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 1j70_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMPAPHGGIL QDLIARDALK KNELLSEAQS SDILVWNLTP RQLCDIELIL DATA SEQUENCE NGGFSPLTGF LNENDYSSVV TDSRLADGTL WTIPITLDVD EAFANQIKPD DATA SEQUENCE TRIALFQDDE IPIAILTVQD VYKPNKTIEA EKVFRGDPEH PAISYLFNVA DATA SEQUENCE GDYYVGGSLE AIQLPQHYDY PGLRKTPAQL RLEFQSRQWD RVVAFQTRNP DATA SEQUENCE MHRAHRELTV RAAREANAKV LIHPVVGLTK PGDIDHHTRV RVYQEIIKRY DATA SEQUENCE PNGIAFLSLL PLAMRMSGDR EAVWHAIIRK NYGASHFIVG RDHAGPGKNS DATA SEQUENCE KGVDFYGPYD AQELVESYKH ELDIEVVPFR MVTYLPDEDR YAPIDQIDTT DATA SEQUENCE KTRTLNISGT ELRRRLRVGG EIPEWFSYPE VVKILRESNP PRPKQGFSIV DATA SEQUENCE LGNSLTVSRE QLSIALLSTF LQFGGGRYYK IFEHNNKTEL LSLIQDFIGS DATA SEQUENCE GSGLIIPNQW EDDKDSVVGK QNVYLLDTSS SADIQLESAD EPISHIVQKV DATA SEQUENCE VLFLEDNGFF VF 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.360 175.328 0.053 0.000 0.993 0 H CA 0.000 56.075 56.048 0.045 0.000 1.023 0 H CB 0.000 29.793 29.762 0.052 0.000 1.292 1 M N 4.983 124.683 119.600 0.167 0.000 2.356 1 M HA 0.159 4.639 4.480 -0.000 0.000 0.348 1 M C -2.240 174.127 176.300 0.112 0.000 1.595 1 M CA -0.971 54.413 55.300 0.141 0.000 1.095 1 M CB 0.413 33.099 32.600 0.143 0.000 1.963 1 M HN -0.166 nan 8.290 nan 0.000 0.459 2 P HA 0.094 nan 4.420 nan 0.000 0.267 2 P C -1.190 176.161 177.300 0.084 0.000 1.200 2 P CA -0.108 63.047 63.100 0.091 0.000 0.772 2 P CB 0.528 32.283 31.700 0.091 0.000 0.855 3 A N 4.736 127.599 122.820 0.071 0.000 2.304 3 A HA 0.497 4.817 4.320 -0.000 0.000 0.271 3 A C -2.164 175.467 177.584 0.077 0.000 1.091 3 A CA -1.373 50.700 52.037 0.060 0.000 0.812 3 A CB -0.874 18.153 19.000 0.046 0.000 1.056 3 A HN 0.399 nan 8.150 nan 0.000 0.489 4 P HA 0.054 nan 4.420 nan 0.000 0.270 4 P C -0.470 176.918 177.300 0.147 0.000 1.227 4 P CA 0.213 63.369 63.100 0.093 0.000 0.788 4 P CB 0.222 31.954 31.700 0.054 0.000 0.926 5 H N 0.959 120.071 119.070 0.071 0.000 3.026 5 H HA 0.316 4.872 4.556 -0.000 0.000 0.289 5 H C 1.471 176.838 175.328 0.066 0.000 1.022 5 H CA 1.700 57.801 56.048 0.088 0.000 1.477 5 H CB -0.930 28.925 29.762 0.155 0.000 1.510 5 H HN 0.673 nan 8.280 nan 0.000 0.535 6 G N 2.778 111.493 108.800 -0.141 0.000 2.159 6 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.227 6 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.227 6 G C 1.225 176.091 174.900 -0.056 0.000 0.986 6 G CA 0.663 45.672 45.100 -0.151 0.000 0.651 6 G HN 1.665 nan 8.290 nan 0.000 0.523 7 G N -1.028 107.766 108.800 -0.010 0.000 2.284 7 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.247 7 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.247 7 G C 0.297 175.197 174.900 0.001 0.000 1.012 7 G CA 0.711 45.811 45.100 -0.001 0.000 0.618 7 G HN 1.500 nan 8.290 nan 0.000 0.521 8 I N 0.561 121.128 120.570 -0.004 0.000 2.569 8 I HA 0.428 4.598 4.170 -0.000 0.000 0.290 8 I C -0.315 175.797 176.117 -0.008 0.000 1.088 8 I CA -1.121 60.174 61.300 -0.009 0.000 1.047 8 I CB 2.081 40.069 38.000 -0.019 0.000 1.237 8 I HN 0.065 nan 8.210 nan 0.000 0.421 9 L N 6.596 127.810 121.223 -0.016 0.000 2.530 9 L HA 0.100 4.440 4.340 -0.000 0.000 0.273 9 L C 0.569 177.416 176.870 -0.038 0.000 1.141 9 L CA 0.390 55.212 54.840 -0.030 0.000 0.905 9 L CB -0.000 42.029 42.059 -0.050 0.000 1.202 9 L HN 0.490 nan 8.230 nan 0.000 0.473 10 Q N 3.222 123.001 119.800 -0.034 0.000 3.223 10 Q HA 0.026 4.366 4.340 -0.000 0.000 0.299 10 Q C -0.446 175.521 176.000 -0.055 0.000 1.385 10 Q CA 0.072 55.851 55.803 -0.040 0.000 0.942 10 Q CB -0.505 28.212 28.738 -0.035 0.000 1.748 10 Q HN 0.541 nan 8.270 nan 0.000 0.523 11 D N 1.395 121.758 120.400 -0.062 0.000 2.498 11 D HA 0.007 4.647 4.640 -0.000 0.000 0.229 11 D C 0.959 177.224 176.300 -0.058 0.000 1.188 11 D CA -0.040 53.917 54.000 -0.072 0.000 1.028 11 D CB 0.158 40.913 40.800 -0.075 0.000 1.087 11 D HN 0.323 nan 8.370 nan 0.000 0.510 12 L N 2.955 124.145 121.223 -0.056 0.000 2.191 12 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 12 L C 2.055 178.898 176.870 -0.044 0.000 1.103 12 L CA 0.323 55.136 54.840 -0.045 0.000 0.769 12 L CB -0.247 41.787 42.059 -0.042 0.000 0.908 12 L HN 0.453 nan 8.230 nan 0.000 0.438 13 I N 0.686 121.226 120.570 -0.051 0.000 2.226 13 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 13 I C 2.794 178.885 176.117 -0.043 0.000 1.100 13 I CA 1.674 62.945 61.300 -0.048 0.000 1.374 13 I CB -1.143 36.825 38.000 -0.053 0.000 1.057 13 I HN 0.176 nan 8.210 nan 0.000 0.413 14 A N 1.294 124.086 122.820 -0.046 0.000 1.968 14 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 14 A C 2.332 179.895 177.584 -0.035 0.000 1.169 14 A CA 1.440 53.452 52.037 -0.041 0.000 0.638 14 A CB -0.480 18.492 19.000 -0.046 0.000 0.812 14 A HN 0.505 nan 8.150 nan 0.000 0.446 15 R N -0.361 120.118 120.500 -0.035 0.000 2.153 15 R HA 0.001 4.341 4.340 -0.000 0.000 0.218 15 R C -0.050 176.235 176.300 -0.025 0.000 1.072 15 R CA 1.721 57.803 56.100 -0.030 0.000 0.990 15 R CB -0.293 29.990 30.300 -0.030 0.000 0.889 15 R HN 0.212 nan 8.270 nan 0.000 0.452 16 D N 0.495 120.879 120.400 -0.027 0.000 2.427 16 D HA 0.244 4.884 4.640 -0.000 0.000 0.224 16 D C 1.042 177.328 176.300 -0.024 0.000 1.157 16 D CA 0.489 54.476 54.000 -0.023 0.000 0.828 16 D CB 0.997 41.783 40.800 -0.022 0.000 0.974 16 D HN 0.372 nan 8.370 nan 0.000 0.498 17 A N 0.697 123.501 122.820 -0.025 0.000 1.873 17 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 17 A C 2.146 179.717 177.584 -0.021 0.000 1.193 17 A CA 1.093 53.115 52.037 -0.025 0.000 0.629 17 A CB -0.709 18.275 19.000 -0.026 0.000 0.826 17 A HN 0.299 nan 8.150 nan 0.000 0.447 18 L N -1.025 120.187 121.223 -0.018 0.000 2.127 18 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 