000 0.700 301 S N 0.384 116.281 115.700 0.329 0.000 2.722 301 S HA 0.458 4.932 4.470 0.006 0.000 0.292 301 S C -0.026 174.683 174.600 0.182 0.000 1.135 301 S CA -0.345 57.990 58.200 0.225 0.000 1.003 301 S CB 1.398 64.702 63.200 0.174 0.000 1.067 301 S HN 0.071 nan 8.310 nan 0.000 0.546 302 L N 1.422 122.732 121.223 0.145 0.000 3.128 302 L HA 0.526 4.870 4.340 0.006 0.000 0.277 302 L C 0.198 177.105 176.870 0.063 0.000 1.171 302 L CA 0.368 55.272 54.840 0.107 0.000 1.008 302 L CB -0.107 42.041 42.059 0.148 0.000 1.442 302 L HN 0.672 nan 8.230 nan 0.000 0.584 303 K N 0.915 121.357 120.400 0.071 0.000 2.276 303 K HA 0.284 4.607 4.320 0.006 0.000 0.285 303 K C -0.014 176.612 176.600 0.044 0.000 1.062 303 K CA -0.123 56.194 56.287 0.050 0.000 0.918 303 K CB 1.041 33.572 32.500 0.052 0.000 1.055 303 K HN 0.091 nan 8.250 nan 0.000 0.477 304 S N 4.480 120.197 115.700 0.029 0.000 2.549 304 S HA 0.089 4.563 4.470 0.006 0.000 0.286 304 S C -1.692 172.926 174.600 0.029 0.000 1.314 304 S CA -1.165 57.050 58.200 0.025 0.000 1.062 304 S CB 0.653 63.862 63.200 0.014 0.000 0.865 304 S HN 0.577 nan 8.310 nan 0.000 0.498 305 P HA 0.034 nan 4.420 nan 0.000 0.217 305 P C -0.090 177.223 177.300 0.022 0.000 1.154 305 P CA 0.269 63.387 63.100 0.030 0.000 0.841 305 P CB -0.252 31.469 31.700 0.034 0.000 0.790 306 V N -0.391 119.534 119.914 0.019 0.000 2.493 306 V HA 0.189 4.313 4.120 0.006 0.000 0.292 306 V C -1.874 174.228 176.094 0.013 0.000 1.016 306 V CA -1.890 60.418 62.300 0.015 0.000 1.097 306 V CB -1.050 30.780 31.823 0.012 0.000 0.947 306 V HN 0.055 nan 8.190 nan 0.000 0.479 307 P HA 0.301 nan 4.420 nan 0.000 0.270 307 P C -2.505 174.801 177.300 0.009 0.000 1.227 307 P CA -0.955 62.151 63.100 0.011 0.000 0.788 307 P CB -0.558 31.147 31.700 0.009 0.000 0.926 308 P HA 0.255 nan 4.420 nan 0.000 0.268 308 P C 0.313 177.617 177.300 0.006 0.000 1.204 308 P CA 0.340 63.445 63.100 0.009 0.000 0.768 308 P CB 0.240 31.946 31.700 0.010 0.000 0.842 309 G N 2.518 111.321 108.800 0.005 0.000 3.016 309 G HA2 0.571 4.535 3.960 0.006 0.000 0.270 309 G HA3 0.571 4.535 3.960 0.006 0.000 0.270 309 G C -2.539 172.362 174.900 0.002 0.000 1.352 309 G CA -1.419 43.683 45.100 0.003 0.000 1.060 309 G HN 0.310 nan 8.290 nan 0.000 0.538 310 P HA 0.255 nan 4.420 nan 0.000 0.259 310 P C 0.195 177.495 177.300 0.000 0.000 1.155 310 P CA 0.302 63.402 63.100 -0.001 0.000 0.759 310 P CB 0.271 31.971 31.700 -0.000 0.000 0.753 311 A N 5.741 128.560 122.820 -0.003 0.000 2.483 311 A HA 0.337 4.661 4.320 0.006 0.000 0.238 311 A C -1.445 176.143 177.584 0.006 0.000 1.070 311 A CA -0.780 51.257 52.037 -0.001 0.000 0.770 311 A CB -0.877 18.114 19.000 -0.015 0.000 1.008 311 A HN 0.494 nan 8.150 nan 0.000 0.497 312 P HA 0.318 nan 4.420 nan 0.000 0.274 312 P C -2.373 174.945 177.300 0.030 0.000 1.231 312 P CA -0.954 62.159 63.100 0.022 0.000 0.790 312 P CB -0.054 31.663 31.700 0.029 0.000 0.951 313 P HA 0.184 nan 4.420 nan 0.000 0.272 313 P C -0.564 176.776 177.300 0.066 0.000 1.248 313 P CA 0.095 63.223 63.100 0.048 0.000 0.799 313 P CB 0.518 32.244 31.700 0.044 0.000 0.997 314 L N -3.670 117.609 121.223 0.095 0.000 2.789 314 L HA 0.407 4.750 4.340 0.006 0.000 0.258 314 L C -0.651 176.332 176.870 0.189 0.000 0.966 314 L CA -1.154 53.762 54.840 0.128 0.000 0.916 314 L CB 1.499 43.631 42.059 0.122 0.000 1.475 314 L HN 0.305 nan 8.230 nan 0.000 0.418 315 Q N 1.300 121.207 119.800 0.177 0.000 2.179 315 Q HA 0.797 5.141 4.340 0.006 0.000 0.174 315 Q C -1.399 174.817 176.000 0.361 0.000 1.044 315 Q CA -0.249 55.644 55.803 0.150 0.000 1.105 315 Q CB 1.373 30.122 28.738 0.017 0.000 1.213 315 Q HN 0.640 nan 8.270 nan 0.000 0.574 316 F N -2.900 117.109 119.950 0.098 0.000 2.742 316 F HA 0.231 4.761 4.527 0.004 0.000 0.318 316 F C -2.261 173.674 175.800 0.226 0.000 1.092 316 F CA -1.330 56.807 58.000 0.228 0.000 0.976 316 F CB -0.095 38.998 39.000 0.156 0.000 1.244 316 F HN 0.277 nan 8.300 nan 0.000 0.470 317 Y N 3.640 124.047 120.300 0.179 0.000 2.504 317 Y HA 0.432 4.985 4.550 0.005 0.000 0.351 317 Y C -1.792 174.220 175.900 0.186 0.000 0.988 317 Y CA -2.422 55.725 58.100 0.078 0.000 1.239 317 Y CB 0.359 38.895 38.460 0.127 0.000 1.128 317 Y HN 0.420 nan 8.280 nan 0.000 0.525 318 P HA -0.190 nan 4.420 nan 0.000 0.217 318 P C 0.070 177.515 177.300 0.242 0.000 1.151 318 P CA 1.776 65.063 63.100 0.312 0.000 0.849 318 P CB 0.275 32.047 31.700 0.119 0.000 0.787 319 Q N -1.070 118.845 119.800 0.190 0.000 2.158 319 Q HA 0.422 4.765 4.340 0.006 0.000 0.306 319 Q C 0.381 176.463 176.000 0.137 0.000 0.878 319 Q CA -0.211 55.676 55.803 0.141 0.000 1.136 319 Q CB 0.753 29.555 28.738 0.106 0.000 1.253 319 Q HN 0.117 nan 8.270 nan 0.000 0.441 320 G N 2.658 111.560 108.800 0.170 0.000 2.860 320 G HA2 -0.201 3.763 3.960 0.006 0.000 0.553 320 G HA3 -0.201 3.763 3.960 0.006 0.000 0.553 320 G C -2.815 172.149 174.900 0.106 0.000 1.439 320 G CA -1.029 44.118 45.100 0.079 0.000 0.879 320 G HN 0.170 nan 8.290 nan 0.000 0.545 321 P HA 0.399 nan 4.420 nan 0.000 0.279 321 P C -0.028 177.285 177.300 0.021 0.000 1.239 321 P CA -0.287 62.703 63.100 -0.183 0.000 0.789 321 P CB 0.988 32.169 31.700 -0.866 0.000 0.933 322 R N 2.291 122.981 120.500 0.317 0.000 2.555 322 R HA 0.285 4.629 4.340 0.006 0.000 0.272 322 R C -0.064 176.422 176.300 0.311 0.000 1.089 322 R CA 0.098 56.351 56.100 0.256 0.000 1.126 322 R CB -0.934 29.529 30.300 0.272 0.000 1.250 322 R HN 0.537 nan 8.270 nan 0.000 0.551 323 F N -2.588 117.411 119.950 0.081 0.000 2.628 323 F HA 0.637 5.168 4.527 0.007 0.000 0.309 323 F C -0.601 175.207 175.800 0.013 0.000 1.108 323 F CA -1.482 56.545 58.000 0.046 0.000 0.971 323 F CB 1.192 40.230 39.000 0.065 0.000 1.279 323 F HN -0.113 nan 8.300 nan 0.000 0.441 324 S N 1.515 117.231 115.700 0.027 0.000 2.578 324 S HA 0.898 5.371 4.470 0.006 0.000 0.301 324 S C -1.361 173.271 174.600 0.053 0.000 1.091 324 S CA -0.756 57.412 58.200 -0.053 0.000 1.032 324 S CB 1.872 65.049 63.200 -0.038 0.000 1.064 324 S HN 0.840 nan 8.310 nan 0.000 0.508 325 V N 2.315 122.251 119.914 0.036 0.000 2.447 325 V HA 0.453 4.576 4.120 0.006 0.000 0.292 325 V C -0.895 175.236 176.094 0.062 0.000 1.021 325 V CA -0.471 61.889 62.300 0.101 0.000 0.850 325 V CB 1.014 32.949 31.823 0.186 0.000 1.005 325 V HN 0.967 nan 8.190 nan 0.000 0.426 326 Q N 3.349 123.166 119.800 0.029 0.000 2.394 326 Q HA 0.633 4.976 4.340 0.006 0.000 0.261 326 Q C 0.774 176.763 176.000 -0.018 0.000 1.023 326 Q CA 0.077 55.887 55.803 0.011 0.000 0.720 326 Q CB 2.208 30.943 28.738 -0.005 0.000 1.241 326 Q HN 1.063 nan 8.270 nan 0.000 0.483 327 G N 1.590 110.390 108.800 0.000 0.000 2.536 327 G HA2 -0.328 3.635 3.960 0.006 0.000 0.277 327 G HA3 -0.328 3.635 3.960 0.006 0.000 0.277 327 G C 0.523 175.298 174.900 -0.208 0.000 1.155 327 G CA 0.240 45.308 45.100 -0.053 0.000 0.960 327 G HN 0.484 nan 8.290 nan 0.000 0.544 328 S N 1.291 116.753 115.700 -0.397 0.000 2.554 328 S HA 0.324 4.798 4.470 0.006 0.000 0.226 328 S C 0.869 174.953 174.600 -0.860 0.000 0.980 328 S CA 0.062 57.654 58.200 -1.013 0.000 0.939 328 S CB 0.184 62.965 63.200 -0.697 0.000 0.832 328 S HN 0.527 nan 8.310 nan 0.000 0.486 329 R N 1.278 121.552 120.500 -0.376 0.000 2.393 329 R HA 0.601 4.945 4.340 0.006 0.000 0.310 329 R C -1.071 175.102 176.300 -0.212 0.000 0.968 329 R CA -0.304 55.640 56.100 -0.261 0.000 0.867 329 R CB 1.695 31.907 30.300 -0.147 0.000 1.124 329 R HN 0.031 nan 8.270 nan 0.000 0.450 330 V N 1.402 121.048 119.914 -0.447 0.000 2.769 330 V HA 0.834 4.957 4.120 0.006 0.000 0.312 330 V C -0.419 175.427 176.094 -0.414 0.000 1.058 330 V CA -0.735 61.324 62.300 -0.403 0.000 0.952 330 V CB 1.888 33.318 31.823 -0.656 0.000 1.019 330 V HN 0.942 nan 8.190 nan 0.000 0.445 331 A N 2.413 125.151 122.820 -0.137 0.000 2.513 331 A HA 0.863 5.186 4.320 0.006 0.000 0.296 331 A C -0.526 177.106 177.584 0.079 0.000 1.052 331 A CA -0.064 51.945 52.037 -0.046 0.000 0.714 331 A CB 1.910 20.888 19.000 -0.037 0.000 1.279 331 A HN 1.194 nan 8.150 nan 0.000 0.397 332 S N 0.238 116.005 115.700 0.111 0.000 2.697 332 S HA 0.677 5.150 4.470 0.006 0.000 0.289 332 S C 1.200 175.847 174.600 0.079 0.000 1.149 332 S CA 0.195 58.488 58.200 0.155 0.000 0.850 332 S CB 1.018 64.357 63.200 0.233 0.000 1.151 332 S HN 1.880 nan 8.310 nan 0.000 0.491 333 S N 0.708 116.446 115.700 0.064 0.000 2.380 333 S HA -0.172 4.301 4.470 0.006 0.000 0.229 333 S C 1.621 176.154 174.600 -0.112 0.000 1.043 333 S CA 1.614 59.807 58.200 -0.013 0.000 1.038 333 S CB -1.065 62.136 63.200 0.002 0.000 0.872 333 S HN 0.623 nan 8.310 nan 0.000 0.456 334 L N -1.495 119.664 121.223 -0.106 0.000 2.121 334 L HA 0.260 4.604 4.340 0.006 0.000 0.200 334 L C 0.940 177.550 176.870 -0.434 0.000 1.077 334 L CA 0.296 54.885 54.840 -0.419 0.000 0.766 334 L CB -0.216 41.667 42.059 -0.292 0.000 0.931 334 L HN 0.346 nan 8.230 nan 0.000 0.452 335 W N -0.867 120.447 121.300 0.022 0.000 2.509 335 W HA 0.496 5.160 4.660 0.005 0.000 0.351 335 W C -0.211 176.314 176.519 0.009 0.000 1.107 335 W CA -0.315 57.082 57.345 0.087 0.000 1.264 335 W CB 1.153 30.662 29.460 0.080 0.000 1.312 335 W HN -0.347 nan 8.180 nan 0.000 0.608 336 T N 2.549 117.315 114.554 0.353 0.000 3.071 336 T HA 0.593 4.946 4.350 0.006 0.000 0.311 336 T C -1.512 173.331 174.700 0.239 0.000 1.042 336 T CA -0.484 61.695 62.100 0.131 0.000 1.028 336 T CB 0.477 69.406 68.868 0.100 0.000 1.068 336 T HN 0.312 nan 8.240 nan 0.000 0.451 337 F N 0.024 119.992 119.950 0.031 0.000 2.842 337 F HA 0.785 5.316 4.527 0.006 0.000 0.319 337 F C -1.269 174.544 175.800 0.021 0.000 1.159 337 F CA -1.101 56.912 58.000 0.021 0.000 0.902 337 F CB 0.890 39.883 39.000 -0.012 0.000 1.311 337 F HN 0.391 nan 8.300 nan 0.000 0.453 338 S N 1.367 117.244 115.700 0.295 0.000 2.502 338 S HA 0.818 5.291 4.470 0.006 0.000 0.304 338 S C -1.013 173.781 174.600 0.324 0.000 1.097 338 S CA -0.557 57.725 58.200 0.136 0.000 1.045 338 S CB 0.491 63.748 63.200 0.095 0.000 1.019 338 S HN 0.896 nan 8.310 nan 0.000 0.481 339 F N 2.506 122.581 119.950 0.208 0.000 2.585 339 F HA 1.051 5.581 4.527 0.005 0.000 0.350 339 F C 0.480 176.289 175.800 0.015 0.000 1.074 339 F CA -0.372 57.697 58.000 0.115 0.000 1.032 339 F CB 0.687 39.717 39.000 0.050 0.000 1.330 339 F HN 0.834 nan 8.300 nan 0.000 0.495 340 G N -0.235 108.737 108.800 0.285 0.000 2.325 340 G HA2 0.492 4.456 3.960 0.006 0.000 0.295 340 G HA3 0.492 4.456 3.960 0.006 0.000 0.295 340 G C -2.801 172.338 174.900 0.398 0.000 1.274 340 G CA -0.738 44.511 45.100 0.249 0.000 0.857 340 G HN 0.943 nan 8.290 nan 0.000 0.499 341 L N 0.426 121.904 121.223 0.425 0.000 2.562 341 L HA 0.716 5.059 4.340 0.006 0.000 0.266 341 L C 0.456 177.464 176.870 0.231 0.000 0.949 341 L CA 0.262 55.197 54.840 0.159 0.000 0.879 341 L CB 1.750 43.581 42.059 -0.380 0.000 1.278 341 L HN 1.241 nan 8.230 nan 0.000 0.404 342 G N 2.143 111.003 108.800 0.099 0.000 2.444 342 G HA2 0.472 4.435 3.960 0.006 0.000 0.268 342 G HA3 0.472 4.435 3.960 0.006 0.000 0.268 342 G C 0.811 175.731 174.900 0.033 0.000 1.203 342 G CA 0.049 45.226 45.100 0.129 0.000 0.835 342 G HN 1.023 nan 8.290 nan 0.000 0.543 343 A N 1.465 124.271 122.820 -0.022 0.000 1.908 343 A HA 0.032 4.356 4.320 0.006 0.000 0.218 343 A C 1.749 178.990 177.584 -0.572 0.000 1.181 343 A CA 1.577 53.415 52.037 -0.331 0.000 0.627 343 A CB -0.311 18.203 19.000 -0.810 0.000 0.818 343 A HN 0.641 nan 8.150 nan 0.000 0.445 344 F N -1.660 118.342 119.950 0.086 0.000 2.602 344 F HA 0.119 4.649 4.527 0.006 0.000 0.284 344 F C 2.678 178.455 175.800 -0.039 0.000 1.111 344 F CA 0.605 58.626 58.000 0.035 0.000 1.405 344 F CB -0.279 38.746 39.000 0.041 0.000 1.121 344 F HN 0.202 nan 8.300 nan 0.000 0.603 345 S N -0.020 115.745 115.700 0.107 0.000 2.382 345 S HA 0.257 4.730 4.470 0.006 0.000 0.228 345 S C 1.411 175.877 174.600 -0.222 0.000 1.027 345 S CA 1.262 59.443 58.200 -0.032 0.000 0.991 345 S CB -0.797 62.425 63.200 0.035 0.000 0.823 345 S HN 0.675 nan 8.310 nan 0.000 0.469 346 G N 0.376 109.045 108.800 -0.219 0.000 2.568 346 G HA2 -0.155 3.809 3.960 0.006 0.000 0.222 346 G HA3 -0.155 3.809 3.960 0.006 0.000 0.222 346 G C -3.023 171.675 174.900 -0.337 0.000 1.321 346 G CA -0.559 44.309 45.100 -0.387 0.000 0.893 346 G HN 0.448 nan 8.290 nan 0.000 0.569 347 P HA 0.325 nan 4.420 nan 0.000 0.264 347 P C -0.054 177.146 177.300 -0.166 0.000 1.183 347 P CA 0.679 63.645 63.100 -0.222 0.000 0.763 347 P CB 0.322 31.858 31.700 -0.275 0.000 0.807 348 R N 2.660 123.138 120.500 -0.037 0.000 2.707 348 R HA 0.772 5.115 4.340 0.006 0.000 0.272 348 R C -1.570 174.659 176.300 -0.117 0.000 1.011 348 R CA -0.913 55.108 56.100 -0.131 0.000 0.893 348 R CB 1.567 31.826 30.300 -0.068 0.000 1.233 348 R HN 0.290 nan 8.270 nan 0.000 0.464 349 I N 2.065 122.397 120.570 -0.396 0.000 2.686 349 I HA 0.505 4.678 4.170 0.006 0.000 0.295 349 I C -1.363 174.333 176.117 -0.702 0.000 1.114 349 I CA -0.930 60.198 61.300 -0.286 0.000 1.038 349 I CB 2.206 40.097 38.000 -0.182 0.000 1.238 349 I HN 0.533 nan 8.210 nan 0.000 0.420 350 F N 2.480 122.284 119.950 -0.244 0.000 2.611 350 F HA 0.344 4.874 4.527 0.005 0.000 0.324 350 F C 0.218 175.784 175.800 -0.390 0.000 1.061 350 F CA -0.695 56.947 58.000 -0.596 0.000 0.954 350 F CB 0.968 39.125 39.000 -1.405 0.000 1.301 350 F HN 0.428 nan 8.300 nan 0.000 0.482 351 D N 1.529 121.790 120.400 -0.232 0.000 3.003 351 D HA -0.155 4.488 4.640 0.006 0.000 0.223 351 D C -1.130 175.258 176.300 0.147 0.000 1.204 351 D CA 0.320 54.315 54.000 -0.009 0.000 0.828 351 D CB -0.483 40.327 40.800 0.017 0.000 0.918 351 D HN 0.206 nan 8.370 nan 0.000 0.401 352 V N 4.030 124.050 119.914 0.176 0.000 2.385 352 V HA 0.380 4.503 4.120 0.006 0.000 0.269 352 V C 1.084 177.383 176.094 0.341 0.000 1.043 352 V CA -0.142 62.358 62.300 0.333 0.000 0.906 352 V CB 1.161 33.178 31.823 0.324 0.000 0.995 352 V HN 0.223 nan 8.190 nan 0.000 0.467 353 R N 4.209 124.935 120.500 0.378 0.000 2.439 353 R HA 0.449 4.792 4.340 0.006 0.000 0.310 353 R C -1.199 175.265 176.300 0.274 0.000 0.955 353 R CA -0.547 55.723 56.100 0.283 0.000 0.853 353 R CB 1.946 32.358 30.300 0.186 0.000 1.171 353 R HN 0.601 nan 8.270 nan 0.000 0.449 354 F N 3.844 123.788 119.950 -0.010 0.000 2.375 354 F HA 0.113 4.644 4.527 0.007 0.000 0.362 354 F C 0.168 175.900 175.800 -0.113 0.000 1.129 354 F CA -0.207 57.611 58.000 -0.304 0.000 1.154 354 F CB 0.419 39.171 39.000 -0.413 0.000 1.205 354 F HN 0.626 nan 8.300 nan 0.000 0.513 355 Q N 4.003 123.563 119.800 -0.399 0.000 2.463 355 Q HA -0.225 4.118 4.340 0.006 0.000 0.299 355 Q C 1.089 177.047 176.000 -0.069 0.000 1.353 355 Q CA 0.766 56.402 55.803 -0.278 0.000 0.828 355 Q CB -1.818 26.706 28.738 -0.356 0.000 1.157 355 Q HN 1.260 nan 8.270 nan 0.000 0.436 356 G N -0.239 108.556 108.800 -0.007 0.000 2.253 356 G HA2 -0.380 3.584 3.960 0.006 0.000 0.251 356 G HA3 -0.380 3.584 3.960 0.006 0.000 0.251 356 G C -0.035 174.927 174.900 0.104 0.000 0.998 356 G CA 0.406 45.533 45.100 0.046 0.000 0.621 356 G HN 0.510 nan 8.290 nan 0.000 0.524 357 E N 0.713 121.007 120.200 0.157 0.000 2.167 357 E HA 0.554 4.907 4.350 0.006 0.000 0.284 357 E C 0.609 177.343 176.600 0.224 0.000 1.016 357 E CA -0.895 55.636 56.400 0.218 0.000 0.817 357 E CB 0.374 30.274 29.700 0.333 0.000 1.080 357 E HN 0.423 nan 8.360 nan 0.000 0.397 358 R N 4.894 125.511 120.500 0.195 0.000 2.401 358 R HA 0.111 4.455 4.340 0.006 0.000 0.299 358 R C 0.145 176.539 176.300 0.156 0.000 1.064 358 R CA 0.037 56.246 56.100 0.182 0.000 1.000 358 R CB 0.395 30.801 30.300 0.176 0.000 0.973 358 R HN 0.765 nan 8.270 nan 0.000 0.438 359 L N 3.919 125.197 121.223 0.092 0.000 2.286 359 L HA 0.216 4.559 4.340 0.006 0.000 0.203 359 L C -0.081 176.750 176.870 -0.064 0.000 1.068 359 L CA 0.129 54.921 54.840 -0.081 0.000 0.811 359 L CB 0.415 42.319 42.059 -0.259 0.000 0.989 359 L HN 0.377 nan 8.230 nan 0.000 0.467 360 V N -2.103 117.811 119.914 0.000 0.000 2.656 360 V HA 0.159 4.282 4.120 0.006 0.000 0.307 360 V C 0.255 176.384 176.094 0.058 0.000 1.051 360 V CA -0.747 61.549 62.300 -0.006 0.000 0.893 360 V CB 1.753 33.524 31.823 -0.086 0.000 0.999 360 V HN 0.067 nan 8.190 nan 0.000 0.426 361 Y N 2.577 122.861 120.300 -0.025 0.000 2.220 361 Y HA 0.178 4.732 4.550 0.006 0.000 0.291 361 Y C 0.924 176.799 175.900 -0.041 0.000 1.129 361 Y CA 1.786 59.899 58.100 0.021 0.000 1.161 361 Y CB 0.466 38.970 38.460 0.073 0.000 0.997 361 Y HN 0.800 nan 8.280 nan 0.000 0.522 362 E N -0.240 119.829 120.200 -0.219 0.000 2.380 362 E HA 0.395 4.749 4.350 0.006 0.000 0.281 362 E C -1.968 174.380 176.600 -0.421 0.000 0.999 362 E CA -0.635 55.423 56.400 -0.570 0.000 0.800 362 E CB 1.331 30.642 29.700 -0.648 0.000 1.228 362 E HN 0.123 nan 8.360 nan 0.000 0.436 363 I N 3.066 123.330 120.570 -0.510 0.000 2.529 363 I HA 0.272 4.446 4.170 0.006 0.000 0.284 363 I C -0.666 175.247 176.117 -0.340 0.000 1.088 363 I CA -0.483 60.620 61.300 -0.328 0.000 1.062 363 I CB 1.791 39.645 38.000 -0.243 0.000 1.218 363 I HN 0.607 nan 8.210 nan 0.000 0.442 364 S N 5.678 121.219 115.700 -0.265 0.000 2.667 364 S HA 0.761 5.235 4.470 0.006 0.000 0.292 364 S C -1.009 173.476 174.600 -0.192 0.000 1.126 364 S CA -0.850 57.209 58.200 -0.236 0.000 0.881 364 S CB 2.410 65.468 63.200 -0.237 0.000 1.132 364 S HN 0.409 nan 8.310 nan 0.000 0.492 365 L N 1.014 122.040 121.223 -0.329 0.000 2.399 365 L HA 0.570 4.913 4.340 0.006 0.000 0.266 365 L C 0.721 177.295 176.870 -0.493 0.000 1.114 365 L CA 0.345 54.811 54.840 -0.624 0.000 0.804 365 L CB 0.735 42.238 42.059 -0.926 0.000 1.146 365 L HN 0.860 nan 8.230 nan 0.000 0.451 366 Q N 1.424 120.877 119.800 -0.579 0.000 2.288 366 Q HA 0.285 4.628 4.340 0.006 0.000 0.256 366 Q C -0.463 175.309 176.000 -0.379 0.000 0.835 366 Q CA 0.158 55.745 55.803 -0.360 0.000 0.958 366 Q CB 1.279 29.858 28.738 -0.266 0.000 1.125 366 Q HN 0.749 nan 8.270 nan 0.000 0.513 367 E N -1.059 118.797 120.200 -0.574 0.000 2.411 367 E HA 0.640 4.994 4.350 0.006 0.000 0.279 367 E C -2.058 174.249 176.600 -0.488 0.000 1.132 367 E CA -0.225 55.916 56.400 -0.431 0.000 0.876 367 E CB 0.977 30.432 29.700 -0.408 0.000 1.335 367 E HN 0.014 nan 8.360 nan 0.000 0.436 368 A N 1.156 123.859 122.820 -0.194 0.000 2.515 368 A HA 0.864 5.188 4.320 0.006 0.000 0.298 368 A C -1.897 175.756 177.584 0.115 0.000 1.059 368 A CA -0.527 51.422 52.037 -0.147 0.000 0.698 368 A CB 1.275 20.093 19.000 -0.303 0.000 1.289 368 A HN 0.689 nan 8.150 nan 0.000 0.404 369 L N 0.737 122.059 121.223 0.165 0.000 2.466 369 L HA 0.900 5.243 4.340 0.006 0.000 0.258 369 L C -0.700 176.202 176.870 0.054 0.000 0.973 369 L CA 0.109 54.995 54.840 0.076 0.000 0.826 369 L CB 2.184 44.196 42.059 -0.079 0.000 1.372 369 L HN 1.493 nan 8.230 nan 0.000 0.409 370 A N 5.575 128.397 122.820 0.004 0.000 2.651 370 A HA 0.610 4.933 4.320 0.006 0.000 0.290 370 A C -1.081 176.405 177.584 -0.162 0.000 1.185 370 A CA -0.241 51.747 52.037 -0.082 0.000 0.746 370 A CB 0.158 19.212 19.000 0.091 0.000 1.213 370 A HN 0.588 nan 8.150 nan 0.000 0.429 371 I N 2.873 123.270 120.570 -0.289 0.000 2.312 371 I HA 0.266 4.439 4.170 0.006 0.000 0.291 371 I C -0.524 175.451 176.117 -0.238 0.000 1.031 371 I CA -0.164 60.994 61.300 -0.237 0.000 1.293 371 I CB 0.515 38.361 38.000 -0.256 0.000 1.403 371 I HN 0.609 nan 8.210 nan 0.000 0.484 372 Y N 4.129 124.352 120.300 -0.127 0.000 2.488 372 Y HA 0.701 5.254 4.550 0.006 0.000 0.325 372 Y C 0.876 176.747 175.900 -0.047 0.000 1.204 372 Y CA -0.352 57.707 58.100 -0.069 0.000 1.229 372 Y CB 1.840 40.235 38.460 -0.108 0.000 1.274 372 Y HN 0.534 nan 8.280 nan 0.000 0.493 373 G N -1.014 107.906 108.800 0.201 0.000 2.680 373 G HA2 0.664 4.628 3.960 0.006 0.000 0.290 373 G HA3 0.664 4.628 3.960 0.006 0.000 0.290 373 G C -0.926 174.072 174.900 0.163 0.000 1.355 373 G CA -0.419 44.780 45.100 0.165 0.000 0.903 373 G HN 0.992 nan 8.290 nan 0.000 0.474 374 G N -1.259 107.568 108.800 0.044 0.000 2.337 374 G HA2 0.261 4.225 3.960 0.006 0.000 0.298 374 G HA3 0.261 4.225 3.960 0.006 0.000 0.298 374 G C 0.172 174.539 174.900 -0.888 0.000 1.335 374 G CA 0.136 45.075 45.100 -0.267 0.000 0.875 374 G HN 1.086 nan 8.290 nan 0.000 0.579 375 N N -1.312 116.940 118.700 -0.746 0.000 2.325 375 N HA 0.118 4.861 4.740 0.006 0.000 0.182 375 N C 0.544 175.908 175.510 -0.243 0.000 1.088 375 N CA 0.197 52.885 53.050 -0.602 0.000 0.879 375 N CB 0.472 38.643 38.487 -0.527 0.000 0.983 375 N HN 0.293 nan 8.380 nan 0.000 0.471 376 S N 1.737 117.289 115.700 -0.245 0.000 2.525 376 S HA 0.225 4.699 4.470 0.006 0.000 0.278 376 S C -1.721 172.462 174.600 -0.694 0.000 1.234 376 S CA -1.249 56.696 58.200 -0.424 0.000 1.058 376 S CB 1.949 65.080 63.200 -0.116 0.000 0.983 376 S HN -0.031 nan 8.310 nan 0.000 0.495 377 P HA -0.238 nan 4.420 nan 0.000 0.214 377 P C 1.431 178.076 177.300 -1.092 0.000 1.169 377 P CA 1.832 64.152 63.100 -1.300 0.000 0.908 377 P CB 0.060 30.373 31.700 -2.311 0.000 0.791 378 A N -0.205 122.039 122.820 -0.961 0.000 1.849 378 A HA -0.233 4.090 4.320 0.006 0.000 0.217 378 A C 2.351 179.739 177.584 -0.327 0.000 1.202 378 A CA 2.890 54.666 52.037 -0.435 0.000 0.629 378 A CB -1.793 17.156 19.000 -0.085 0.000 0.834 378 A HN 0.208 nan 8.150 nan 0.000 0.447 379 A N -0.898 121.762 122.820 -0.267 0.000 1.849 379 A HA -0.273 4.050 4.320 0.006 0.000 0.217 379 A C 2.299 179.766 177.584 -0.194 0.000 1.202 379 A CA 2.526 54.431 52.037 -0.221 0.000 0.629 379 A CB -0.829 18.090 19.000 -0.136 0.000 0.834 379 A HN 0.718 nan 8.150 nan 0.000 0.447 380 M N 0.002 119.454 119.600 -0.248 0.000 2.322 380 M HA -0.221 4.262 4.480 0.006 0.000 0.253 380 M C 0.971 177.183 176.300 -0.147 0.000 1.098 380 M CA 2.201 57.369 55.300 -0.220 0.000 1.041 380 M CB -0.350 32.059 32.600 -0.317 0.000 1.379 380 M HN 0.640 nan 8.290 nan 0.000 0.413 381 T N -4.233 110.219 114.554 -0.170 0.000 3.460 381 T HA 0.226 4.579 4.350 0.006 0.000 0.304 381 T C 0.019 174.658 174.700 -0.102 0.000 0.991 381 T CA -0.526 61.519 62.100 -0.092 0.000 0.975 381 T CB -0.035 68.798 68.868 -0.058 0.000 1.196 381 T HN 0.055 nan 8.240 nan 0.000 0.490 382 T N 3.254 117.711 114.554 -0.160 0.000 2.743 382 T HA 0.507 4.860 4.350 0.006 0.000 0.293 382 T C -0.132 174.432 174.700 -0.227 0.000 0.945 382 T CA -0.450 61.469 62.100 -0.302 0.000 1.030 382 T CB 0.573 69.126 68.868 -0.524 0.000 0.912 382 T HN 0.182 nan 8.240 nan 0.000 0.483 383 R N 2.859 123.186 120.500 -0.288 0.000 2.547 383 R HA 0.266 4.609 4.340 0.006 0.000 0.280 383 R C -1.301 174.863 176.300 -0.228 0.000 1.630 383 R CA -0.566 55.386 56.100 -0.246 0.000 1.470 383 R CB 0.136 30.330 30.300 -0.176 0.000 1.178 383 R HN 0.524 nan 8.270 nan 0.000 0.591 384 Y N 0.892 121.160 120.300 -0.054 0.000 2.650 384 Y HA 0.053 4.606 4.550 0.006 0.000 0.342 384 Y C 0.838 176.714 175.900 -0.040 0.000 1.110 384 Y CA -0.387 57.697 58.100 -0.027 0.000 1.438 384 Y CB 0.726 39.158 38.460 -0.047 0.000 1.181 384 Y HN 0.133 nan 8.280 nan 0.000 0.526 385 V N 4.821 124.867 119.914 0.220 0.000 2.219 385 V HA 0.037 4.161 4.120 0.006 0.000 0.267 385 V C 0.642 176.887 176.094 0.252 0.000 1.266 385 V CA -0.597 61.814 62.300 0.185 0.000 1.270 385 V CB 0.123 32.070 31.823 0.207 0.000 1.356 385 V HN 0.757 nan 8.190 nan 0.000 0.490 386 D N 3.353 123.879 120.400 0.209 0.000 2.311 386 D HA -0.204 4.439 4.640 0.006 0.000 0.204 386 D C 2.128 178.562 176.300 0.224 0.000 1.000 386 D CA 1.747 55.848 54.000 0.169 0.000 0.910 386 D CB 0.109 40.941 40.800 0.054 0.000 0.900 386 D HN 0.639 nan 8.370 nan 0.000 0.463 387 G N 0.340 109.240 108.800 0.166 0.000 2.509 387 G HA2 -0.103 3.861 3.960 0.006 0.000 0.218 387 G HA3 -0.103 3.861 3.960 0.006 0.000 0.218 387 G C 1.586 176.583 174.900 0.160 0.000 1.124 387 G CA 0.709 45.904 45.100 0.159 0.000 0.776 387 G HN 0.399 nan 8.290 nan 0.000 0.547 388 G N -0.615 108.277 108.800 0.153 0.000 2.848 388 G HA2 0.155 4.118 3.960 0.006 0.000 0.208 388 G HA3 0.155 4.118 3.960 0.006 0.000 0.208 388 G C 1.101 175.964 174.900 -0.061 0.000 1.152 388 G CA 0.162 45.251 45.100 -0.018 0.000 0.789 388 G HN 0.375 nan 8.290 nan 0.000 0.531 389 F N -0.126 119.849 119.950 0.042 0.000 2.557 389 F HA 0.411 4.941 4.527 0.006 0.000 0.278 389 F C 1.422 177.303 175.800 0.135 0.000 1.051 389 F CA 0.564 58.556 58.000 -0.014 0.000 1.357 389 F CB 0.608 39.392 39.000 -0.361 0.000 1.104 389 F HN 0.209 nan 8.300 nan 0.000 0.654 390 G N 0.882 109.905 108.800 0.372 0.000 3.373 390 G HA2 -0.124 3.839 3.960 0.006 0.000 0.685 390 G HA3 -0.124 3.839 3.960 0.006 0.000 0.685 390 G C 0.004 175.012 174.900 0.179 0.000 1.166 390 G CA -0.443 44.856 45.100 0.331 0.000 1.063 390 G HN -0.015 nan 8.290 nan 0.000 0.481 391 M N 2.177 121.825 119.600 0.080 0.000 2.200 391 M HA 0.140 4.624 4.480 0.006 0.000 0.265 391 M C 2.594 178.876 176.300 -0.030 0.000 1.066 391 M CA 2.647 57.981 55.300 0.056 0.000 1.127 391 M CB -0.554 31.981 32.600 -0.107 0.000 1.379 391 M HN 0.822 nan 8.290 nan 0.000 0.420 392 G N -0.486 108.226 108.800 -0.147 0.000 2.434 392 G HA2 -0.237 3.726 3.960 0.006 0.000 0.214 392 G HA3 -0.237 3.726 3.960 0.006 0.000 0.214 392 G C 1.606 176.386 174.900 -0.200 0.000 1.202 392 G CA 0.950 45.833 45.100 -0.362 0.000 0.788 392 G HN 0.435 nan 8.290 nan 0.000 0.539 393 K N -0.782 119.622 120.400 0.006 0.000 2.127 393 K HA -0.180 4.143 4.320 0.006 0.000 0.208 393 K C 1.498 178.176 176.600 0.130 0.000 1.047 393 K CA 1.353 57.686 56.287 0.076 0.000 0.927 393 K CB -0.262 32.328 32.500 0.149 0.000 0.716 393 K HN 0.402 nan 8.250 nan 0.000 0.450 394 Y N 0.367 120.674 120.300 0.012 0.000 2.532 394 Y HA 0.112 4.665 4.550 0.006 0.000 0.283 394 Y C 0.168 176.073 175.900 0.008 0.000 1.181 394 Y CA -0.071 58.063 58.100 0.056 0.000 1.256 394 Y CB 0.206 38.738 38.460 0.121 0.000 1.112 394 Y HN -0.116 nan 8.280 nan 0.000 0.521 395 T N 1.636 116.204 114.554 0.024 0.000 2.769 395 T HA 0.191 4.545 4.350 0.006 0.000 0.293 395 T C 0.571 175.245 174.700 -0.044 0.000 0.931 395 T CA -0.230 61.836 62.100 -0.058 0.000 1.139 395 T CB -0.027 68.667 68.868 -0.290 0.000 0.881 395 T HN 0.404 nan 8.240 nan 0.000 0.532 396 T N 4.570 119.115 114.554 -0.015 0.000 2.902 396 T HA 0.556 4.909 4.350 0.006 0.000 0.280 396 T C -2.714 171.979 174.700 -0.012 0.000 0.992 396 T CA -2.003 60.093 62.100 -0.006 0.000 1.015 396 T CB 0.777 69.647 68.868 0.003 0.000 1.044 396 T HN 0.307 nan 8.240 nan 0.000 0.520 397 P HA 0.270 nan 4.420 nan 0.000 0.271 397 P C -0.599 176.713 177.300 0.020 0.000 1.216 397 P CA -0.366 62.750 63.100 0.027 0.000 0.771 397 P CB 0.319 32.042 31.700 0.039 0.000 0.864 398 L N 2.774 124.028 121.223 0.053 0.000 2.331 398 L HA 0.198 4.542 4.340 0.006 0.000 0.278 398 L C 0.632 177.531 176.870 0.048 0.000 1.106 398 L CA 0.009 54.893 54.840 0.073 0.000 0.824 398 L CB 0.345 42.499 42.059 0.158 0.000 1.142 398 L HN 0.293 nan 8.230 nan 0.000 0.443 399 T N 4.222 118.771 114.554 -0.008 0.000 2.782 399 T HA 0.194 4.547 4.350 0.006 0.000 0.298 399 T C 0.311 174.933 174.700 -0.129 0.000 0.944 399 T CA -0.578 61.476 62.100 -0.077 0.000 1.001 399 T CB -0.253 68.569 68.868 -0.077 0.000 0.932 399 T HN 0.421 nan 8.240 nan 0.000 0.524 400 R N 2.109 122.463 120.500 -0.243 0.000 2.494 400 R HA 0.258 4.601 4.340 0.006 0.000 0.291 400 R C 1.466 177.385 176.300 -0.635 0.000 0.953 400 R CA 0.685 56.563 56.100 -0.370 0.000 1.098 400 R CB -0.213 29.723 30.300 -0.606 0.000 0.911 400 R HN 0.960 nan 8.270 nan 0.000 0.407 401 G N 1.016 109.425 108.800 -0.652 0.000 2.194 401 G HA2 -0.268 3.696 3.960 0.006 0.000 0.236 401 G HA3 -0.268 3.696 3.960 0.006 0.000 0.236 401 G C 0.401 175.111 174.900 -0.316 0.000 0.987 401 G CA 0.162 44.726 45.100 -0.894 0.000 0.635 401 G HN 0.471 nan 8.290 nan 0.000 0.520 402 V N -0.110 119.665 119.914 -0.231 0.000 3.449 402 V HA 0.186 4.309 4.120 0.006 0.000 0.208 402 V C 2.047 178.058 176.094 -0.138 0.000 1.269 402 V CA 1.385 63.601 62.300 -0.141 0.000 1.301 402 V CB -0.176 31.579 31.823 -0.114 0.000 1.306 402 V HN 0.117 nan 8.190 nan 0.000 0.531 403 D N 0.013 120.341 120.400 -0.120 0.000 2.178 403 D HA -0.044 4.600 4.640 0.006 0.000 0.201 403 D C 0.468 176.682 176.300 -0.142 0.000 0.980 403 D CA 1.157 55.091 54.000 -0.109 0.000 0.842 403 D CB -0.003 40.761 40.800 -0.059 0.000 0.948 403 D HN 0.404 nan 8.370 nan 0.000 0.472 404 c N -0.992 117.507 118.600 -0.168 0.000 3.241 404 c HA 0.393 4.967 4.570 0.006 0.000 0.312 404 c C -2.406 171.489 174.090 -0.325 0.000 1.350 404 c CA -1.581 54.536 56.329 -0.352 0.000 1.415 404 c CB 1.988 44.262 42.510 -0.393 0.000 1.770 404 c HN 0.000 nan 8.230 nan 0.000 0.466 405 P HA 0.108 nan 4.420 nan 0.000 0.270 405 P C -0.083 177.215 177.300 -0.003 0.000 1.227 405 P CA 0.212 63.188 63.100 -0.206 0.000 0.788 405 P CB 0.344 31.899 31.700 -0.241 0.000 0.926 406 Y N 0.072 120.413 120.300 0.068 0.000 2.114 406 Y HA -0.075 4.478 4.550 0.006 0.000 0.284 406 Y C 1.649 177.672 175.900 0.204 0.000 1.143 406 Y CA 1.270 59.444 58.100 0.123 0.000 1.135 406 Y CB -0.476 38.034 38.460 0.083 0.000 0.980 406 Y HN 0.169 nan 8.280 nan 0.000 0.499 407 L N 1.311 122.771 121.223 0.395 0.000 2.511 407 L HA 0.231 4.575 4.340 0.006 0.000 0.239 407 L C 0.013 177.114 176.870 0.386 0.000 1.400 407 L CA -0.425 54.638 54.840 0.371 0.000 1.226 407 L CB -1.092 41.238 42.059 0.452 0.000 1.475 407 L HN 0.131 nan 8.230 nan 0.000 0.428 408 A N 0.216 123.239 122.820 0.340 0.000 2.435 408 A HA 0.748 5.071 4.320 0.006 0.000 0.296 408 A C -0.267 177.464 177.584 0.244 0.000 1.147 408 A CA -0.449 51.749 52.037 0.269 0.000 0.775 408 A CB 1.384 20.325 19.000 -0.098 0.000 1.340 408 A HN 0.186 nan 8.150 nan 0.000 0.427 409 T N 1.449 116.121 114.554 0.197 0.000 2.749 409 T HA 0.523 4.876 4.350 0.006 0.000 0.287 409 T C -1.290 173.452 174.700 0.070 0.000 0.970 409 T CA 0.480 62.700 62.100 0.200 0.000 0.980 409 T CB -0.239 68.764 68.868 0.225 0.000 0.924 409 T HN 0.329 nan 8.240 nan 0.000 0.456 410 Y N 1.888 122.274 120.300 0.143 0.000 2.361 410 Y HA 0.589 5.142 4.550 0.005 0.000 0.332 410 Y C 0.263 176.269 175.900 0.177 0.000 1.101 410 Y CA -0.905 57.280 58.100 0.142 0.000 1.137 410 Y CB 1.112 39.629 38.460 0.095 0.000 1.207 410 Y HN 0.288 nan 8.280 nan 0.000 0.463 411 V N 2.651 122.775 119.914 0.349 0.000 2.914 411 V HA 0.394 4.517 4.120 0.006 0.000 0.314 411 V C -0.613 175.724 176.094 0.406 0.000 1.084 411 V CA -1.074 61.457 62.300 0.385 0.000 0.963 411 V CB 2.075 34.178 31.823 0.467 0.000 1.025 411 V HN 0.640 nan 8.190 nan 0.000 0.432 412 D N 0.426 121.032 120.400 0.344 0.000 2.466 412 D HA 0.553 5.197 4.640 0.006 0.000 0.262 412 D C -1.131 175.387 176.300 0.364 0.000 1.177 412 D CA 0.052 54.216 54.000 0.274 0.000 1.035 412 D CB 1.127 42.021 40.800 0.157 0.000 1.105 412 D HN 0.568 nan 8.370 nan 0.000 0.551 413 W N 0.379 121.661 121.300 -0.031 0.000 3.615 413 W HA 0.241 4.905 4.660 0.005 0.000 0.319 413 W C -1.380 175.121 176.519 -0.029 0.000 1.172 413 W CA -0.399 56.944 57.345 -0.003 0.000 1.240 413 W CB 0.656 30.218 29.460 0.169 0.000 1.313 413 W HN 0.277 nan 8.180 nan 0.000 0.487 414 H N 5.282 124.238 119.070 -0.190 0.000 2.502 414 H HA 0.720 5.279 4.556 0.006 0.000 0.338 414 H C -0.577 174.387 175.328 -0.607 0.000 1.155 414 H CA -0.480 55.372 56.048 -0.327 0.000 1.237 414 H CB 1.500 31.118 29.762 -0.239 0.000 1.534 414 H HN 0.357 nan 8.280 nan 0.000 0.523 415 F N -0.081 119.637 119.950 -0.386 0.000 2.688 415 F HA 0.370 4.900 4.527 0.006 0.000 0.308 415 F C -2.036 173.626 175.800 -0.230 0.000 1.117 415 F CA -1.215 56.504 58.000 -0.468 0.000 0.976 415 F CB 0.939 39.544 39.000 -0.659 0.000 1.291 415 F HN 0.240 nan 8.300 nan 0.000 0.439 416 L N 4.297 125.486 121.223 -0.056 0.000 2.435 416 L HA 0.639 4.983 4.340 0.006 0.000 0.253 416 L C -1.640 175.241 176.870 0.018 0.000 1.087 416 L CA -0.672 54.136 54.840 -0.053 0.000 0.950 416 L CB 0.678 42.690 42.059 -0.077 0.000 1.304 416 L HN 0.734 nan 8.230 nan 0.000 0.453 417 L N 3.018 124.325 121.223 0.140 0.000 2.365 417 L HA 0.452 4.796 4.340 0.006 0.000 0.273 417 L C 0.809 177.669 176.870 -0.017 0.000 1.000 417 L CA -0.677 54.154 54.840 -0.015 0.000 0.819 417 L CB 1.823 43.874 42.059 -0.012 0.000 1.284 417 L HN 0.446 nan 8.230 nan 0.000 0.418 418 E N 0.675 120.767 120.200 -0.181 0.000 2.551 418 E HA -0.262 4.091 4.350 0.006 0.000 0.251 418 E C -0.201 176.440 176.600 0.069 0.000 1.210 418 E CA 0.952 57.326 56.400 -0.044 0.000 0.725 418 E CB -0.488 29.201 29.700 -0.018 0.000 1.290 418 E HN 0.512 nan 8.360 nan 0.000 0.413 419 S N -1.836 113.888 115.700 0.040 0.000 2.671 419 S HA 0.375 4.849 4.470 0.006 0.000 0.277 419 S C 0.101 174.709 174.600 0.013 0.000 1.165 419 S CA -0.602 57.628 58.200 0.050 0.000 0.822 419 S CB 1.908 65.145 63.200 0.062 0.000 1.150 419 S HN 0.161 nan 8.310 nan 0.000 0.479 420 Q N 0.015 119.821 119.800 0.009 0.000 2.246 420 Q HA 0.388 4.732 4.340 0.006 0.000 0.222 420 Q C -0.136 175.850 176.000 -0.025 0.000 0.851 420 Q CA -0.002 55.800 55.803 -0.002 0.000 0.945 420 Q CB 1.219 29.963 28.738 0.010 0.000 1.122 420 Q HN 0.596 nan 8.270 nan 0.000 0.508 421 A N 2.783 125.579 122.820 -0.040 0.000 2.330 421 A HA 0.556 4.880 4.320 0.006 0.000 0.313 421 A C -2.586 174.915 177.584 -0.138 0.000 1.124 421 A CA -1.640 50.353 52.037 -0.074 0.000 0.774 421 A CB 0.919 19.884 19.000 -0.058 0.000 1.198 421 A HN -0.141 nan 8.150 nan 0.000 0.465 422 P HA 0.324 nan 4.420 nan 0.000 0.276 422 P C -0.826 176.230 177.300 -0.407 0.000 1.230 422 P CA 0.076 62.981 63.100 -0.325 0.000 0.776 422 P CB 1.060 32.600 31.700 -0.267 0.000 0.888 423 K N 1.061 121.001 120.400 -0.768 0.000 2.306 423 K HA 0.662 4.986 4.320 0.006 0.000 0.236 423 K C -0.130 176.068 176.600 -0.670 0.000 1.013 423 K CA -0.660 55.241 56.287 -0.644 0.000 0.857 423 K CB 1.529 33.712 32.500 -0.529 0.000 1.214 423 K HN 0.314 nan 8.250 nan 0.000 0.449 424 T N 0.801 115.271 114.554 -0.140 0.000 2.887 424 T HA 0.529 4.883 4.350 0.006 0.000 0.288 424 T C -0.415 174.463 174.700 0.297 0.000 1.021 424 T CA -0.697 61.490 62.100 0.144 0.000 1.000 424 T CB 0.853 69.872 68.868 0.252 0.000 1.034 424 T HN 0.317 nan 8.240 nan 0.000 0.467 425 I N 2.509 123.311 120.570 0.387 0.000 2.382 425 I HA 0.357 4.530 4.170 0.006 0.000 0.286 425 I C 0.477 176.733 176.117 0.232 0.000 1.002 425 I CA -0.823 60.672 61.300 0.325 0.000 1.135 425 I CB 1.252 39.465 38.000 0.355 0.000 1.288 425 I HN 0.348 nan 8.210 nan 0.000 0.448 426 R N 5.288 125.890 120.500 0.171 0.000 2.491 426 R HA 0.102 4.446 4.340 0.006 0.000 0.283 426 R C -0.494 175.895 176.300 0.150 0.000 1.072 426 R CA -0.303 55.887 56.100 0.150 0.000 1.048 426 R CB 0.211 30.574 30.300 0.106 0.000 0.983 426 R HN 0.576 nan 8.270 nan 0.000 0.450 427 D N 1.266 121.786 120.400 0.200 0.000 2.735 427 D HA -0.216 4.427 4.640 0.006 0.000 0.235 427 D C 0.594 176.987 176.300 0.155 0.000 1.175 427 D CA 1.159 55.319 54.000 0.265 0.000 0.683 427 D CB -1.088 39.884 40.800 0.287 0.000 1.008 427 D HN 0.743 nan 8.370 nan 0.000 0.416 428 A N -0.734 122.132 122.820 0.077 0.000 1.898 428 A HA 0.192 4.515 4.320 0.006 0.000 0.214 428 A C 0.759 178.100 177.584 -0.406 0.000 1.183 428 A CA 0.708 52.617 52.037 -0.214 0.000 0.622 428 A CB 0.150 18.935 19.000 -0.359 0.000 0.824 428 A HN 0.239 nan 8.150 nan 0.000 0.444 429 F N -1.384 118.586 119.950 0.033 0.000 2.497 429 F HA 0.547 5.077 4.527 0.006 0.000 0.331 429 F C 0.356 176.090 175.800 -0.110 0.000 1.060 429 F CA -0.956 56.998 58.000 -0.076 0.000 0.989 429 F CB 1.451 40.329 39.000 -0.204 0.000 1.245 429 F HN 0.274 nan 8.300 nan 0.000 0.486 430 c N 0.936 119.545 118.600 0.016 0.000 2.701 430 c HA 0.906 5.480 4.570 0.006 0.000 0.336 430 c C -1.466 172.625 174.090 0.001 0.000 1.123 430 c CA -0.790 55.431 56.329 -0.179 0.000 1.326 430 c CB 0.490 42.738 42.510 -0.436 0.000 1.833 430 c HN 0.657 nan 8.230 nan 0.000 0.473 431 V N 4.992 124.935 119.914 0.047 0.000 2.604 431 V HA 0.913 5.037 4.120 0.006 0.000 0.305 431 V C -0.163 176.091 176.094 0.267 0.000 1.043 431 V CA -0.117 62.221 62.300 0.064 0.000 0.888 431 V CB 1.368 33.215 31.823 0.039 0.000 0.995 431 V HN 1.069 nan 8.190 nan 0.000 0.429 432 F N 0.990 120.821 119.950 -0.198 0.000 3.052 432 F HA 0.773 5.303 4.527 0.005 0.000 0.323 432 F C -0.896 174.758 175.800 -0.244 0.000 1.178 432 F CA -1.085 56.897 58.000 -0.030 0.000 0.892 432 F CB 1.813 40.898 39.000 0.142 0.000 1.416 432 F HN 0.429 nan 8.300 nan 0.000 0.488 433 E N 0.639 120.929 120.200 0.150 0.000 2.222 433 E HA 0.449 4.803 4.350 0.006 0.000 0.267 433 E C -1.869 174.736 176.600 0.008 0.000 0.884 433 E CA -0.887 55.461 56.400 -0.087 0.000 0.764 433 E CB 2.060 31.815 29.700 0.091 0.000 1.169 433 E HN 0.603 nan 8.360 nan 0.000 0.413 434 Q N 3.116 122.874 119.800 -0.072 0.000 2.320 434 Q HA 0.242 4.585 4.340 0.006 0.000 0.268 434 Q C -1.398 174.589 176.000 -0.023 0.000 1.023 434 Q CA -0.734 55.086 55.803 0.028 0.000 0.744 434 Q CB 0.997 29.807 28.738 0.120 0.000 1.246 434 Q HN 0.494 nan 8.270 nan 0.000 0.462 435 N N 3.173 121.846 118.700 -0.043 0.000 2.416 435 N HA -0.042 4.702 4.740 0.006 0.000 0.271 435 N C 0.380 175.893 175.510 0.005 0.000 1.245 435 N CA 0.309 53.340 53.050 -0.032 0.000 0.940 435 N CB 0.823 39.273 38.487 -0.061 0.000 1.175 435 N HN 0.544 nan 8.380 nan 0.000 0.483 436 Q N 3.522 123.336 119.800 0.023 0.000 2.226 436 Q HA -0.023 4.320 4.340 0.006 0.000 0.204 436 Q C 1.150 177.173 176.000 0.038 0.000 0.975 436 Q CA 1.280 57.108 55.803 0.041 0.000 0.866 436 Q CB -0.391 28.386 28.738 0.064 0.000 0.915 436 Q HN 0.950 nan 8.270 nan 0.000 0.440 437 G N 0.806 109.626 108.800 0.033 0.000 2.147 437 G HA2 -0.257 3.707 3.960 0.006 0.000 0.244 437 G HA3 -0.257 3.707 3.960 0.006 0.000 0.244 437 G C -0.333 174.591 174.900 0.040 0.000 1.005 437 G CA 0.575 45.693 45.100 0.031 0.000 0.713 437 G HN 0.311 nan 8.290 nan 0.000 0.515 438 L N 0.273 121.526 121.223 0.051 0.000 2.434 438 L HA 0.848 5.191 4.340 0.006 0.000 0.260 438 L C -2.332 174.580 176.870 0.069 0.000 0.983 438 L CA -2.136 52.738 54.840 0.056 0.000 0.820 438 L CB 2.430 44.521 42.059 0.055 0.000 1.361 438 L HN -0.080 nan 8.230 nan 0.000 0.410 439 P HA 0.161 nan 4.420 nan 0.000 0.282 439 P C -0.004 177.342 177.300 0.077 0.000 1.249 439 P CA -0.440 62.713 63.100 0.088 0.000 0.806 439 P CB 1.829 33.595 31.700 0.109 0.000 0.984 440 L N 2.712 123.984 121.223 0.081 0.000 2.071 440 L HA 0.082 4.425 4.340 0.006 0.000 0.201 440 L C 0.984 177.885 176.870 0.051 0.000 1.076 440 L CA 1.773 56.658 54.840 0.075 0.000 0.755 440 L CB -0.321 41.793 42.059 0.092 0.000 0.915 440 L HN 0.482 nan 8.230 nan 0.000 0.445 441 R N -0.545 119.984 120.500 0.048 0.000 2.795 441 R HA 0.731 5.074 4.340 0.006 0.000 0.275 441 R C -0.927 175.385 176.300 0.020 0.000 0.981 441 R CA -0.856 55.260 56.100 0.026 0.000 0.917 441 R CB 1.214 31.525 30.300 0.018 0.000 1.202 441 R HN 0.003 nan 8.270 nan 0.000 0.469 442 R N 1.921 122.428 120.500 0.012 0.000 2.764 442 R HA 0.203 4.546 4.340 0.006 0.000 0.250 442 R C -2.174 174.149 176.300 0.038 0.000 1.122 442 R CA -0.635 55.454 56.100 -0.020 0.000 1.022 442 R CB 1.316 31.673 30.300 0.094 0.000 1.266 442 R HN 0.985 nan 8.270 nan 0.000 0.454 443 H N 2.053 120.981 119.070 -0.236 0.000 2.966 443 H HA 0.404 4.963 4.556 0.006 0.000 0.347 443 H C -1.753 173.497 175.328 -0.129 0.000 1.048 443 H CA -0.329 55.653 56.048 -0.111 0.000 1.295 443 H CB 1.110 30.836 29.762 -0.060 0.000 1.744 443 H HN 0.690 nan 8.280 nan 0.000 0.513 444 H N 2.910 121.704 119.070 -0.461 0.000 2.595 444 H HA 0.462 5.022 4.556 0.006 0.000 0.313 444 H C -0.921 173.977 175.328 -0.717 0.000 1.023 444 H CA -0.299 55.614 56.048 -0.224 0.000 1.218 444 H CB 1.052 30.827 29.762 0.020 0.000 1.403 444 H HN 0.456 nan 8.280 nan 0.000 0.477 445 S N 3.389 118.464 115.700 -1.041 0.000 2.429 445 S HA 0.178 4.652 4.470 0.006 0.000 0.302 445 S C -0.106 174.040 174.600 -0.757 0.000 1.115 445 S CA -0.613 57.033 58.200 -0.923 0.000 1.095 445 S CB 0.449 62.834 63.200 -1.359 0.000 0.987 445 S HN 0.813 nan 8.310 nan 0.000 0.474 446 D N 3.235 123.259 120.400 -0.627 0.000 2.500 446 D HA 0.165 4.808 4.640 0.006 0.000 0.217 446 D C -0.638 175.247 176.300 -0.692 0.000 1.159 446 D CA -0.038 53.414 54.000 -0.913 0.000 0.828 446 D CB 0.601 41.147 40.800 -0.424 0.000 1.039 446 D HN 0.386 nan 8.370 nan 0.000 0.512 447 L N 0.696 121.653 121.223 -0.443 0.000 2.280 447 L HA 0.237 4.580 4.340 0.006 0.000 0.287 447 L C 0.184 176.926 176.870 -0.213 0.000 1.023 447 L CA 0.005 54.602 54.840 -0.405 0.000 0.819 447 L CB 0.126 41.907 42.059 -0.464 0.000 1.212 447 L HN 0.131 nan 8.230 nan 0.000 0.420 448 Y N 0.876 121.215 120.300 0.065 0.000 2.765 448 Y HA -0.401 4.152 4.550 0.005 0.000 0.475 448 Y C 0.890 176.906 175.900 0.193 0.000 1.140 448 Y CA 1.147 59.316 58.100 0.116 0.000 2.801 448 Y CB -1.508 37.008 38.460 0.093 0.000 1.100 448 Y HN 0.622 nan 8.280 nan 0.000 0.598 449 S N 1.156 117.093 115.700 0.395 0.000 2.433 449 S HA 0.338 4.811 4.470 0.006 0.000 0.310 449 S C -0.844 173.947 174.600 0.317 0.000 1.097 449 S CA -0.566 57.869 58.200 0.391 0.000 1.103 449 S CB 0.307 63.760 63.200 0.421 0.000 0.992 449 S HN 0.290 nan 8.310 nan 0.000 0.469 450 H N 5.618 124.729 119.070 0.069 0.000 3.014 450 H HA 0.231 4.790 4.556 0.006 0.000 0.266 450 H C -0.631 174.631 175.328 -0.110 0.000 1.455 450 H CA -0.188 55.796 56.048 -0.106 0.000 1.402 450 H CB -0.225 29.497 29.762 -0.067 0.000 1.626 450 H HN 0.663 nan 8.280 nan 0.000 0.520 451 Y N 0.876 121.138 120.300 -0.064 0.000 2.659 451 Y HA 0.615 5.169 4.550 0.005 0.000 0.333 451 Y C -1.378 174.319 175.900 -0.338 0.000 1.064 451 Y CA -1.929 56.058 58.100 -0.188 0.000 1.141 451 Y CB 1.415 39.871 38.460 -0.007 0.000 1.316 451 Y HN 0.188 nan 8.280 nan 0.000 0.509 452 F N 0.283 119.830 119.950 -0.672 0.000 2.604 452 F HA 0.762 5.292 4.527 0.005 0.000 0.316 452 F C -0.983 174.539 175.800 -0.464 0.000 1.136 452 F CA -0.898 56.676 58.000 -0.710 0.000 0.989 452 F CB 2.183 40.542 39.000 -1.068 0.000 1.258 452 F HN 0.930 nan 8.300 nan 0.000 0.451 453 G N 2.796 110.941 108.800 -1.091 0.000 2.737 453 G HA2 0.602 4.566 3.960 0.006 0.000 0.290 453 G HA3 0.602 4.566 3.960 0.006 0.000 0.290 453 G C -1.111 173.314 174.900 -0.791 0.000 1.482 453 G CA -0.300 44.468 45.100 -0.553 0.000 1.017 453 G HN 1.114 nan 8.290 nan 0.000 0.529 454 G N -0.424 108.102 108.800 -0.456 0.000 2.921 454 G HA2 0.814 4.777 3.960 0.006 0.000 0.291 454 G HA3 0.814 4.777 3.960 0.006 0.000 0.291 454 G C -1.762 173.170 174.900 0.052 0.000 1.370 454 G CA -0.965 44.047 45.100 -0.147 0.000 0.847 454 G HN 1.501 nan 8.290 nan 0.000 0.532 455 L N -0.359 120.926 121.223 0.102 0.000 3.096 455 L HA 0.623 4.966 4.340 0.006 0.000 0.242 455 L C 0.080 177.012 176.870 0.104 0.000 0.957 455 L CA -0.203 54.698 54.840 0.101 0.000 1.141 455 L CB 0.487 42.589 42.059 0.072 0.000 1.584 455 L HN 1.238 nan 8.230 nan 0.000 0.570 456 A N 3.166 126.052 122.820 0.110 0.000 2.498 456 A HA 0.417 4.740 4.320 0.006 0.000 0.239 456 A C 0.270 177.905 177.584 0.084 0.000 1.068 456 A CA 0.233 52.325 52.037 0.093 0.000 0.766 456 A CB 0.239 19.286 19.000 0.079 0.000 1.003 456 A HN 0.777 nan 8.150 nan 0.000 0.497 457 E N 1.106 121.358 120.200 0.087 0.000 2.301 457 E HA 0.424 4.777 4.350 0.006 0.000 0.275 457 E C -0.812 175.833 176.600 0.075 0.000 1.030 457 E CA -0.210 56.250 56.400 0.100 0.000 0.852 457 E CB 0.701 30.478 29.700 0.129 0.000 1.060 457 E HN 0.512 nan 8.360 nan 0.000 0.401 458 T N 3.668 118.267 114.554 0.075 0.000 2.848 458 T HA 0.405 4.759 4.350 0.006 0.000 0.285 458 T C -0.820 173.898 174.700 0.031 0.000 0.995 458 T CA -0.661 61.458 62.100 0.032 0.000 0.970 458 T CB 1.270 70.151 68.868 0.021 0.000 0.976 458 T HN 0.458 nan 8.240 nan 0.000 0.441 459 V N 1.865 121.747 119.914 -0.053 0.000 3.019 459 V HA 0.901 5.025 4.120 0.006 0.000 0.317 459 V C -1.054 174.900 176.094 -0.233 0.000 1.094 459 V CA -1.144 61.063 62.300 -0.154 0.000 1.000 459 V CB 1.801 33.420 31.823 -0.340 0.000 1.060 459 V HN 0.656 nan 8.190 nan 0.000 0.443 460 L N 3.074 124.140 121.223 -0.263 0.000 2.307 460 L HA 0.831 5.175 4.340 0.006 0.000 0.284 460 L C -0.500 176.119 176.870 -0.419 0.000 1.023 460 L CA -0.047 54.577 54.840 -0.360 0.000 0.810 460 L CB 1.562 43.472 42.059 -0.247 0.000 1.231 460 L HN 0.711 nan 8.230 nan 0.000 0.423 461 V N 4.995 124.495 119.914 -0.689 0.000 2.735 461 V HA 0.654 4.777 4.120 0.006 0.000 0.310 461 V C -0.787 175.044 176.094 -0.438 0.000 1.061 461 V CA -0.793 61.114 62.300 -0.654 0.000 0.913 461 V CB 2.102 33.256 31.823 -1.115 0.000 1.005 461 V HN 0.464 nan 8.190 nan 0.000 0.428 462 V N 4.278 124.075 119.914 -0.195 0.000 2.483 462 V HA 0.629 4.753 4.120 0.006 0.000 0.297 462 V C -0.168 175.916 176.094 -0.017 0.000 1.027 462 V CA -0.577 61.667 62.300 -0.093 0.000 0.855 462 V CB 1.689 33.483 31.823 -0.047 0.000 0.995 462 V HN 0.931 nan 8.190 nan 0.000 0.424 463 R N 2.763 123.297 120.500 0.056 0.000 2.854 463 R HA 0.864 5.208 4.340 0.006 0.000 0.271 463 R C -0.994 175.365 176.300 0.099 0.000 0.994 463 R CA -0.306 55.856 56.100 0.103 0.000 0.945 463 R CB 2.166 32.540 30.300 0.124 0.000 1.194 463 R HN 0.744 nan 8.270 nan 0.000 0.476 464 S N 2.633 118.400 115.700 0.112 0.000 2.542 464 S HA 0.481 4.955 4.470 0.006 0.000 0.276 464 S C -1.538 173.140 174.600 0.129 0.000 1.148 464 S CA -0.768 57.450 58.200 0.030 0.000 0.886 464 S CB 1.308 64.483 63.200 -0.041 0.000 1.109 464 S HN 0.582 nan 8.310 nan 0.000 0.458 465 M N 3.271 122.887 119.600 0.026 0.000 2.259 465 M HA 0.441 4.925 4.480 0.006 0.000 0.304 465 M C -0.880 175.457 176.300 0.062 0.000 1.019 465 M CA -0.409 54.896 55.300 0.008 0.000 0.922 465 M CB 2.319 34.883 32.600 -0.060 0.000 1.600 465 M HN 0.594 nan 8.290 nan 0.000 0.433 466 S N 1.271 117.077 115.700 0.176 0.000 2.489 466 S HA 0.575 5.049 4.470 0.006 0.000 0.291 466 S C -0.326 174.356 174.600 0.137 0.000 1.151 466 S CA -0.695 57.648 58.200 0.239 0.000 1.082 466 S CB 1.458 64.948 63.200 0.483 0.000 1.019 466 S HN 0.619 nan 8.310 nan 0.000 0.492 467 T N 3.401 118.039 114.554 0.139 0.000 3.053 467 T HA 0.333 4.686 4.350 0.006 0.000 0.363 467 T C -0.258 174.550 174.700 0.180 0.000 1.239 467 T CA -0.371 61.766 62.100 0.061 0.000 1.071 467 T CB -0.250 68.644 68.868 0.044 0.000 1.089 467 T HN 0.380 nan 8.240 nan 0.000 0.527 468 L N 5.411 126.637 121.223 0.006 0.000 2.334 468 L HA 0.328 4.671 4.340 0.006 0.000 0.286 468 L C 1.112 177.864 176.870 -0.195 0.000 1.108 468 L CA -0.246 54.532 54.840 -0.103 0.000 0.875 468 L CB -0.141 41.733 42.059 -0.309 0.000 1.246 468 L HN 0.664 nan 8.230 nan 0.000 0.439 469 L N 0.778 122.020 121.223 0.031 0.000 4.318 469 L HA -0.427 3.916 4.340 0.006 0.000 0.053 469 L C 1.117 177.863 176.870 -0.206 0.000 3.708 469 L CA 1.777 56.632 54.840 0.025 0.000 1.241 469 L CB -1.140 40.877 42.059 -0.070 0.000 3.179 469 L HN 0.927 nan 8.230 nan 0.000 0.854 473 Y N 0.499 120.626 120.300 -0.288 0.000 2.320 473 Y HA 0.516 5.069 4.550 0.006 0.000 0.334 473 Y C 0.278 175.684 175.900 -0.822 0.000 1.055 473 Y CA -1.046 56.689 58.100 -0.608 0.000 1.143 473 Y CB 1.312 39.213 38.460 -0.932 0.000 1.193 473 Y HN 0.137 nan 8.280 nan 0.000 0.477 474 V N 3.717 123.364 119.914 -0.445 0.000 2.333 474 V HA 0.136 4.260 4.120 0.006 0.000 0.274 474 V C -0.911 175.045 176.094 -0.231 0.000 1.028 474 V CA -1.087 61.033 62.300 -0.301 0.000 0.851 474 V CB -0.185 31.549 31.823 -0.149 0.000 1.000 474 V HN 0.662 nan 8.190 nan 0.000 0.456 475 W N 3.151 124.549 121.300 0.164 0.000 2.335 475 W HA 0.585 5.248 4.660 0.005 0.000 0.307 475 W C 0.053 176.610 176.519 0.065 0.000 1.117 475 W CA -0.510 56.914 57.345 0.131 0.000 1.228 475 W CB 0.878 30.364 29.460 0.044 0.000 1.240 475 W HN 0.407 nan 8.180 nan 0.000 0.468 476 D N 0.954 121.509 120.400 0.259 0.000 2.414 476 D HA 0.561 5.205 4.640 0.006 0.000 0.241 476 D C -0.748 175.490 176.300 -0.104 0.000 1.008 476 D CA -0.575 53.461 54.000 0.061 0.000 1.001 476 D CB 2.245 43.075 40.800 0.049 0.000 1.277 476 D HN 0.170 nan 8.370 nan 0.000 0.538 477 T N -0.174 114.235 114.554 -0.241 0.000 4.307 477 T HA 0.311 4.664 4.350 0.006 0.000 0.339 477 T C -1.894 172.456 174.700 -0.584 0.000 0.801 477 T CA -0.537 61.280 62.100 -0.473 0.000 0.962 477 T CB -0.145 68.459 68.868 -0.439 0.000 1.110 477 T HN 0.036 nan 8.240 nan 0.000 0.466 478 V N 6.162 125.685 119.914 -0.652 0.000 2.417 478 V HA 0.641 4.765 4.120 0.006 0.000 0.291 478 V C -0.529 175.055 176.094 -0.850 0.000 1.024 478 V CA -0.758 61.159 62.300 -0.637 0.000 0.861 478 V CB 0.970 32.496 31.823 -0.495 0.000 0.985 478 V HN 0.793 nan 8.190 nan 0.000 0.436 479 F N 3.733 123.234 119.950 -0.747 0.000 2.410 479 F HA 0.525 5.056 4.527 0.006 0.000 0.349 479 F C 0.835 176.388 175.800 -0.411 0.000 1.117 479 F CA -0.383 57.062 58.000 -0.924 0.000 1.104 479 F CB 0.649 38.473 39.000 -1.961 0.000 1.122 479 F HN 0.475 nan 8.300 nan 0.000 0.483 480 H N 3.937 123.161 119.070 0.257 0.000 2.533 480 H HA 0.196 4.756 4.556 0.006 0.000 0.343 480 H C -1.695 173.993 175.328 0.600 0.000 1.160 480 H CA -1.854 54.403 56.048 0.349 0.000 1.218 480 H CB 1.801 31.692 29.762 0.215 0.000 1.566 480 H HN 0.323 nan 8.280 nan 0.000 0.522 481 P HA -0.122 nan 4.420 nan 0.000 0.236 481 P C 0.993 178.538 177.300 0.409 0.000 1.172 481 P CA 0.949 64.342 63.100 0.490 0.000 0.759 481 P CB 0.173 32.057 31.700 0.308 0.000 0.843 482 S N -2.069 113.807 115.700 0.294 0.000 2.517 482 S HA 0.343 4.816 4.470 0.006 0.000 0.214 482 S C 1.523 176.044 174.600 -0.132 0.000 0.991 482 S CA 0.497 58.764 58.200 0.111 0.000 0.906 482 S CB -0.801 62.458 63.200 0.099 0.000 0.789 482 S HN 0.269 nan 8.310 nan 0.000 0.513 483 G N 0.671 109.256 108.800 -0.359 0.000 2.140 483 G HA2 0.090 4.053 3.960 0.006 0.000 0.211 483 G HA3 0.090 4.053 3.960 0.006 0.000 0.211 483 G C -0.012 174.964 174.900 0.127 0.000 1.013 483 G CA -0.248 44.370 45.100 -0.804 0.000 0.705 483 G HN 1.256 nan 8.290 nan 0.000 0.508 484 A N 0.168 123.173 122.820 0.308 0.000 2.303 484 A HA 0.841 5.165 4.320 0.006 0.000 0.320 484 A C 0.067 177.847 177.584 0.327 0.000 1.192 484 A CA -0.624 51.586 52.037 0.289 0.000 0.821 484 A CB 0.855 19.915 19.000 0.101 0.000 1.188 484 A HN 0.748 nan 8.150 nan 0.000 0.492 485 I N 2.019 122.703 120.570 0.190 0.000 2.339 485 I HA 0.348 4.521 4.170 0.006 0.000 0.290 485 I C 0.207 176.213 176.117 -0.186 0.000 0.994 485 I CA -0.279 60.917 61.300 -0.174 0.000 1.191 485 I CB 1.598 39.389 38.000 -0.348 0.000 1.343 485 I HN 0.753 nan 8.210 nan 0.000 0.458 486 E N 6.935 126.934 120.200 -0.335 0.000 2.179 486 E HA 0.485 4.839 4.350 0.006 0.000 0.275 486 E C -1.351 174.840 176.600 -0.682 0.000 0.945 486 E CA -0.714 55.336 56.400 -0.584 0.000 0.792 486 E CB 1.717 31.084 29.700 -0.555 0.000 1.125 486 E HN 0.395 nan 8.360 nan 0.000 0.397 487 I N 4.731 124.768 120.570 -0.888 0.000 2.439 487 I HA 0.406 4.579 4.170 0.006 0.000 0.285 487 I C -0.124 175.462 176.117 -0.884 0.000 1.021 487 I CA -0.466 60.269 61.300 -0.942 0.000 1.091 487 I CB 1.175 38.312 38.000 -1.437 0.000 1.242 487 I HN 0.516 nan 8.210 nan 0.000 0.439 488 R N 5.612 125.820 120.500 -0.486 0.000 2.744 488 R HA 0.678 5.021 4.340 0.006 0.000 0.279 488 R C -1.384 174.889 176.300 -0.044 0.000 0.977 488 R CA -0.762 55.117 56.100 -0.368 0.000 0.906 488 R CB 3.365 33.440 30.300 -0.375 0.000 1.197 488 R HN 0.495 nan 8.270 nan 0.000 0.463 489 F N 1.073 120.887 119.950 -0.226 0.000 2.581 489 F HA 0.584 5.115 4.527 0.006 0.000 0.311 489 F C -1.926 173.716 175.800 -0.263 0.000 1.113 489 F CA -1.001 56.971 58.000 -0.046 0.000 0.935 489 F CB 1.036 40.220 39.000 0.307 0.000 1.232 489 F HN 0.334 nan 8.300 nan 0.000 0.445 490 Y N 2.410 122.544 120.300 -0.277 0.000 2.598 490 Y HA 0.843 5.396 4.550 0.006 0.000 0.340 490 Y C -0.264 175.544 175.900 -0.154 0.000 1.038 490 Y CA -1.647 56.244 58.100 -0.349 0.000 1.100 490 Y CB 1.883 40.189 38.460 -0.257 0.000 1.281 490 Y HN 0.952 nan 8.280 nan 0.000 0.488 491 A N 0.893 123.714 122.820 0.003 0.000 2.319 491 A HA 0.731 5.054 4.320 0.006 0.000 0.310 491 A C -0.221 177.272 177.584 -0.153 0.000 1.152 491 A CA -0.276 51.710 52.037 -0.085 0.000 0.783 491 A CB 1.423 20.250 19.000 -0.287 0.000 1.184 491 A HN 0.755 nan 8.150 nan 0.000 0.474 492 T N 0.919 115.345 114.554 -0.214 0.000 2.550 492 T HA 0.785 5.138 4.350 0.006 0.000 0.256 492 T C 0.853 175.407 174.700 -0.244 0.000 0.866 492 T CA 1.171 63.148 62.100 -0.204 0.000 1.163 492 T CB 0.468 69.219 68.868 -0.195 0.000 1.460 492 T HN 2.619 nan 8.240 nan 0.000 0.498 493 G N 0.161 108.808 108.800 -0.255 0.000 2.509 493 G HA2 -0.174 3.789 3.960 0.006 0.000 0.259 493 G HA3 -0.174 3.789 3.960 0.006 0.000 0.259 493 G C -0.922 173.754 174.900 -0.372 0.000 1.169 493 G CA 0.395 45.324 45.100 -0.284 0.000 0.953 493 G HN 0.843 nan 8.290 nan 0.000 0.563 494 Y N 0.824 120.913 120.300 -0.351 0.000 2.534 494 Y HA 0.677 5.230 4.550 0.006 0.000 0.329 494 Y C 1.507 177.152 175.900 -0.426 0.000 1.154 494 Y CA -0.345 57.521 58.100 -0.390 0.000 1.192 494 Y CB 1.049 39.190 38.460 -0.532 0.000 1.275 494 Y HN 0.715 nan 8.280 nan 0.000 0.491 495 I N -1.666 118.834 120.570 -0.117 0.000 3.932 495 I HA 0.607 4.780 4.170 0.006 0.000 0.256 495 I C -0.429 175.555 176.117 -0.222 0.000 1.408 495 I CA -0.888 60.341 61.300 -0.118 0.000 0.882 495 I CB 0.736 38.723 38.000 -0.021 0.000 1.657 495 I HN 0.277 nan 8.210 nan 0.000 0.733 496 S N 0.534 116.160 115.700 -0.123 0.000 2.605 496 S HA 0.499 4.973 4.470 0.006 0.000 0.308 496 S C -0.443 174.150 174.600 -0.013 0.000 1.113 496 S CA -0.668 57.453 58.200 -0.131 0.000 1.049 496 S CB 1.402 64.448 63.200 -0.258 0.000 1.001 496 S HN 0.813 nan 8.310 nan 0.000 0.480 497 S N 2.566 118.297 115.700 0.052 0.000 2.664 497 S HA 0.965 5.439 4.470 0.006 0.000 0.304 497 S C -0.224 174.555 174.600 0.299 0.000 1.099 497 S CA -0.653 57.623 58.200 0.127 0.000 1.003 497 S CB 1.756 65.007 63.200 0.086 0.000 1.092 497 S HN 0.897 nan 8.310 nan 0.000 0.525 498 A N 0.766 123.745 122.820 0.264 0.000 2.483 498 A HA 0.776 5.099 4.320 0.006 0.000 0.286 498 A C -1.158 176.533 177.584 0.179 0.000 1.207 498 A CA -0.926 51.293 52.037 0.303 0.000 0.764 498 A CB 0.630 19.722 19.000 0.152 0.000 1.341 498 A HN 0.985 nan 8.150 nan 0.000 0.428 499 F N 0.396 120.235 119.950 -0.185 0.000 2.427 499 F HA 0.517 5.048 4.527 0.006 0.000 0.352 499 F C -0.003 175.919 175.800 0.203 0.000 1.100 499 F CA -0.493 57.482 58.000 -0.041 0.000 1.191 499 F CB 0.684 39.541 39.000 -0.239 0.000 1.128 499 F HN 0.509 nan 8.300 nan 0.000 0.533 500 L N 7.954 128.776 121.223 -0.667 0.000 2.397 500 L HA 0.461 4.804 4.340 0.006 0.000 0.271 500 L C -0.971 175.654 176.870 -0.409 0.000 1.148 500 L CA 0.041 54.618 54.840 -0.438 0.000 0.825 500 L CB 0.415 42.289 42.059 -0.307 0.000 1.117 500 L HN 0.633 nan 8.230 nan 0.000 0.456 501 F N 2.331 122.097 119.950 -0.306 0.000 2.804 501 F HA 0.598 5.128 4.527 0.006 0.000 0.320 501 F C -0.101 175.675 175.800 -0.040 0.000 1.135 501 F CA -0.390 57.515 58.000 -0.157 0.000 0.947 501 F CB -0.129 38.815 39.000 -0.093 0.000 1.260 501 F HN 0.985 nan 8.300 nan 0.000 0.447 502 G N 0.767 109.566 108.800 -0.001 0.000 2.642 502 G HA2 0.340 4.303 3.960 0.006 0.000 0.231 502 G HA3 0.340 4.303 3.960 0.006 0.000 0.231 502 G C -0.222 174.629 174.900 -0.081 0.000 1.338 502 G CA 0.014 45.082 45.100 -0.054 0.000 0.883 502 G HN 2.337 nan 8.290 nan 0.000 0.570 503 A N 0.139 122.926 122.820 -0.056 0.000 2.544 503 A HA 0.599 4.923 4.320 0.006 0.000 0.301 503 A C 0.799 178.350 177.584 -0.054 0.000 1.368 503 A CA 1.190 53.204 52.037 -0.038 0.000 1.045 503 A CB -0.384 18.608 19.000 -0.013 0.000 1.129 503 A HN 1.369 nan 8.150 nan 0.000 0.540 504 T N 1.785 116.300 114.554 -0.065 0.000 2.749 504 T HA 0.539 4.893 4.350 0.006 0.000 0.295 504 T C 1.270 175.931 174.700 -0.064 0.000 0.936 504 T CA 0.822 62.884 62.100 -0.062 0.000 1.060 504 T CB 1.085 69.912 68.868 -0.068 0.000 0.904 504 T HN 1.216 nan 8.240 nan 0.000 0.500 505 G N 2.689 111.435 108.800 -0.091 0.000 3.990 505 G HA2 -0.048 3.915 3.960 0.006 0.000 0.213 505 G HA3 -0.048 3.915 3.960 0.006 0.000 0.213 505 G C 0.855 175.624 174.900 -0.217 0.000 0.849 505 G CA -0.401 44.627 45.100 -0.119 0.000 0.857 505 G HN 0.570 nan 8.290 nan 0.000 0.484 506 K N -0.434 119.733 120.400 -0.389 0.000 2.361 506 K HA 0.296 4.620 4.320 0.006 0.000 0.194 506 K C 0.714 176.701 176.600 -1.022 0.000 1.032 506 K CA 0.466 56.303 56.287 -0.750 0.000 1.048 506 K CB 0.304 32.182 32.500 -1.038 0.000 0.842 506 K HN 0.431 nan 8.250 nan 0.000 0.526 507 Y N -0.580 119.682 120.300 -0.064 0.000 2.527 507 Y HA 0.308 4.861 4.550 0.006 0.000 0.247 507 Y C 0.751 176.625 175.900 -0.043 0.000 1.138 507 Y CA -0.347 57.721 58.100 -0.053 0.000 1.228 507 Y CB 1.794 40.214 38.460 -0.067 0.000 1.252 507 Y HN 0.021 nan 8.280 nan 0.000 0.531 508 G N -0.108 108.701 108.800 0.015 0.000 2.356 508 G HA2 0.051 4.015 3.960 0.006 0.000 0.300 508 G HA3 0.051 4.015 3.960 0.006 0.000 0.300 508 G C -1.762 173.135 174.900 -0.006 0.000 1.331 508 G CA -1.184 43.922 45.100 0.009 0.000 0.905 508 G HN -0.077 nan 8.290 nan 0.000 0.587 509 N N 0.059 118.760 118.700 0.003 0.000 2.459 509 N HA 0.374 5.118 4.740 0.006 0.000 0.288 509 N C -0.500 175.010 175.510 0.001 0.000 1.186 509 N CA -0.563 52.489 53.050 0.004 0.000 0.917 509 N CB 1.941 40.445 38.487 0.029 0.000 1.219 509 N HN 0.667 nan 8.380 nan 0.000 0.525 510 Q N 1.186 120.982 119.800 -0.006 0.000 2.295 510 Q HA 0.192 4.535 4.340 0.006 0.000 0.259 510 Q C 0.660 176.659 176.000 -0.002 0.000 0.976 510 Q CA -0.309 55.486 55.803 -0.014 0.000 0.923 510 Q CB 0.765 29.488 28.738 -0.024 0.000 1.185 510 Q HN 0.599 nan 8.270 nan 0.000 0.410 511 V N -0.020 119.890 119.914 -0.007 0.000 3.643 511 V HA 0.406 4.529 4.120 0.006 0.000 0.280 511 V C 0.330 176.418 176.094 -0.011 0.000 1.351 511 V CA 0.209 62.506 62.300 -0.005 0.000 1.073 511 V CB 0.904 32.716 31.823 -0.018 0.000 0.863 511 V HN 0.498 nan 8.190 nan 0.000 0.436 512 S N -0.543 115.148 115.700 -0.015 0.000 2.645 512 S HA 0.271 4.745 4.470 0.006 0.000 0.268 512 S C -1.511 173.072 174.600 -0.028 0.000 1.110 512 S CA -0.618 57.577 58.200 -0.010 0.000 0.823 512 S CB 1.352 64.537 63.200 -0.025 0.000 1.091 512 S HN 0.376 nan 8.310 nan 0.000 0.466 513 E N 2.643 122.821 120.200 -0.037 0.000 2.868 513 E HA -0.021 4.332 4.350 0.006 0.000 0.246 513 E C 0.281 176.773 176.600 -0.180 0.000 0.962 513 E CA 1.099 57.359 56.400 -0.233 0.000 0.955 513 E CB -0.434 29.167 29.700 -0.165 0.000 0.903 513 E HN 0.733 nan 8.360 nan 0.000 0.524 514 H N -0.988 118.125 119.070 0.073 0.000 3.179 514 H HA -0.172 4.388 4.556 0.006 0.000 0.250 514 H C 0.106 175.392 175.328 -0.070 0.000 1.142 514 H CA 1.410 57.441 56.048 -0.029 0.000 1.165 514 H CB -2.314 27.615 29.762 0.278 0.000 1.253 514 H HN 0.472 nan 8.280 nan 0.000 0.325 515 T N -1.448 113.134 114.554 0.047 0.000 2.848 515 T HA 0.656 5.010 4.350 0.006 0.000 0.285 515 T C 0.140 174.843 174.700 0.004 0.000 0.995 515 T CA -0.992 61.141 62.100 0.055 0.000 0.970 515 T CB 2.988 71.902 68.868 0.077 0.000 0.976 515 T HN 0.225 nan 8.240 nan 0.000 0.441 516 L N 2.194 123.425 121.223 0.015 0.000 2.344 516 L HA 0.823 5.166 4.340 0.006 0.000 0.272 516 L C 0.476 177.364 176.870 0.031 0.000 1.035 516 L CA -0.466 54.378 54.840 0.006 0.000 0.807 516 L CB 1.370 43.424 42.059 -0.008 0.000 1.237 516 L HN 0.970 nan 8.230 nan 0.000 0.442 517 G N 1.318 110.129 108.800 0.020 0.000 2.696 517 G HA2 0.324 4.288 3.960 0.006 0.000 0.329 517 G HA3 0.324 4.288 3.960 0.006 0.000 0.329 517 G C -0.007 174.921 174.900 0.047 0.000 0.973 517 G CA 0.001 45.111 45.100 0.016 0.000 1.257 517 G HN 0.721 nan 8.290 nan 0.000 0.456 518 T N -0.045 114.576 114.554 0.111 0.000 2.831 518 T HA 0.105 4.458 4.350 0.006 0.000 0.291 518 T C 0.723 175.558 174.700 0.225 0.000 0.981 518 T CA -0.449 61.766 62.100 0.192 0.000 1.174 518 T CB 1.280 70.305 68.868 0.261 0.000 0.929 518 T HN 0.693 nan 8.240 nan 0.000 0.532 519 V N 6.803 126.791 119.914 0.123 0.000 2.673 519 V HA 0.335 4.458 4.120 0.006 0.000 0.303 519 V C 0.144 176.216 176.094 -0.037 0.000 1.046 519 V CA 0.199 62.488 62.300 -0.018 0.000 1.126 519 V CB -0.550 31.262 31.823 -0.018 0.000 0.934 519 V HN 1.223 nan 8.190 nan 0.000 0.487 520 H N 2.840 121.728 119.070 -0.303 0.000 2.981 520 H HA 0.606 5.165 4.556 0.006 0.000 0.327 520 H C -1.049 173.995 175.328 -0.473 0.000 1.342 520 H CA -0.272 55.429 56.048 -0.578 0.000 1.123 520 H CB 1.619 30.560 29.762 -1.369 0.000 1.851 520 H HN 0.672 nan 8.280 nan 0.000 0.531 521 T N -0.631 113.674 114.554 -0.415 0.000 2.861 521 T HA 0.380 4.733 4.350 0.006 0.000 0.287 521 T C -0.823 173.639 174.700 -0.397 0.000 1.003 521 T CA -0.832 61.056 62.100 -0.354 0.000 0.977 521 T CB 1.900 70.637 68.868 -0.217 0.000 0.996 521 T HN 0.629 nan 8.240 nan 0.000 0.448 522 H N 1.354 120.254 119.070 -0.283 0.000 2.469 522 H HA 0.727 5.287 4.556 0.006 0.000 0.342 522 H C -0.502 174.779 175.328 -0.079 0.000 1.115 522 H CA -0.634 55.298 56.048 -0.193 0.000 1.204 522 H CB 2.026 31.556 29.762 -0.387 0.000 1.492 522 H HN 0.743 nan 8.280 nan 0.000 0.499 523 S N 1.030 116.872 115.700 0.236 0.000 2.541 523 S HA 0.725 5.198 4.470 0.006 0.000 0.271 523 S C -0.973 173.845 174.600 0.364 0.000 1.133 523 S CA -0.799 57.606 58.200 0.342 0.000 0.876 523 S CB 2.447 65.790 63.200 0.239 0.000 1.105 523 S HN 0.806 nan 8.310 nan 0.000 0.470 524 A N 1.772 124.783 122.820 0.320 0.000 2.427 524 A HA 0.684 5.008 4.320 0.006 0.000 0.298 524 A C -1.331 176.071 177.584 -0.304 0.000 1.036 524 A CA -0.517 51.375 52.037 -0.242 0.000 0.701 524 A CB 1.024 19.533 19.000 -0.818 0.000 1.250 524 A HN 0.901 nan 8.150 nan 0.000 0.412 525 H N 1.871 120.305 119.070 -1.061 0.000 2.467 525 H HA 0.636 5.196 4.556 0.006 0.000 0.326 525 H C -1.587 173.306 175.328 -0.725 0.000 1.094 525 H CA -0.308 55.220 56.048 -0.867 0.000 1.253 525 H CB 0.667 29.436 29.762 -1.655 0.000 1.439 525 H HN 0.498 nan 8.280 nan 0.000 0.479 526 F N 3.014 122.712 119.950 -0.419 0.000 2.520 526 F HA 0.244 4.774 4.527 0.006 0.000 0.322 526 F C 0.253 175.753 175.800 -0.500 0.000 1.103 526 F CA -0.991 56.801 58.000 -0.347 0.000 0.926 526 F CB 1.509 40.494 39.000 -0.024 0.000 1.154 526 F HN 0.350 nan 8.300 nan 0.000 0.453 527 K N 3.205 123.401 120.400 -0.340 0.000 2.250 527 K HA 0.507 4.831 4.320 0.006 0.000 0.280 527 K C -1.421 174.889 176.600 -0.484 0.000 1.098 527 K CA -0.214 55.662 56.287 -0.686 0.000 0.916 527 K CB 0.500 32.622 32.500 -0.631 0.000 1.209 527 K HN 0.569 nan 8.250 nan 0.000 0.461 528 V N 4.426 124.034 119.914 -0.510 0.000 2.304 528 V HA 0.064 4.187 4.120 0.006 0.000 0.269 528 V C -0.347 175.542 176.094 -0.342 0.000 1.036 528 V CA -0.723 61.361 62.300 -0.361 0.000 0.840 528 V CB 0.745 32.338 31.823 -0.383 0.000 1.036 528 V HN 0.711 nan 8.190 nan 0.000 0.466 529 D N 5.348 125.597 120.400 -0.252 0.000 2.499 529 D HA 0.373 5.016 4.640 0.006 0.000 0.225 529 D C 0.038 176.303 176.300 -0.057 0.000 1.124 529 D CA -0.199 53.716 54.000 -0.141 0.000 0.938 529 D CB 0.379 41.154 40.800 -0.043 0.000 1.014 529 D HN 0.398 nan 8.370 nan 0.000 0.517 530 L N 1.782 122.960 121.223 -0.075 0.000 2.475 530 L HA 0.381 4.724 4.340 0.006 0.000 0.253 530 L C 0.253 177.134 176.870 0.019 0.000 1.198 530 L CA -0.245 54.568 54.840 -0.044 0.000 0.814 530 L CB 0.703 42.725 42.059 -0.061 0.000 1.134 530 L HN 0.330 nan 8.230 nan 0.000 0.478 531 D N 0.760 121.188 120.400 0.046 0.000 2.714 531 D HA 0.119 4.762 4.640 0.006 0.000 0.264 531 D C -0.763 175.616 176.300 0.133 0.000 1.231 531 D CA -0.173 53.878 54.000 0.085 0.000 0.802 531 D CB 1.415 42.275 40.800 0.101 0.000 1.319 531 D HN 0.032 nan 8.370 nan 0.000 0.528 532 V N 1.457 121.476 119.914 0.175 0.000 2.450 532 V HA 0.092 4.216 4.120 0.006 0.000 0.264 532 V C 1.354 177.628 176.094 0.301 0.000 0.996 532 V CA 0.403 62.891 62.300 0.314 0.000 1.138 532 V CB -0.594 31.461 31.823 0.387 0.000 1.051 532 V HN 0.697 nan 8.190 nan 0.000 0.470 533 A N 3.761 126.764 122.820 0.305 0.000 2.560 533 A HA 0.144 4.467 4.320 0.006 0.000 0.299 533 A C 1.091 178.759 177.584 0.140 0.000 1.484 533 A CA 1.133 53.275 52.037 0.175 0.000 0.749 533 A CB -1.415 17.610 19.000 0.041 0.000 1.072 533 A HN 2.632 nan 8.150 nan 0.000 0.426 534 G N -2.804 106.079 108.800 0.138 0.000 2.357 534 G HA2 0.274 4.238 3.960 0.006 0.000 0.643 534 G HA3 0.274 4.238 3.960 0.006 0.000 0.643 534 G C 0.158 175.115 174.900 0.094 0.000 1.358 534 G CA -0.328 44.840 45.100 0.113 0.000 0.986 534 G HN 1.077 nan 8.290 nan 0.000 0.620 535 L N 0.053 121.307 121.223 0.051 0.000 2.179 535 L HA 0.157 4.501 4.340 0.006 0.000 0.208 535 L C 1.155 177.999 176.870 -0.043 0.000 1.096 535 L CA 0.745 55.587 54.840 0.004 0.000 0.779 535 L CB -0.379 41.665 42.059 -0.024 0.000 0.922 535 L HN 0.562 nan 8.230 nan 0.000 0.443 536 E N 2.352 122.523 120.200 -0.048 0.000 2.220 536 E HA 0.180 4.533 4.350 0.006 0.000 0.272 536 E C -0.975 175.509 176.600 -0.194 0.000 1.099 536 E CA 0.197 56.462 56.400 -0.225 0.000 0.907 536 E CB -0.041 29.552 29.700 -0.179 0.000 1.022 536 E HN 0.379 nan 8.360 nan 0.000 0.428 537 N N 2.395 120.897 118.700 -0.330 0.000 2.262 537 N HA 0.458 5.202 4.740 0.006 0.000 0.295 537 N C -0.804 174.555 175.510 -0.251 0.000 1.161 537 N CA -0.777 52.240 53.050 -0.055 0.000 0.767 537 N CB 1.913 40.430 38.487 0.051 0.000 1.499 537 N HN 0.382 nan 8.380 nan 0.000 0.476 538 W N 0.516 121.841 121.300 0.040 0.000 2.850 538 W HA 0.606 5.269 4.660 0.005 0.000 0.349 538 W C -0.983 175.408 176.519 -0.215 0.000 1.133 538 W CA -0.623 56.641 57.345 -0.136 0.000 1.117 538 W CB 1.531 30.850 29.460 -0.236 0.000 1.442 538 W HN 0.071 nan 8.180 nan 0.000 0.575 539 V N 1.116 120.931 119.914 -0.165 0.000 2.378 539 V HA 0.301 4.425 4.120 0.006 0.000 0.288 539 V C -1.103 174.690 176.094 -0.502 0.000 1.016 539 V CA -0.579 61.578 62.300 -0.238 0.000 0.840 539 V CB 0.810 32.558 31.823 -0.125 0.000 0.994 539 V HN 0.396 nan 8.190 nan 0.000 0.431 540 W N 2.579 123.648 121.300 -0.386 0.000 2.606 540 W HA 0.774 5.437 4.660 0.006 0.000 0.332 540 W C -0.004 176.244 176.519 -0.452 0.000 1.052 540 W CA -0.695 56.364 57.345 -0.478 0.000 1.223 540 W CB 2.033 31.012 29.460 -0.801 0.000 1.383 540 W HN 0.609 nan 8.180 nan 0.000 0.524 541 A N 2.648 125.515 122.820 0.078 0.000 2.409 541 A HA 0.547 4.871 4.320 0.006 0.000 0.300 541 A C -0.798 176.870 177.584 0.140 0.000 1.273 541 A CA -0.690 51.393 52.037 0.075 0.000 0.774 541 A CB 0.443 19.502 19.000 0.097 0.000 1.144 541 A HN 0.655 nan 8.150 nan 0.000 0.472 542 E N 1.414 121.711 120.200 0.162 0.000 2.202 542 E HA 0.607 4.960 4.350 0.006 0.000 0.272 542 E C -1.432 175.234 176.600 0.109 0.000 0.951 542 E CA -0.752 55.735 56.400 0.145 0.000 0.813 542 E CB 2.138 31.938 29.700 0.166 0.000 1.151 542 E HN 0.580 nan 8.360 nan 0.000 0.398 543 D N 1.301 121.731 120.400 0.050 0.000 2.720 543 D HA 0.122 4.765 4.640 0.006 0.000 0.239 543 D C -0.677 175.605 176.300 -0.029 0.000 1.218 543 D CA -0.561 53.454 54.000 0.025 0.000 0.748 543 D CB 1.291 42.109 40.800 0.030 0.000 1.387 543 D HN 0.478 nan 8.370 nan 0.000 0.438 544 M N 0.377 119.936 119.600 -0.068 0.000 2.043 544 M HA 0.655 5.138 4.480 0.006 0.000 0.272 544 M C -0.334 175.876 176.300 -0.150 0.000 1.279 544 M CA -0.372 54.842 55.300 -0.143 0.000 1.109 544 M CB 0.717 33.187 32.600 -0.216 0.000 1.377 544 M HN 0.149 nan 8.290 nan 0.000 0.469 545 V N 0.343 120.110 119.914 -0.246 0.000 2.946 545 V HA 0.354 4.477 4.120 0.006 0.000 0.258 545 V C -2.199 173.749 176.094 -0.244 0.000 1.726 545 V CA -0.682 61.504 62.300 -0.190 0.000 0.940 545 V CB 1.963 33.749 31.823 -0.062 0.000 1.309 545 V HN 0.841 nan 8.190 nan 0.000 0.458 546 F N 5.206 125.159 119.950 0.005 0.000 2.385 546 F HA 0.657 5.188 4.527 0.006 0.000 0.360 546 F C 0.232 176.032 175.800 -0.001 0.000 1.122 546 F CA -0.770 57.230 58.000 0.001 0.000 1.090 546 F CB 1.908 40.908 39.000 0.000 0.000 1.150 546 F HN 0.325 nan 8.300 nan 0.000 0.472 547 V N 5.986 126.016 119.914 0.193 0.000 2.334 547 V HA 0.305 4.429 4.120 0.006 0.000 0.281 547 V C -2.142 174.000 176.094 0.079 0.000 1.016 547 V CA -2.008 60.353 62.300 0.102 0.000 0.832 547 V CB 1.070 32.929 31.823 0.060 0.000 0.999 547 V HN 0.475 nan 8.190 nan 0.000 0.439 548 P HA 0.434 nan 4.420 nan 0.000 0.280 548 P C -0.901 176.398 177.300 -0.002 0.000 1.244 548 P CA -0.272 62.837 63.100 0.014 0.000 0.784 548 P CB 1.228 32.929 31.700 0.002 0.000 0.913 549 M N 0.691 120.278 119.600 -0.022 0.000 2.426 549 M HA 0.647 5.130 4.480 0.006 0.000 0.289 549 M C -1.169 175.089 176.300 -0.071 0.000 1.168 549 M CA -1.120 54.157 55.300 -0.037 0.000 0.933 549 M CB 1.976 34.559 32.600 -0.030 0.000 1.750 549 M HN 0.200 nan 8.290 nan 0.000 0.494 550 A N 2.119 124.892 122.820 -0.079 0.000 2.531 550 A HA 0.460 4.783 4.320 0.006 0.000 0.236 550 A C 0.270 177.739 177.584 -0.192 0.000 1.062 550 A CA -0.366 51.603 52.037 -0.112 0.000 0.760 550 A CB 0.098 19.042 19.000 -0.094 0.000 0.995 550 A HN 0.760 nan 8.150 nan 0.000 0.501 551 V N 5.881 125.630 119.914 -0.276 0.000 2.452 551 V HA -0.027 4.096 4.120 0.006 0.000 0.286 551 V C -1.143 174.587 176.094 -0.606 0.000 0.995 551 V CA -0.113 61.842 62.300 -0.574 0.000 1.116 551 V CB 0.176 31.587 31.823 -0.686 0.000 0.954 551 V HN 0.870 nan 8.190 nan 0.000 0.473 552 P HA -0.214 nan 4.420 nan 0.000 0.219 552 P C 1.265 178.504 177.300 -0.102 0.000 1.159 552 P CA 2.350 65.318 63.100 -0.219 0.000 0.944 552 P CB -0.081 31.610 31.700 -0.015 0.000 0.792 553 W N -2.044 119.269 121.300 0.022 0.000 3.077 553 W HA 0.370 5.034 4.660 0.006 0.000 0.245 553 W C 0.283 176.825 176.519 0.038 0.000 1.316 553 W CA 0.451 57.810 57.345 0.024 0.000 1.537 553 W CB -0.599 28.871 29.460 0.018 0.000 1.131 553 W HN -0.095 nan 8.180 nan 0.000 0.695 554 S N 0.293 115.890 115.700 -0.172 0.000 2.787 554 S HA 0.228 4.701 4.470 0.006 0.000 0.140 554 S C -1.807 172.739 174.600 -0.089 0.000 1.240 554 S CA -0.748 57.434 58.200 -0.029 0.000 1.163 554 S CB -0.037 63.232 63.200 0.115 0.000 1.652 554 S HN -0.241 nan 8.310 nan 0.000 0.443 555 P HA -0.222 nan 4.420 nan 0.000 0.218 555 P C 1.362 178.598 177.300 -0.105 0.000 1.150 555 P CA 1.591 64.633 63.100 -0.097 0.000 0.841 555 P CB 0.011 31.671 31.700 -0.066 0.000 0.784 556 E N -2.033 118.086 120.200 -0.134 0.000 2.209 556 E HA -0.189 4.164 4.350 0.006 0.000 0.196 556 E C 0.515 176.931 176.600 -0.306 0.000 0.993 556 E CA 0.948 57.211 56.400 -0.227 0.000 0.819 556 E CB -0.622 28.897 29.700 -0.301 0.000 0.745 556 E HN 0.361 nan 8.360 nan 0.000 0.477 557 H N 0.584 119.602 119.070 -0.086 0.000 2.467 557 H HA 0.277 4.836 4.556 0.006 0.000 0.331 557 H C -0.387 174.869 175.328 -0.120 0.000 1.120 557 H CA -0.682 55.310 56.048 -0.094 0.000 1.270 557 H CB 1.541 31.246 29.762 -0.096 0.000 1.466 557 H HN 0.050 nan 8.280 nan 0.000 0.504 558 Q N 1.495 121.322 119.800 0.045 0.000 2.221 558 Q HA 0.423 4.767 4.340 0.006 0.000 0.242 558 Q C -1.385 174.584 176.000 -0.052 0.000 0.940 558 Q CA -0.746 55.043 55.803 -0.024 0.000 0.896 558 Q CB 1.023 29.749 28.738 -0.021 0.000 1.226 558 Q HN 0.488 nan 8.270 nan 0.000 0.463 559 L N 1.910 123.090 121.223 -0.071 0.000 2.445 559 L HA 0.437 4.781 4.340 0.006 0.000 0.262 559 L C -1.682 175.158 176.870 -0.050 0.000 0.974 559 L CA -0.332 54.462 54.840 -0.076 0.000 0.822 559 L CB 2.301 44.291 42.059 -0.114 0.000 1.339 559 L HN 0.526 nan 8.230 nan 0.000 0.409 560 Q N 3.563 123.330 119.800 -0.055 0.000 2.509 560 Q HA 0.339 4.683 4.340 0.006 0.000 0.230 560 Q C -0.653 175.415 176.000 0.114 0.000 1.089 560 Q CA -0.491 55.294 55.803 -0.032 0.000 0.901 560 Q CB 0.924 29.504 28.738 -0.264 0.000 1.208 560 Q HN 0.385 nan 8.270 nan 0.000 0.529 561 R N 2.354 122.932 120.500 0.130 0.000 2.309 561 R HA 0.158 4.502 4.340 0.006 0.000 0.331 561 R C -0.667 175.747 176.300 0.190 0.000 1.116 561 R CA -0.317 55.864 56.100 0.136 0.000 0.970 561 R CB -0.437 29.902 30.300 0.066 0.000 1.024 561 R HN 0.441 nan 8.270 nan 0.000 0.472 562 L N 4.158 125.507 121.223 0.210 0.000 2.462 562 L HA 0.149 4.492 4.340 0.006 0.000 0.272 562 L C -0.495 176.359 176.870 -0.026 0.000 1.166 562 L CA 1.136 56.004 54.840 0.047 0.000 0.880 562 L CB 0.410 42.496 42.059 0.044 0.000 1.142 562 L HN 0.707 nan 8.230 nan 0.000 0.473 563 Q N 3.872 123.619 119.800 -0.088 0.000 2.501 563 Q HA 0.627 4.970 4.340 0.006 0.000 0.288 563 Q C -1.352 174.593 176.000 -0.092 0.000 1.051 563 Q CA -1.039 54.725 55.803 -0.064 0.000 0.788 563 Q CB 2.503 31.225 28.738 -0.028 0.000 1.469 563 Q HN 0.549 nan 8.270 nan 0.000 0.416 564 V N -1.677 118.196 119.914 -0.070 0.000 2.547 564 V HA 0.795 4.919 4.120 0.006 0.000 0.299 564 V C -0.235 175.842 176.094 -0.029 0.000 1.040 564 V CA -0.433 61.827 62.300 -0.068 0.000 0.913 564 V CB 1.448 33.219 31.823 -0.087 0.000 0.992 564 V HN 0.885 nan 8.190 nan 0.000 0.449 565 T N 2.181 116.730 114.554 -0.009 0.000 2.771 565 T HA 0.607 4.960 4.350 0.006 0.000 0.281 565 T C -0.273 174.463 174.700 0.060 0.000 0.982 565 T CA -0.626 61.489 62.100 0.025 0.000 0.978 565 T CB 1.247 70.132 68.868 0.028 0.000 0.930 565 T HN 0.956 nan 8.240 nan 0.000 0.447 566 R N 2.403 122.954 120.500 0.086 0.000 2.402 566 R HA 0.353 4.696 4.340 0.006 0.000 0.290 566 R C -0.417 176.032 176.300 0.248 0.000 1.321 566 R CA -0.584 55.608 56.100 0.152 0.000 1.283 566 R CB 0.443 30.787 30.300 0.074 0.000 1.111 566 R HN 0.735 nan 8.270 nan 0.000 0.578 567 K N 3.812 124.357 120.400 0.242 0.000 2.159 567 K HA 0.270 4.594 4.320 0.006 0.000 0.266 567 K C -1.204 175.502 176.600 0.177 0.000 0.975 567 K CA -0.783 55.623 56.287 0.198 0.000 0.865 567 K CB 1.120 33.687 32.500 0.111 0.000 1.087 567 K HN 0.269 nan 8.250 nan 0.000 0.446 568 L N 5.596 126.827 121.223 0.013 0.000 2.289 568 L HA 0.357 4.700 4.340 0.006 0.000 0.285 568 L C -1.196 175.546 176.870 -0.214 0.000 1.049 568 L CA -0.333 54.295 54.840 -0.353 0.000 0.804 568 L CB 1.048 42.714 42.059 -0.656 0.000 1.195 568 L HN 0.615 nan 8.230 nan 0.000 0.428 569 L N 5.733 126.818 121.223 -0.230 0.000 2.260 569 L HA 0.344 4.687 4.340 0.006 0.000 0.289 569 L C 0.696 177.492 176.870 -0.123 0.000 1.057 569 L CA -0.035 54.728 54.840 -0.130 0.000 0.811 569 L CB 0.809 42.815 42.059 -0.089 0.000 1.184 569 L HN 0.736 nan 8.230 nan 0.000 0.429 570 E N 2.058 122.207 120.200 -0.086 0.000 2.340 570 E HA 0.165 4.519 4.350 0.006 0.000 0.198 570 E C -0.021 176.542 176.600 -0.061 0.000 0.961 570 E CA 0.240 56.605 56.400 -0.058 0.000 0.905 570 E CB 0.525 30.203 29.700 -0.037 0.000 0.884 570 E HN 0.470 nan 8.360 nan 0.000 0.491 571 M N 0.420 119.977 119.600 -0.071 0.000 2.598 571 M HA 0.233 4.716 4.480 0.006 0.000 0.317 571 M C 0.873 177.119 176.300 -0.091 0.000 1.201 571 M CA -0.203 55.053 55.300 -0.075 0.000 0.971 571 M CB 1.067 33.624 32.600 -0.072 0.000 1.657 571 M HN -0.088 nan 8.290 nan 0.000 0.470 572 E N 0.658 120.805 120.200 -0.089 0.000 2.110 572 E HA -0.194 4.159 4.350 0.006 0.000 0.193 572 E C 1.143 177.655 176.600 -0.147 0.000 0.988 572 E CA 1.166 57.507 56.400 -0.098 0.000 0.804 572 E CB 0.288 29.935 29.700 -0.088 0.000 0.745 572 E HN 0.534 nan 8.360 nan 0.000 0.458 573 E N 0.978 121.092 120.200 -0.144 0.000 2.110 573 E HA -0.214 4.139 4.350 0.006 0.000 0.193 573 E C 1.989 178.452 176.600 -0.228 0.000 0.988 573 E CA 0.950 57.245 56.400 -0.174 0.000 0.804 573 E CB -0.249 29.376 29.700 -0.125 0.000 0.745 573 E HN 0.419 nan 8.360 nan 0.000 0.458 574 Q N 0.082 119.766 119.800 -0.193 0.000 2.119 574 Q HA -0.022 4.321 4.340 0.006 0.000 0.201 574 Q C 1.947 177.744 176.000 -0.339 0.000 0.972 574 Q CA 1.396 57.066 55.803 -0.221 0.000 0.847 574 Q CB -0.039 28.621 28.738 -0.130 0.000 0.903 574 Q HN 0.256 nan 8.270 nan 0.000 0.433 575 A N 0.217 122.891 122.820 -0.244 0.000 2.178 575 A HA 0.322 4.646 4.320 0.006 0.000 0.211 575 A C 0.851 178.297 177.584 -0.229 0.000 1.157 575 A CA 0.346 52.284 52.037 -0.166 0.000 0.780 575 A CB 0.147 19.127 19.000 -0.033 0.000 0.828 575 A HN 0.250 nan 8.150 nan 0.000 0.476 576 A N -0.097 122.500 122.820 -0.372 0.000 2.309 576 A HA 0.615 4.938 4.320 0.006 0.000 0.290 576 A C -0.952 176.341 177.584 -0.485 0.000 1.206 576 A CA -0.215 51.591 52.037 -0.384 0.000 0.850 576 A CB -0.391 18.293 19.000 -0.527 0.000 1.118 576 A HN 0.234 nan 8.150 nan 0.000 0.523 577 F N 2.980 122.906 119.950 -0.040 0.000 2.375 577 F HA 0.359 4.890 4.527 0.006 0.000 0.361 577 F C 0.307 176.229 175.800 0.204 0.000 1.117 577 F CA -0.397 57.645 58.000 0.070 0.000 1.037 577 F CB 1.321 40.366 39.000 0.076 0.000 1.192 577 F HN 0.419 nan 8.300 nan 0.000 0.452 578 L N 3.773 125.218 121.223 0.371 0.000 2.485 578 L HA 0.110 4.453 4.340 0.006 0.000 0.275 578 L C 0.350 177.399 176.870 0.298 0.000 1.207 578 L CA -0.358 54.719 54.840 0.395 0.000 0.855 578 L CB 0.267 42.482 42.059 0.260 0.000 1.114 578 L HN 0.267 nan 8.230 nan 0.000 0.485 579 V N 2.513 122.572 119.914 0.242 0.000 3.032 579 V HA 0.027 4.150 4.120 0.006 0.000 0.307 579 V C 1.326 177.502 176.094 0.136 0.000 1.097 579 V CA 1.387 63.794 62.300 0.178 0.000 1.191 579 V CB 0.773 32.672 31.823 0.127 0.000 0.964 579 V HN 1.117 nan 8.190 nan 0.000 0.494 580 G N 3.166 112.035 108.800 0.115 0.000 2.166 580 G HA2 -0.236 3.728 3.960 0.006 0.000 0.260 580 G HA3 -0.236 3.728 3.960 0.006 0.000 0.260 580 G C 0.228 175.183 174.900 0.092 0.000 0.986 580 G CA 0.485 45.639 45.100 0.090 0.000 0.683 580 G HN 1.517 nan 8.290 nan 0.000 0.527 581 S N -0.822 114.950 115.700 0.120 0.000 2.536 581 S HA 0.863 5.336 4.470 0.006 0.000 0.298 581 S C 0.261 174.924 174.600 0.106 0.000 1.083 581 S CA 0.311 58.589 58.200 0.129 0.000 0.995 581 S CB 2.279 65.591 63.200 0.187 0.000 1.058 581 S HN 1.879 nan 8.310 nan 0.000 0.488 582 A N 2.471 125.339 122.820 0.080 0.000 2.498 582 A HA 0.551 4.874 4.320 0.006 0.000 0.239 582 A C 0.807 178.374 177.584 -0.028 0.000 1.068 582 A CA 0.196 52.247 52.037 0.024 0.000 0.766 582 A CB -0.585 18.434 19.000 0.032 0.000 1.003 582 A HN 1.442 nan 8.150 nan 0.000 0.497 583 T N 0.400 114.850 114.554 -0.174 0.000 2.907 583 T HA 0.746 5.099 4.350 0.006 0.000 0.292 583 T C -2.898 171.628 174.700 -0.290 0.000 1.043 583 T CA -1.831 59.987 62.100 -0.471 0.000 1.003 583 T CB 1.588 70.048 68.868 -0.680 0.000 1.084 583 T HN 0.535 nan 8.240 nan 0.000 0.483 584 P HA 0.173 nan 4.420 nan 0.000 0.266 584 P C 0.806 178.051 177.300 -0.092 0.000 1.215 584 P CA -0.315 62.720 63.100 -0.108 0.000 0.763 584 P CB 0.943 32.617 31.700 -0.044 0.000 0.806 585 R N 2.438 122.922 120.500 -0.027 0.000 2.122 585 R HA -0.181 4.162 4.340 0.006 0.000 0.236 585 R C 0.400 176.683 176.300 -0.029 0.000 1.129 585 R CA 1.705 57.798 56.100 -0.012 0.000 0.925 585 R CB -0.636 29.712 30.300 0.081 0.000 0.850 585 R HN 0.492 nan 8.270 nan 0.000 0.431 586 Y N 1.021 121.284 120.300 -0.061 0.000 2.650 586 Y HA 0.191 4.744 4.550 0.006 0.000 0.343 586 Y C -0.323 175.585 175.900 0.014 0.000 1.078 586 Y CA -0.550 57.515 58.100 -0.059 0.000 1.356 586 Y CB 0.584 38.981 38.460 -0.105 0.000 1.204 586 Y HN 0.038 nan 8.280 nan 0.000 0.508 587 L N 6.829 128.077 121.223 0.040 0.000 2.341 587 L HA 0.618 4.962 4.340 0.006 0.000 0.278 587 L C -1.281 175.659 176.870 0.117 0.000 1.005 587 L CA -1.408 53.445 54.840 0.022 0.000 0.818 587 L CB 0.402 42.421 42.059 -0.066 0.000 1.259 587 L HN 0.449 nan 8.230 nan 0.000 0.418 588 Y N 3.038 123.367 120.300 0.049 0.000 2.677 588 Y HA 0.656 5.210 4.550 0.006 0.000 0.334 588 Y C -1.985 174.037 175.900 0.204 0.000 1.196 588 Y CA -1.593 56.562 58.100 0.091 0.000 1.059 588 Y CB 0.967 39.453 38.460 0.043 0.000 1.315 588 Y HN 0.404 nan 8.280 nan 0.000 0.455 589 L N 2.621 124.076 121.223 0.387 0.000 2.309 589 L HA 0.913 5.256 4.340 0.006 0.000 0.282 589 L C -0.136 177.079 176.870 0.575 0.000 1.036 589 L CA -0.950 54.092 54.840 0.337 0.000 0.806 589 L CB 1.467 43.656 42.059 0.215 0.000 1.220 589 L HN 0.986 nan 8.230 nan 0.000 0.429 590 A N 2.318 125.508 122.820 0.617 0.000 2.430 590 A HA 0.709 5.033 4.320 0.006 0.000 0.300 590 A C -0.422 177.538 177.584 0.626 0.000 1.124 590 A CA -0.403 52.053 52.037 0.700 0.000 0.766 590 A CB 2.071 21.628 19.000 0.928 0.000 1.328 590 A HN 0.608 nan 8.150 nan 0.000 0.424 591 S N -0.843 115.177 115.700 0.533 0.000 2.671 591 S HA 0.207 4.681 4.470 0.006 0.000 0.272 591 S C 1.080 176.018 174.600 0.563 0.000 1.174 591 S CA -0.139 58.371 58.200 0.517 0.000 1.004 591 S CB 0.735 64.154 63.200 0.365 0.000 1.077 591 S HN 0.741 nan 8.310 nan 0.000 0.553 592 N N 0.308 119.325 118.700 0.529 0.000 2.220 592 N HA 0.009 4.752 4.740 0.006 0.000 0.182 592 N C 0.042 175.522 175.510 -0.050 0.000 1.023 592 N CA 0.834 53.968 53.050 0.140 0.000 0.856 592 N CB -0.592 37.977 38.487 0.136 0.000 0.997 592 N HN 0.638 nan 8.380 nan 0.000 0.429 593 H N 0.298 119.436 119.070 0.112 0.000 2.815 593 H HA 0.128 4.688 4.556 0.006 0.000 0.350 593 H C 0.125 175.452 175.328 -0.002 0.000 1.080 593 H CA 0.312 56.378 56.048 0.031 0.000 1.433 593 H CB 0.632 30.404 29.762 0.016 0.000 1.432 593 H HN 0.106 nan 8.280 nan 0.000 0.592 594 S N 2.348 118.083 115.700 0.058 0.000 2.722 594 S HA 0.151 4.624 4.470 0.006 0.000 0.292 594 S C 0.657 175.228 174.600 -0.047 0.000 1.135 594 S CA -1.131 57.065 58.200 -0.006 0.000 1.003 594 S CB 1.153 64.320 63.200 -0.054 0.000 1.067 594 S HN 0.730 nan 8.310 nan 0.000 0.546 595 N N 0.709 119.371 118.700 -0.064 0.000 2.448 595 N HA 0.178 4.921 4.740 0.006 0.000 0.274 595 N C 0.510 175.884 175.510 -0.228 0.000 1.239 595 N CA -0.849 52.133 53.050 -0.113 0.000 0.982 595 N CB 0.189 38.651 38.487 -0.042 0.000 1.199 595 N HN 0.651 nan 8.380 nan 0.000 0.576 596 K N -0.763 119.388 120.400 -0.414 0.000 2.444 596 K HA -0.128 4.195 4.320 0.006 0.000 0.200 596 K C -0.074 175.922 176.600 -1.006 0.000 1.045 596 K CA 1.336 57.162 56.287 -0.769 0.000 0.934 596 K CB -0.178 31.711 32.500 -1.018 0.000 0.756 596 K HN 0.676 nan 8.250 nan 0.000 0.477 597 W N -0.198 121.072 121.300 -0.050 0.000 2.966 597 W HA 0.335 4.998 4.660 0.005 0.000 0.406 597 W C 0.856 177.237 176.519 -0.230 0.000 1.027 597 W CA -0.185 57.113 57.345 -0.079 0.000 1.930 597 W CB 0.552 30.018 29.460 0.009 0.000 1.144 597 W HN 0.164 nan 8.180 nan 0.000 0.626 598 G N 1.078 109.789 108.800 -0.150 0.000 2.179 598 G HA2 -0.279 3.685 3.960 0.006 0.000 0.257 598 G HA3 -0.279 3.685 3.960 0.006 0.000 0.257 598 G C -0.041 174.646 174.900 -0.356 0.000 1.010 598 G CA 0.044 45.001 45.100 -0.240 0.000 0.736 598 G HN 0.418 nan 8.290 nan 0.000 0.513 599 H N -0.128 118.925 119.070 -0.027 0.000 2.499 599 H HA 0.390 4.949 4.556 0.006 0.000 0.340 599 H C -2.377 172.914 175.328 -0.062 0.000 1.148 599 H CA -2.106 53.900 56.048 -0.069 0.000 1.215 599 H CB 1.720 31.430 29.762 -0.086 0.000 1.529 599 H HN 0.022 nan 8.280 nan 0.000 0.510 600 P HA 0.001 nan 4.420 nan 0.000 0.265 600 P C 0.002 177.383 177.300 0.135 0.000 1.193 600 P CA 0.090 63.242 63.100 0.087 0.000 0.765 600 P CB 0.574 32.326 31.700 0.087 0.000 0.823 601 R N 2.798 123.371 120.500 0.121 0.000 2.288 601 R HA 0.483 4.826 4.340 0.006 0.000 0.330 601 R C 0.715 177.190 176.300 0.293 0.000 1.069 601 R CA 0.160 56.295 56.100 0.058 0.000 0.941 601 R CB 0.051 30.251 30.300 -0.167 0.000 0.998 601 R HN 0.642 nan 8.270 nan 0.000 0.452 602 G N 1.782 110.808 108.800 0.376 0.000 2.687 602 G HA2 0.483 4.446 3.960 0.006 0.000 0.291 602 G HA3 0.483 4.446 3.960 0.006 0.000 0.291 602 G C -2.009 173.166 174.900 0.459 0.000 1.420 602 G CA -0.431 44.991 45.100 0.536 0.000 0.796 602 G HN 0.350 nan 8.290 nan 0.000 0.485 603 Y N 0.225 120.703 120.300 0.296 0.000 2.425 603 Y HA 0.568 5.122 4.550 0.005 0.000 0.344 603 Y C 0.678 176.696 175.900 0.197 0.000 0.969 603 Y CA -0.826 57.368 58.100 0.156 0.000 1.052 603 Y CB 2.050 40.550 38.460 0.066 0.000 1.215 603 Y HN 0.731 nan 8.280 nan 0.000 0.451 604 R N 2.947 123.544 120.500 0.162 0.000 2.536 604 R HA 0.760 5.104 4.340 0.006 0.000 0.279 604 R C -1.383 174.965 176.300 0.079 0.000 1.001 604 R CA -0.704 55.474 56.100 0.130 0.000 1.027 604 R CB 1.310 31.555 30.300 -0.092 0.000 1.096 604 R HN 0.646 nan 8.270 nan 0.000 0.502 605 I N 2.247 122.833 120.570 0.027 0.000 2.412 605 I HA 0.128 4.301 4.170 0.006 0.000 0.279 605 I C -0.231 175.859 176.117 -0.045 0.000 1.063 605 I CA -0.462 60.819 61.300 -0.032 0.000 1.193 605 I CB 1.393 39.331 38.000 -0.104 0.000 1.370 605 I HN 0.620 nan 8.210 nan 0.000 0.479 606 Q N 6.931 126.734 119.800 0.004 0.000 2.294 606 Q HA 0.442 4.785 4.340 0.006 0.000 0.257 606 Q C -0.796 175.271 176.000 0.112 0.000 0.955 606 Q CA -0.307 55.491 55.803 -0.009 0.000 0.936 606 Q CB 1.061 29.761 28.738 -0.065 0.000 1.188 606 Q HN 0.579 nan 8.270 nan 0.000 0.420 607 M N 4.184 123.809 119.600 0.041 0.000 2.409 607 M HA 0.395 4.878 4.480 0.006 0.000 0.329 607 M C -0.914 175.401 176.300 0.025 0.000 1.180 607 M CA -0.640 54.709 55.300 0.083 0.000 1.053 607 M CB 1.214 33.839 32.600 0.040 0.000 1.586 607 M HN 0.567 nan 8.290 nan 0.000 0.461 608 L N 2.376 123.614 121.223 0.025 0.000 2.490 608 L HA 0.510 4.854 4.340 0.006 0.000 0.256 608 L C -0.713 176.089 176.870 -0.113 0.000 1.089 608 L CA -0.410 54.379 54.840 -0.085 0.000 0.916 608 L CB 0.670 42.723 42.059 -0.010 0.000 1.188 608 L HN 0.785 nan 8.230 nan 0.000 0.476 609 S N 0.171 115.701 115.700 -0.284 0.000 2.565 609 S HA 0.768 5.241 4.470 0.006 0.000 0.269 609 S C -0.859 173.523 174.600 -0.363 0.000 1.153 609 S CA -0.631 57.511 58.200 -0.098 0.000 0.835 609 S CB 1.694 64.987 63.200 0.156 0.000 1.122 609 S HN 0.250 nan 8.310 nan 0.000 0.462 610 F N 0.548 120.581 119.950 0.139 0.000 2.733 610 F HA 0.628 5.158 4.527 0.006 0.000 0.380 610 F C 0.972 176.866 175.800 0.156 0.000 1.324 610 F CA -0.724 57.346 58.000 0.117 0.000 1.178 610 F CB -0.015 39.036 39.000 0.085 0.000 1.093 610 F HN 0.905 nan 8.300 nan 0.000 0.512 611 A N 1.335 124.351 122.820 0.327 0.000 2.589 611 A HA 0.314 4.637 4.320 0.006 0.000 0.259 611 A C 1.226 178.914 177.584 0.173 0.000 1.000 611 A CA 0.901 53.087 52.037 0.248 0.000 0.847 611 A CB -0.628 18.499 19.000 0.213 0.000 0.885 611 A HN 0.602 nan 8.150 nan 0.000 0.508 612 G N 2.434 111.311 108.800 0.129 0.000 2.594 612 G HA2 0.399 4.362 3.960 0.006 0.000 0.243 612 G HA3 0.399 4.362 3.960 0.006 0.000 0.243 612 G C -0.052 174.868 174.900 0.032 0.000 1.229 612 G CA -0.507 44.633 45.100 0.067 0.000 0.843 612 G HN 0.876 nan 8.290 nan 0.000 0.578 613 E N 1.932 122.144 120.200 0.019 0.000 2.694 613 E HA 0.008 4.362 4.350 0.006 0.000 0.250 613 E C -1.557 175.028 176.600 -0.026 0.000 0.963 613 E CA -0.409 55.993 56.400 0.004 0.000 0.949 613 E CB 0.421 30.121 29.700 0.000 0.000 0.911 613 E HN 0.302 nan 8.360 nan 0.000 0.500 614 P HA -0.025 nan 4.420 nan 0.000 0.272 614 P C -0.362 176.904 177.300 -0.055 0.000 1.230 614 P CA -0.540 62.513 63.100 -0.078 0.000 0.788 614 P CB 0.637 32.270 31.700 -0.112 0.000 0.949 615 L N 3.948 125.146 121.223 -0.041 0.000 2.578 615 L HA 0.056 4.399 4.340 0.006 0.000 0.279 615 L C -1.899 174.966 176.870 -0.010 0.000 1.227 615 L CA -0.632 54.211 54.840 0.005 0.000 0.900 615 L CB -1.126 40.994 42.059 0.102 0.000 1.144 615 L HN 0.359 nan 8.230 nan 0.000 0.496 616 P HA -0.055 nan 4.420 nan 0.000 0.273 616 P C -0.246 177.034 177.300 -0.034 0.000 1.248 616 P CA 0.123 63.212 63.100 -0.019 0.000 0.817 616 P CB 0.349 32.046 31.700 -0.005 0.000 0.995 617 Q N -0.876 118.902 119.800 -0.037 0.000 2.373 617 Q HA 0.048 4.391 4.340 0.006 0.000 0.210 617 Q C 1.654 177.635 176.000 -0.031 0.000 0.913 617 Q CA 0.414 56.187 55.803 -0.051 0.000 0.911 617 Q CB -0.232 28.476 28.738 -0.051 0.000 1.040 617 Q HN 0.444 nan 8.270 nan 0.000 0.521 618 N N 0.507 119.198 118.700 -0.015 0.000 2.348 618 N HA -0.100 4.644 4.740 0.006 0.000 0.185 618 N C 0.391 175.906 175.510 0.008 0.000 1.019 618 N CA 0.160 53.209 53.050 -0.003 0.000 0.880 618 N CB 0.148 38.636 38.487 0.002 0.000 0.965 618 N HN -0.053 nan 8.380 nan 0.000 0.437 619 S N -0.007 115.698 115.700 0.009 0.000 2.510 619 S HA 0.057 4.530 4.470 0.006 0.000 0.279 619 S C 1.385 176.010 174.600 0.041 0.000 1.284 619 S CA -0.556 57.665 58.200 0.035 0.000 1.059 619 S CB 0.755 63.980 63.200 0.041 0.000 0.901 619 S HN 0.357 nan 8.310 nan 0.000 0.491 620 S N 5.435 121.200 115.700 0.108 0.000 2.407 620 S HA -0.274 4.200 4.470 0.006 0.000 0.235 620 S C 1.712 176.429 174.600 0.196 0.000 1.036 620 S CA 1.893 60.203 58.200 0.184 0.000 1.013 620 S CB -0.721 62.640 63.200 0.269 0.000 0.820 620 S HN 0.930 nan 8.310 nan 0.000 0.476 621 M N -0.078 119.568 119.600 0.077 0.000 2.510 621 M HA 0.558 5.042 4.480 0.006 0.000 0.256 621 M C 2.199 178.169 176.300 -0.549 0.000 1.132 621 M CA 0.644 55.775 55.300 -0.282 0.000 1.105 621 M CB -0.515 31.837 32.600 -0.414 0.000 1.375 621 M HN 0.226 nan 8.290 nan 0.000 0.477 622 A N 2.280 124.863 122.820 -0.395 0.000 1.944 622 A HA -0.251 4.073 4.320 0.006 0.000 0.222 622 A C 2.299 179.453 177.584 -0.718 0.000 1.237 622 A CA 2.229 53.952 52.037 -0.523 0.000 0.668 622 A CB -0.860 18.000 19.000 -0.234 0.000 0.830 622 A HN 0.575 nan 8.150 nan 0.000 0.471 623 R N -0.995 119.225 120.500 -0.468 0.000 2.159 623 R HA -0.141 4.202 4.340 0.006 0.000 0.237 623 R C 2.258 178.294 176.300 -0.440 0.000 1.131 623 R CA 1.134 57.016 56.100 -0.364 0.000 0.982 623 R CB -1.170 29.010 30.300 -0.199 0.000 0.868 623 R HN 0.608 nan 8.270 nan 0.000 0.453 624 G N 0.522 108.912 108.800 -0.682 0.000 2.498 624 G HA2 -0.188 3.775 3.960 0.006 0.000 0.219 624 G HA3 -0.188 3.775 3.960 0.006 0.000 0.219 624 G C 0.473 175.170 174.900 -0.339 0.000 1.119 624 G CA 0.492 45.280 45.100 -0.520 0.000 0.766 624 G HN 0.405 nan 8.290 nan 0.000 0.552 625 F N -0.957 118.851 119.950 -0.237 0.000 2.514 625 F HA 0.342 4.872 4.527 0.006 0.000 0.374 625 F C 1.218 176.582 175.800 -0.727 0.000 1.532 625 F CA -0.777 56.932 58.000 -0.485 0.000 1.082 625 F CB -0.469 38.197 39.000 -0.557 0.000 1.610 625 F HN -0.023 nan 8.300 nan 0.000 0.531 626 S N 0.136 115.621 115.700 -0.359 0.000 2.419 626 S HA -0.218 4.256 4.470 0.006 0.000 0.235 626 S C 1.690 176.111 174.600 -0.298 0.000 1.019 626 S CA 1.207 59.231 58.200 -0.293 0.000 0.982 626 S CB -0.875 62.247 63.200 -0.131 0.000 0.789 626 S HN 0.800 nan 8.310 nan 0.000 0.490 627 W N 2.065 123.288 121.300 -0.128 0.000 2.392 627 W HA 0.041 4.705 4.660 0.006 0.000 0.279 627 W C 1.618 177.980 176.519 -0.262 0.000 1.225 627 W CA 0.887 58.059 57.345 -0.288 0.000 1.233 627 W CB -0.831 27.843 29.460 -1.309 0.000 1.122 627 W HN 0.455 nan 8.180 nan 0.000 0.561 628 E N 1.552 121.150 120.200 -1.003 0.000 2.333 628 E HA -0.219 4.134 4.350 0.006 0.000 0.198 628 E C 1.854 178.266 176.600 -0.313 0.000 1.007 628 E CA 0.728 56.674 56.400 -0.756 0.000 0.845 628 E CB -0.254 28.914 29.700 -0.887 0.000 0.766 628 E HN 0.253 nan 8.360 nan 0.000 0.507 629 R N -0.479 119.775 120.500 -0.410 0.000 2.335 629 R HA 0.109 4.452 4.340 0.006 0.000 0.223 629 R C -0.659 175.437 176.300 -0.340 0.000 0.940 629 R CA 0.043 55.905 56.100 -0.396 0.000 1.086 629 R CB 0.163 30.146 30.300 -0.528 0.000 1.073 629 R HN 0.102 nan 8.270 nan 0.000 0.504 630 Y N -1.730 118.667 120.300 0.162 0.000 2.545 630 Y HA 0.203 4.756 4.550 0.006 0.000 0.348 630 Y C 0.758 176.833 175.900 0.292 0.000 1.002 630 Y CA -1.147 57.100 58.100 0.245 0.000 1.039 630 Y CB 2.226 40.885 38.460 0.331 0.000 1.271 630 Y HN -0.124 nan 8.280 nan 0.000 0.467 631 Q N 0.852 120.937 119.800 0.475 0.000 2.304 631 Q HA 0.161 4.505 4.340 0.006 0.000 0.204 631 Q C -0.880 175.356 176.000 0.394 0.000 0.936 631 Q CA 0.503 56.526 55.803 0.366 0.000 0.878 631 Q CB 0.908 29.803 28.738 0.262 0.000 0.983 631 Q HN 0.458 nan 8.270 nan 0.000 0.516 632 L N -1.102 120.370 121.223 0.416 0.000 2.518 632 L HA 0.752 5.096 4.340 0.006 0.000 0.257 632 L C -2.199 174.888 176.870 0.363 0.000 0.980 632 L CA -0.656 54.411 54.840 0.379 0.000 0.837 632 L CB 2.193 44.409 42.059 0.262 0.000 1.410 632 L HN -0.022 nan 8.230 nan 0.000 0.410 633 A N 2.582 125.623 122.820 0.369 0.000 2.606 633 A HA 0.892 5.215 4.320 0.006 0.000 0.293 633 A C -1.969 175.837 177.584 0.369 0.000 1.082 633 A CA -0.502 51.681 52.037 0.243 0.000 0.685 633 A CB 1.945 21.038 19.000 0.154 0.000 1.284 633 A HN 0.733 nan 8.150 nan 0.000 0.408 634 V N 1.094 121.151 119.914 0.239 0.000 2.760 634 V HA 0.832 4.955 4.120 0.006 0.000 0.309 634 V C 0.128 176.348 176.094 0.210 0.000 1.077 634 V CA 0.151 62.606 62.300 0.257 0.000 0.910 634 V CB 1.858 33.755 31.823 0.123 0.000 1.008 634 V HN 1.493 nan 8.190 nan 0.000 0.424 635 T N 0.861 115.595 114.554 0.301 0.000 2.778 635 T HA 0.544 4.897 4.350 0.006 0.000 0.293 635 T C -0.863 173.920 174.700 0.139 0.000 1.144 635 T CA -0.904 61.320 62.100 0.207 0.000 1.010 635 T CB 1.956 70.991 68.868 0.279 0.000 1.325 635 T HN 0.491 nan 8.240 nan 0.000 0.515 636 Q N 0.989 120.829 119.800 0.066 0.000 2.307 636 Q HA 0.291 4.635 4.340 0.006 0.000 0.259 636 Q C -0.070 175.959 176.000 0.048 0.000 0.998 636 Q CA -0.534 55.278 55.803 0.015 0.000 0.923 636 Q CB 0.886 29.606 28.738 -0.030 0.000 1.196 636 Q HN 0.491 nan 8.270 nan 0.000 0.416 637 R N 3.516 124.044 120.500 0.045 0.000 2.842 637 R HA -0.059 4.284 4.340 0.006 0.000 0.260 637 R C -0.849 175.469 176.300 0.031 0.000 1.495 637 R CA 0.600 56.738 56.100 0.063 0.000 1.024 637 R CB -0.430 29.888 30.300 0.029 0.000 1.147 637 R HN 0.266 nan 8.270 nan 0.000 0.553 638 K N 2.422 122.835 120.400 0.022 0.000 2.172 638 K HA 0.024 4.348 4.320 0.006 0.000 0.276 638 K C 0.510 177.116 176.600 0.009 0.000 1.013 638 K CA -0.485 55.791 56.287 -0.019 0.000 0.913 638 K CB 1.515 33.965 32.500 -0.084 0.000 1.055 638 K HN 0.347 nan 8.250 nan 0.000 0.461 639 E N 2.123 122.333 120.200 0.016 0.000 2.209 639 E HA -0.195 4.159 4.350 0.006 0.000 0.196 639 E C 0.370 176.995 176.600 0.041 0.000 0.993 639 E CA 1.585 58.014 56.400 0.048 0.000 0.819 639 E CB 0.247 29.970 29.700 0.039 0.000 0.745 639 E HN 0.491 nan 8.360 nan 0.000 0.477 640 E N 0.123 120.316 120.200 -0.011 0.000 2.489 640 E HA 0.049 4.402 4.350 0.006 0.000 0.193 640 E C -0.195 176.355 176.600 -0.084 0.000 1.057 640 E CA 0.337 56.716 56.400 -0.035 0.000 0.866 640 E CB 0.351 30.017 29.700 -0.057 0.000 0.916 640 E HN 0.238 nan 8.360 nan 0.000 0.500 641 E N 1.268 121.392 120.200 -0.127 0.000 3.167 641 E HA 0.101 4.455 4.350 0.006 0.000 0.212 641 E C -1.951 174.756 176.600 0.179 0.000 1.143 641 E CA -1.132 55.082 56.400 -0.311 0.000 1.002 641 E CB 0.977 30.120 29.700 -0.927 0.000 1.315 641 E HN 0.109 nan 8.360 nan 0.000 0.422 642 P HA 0.101 nan 4.420 nan 0.000 0.252 642 P C -0.106 177.474 177.300 0.466 0.000 1.211 642 P CA 0.173 63.482 63.100 0.348 0.000 0.824 642 P CB 0.795 32.643 31.700 0.247 0.000 1.077 643 S N -0.720 115.307 115.700 0.546 0.000 2.536 643 S HA 0.271 4.744 4.470 0.006 0.000 0.271 643 S C 0.664 175.531 174.600 0.444 0.000 1.134 643 S CA -0.348 58.142 58.200 0.484 0.000 0.897 643 S CB 1.706 65.096 63.200 0.317 0.000 1.094 643 S HN 0.021 nan 8.310 nan 0.000 0.473 644 S N 0.360 116.198 115.700 0.231 0.000 2.527 644 S HA 0.283 4.756 4.470 0.006 0.000 0.222 644 S C 0.695 175.247 174.600 -0.080 0.000 0.985 644 S CA 0.076 58.168 58.200 -0.180 0.000 0.921 644 S CB 0.080 63.011 63.200 -0.449 0.000 0.772 644 S HN 0.518 nan 8.310 nan 0.000 0.529 645 S N -0.483 115.246 115.700 0.048 0.000 2.625 645 S HA 0.702 5.176 4.470 0.006 0.000 0.271 645 S C -1.341 173.360 174.600 0.169 0.000 1.161 645 S CA -0.547 57.729 58.200 0.127 0.000 0.820 645 S CB 2.053 65.333 63.200 0.134 0.000 1.137 645 S HN 0.291 nan 8.310 nan 0.000 0.470 646 S N 0.292 116.101 115.700 0.182 0.000 2.599 646 S HA 0.497 4.970 4.470 0.006 0.000 0.294 646 S C 0.898 175.521 174.600 0.038 0.000 1.094 646 S CA -0.133 58.188 58.200 0.201 0.000 0.931 646 S CB 1.489 64.906 63.200 0.360 0.000 1.093 646 S HN 0.974 nan 8.310 nan 0.000 0.488 647 V N 3.870 123.678 119.914 -0.176 0.000 2.594 647 V HA -0.012 4.112 4.120 0.006 0.000 0.253 647 V C 1.137 176.899 176.094 -0.553 0.000 1.069 647 V CA 1.945 63.916 62.300 -0.547 0.000 1.082 647 V CB -0.872 30.155 31.823 -1.327 0.000 0.680 647 V HN 0.844 nan 8.190 nan 0.000 0.469 648 F N 0.678 120.517 119.950 -0.185 0.000 2.780 648 F HA 0.147 4.678 4.527 0.006 0.000 0.299 648 F C 1.989 177.691 175.800 -0.163 0.000 1.146 648 F CA 0.961 58.833 58.000 -0.212 0.000 1.428 648 F CB -0.769 38.080 39.000 -0.253 0.000 1.115 648 F HN 0.249 nan 8.300 nan 0.000 0.583 649 N N 0.395 119.122 118.700 0.046 0.000 2.188 649 N HA -0.192 4.552 4.740 0.006 0.000 0.184 649 N C 1.840 177.335 175.510 -0.025 0.000 1.018 649 N CA 0.955 54.020 53.050 0.025 0.000 0.858 649 N CB -0.390 38.145 38.487 0.080 0.000 0.989 649 N HN 0.246 nan 8.380 nan 0.000 0.426 650 Q N 0.881 120.674 119.800 -0.010 0.000 2.096 650 Q HA -0.126 4.217 4.340 0.006 0.000 0.208 650 Q C 0.791 176.755 176.000 -0.060 0.000 0.993 650 Q CA 1.729 57.537 55.803 0.009 0.000 0.862 650 Q CB -0.159 28.609 28.738 0.049 0.000 0.915 650 Q HN 0.304 nan 8.270 nan 0.000 0.416 651 N N -0.096 118.543 118.700 -0.102 0.000 2.412 651 N HA 0.006 4.749 4.740 0.006 0.000 0.184 651 N C -0.645 174.818 175.510 -0.078 0.000 1.101 651 N CA 0.591 53.587 53.050 -0.091 0.000 0.881 651 N CB 0.510 38.911 38.487 -0.143 0.000 0.969 651 N HN 0.206 nan 8.380 nan 0.000 0.459 652 D N -0.710 119.610 120.400 -0.133 0.000 2.517 652 D HA 0.240 4.884 4.640 0.006 0.000 0.263 652 D C -2.221 173.969 176.300 -0.185 0.000 1.233 652 D CA -1.604 52.360 54.000 -0.060 0.000 0.849 652 D CB 1.373 42.145 40.800 -0.046 0.000 1.261 652 D HN -0.060 nan 8.370 nan 0.000 0.516 653 P HA 0.090 nan 4.420 nan 0.000 0.227 653 P C 1.334 178.339 177.300 -0.491 0.000 1.161 653 P CA 0.287 63.051 63.100 -0.560 0.000 0.788 653 P CB 0.181 31.420 31.700 -0.769 0.000 0.822 654 W N 0.052 121.332 121.300 -0.034 0.000 2.678 654 W HA 0.392 5.056 4.660 0.006 0.000 0.256 654 W C 0.441 176.945 176.519 -0.025 0.000 1.280 654 W CA 0.335 57.660 57.345 -0.034 0.000 1.345 654 W CB -0.416 29.045 29.460 0.001 0.000 1.118 654 W HN -0.063 nan 8.180 nan 0.000 0.629 655 A N 0.480 123.385 122.820 0.142 0.000 3.266 655 A HA 0.485 4.809 4.320 0.006 0.000 0.310 655 A C -2.665 174.938 177.584 0.032 0.000 1.066 655 A CA -0.991 51.103 52.037 0.096 0.000 0.839 655 A CB -0.102 18.984 19.000 0.144 0.000 1.192 655 A HN -0.298 nan 8.150 nan 0.000 0.496 656 P HA 0.041 nan 4.420 nan 0.000 0.261 656 P C 1.034 178.361 177.300 0.046 0.000 1.173 656 P CA 0.770 63.865 63.100 -0.009 0.000 0.760 656 P CB 0.814 32.492 31.700 -0.038 0.000 0.783 657 T N 0.734 115.331 114.554 0.072 0.000 2.985 657 T HA 0.051 4.405 4.350 0.006 0.000 0.266 657 T C 0.641 175.496 174.700 0.258 0.000 1.076 657 T CA 0.828 62.995 62.100 0.112 0.000 1.135 657 T CB 0.151 69.060 68.868 0.068 0.000 0.890 657 T HN 0.172 nan 8.240 nan 0.000 0.480 658 V N 2.438 122.478 119.914 0.209 0.000 2.516 658 V HA 0.282 4.405 4.120 0.006 0.000 0.271 658 V C -1.242 174.923 176.094 0.118 0.000 0.992 658 V CA -1.337 61.094 62.300 0.218 0.000 0.857 658 V CB 1.503 33.481 31.823 0.258 0.000 1.047 658 V HN 0.157 nan 8.190 nan 0.000 0.455 659 D N 2.361 122.818 120.400 0.095 0.000 2.325 659 D HA 0.185 4.828 4.640 0.006 0.000 0.251 659 D C 0.558 176.819 176.300 -0.064 0.000 1.196 659 D CA -0.211 53.803 54.000 0.023 0.000 0.866 659 D CB 1.060 41.874 40.800 0.023 0.000 1.101 659 D HN 0.336 nan 8.370 nan 0.000 0.476 660 F N 2.755 122.519 119.950 -0.310 0.000 2.367 660 F HA -0.049 4.482 4.527 0.006 0.000 0.298 660 F C 2.137 177.773 175.800 -0.274 0.000 1.094 660 F CA 0.679 58.321 58.000 -0.597 0.000 1.409 660 F CB 0.032 38.791 39.000 -0.402 0.000 1.064 660 F HN 0.315 nan 8.300 nan 0.000 0.528 661 S N 0.066 115.662 115.700 -0.172 0.000 2.469 661 S HA -0.157 4.317 4.470 0.006 0.000 0.238 661 S C 1.294 175.824 174.600 -0.117 0.000 0.998 661 S CA 1.230 59.360 58.200 -0.116 0.000 0.957 661 S CB -0.364 62.818 63.200 -0.030 0.000 0.764 661 S HN 0.409 nan 8.310 nan 0.000 0.514 662 D N 0.489 120.853 120.400 -0.059 0.000 2.317 662 D HA 0.061 4.705 4.640 0.006 0.000 0.211 662 D C 0.964 177.335 176.300 0.119 0.000 0.966 662 D CA 0.449 54.478 54.000 0.050 0.000 0.876 662 D CB -0.198 40.674 40.800 0.119 0.000 0.927 662 D HN 0.320 nan 8.370 nan 0.000 0.519 663 F N 0.511 120.252 119.950 -0.348 0.000 2.604 663 F HA 0.150 4.680 4.527 0.006 0.000 0.298 663 F C 0.982 176.570 175.800 -0.353 0.000 1.131 663 F CA -0.035 57.733 58.000 -0.386 0.000 1.457 663 F CB -0.353 38.228 39.000 -0.698 0.000 1.095 663 F HN -0.109 nan 8.300 nan 0.000 0.574 664 I N 1.478 121.956 120.570 -0.155 0.000 2.412 664 I HA 0.200 4.373 4.170 0.006 0.000 0.279 664 I C -0.844 175.210 176.117 -0.105 0.000 1.063 664 I CA -0.590 60.610 61.300 -0.167 0.000 1.193 664 I CB 0.109 37.961 38.000 -0.247 0.000 1.370 664 I HN -0.061 nan 8.210 nan 0.000 0.479 665 N N 3.529 122.179 118.700 -0.083 0.000 2.457 665 N HA 0.296 5.040 4.740 0.006 0.000 0.290 665 N C -0.271 175.199 175.510 -0.066 0.000 1.232 665 N CA -1.009 52.003 53.050 -0.063 0.000 0.852 665 N CB 0.523 38.979 38.487 -0.053 0.000 1.313 665 N HN 0.183 nan 8.380 nan 0.000 0.522 666 N N 0.509 119.176 118.700 -0.055 0.000 3.103 666 N HA 0.032 4.776 4.740 0.006 0.000 0.305 666 N C -0.972 174.507 175.510 -0.051 0.000 1.232 666 N CA 0.272 53.289 53.050 -0.055 0.000 1.190 666 N CB -0.078 38.382 38.487 -0.046 0.000 1.461 666 N HN 0.508 nan 8.380 nan 0.000 0.538 667 E N -0.054 120.112 120.200 -0.056 0.000 2.191 667 E HA 0.107 4.460 4.350 0.006 0.000 0.274 667 E C -0.153 176.413 176.600 -0.057 0.000 0.948 667 E CA -0.571 55.797 56.400 -0.053 0.000 0.802 667 E CB 1.666 31.333 29.700 -0.055 0.000 1.137 667 E HN 0.028 nan 8.360 nan 0.000 0.397 668 T N 2.153 116.675 114.554 -0.054 0.000 2.902 668 T HA 0.132 4.486 4.350 0.006 0.000 0.301 668 T C 0.672 175.321 174.700 -0.085 0.000 1.012 668 T CA -0.140 61.925 62.100 -0.059 0.000 1.151 668 T CB -0.030 68.812 68.868 -0.043 0.000 0.946 668 T HN 0.470 nan 8.240 nan 0.000 0.542 669 I N 2.764 123.276 120.570 -0.097 0.000 3.626 669 I HA 0.635 4.808 4.170 0.006 0.000 0.345 669 I C 0.250 176.232 176.117 -0.226 0.000 1.502 669 I CA -0.940 60.278 61.300 -0.137 0.000 1.135 669 I CB -0.029 37.914 38.000 -0.095 0.000 1.456 669 I HN 0.487 nan 8.210 nan 0.000 0.460 670 A N 1.531 124.203 122.820 -0.246 0.000 2.293 670 A HA 0.688 5.012 4.320 0.006 0.000 0.312 670 A C 0.978 178.151 177.584 -0.685 0.000 1.309 670 A CA 0.040 51.853 52.037 -0.373 0.000 0.839 670 A CB 0.351 19.444 19.000 0.154 0.000 1.155 670 A HN 1.039 nan 8.150 nan 0.000 0.501 671 G N 1.823 109.481 108.800 -1.904 0.000 2.160 671 G HA2 -0.185 3.779 3.960 0.006 0.000 0.244 671 G HA3 -0.185 3.779 3.960 0.006 0.000 0.244 671 G C 0.073 174.557 174.900 -0.693 0.000 1.022 671 G CA 0.489 44.642 45.100 -1.577 0.000 0.741 671 G HN 0.680 nan 8.290 nan 0.000 0.508 672 K N -0.227 119.823 120.400 -0.583 0.000 2.316 672 K HA 0.568 4.892 4.320 0.006 0.000 0.234 672 K C -0.633 175.827 176.600 -0.234 0.000 1.054 672 K CA -1.058 55.049 56.287 -0.301 0.000 0.879 672 K CB 0.745 33.114 32.500 -0.218 0.000 1.252 672 K HN 0.103 nan 8.250 nan 0.000 0.471 673 D N 1.367 121.685 120.400 -0.137 0.000 2.339 673 D HA 0.271 4.915 4.640 0.006 0.000 0.241 673 D C -0.567 175.692 176.300 -0.068 0.000 1.183 673 D CA -0.132 53.815 54.000 -0.089 0.000 0.859 673 D CB 0.053 40.814 40.800 -0.065 0.000 1.067 673 D HN 0.294 nan 8.370 nan 0.000 0.484 674 L N 2.804 123.991 121.223 -0.060 0.000 2.331 674 L HA 0.733 5.076 4.340 0.006 0.000 0.268 674 L C -0.348 176.511 176.870 -0.018 0.000 1.015 674 L CA -1.416 53.406 54.840 -0.029 0.000 0.807 674 L CB 1.900 43.932 42.059 -0.045 0.000 1.293 674 L HN 0.212 nan 8.230 nan 0.000 0.451 675 V N 0.260 120.174 119.914 -0.000 0.000 2.817 675 V HA 0.805 4.929 4.120 0.006 0.000 0.303 675 V C -1.019 174.983 176.094 -0.153 0.000 1.151 675 V CA -0.243 61.984 62.300 -0.121 0.000 0.929 675 V CB 1.811 33.546 31.823 -0.147 0.000 1.030 675 V HN 0.876 nan 8.190 nan 0.000 0.427 676 A N 5.754 128.407 122.820 -0.278 0.000 2.306 676 A HA 0.871 5.194 4.320 0.006 0.000 0.314 676 A C -1.371 175.972 177.584 -0.400 0.000 1.164 676 A CA -0.498 51.438 52.037 -0.170 0.000 0.822 676 A CB 0.816 19.736 19.000 -0.133 0.000 1.130 676 A HN 1.028 nan 8.150 nan 0.000 0.496 677 W N 2.311 123.658 121.300 0.078 0.000 2.338 677 W HA 0.519 5.183 4.660 0.006 0.000 0.315 677 W C -0.699 175.892 176.519 0.120 0.000 1.005 677 W CA -0.534 56.837 57.345 0.044 0.000 1.380 677 W CB 1.336 31.016 29.460 0.366 0.000 1.235 677 W HN 0.411 nan 8.180 nan 0.000 0.409 678 V N 3.044 123.043 119.914 0.143 0.000 2.539 678 V HA 0.618 4.742 4.120 0.006 0.000 0.292 678 V C 0.129 176.543 176.094 0.534 0.000 1.045 678 V CA -0.533 61.919 62.300 0.254 0.000 0.945 678 V CB 1.584 33.391 31.823 -0.027 0.000 0.993 678 V HN 0.429 nan 8.190 nan 0.000 0.464 679 T N 3.654 118.544 114.554 0.560 0.000 2.841 679 T HA 0.743 5.097 4.350 0.006 0.000 0.285 679 T C -0.350 174.660 174.700 0.518 0.000 0.991 679 T CA -0.291 62.187 62.100 0.630 0.000 0.966 679 T CB 1.512 70.768 68.868 0.648 0.000 0.962 679 T HN 1.003 nan 8.240 nan 0.000 0.438 680 A N 2.279 125.448 122.820 0.582 0.000 2.393 680 A HA 1.035 5.358 4.320 0.006 0.000 0.306 680 A C 0.046 177.973 177.584 0.570 0.000 1.050 680 A CA -0.492 51.846 52.037 0.502 0.000 0.724 680 A CB 1.740 21.011 19.000 0.452 0.000 1.248 680 A HN 1.173 nan 8.150 nan 0.000 0.424 681 G N -0.145 108.950 108.800 0.492 0.000 2.428 681 G HA2 0.791 4.755 3.960 0.006 0.000 0.304 681 G HA3 0.791 4.755 3.960 0.006 0.000 0.304 681 G C -1.143 174.065 174.900 0.513 0.000 1.303 681 G CA 0.160 45.523 45.100 0.438 0.000 0.825 681 G HN 1.911 nan 8.290 nan 0.000 0.484 682 F N -2.450 117.631 119.950 0.218 0.000 2.858 682 F HA 0.772 5.302 4.527 0.006 0.000 0.319 682 F C -1.570 174.276 175.800 0.076 0.000 1.166 682 F CA -1.401 56.683 58.000 0.139 0.000 0.899 682 F CB 1.364 40.389 39.000 0.042 0.000 1.332 682 F HN 0.649 nan 8.300 nan 0.000 0.461 683 L N 1.824 123.168 121.223 0.203 0.000 2.312 683 L HA 0.501 4.844 4.340 0.006 0.000 0.281 683 L C -0.946 175.999 176.870 0.124 0.000 1.070 683 L CA -0.029 54.834 54.840 0.039 0.000 0.805 683 L CB 1.004 43.079 42.059 0.026 0.000 1.174 683 L HN 0.819 nan 8.230 nan 0.000 0.434 684 H N 5.789 124.704 119.070 -0.257 0.000 2.708 684 H HA 0.456 5.015 4.556 0.006 0.000 0.320 684 H C -1.137 173.972 175.328 -0.365 0.000 0.991 684 H CA -0.940 54.945 56.048 -0.272 0.000 1.243 684 H CB 1.047 30.565 29.762 -0.407 0.000 1.446 684 H HN 0.639 nan 8.280 nan 0.000 0.502 685 I N 7.853 128.478 120.570 0.091 0.000 2.361 685 I HA 0.220 4.393 4.170 0.006 0.000 0.282 685 I C -2.325 173.850 176.117 0.096 0.000 1.075 685 I CA -2.097 59.198 61.300 -0.007 0.000 1.205 685 I CB 0.962 38.981 38.000 0.031 0.000 1.406 685 I HN 0.446 nan 8.210 nan 0.000 0.481 686 P HA -0.068 nan 4.420 nan 0.000 0.261 686 P C -1.022 176.300 177.300 0.036 0.000 1.165 686 P CA 0.785 63.799 63.100 -0.143 0.000 0.759 686 P CB 0.130 31.724 31.700 -0.177 0.000 0.772 687 H N 0.136 119.242 119.070 0.059 0.000 2.946 687 H HA 0.697 5.256 4.556 0.006 0.000 0.365 687 H C 1.030 176.372 175.328 0.024 0.000 1.197 687 H CA -0.942 55.123 56.048 0.028 0.000 1.131 687 H CB 0.467 30.243 29.762 0.023 0.000 1.849 687 H HN 0.209 nan 8.280 nan 0.000 0.555 688 A N 0.722 123.613 122.820 0.120 0.000 1.971 688 A HA -0.312 4.012 4.320 0.006 0.000 0.222 688 A C 1.558 179.163 177.584 0.035 0.000 1.182 688 A CA 2.318 54.389 52.037 0.056 0.000 0.649 688 A CB -0.994 18.044 19.000 0.063 0.000 0.818 688 A HN 0.852 nan 8.150 nan 0.000 0.458 689 E N 0.282 120.551 120.200 0.115 0.000 2.515 689 E HA -0.064 4.290 4.350 0.006 0.000 0.201 689 E C 0.576 177.136 176.600 -0.066 0.000 1.071 689 E CA 0.759 57.199 56.400 0.066 0.000 0.880 689 E CB -0.057 29.757 29.700 0.190 0.000 0.828 689 E HN 0.555 nan 8.360 nan 0.000 0.540 690 D N -0.067 120.229 120.400 -0.173 0.000 2.328 690 D HA 0.014 4.657 4.640 0.006 0.000 0.226 690 D C -0.057 176.167 176.300 -0.126 0.000 1.066 690 D CA 0.318 54.215 54.000 -0.173 0.000 0.861 690 D CB 0.458 41.154 40.800 -0.172 0.000 0.912 690 D HN 0.120 nan 8.370 nan 0.000 0.521 691 I N 2.269 122.783 120.570 -0.093 0.000 2.406 691 I HA 0.140 4.314 4.170 0.006 0.000 0.290 691 I C -1.177 174.897 176.117 -0.071 0.000 0.999 691 I CA -2.094 59.159 61.300 -0.078 0.000 1.124 691 I CB 1.619 39.593 38.000 -0.043 0.000 1.289 691 I HN -0.275 nan 8.210 nan 0.000 0.441 692 P HA -0.043 nan 4.420 nan 0.000 0.217 692 P C 0.150 177.210 177.300 -0.399 0.000 1.151 692 P CA 1.070 64.072 63.100 -0.164 0.000 0.828 692 P CB 0.847 32.471 31.700 -0.127 0.000 0.788 693 N N -1.343 117.147 118.700 -0.351 0.000 2.381 693 N HA 0.277 5.020 4.740 0.006 0.000 0.294 693 N C -0.793 174.576 175.510 -0.236 0.000 1.216 693 N CA -0.558 52.254 53.050 -0.397 0.000 0.803 693 N CB 1.698 39.950 38.487 -0.390 0.000 1.372 693 N HN -0.247 nan 8.380 nan 0.000 0.500 694 T N 1.016 115.446 114.554 -0.207 0.000 2.806 694 T HA 0.253 4.606 4.350 0.006 0.000 0.290 694 T C 0.231 174.836 174.700 -0.159 0.000 0.966 694 T CA -0.628 61.382 62.100 -0.150 0.000 1.060 694 T CB 0.687 69.497 68.868 -0.096 0.000 0.927 694 T HN 0.289 nan 8.240 nan 0.000 0.485 695 V N 2.125 121.956 119.914 -0.138 0.000 2.785 695 V HA 0.427 4.551 4.120 0.006 0.000 0.300 695 V C 1.517 177.535 176.094 -0.126 0.000 1.062 695 V CA -0.237 61.984 62.300 -0.130 0.000 1.029 695 V CB 0.781 32.542 31.823 -0.103 0.000 1.024 695 V HN 0.982 nan 8.190 nan 0.000 0.477 696 T N -0.038 114.439 114.554 -0.129 0.000 2.951 696 T HA -0.017 4.336 4.350 0.006 0.000 0.268 696 T C 0.792 175.486 174.700 -0.009 0.000 1.073 696 T CA 0.666 62.722 62.100 -0.074 0.000 1.134 696 T CB -0.525 68.165 68.868 -0.297 0.000 0.884 696 T HN 0.717 nan 8.240 nan 0.000 0.479 697 V N 2.994 122.867 119.914 -0.069 0.000 2.699 697 V HA 0.209 4.332 4.120 0.006 0.000 0.296 697 V C 1.800 177.841 176.094 -0.088 0.000 1.030 697 V CA 1.173 63.438 62.300 -0.059 0.000 1.219 697 V CB -1.379 30.402 31.823 -0.070 0.000 0.848 697 V HN 0.955 nan 8.190 nan 0.000 0.468 698 G N 4.634 113.396 108.800 -0.063 0.000 2.187 698 G HA2 -0.309 3.654 3.960 0.006 0.000 0.261 698 G HA3 -0.309 3.654 3.960 0.006 0.000 0.261 698 G C 0.544 175.262 174.900 -0.304 0.000 1.000 698 G CA 0.536 45.552 45.100 -0.140 0.000 0.718 698 G HN 0.718 nan 8.290 nan 0.000 0.519 699 N N 0.229 118.741 118.700 -0.313 0.000 2.204 699 N HA 0.245 4.988 4.740 0.006 0.000 0.219 699 N C 1.004 176.130 175.510 -0.640 0.000 1.151 699 N CA 0.660 53.348 53.050 -0.603 0.000 0.867 699 N CB 0.763 38.965 38.487 -0.475 0.000 1.043 699 N HN 0.523 nan 8.380 nan 0.000 0.516 700 G N 1.037 109.447 108.800 -0.649 0.000 2.356 700 G HA2 0.451 4.414 3.960 0.006 0.000 0.312 700 G HA3 0.451 4.414 3.960 0.006 0.000 0.312 700 G C 0.222 174.661 174.900 -0.770 0.000 1.096 700 G CA -0.286 43.995 45.100 -1.365 0.000 0.950 700 G HN -0.000 nan 8.290 nan 0.000 0.428 701 V N 1.523 121.036 119.914 -0.667 0.000 2.881 701 V HA 1.061 5.184 4.120 0.006 0.000 0.316 701 V C 0.582 176.515 176.094 -0.267 0.000 1.070 701 V CA 0.173 62.302 62.300 -0.286 0.000 0.976 701 V CB 1.452 33.282 31.823 0.012 0.000 1.038 701 V HN 1.187 nan 8.190 nan 0.000 0.446 702 G N 1.732 110.404 108.800 -0.212 0.000 2.680 702 G HA2 0.583 4.547 3.960 0.006 0.000 0.092 702 G HA3 0.583 4.547 3.960 0.006 0.000 0.092 702 G C -0.849 173.834 174.900 -0.362 0.000 1.097 702 G CA 0.392 45.206 45.100 -0.477 0.000 1.368 702 G HN 2.036 nan 8.290 nan 0.000 0.619 703 F N -2.061 117.680 119.950 -0.348 0.000 2.985 703 F HA 0.726 5.256 4.527 0.006 0.000 0.332 703 F C -2.389 173.205 175.800 -0.343 0.000 1.126 703 F CA -2.298 55.572 58.000 -0.216 0.000 0.884 703 F CB 0.168 39.066 39.000 -0.170 0.000 1.361 703 F HN 0.502 nan 8.300 nan 0.000 0.450 704 F N 1.456 121.528 119.950 0.204 0.000 2.577 704 F HA 0.771 5.301 4.527 0.005 0.000 0.318 704 F C -0.596 175.270 175.800 0.110 0.000 1.065 704 F CA -1.024 57.025 58.000 0.082 0.000 0.929 704 F CB 2.233 41.200 39.000 -0.056 0.000 1.237 704 F HN 0.507 nan 8.300 nan 0.000 0.468 705 L N 3.440 124.846 121.223 0.305 0.000 2.337 705 L HA 0.532 4.876 4.340 0.006 0.000 0.269 705 L C -0.546 176.551 176.870 0.379 0.000 1.018 705 L CA -0.445 54.579 54.840 0.306 0.000 0.876 705 L CB 1.210 43.394 42.059 0.209 0.000 1.236 705 L HN 0.553 nan 8.230 nan 0.000 0.436 706 R N 4.090 124.685 120.500 0.157 0.000 2.407 706 R HA 0.434 4.778 4.340 0.006 0.000 0.303 706 R C -2.423 173.478 176.300 -0.666 0.000 0.981 706 R CA -1.621 54.398 56.100 -0.135 0.000 0.905 706 R CB 1.479 31.709 30.300 -0.116 0.000 1.099 706 R HN 0.239 nan 8.270 nan 0.000 0.459 707 P HA -0.061 nan 4.420 nan 0.000 0.271 707 P C -1.497 175.590 177.300 -0.356 0.000 1.226 707 P CA 0.282 62.749 63.100 -1.054 0.000 0.765 707 P CB 0.454 31.855 31.700 -0.499 0.000 0.835 708 Y N 4.199 124.258 120.300 -0.401 0.000 2.402 708 Y HA 0.236 4.789 4.550 0.006 0.000 0.325 708 Y C 0.456 176.243 175.900 -0.188 0.000 1.009 708 Y CA -0.378 57.564 58.100 -0.263 0.000 1.278 708 Y CB 0.446 38.682 38.460 -0.373 0.000 1.105 708 Y HN 0.368 nan 8.280 nan 0.000 0.476 709 N N 3.709 122.178 118.700 -0.384 0.000 2.714 709 N HA -0.314 4.430 4.740 0.006 0.000 0.250 709 N C 0.345 175.832 175.510 -0.038 0.000 1.117 709 N CA 1.562 54.483 53.050 -0.216 0.000 0.719 709 N CB -1.499 36.805 38.487 -0.306 0.000 1.081 709 N HN 0.766 nan 8.380 nan 0.000 0.557 710 F N -0.317 119.497 119.950 -0.226 0.000 2.387 710 F HA 0.296 4.827 4.527 0.005 0.000 0.294 710 F C 0.745 176.353 175.800 -0.320 0.000 1.093 710 F CA 0.420 58.242 58.000 -0.296 0.000 1.420 710 F CB 0.216 38.907 39.000 -0.515 0.000 1.086 710 F HN -0.013 nan 8.300 nan 0.000 0.531 711 F N 0.223 120.368 119.950 0.324 0.000 2.461 711 F HA 0.258 4.789 4.527 0.006 0.000 0.337 711 F C 1.268 177.177 175.800 0.182 0.000 1.079 711 F CA -0.968 57.189 58.000 0.263 0.000 1.032 711 F CB 0.425 39.593 39.000 0.280 0.000 1.327 711 F HN -0.333 nan 8.300 nan 0.000 0.491 712 D N -0.241 120.420 120.400 0.435 0.000 2.350 712 D HA 0.074 4.717 4.640 0.006 0.000 0.213 712 D C -0.041 176.514 176.300 0.426 0.000 1.031 712 D CA 0.624 54.867 54.000 0.405 0.000 0.861 712 D CB 0.271 41.225 40.800 0.256 0.000 0.926 712 D HN 0.688 nan 8.370 nan 0.000 0.520 713 E N -0.942 119.459 120.200 0.336 0.000 2.310 713 E HA 0.045 4.399 4.350 0.006 0.000 0.264 713 E C -1.578 175.109 176.600 0.144 0.000 1.309 713 E CA -0.797 55.708 56.400 0.175 0.000 0.900 713 E CB 0.240 29.993 29.700 0.087 0.000 1.496 713 E HN -0.273 nan 8.360 nan 0.000 0.433 714 D N 1.924 122.351 120.400 0.044 0.000 2.349 714 D HA 0.122 4.765 4.640 0.006 0.000 0.266 714 D C -1.166 175.147 176.300 0.022 0.000 1.293 714 D CA -2.146 51.869 54.000 0.024 0.000 0.926 714 D CB 1.024 41.828 40.800 0.007 0.000 1.090 714 D HN 0.204 nan 8.370 nan 0.000 0.502 715 P HA -0.155 nan 4.420 nan 0.000 0.229 715 P C 0.783 178.180 177.300 0.161 0.000 1.150 715 P CA 0.673 63.781 63.100 0.014 0.000 0.765 715 P CB 0.054 31.559 31.700 -0.324 0.000 0.783 716 S N -1.995 113.767 115.700 0.104 0.000 2.593 716 S HA -0.037 4.437 4.470 0.006 0.000 0.217 716 S C 1.610 176.235 174.600 0.041 0.000 0.966 716 S CA -0.438 57.823 58.200 0.102 0.000 0.914 716 S CB -1.395 61.868 63.200 0.105 0.000 0.776 716 S HN -0.003 nan 8.310 nan 0.000 0.523 717 F N 2.497 122.332 119.950 -0.191 0.000 2.216 717 F HA 0.049 4.581 4.527 0.007 0.000 0.300 717 F C 1.188 176.751 175.800 -0.395 0.000 1.085 717 F CA 0.626 58.412 58.000 -0.357 0.000 1.326 717 F CB -0.529 38.130 39.000 -0.569 0.000 1.027 717 F HN 0.244 nan 8.300 nan 0.000 0.497 718 Y N -0.126 120.071 120.300 -0.171 0.000 2.471 718 Y HA 0.185 4.738 4.550 0.005 0.000 0.286 718 Y C 1.486 177.288 175.900 -0.164 0.000 1.188 718 Y CA 0.168 58.123 58.100 -0.242 0.000 1.286 718 Y CB -0.744 37.651 38.460 -0.107 0.000 1.072 718 Y HN -0.070 nan 8.280 nan 0.000 0.517 719 S N 0.850 116.534 115.700 -0.027 0.000 2.563 719 S HA 0.135 4.608 4.470 0.006 0.000 0.294 719 S C 1.464 176.053 174.600 -0.019 0.000 1.279 719 S CA 0.214 58.417 58.200 0.005 0.000 1.069 719 S CB 0.777 63.990 63.200 0.021 0.000 0.828 719 S HN 0.502 nan 8.310 nan 0.000 0.497 720 A N 4.040 126.863 122.820 0.006 0.000 2.066 720 A HA 0.034 4.358 4.320 0.006 0.000 0.218 720 A C 1.369 178.964 177.584 0.018 0.000 1.157 720 A CA 1.024 53.064 52.037 0.005 0.000 0.670 720 A CB -0.161 18.848 19.000 0.015 0.000 0.804 720 A HN 0.866 nan 8.150 nan 0.000 0.453 721 D N -0.050 120.368 120.400 0.030 0.000 2.325 721 D HA 0.097 4.740 4.640 0.006 0.000 0.225 721 D C 0.597 176.928 176.300 0.053 0.000 1.096 721 D CA 0.217 54.244 54.000 0.046 0.000 0.844 721 D CB 0.092 40.924 40.800 0.054 0.000 0.925 721 D HN 0.289 nan 8.370 nan 0.000 0.513 722 S N 0.471 116.188 115.700 0.028 0.000 2.584 722 S HA 0.228 4.701 4.470 0.006 0.000 0.270 722 S C -0.057 174.593 174.600 0.082 0.000 1.346 722 S CA -0.258 57.961 58.200 0.031 0.000 1.018 722 S CB 0.519 63.690 63.200 -0.049 0.000 0.899 722 S HN -0.014 nan 8.310 nan 0.000 0.542 723 I N 2.979 123.625 120.570 0.127 0.000 2.608 723 I HA 0.504 4.678 4.170 0.006 0.000 0.295 723 I C -0.826 175.445 176.117 0.256 0.000 1.049 723 I CA -0.534 60.899 61.300 0.222 0.000 1.063 723 I CB 1.491 39.678 38.000 0.312 0.000 1.248 723 I HN 0.816 nan 8.210 nan 0.000 0.424 724 Y N 6.468 126.870 120.300 0.169 0.000 2.609 724 Y HA 0.736 5.289 4.550 0.005 0.000 0.336 724 Y C -1.217 174.844 175.900 0.268 0.000 1.129 724 Y CA -1.145 56.999 58.100 0.074 0.000 1.040 724 Y CB 2.003 40.484 38.460 0.036 0.000 1.310 724 Y HN 0.546 nan 8.280 nan 0.000 0.460 725 F N 0.028 119.454 119.950 -0.872 0.000 3.457 725 F HA 0.618 5.149 4.527 0.006 0.000 0.325 725 F C -2.418 173.119 175.800 -0.438 0.000 1.011 725 F CA -1.721 56.011 58.000 -0.446 0.000 0.819 725 F CB 0.774 39.707 39.000 -0.111 0.000 1.712 725 F HN 0.431 nan 8.300 nan 0.000 0.438 726 R N 0.917 121.589 120.500 0.287 0.000 2.621 726 R HA 0.658 5.001 4.340 0.006 0.000 0.284 726 R C 0.207 176.671 176.300 0.273 0.000 0.998 726 R CA -0.565 55.652 56.100 0.194 0.000 0.895 726 R CB 1.669 32.047 30.300 0.131 0.000 1.195 726 R HN 1.742 nan 8.270 nan 0.000 0.450 727 G N 2.465 111.391 108.800 0.210 0.000 2.742 727 G HA2 -0.314 3.649 3.960 0.006 0.000 0.255 727 G HA3 -0.314 3.649 3.960 0.006 0.000 0.255 727 G C -0.678 174.341 174.900 0.200 0.000 1.322 727 G CA 0.426 45.621 45.100 0.159 0.000 0.967 727 G HN 0.664 nan 8.290 nan 0.000 0.556 728 D N 0.299 120.750 120.400 0.085 0.000 2.384 728 D HA 0.793 5.436 4.640 0.006 0.000 0.250 728 D C 0.270 176.416 176.300 -0.255 0.000 1.029 728 D CA 1.672 55.674 54.000 0.004 0.000 0.990 728 D CB 1.426 42.207 40.800 -0.031 0.000 1.175 728 D HN 1.482 nan 8.370 nan 0.000 0.532 729 Q N 0.000 119.603 119.800 -0.328 0.000 2.315 729 Q HA 0.000 4.343 4.340 0.006 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