18 L C 1.955 178.817 176.870 -0.013 0.000 1.089 18 L CA 1.615 56.446 54.840 -0.015 0.000 0.757 18 L CB -0.412 41.639 42.059 -0.013 0.000 0.899 18 L HN 0.335 nan 8.230 nan 0.000 0.434 19 K N -0.148 120.244 120.400 -0.014 0.000 2.417 19 K HA -0.019 4.301 4.320 -0.000 0.000 0.196 19 K C 1.625 178.217 176.600 -0.013 0.000 1.023 19 K CA -0.114 56.166 56.287 -0.011 0.000 1.122 19 K CB 0.213 32.708 32.500 -0.010 0.000 0.850 19 K HN 0.182 nan 8.250 nan 0.000 0.521 20 K N 1.826 122.216 120.400 -0.017 0.000 1.987 20 K HA -0.206 4.114 4.320 -0.000 0.000 0.216 20 K C 1.506 178.095 176.600 -0.018 0.000 1.051 20 K CA 1.800 58.074 56.287 -0.022 0.000 0.942 20 K CB 0.025 32.511 32.500 -0.025 0.000 0.722 20 K HN 0.128 nan 8.250 nan 0.000 0.444 21 N N 0.902 119.594 118.700 -0.013 0.000 2.149 21 N HA -0.217 4.523 4.740 -0.000 0.000 0.188 21 N C 1.755 177.262 175.510 -0.004 0.000 1.019 21 N CA 1.305 54.350 53.050 -0.008 0.000 0.857 21 N CB -0.258 38.226 38.487 -0.005 0.000 0.997 21 N HN 0.435 nan 8.380 nan 0.000 0.426 22 E N 1.018 121.216 120.200 -0.004 0.000 2.031 22 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 22 E C 2.087 178.688 176.600 0.002 0.000 0.994 22 E CA 0.757 57.157 56.400 0.000 0.000 0.800 22 E CB -0.015 29.684 29.700 -0.001 0.000 0.752 22 E HN 0.255 nan 8.360 nan 0.000 0.447 23 L N 0.495 121.715 121.223 -0.005 0.000 2.056 23 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 23 L C 2.655 179.518 176.870 -0.012 0.000 1.078 23 L CA 0.359 55.195 54.840 -0.007 0.000 0.749 23 L CB -0.396 41.653 42.059 -0.016 0.000 0.901 23 L HN 0.277 nan 8.230 nan 0.000 0.433 24 L N -0.456 120.756 121.223 -0.019 0.000 1.990 24 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 24 L C 2.620 179.495 176.870 0.007 0.000 1.072 24 L CA 1.987 56.813 54.840 -0.024 0.000 0.755 24 L CB -0.621 41.425 42.059 -0.021 0.000 0.889 24 L HN 0.122 nan 8.230 nan 0.000 0.432 25 S N -0.610 115.100 115.700 0.016 0.000 2.353 25 S HA -0.279 4.190 4.470 -0.000 0.000 0.222 25 S C 1.845 176.473 174.600 0.046 0.000 1.035 25 S CA 1.490 59.708 58.200 0.031 0.000 1.025 25 S CB -0.506 62.708 63.200 0.022 0.000 0.902 25 S HN 0.651 nan 8.310 nan 0.000 0.440 26 E N 1.409 121.632 120.200 0.038 0.000 2.097 26 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 26 E C 2.027 178.676 176.600 0.082 0.000 1.000 26 E CA 1.229 57.660 56.400 0.050 0.000 0.804 26 E CB -0.294 29.429 29.700 0.039 0.000 0.740 26 E HN 0.484 nan 8.360 nan 0.000 0.454 27 A N 0.604 123.470 122.820 0.078 0.000 1.930 27 A HA -0.147 4.172 4.320 -0.000 0.000 0.217 27 A C 1.808 179.560 177.584 0.281 0.000 1.175 27 A CA 1.281 53.399 52.037 0.135 0.000 0.627 27 A CB -0.226 18.753 19.000 -0.035 0.000 0.815 27 A HN 0.352 nan 8.150 nan 0.000 0.443 28 Q N 0.730 120.646 119.800 0.193 0.000 2.225 28 Q HA 0.138 4.478 4.340 -0.000 0.000 0.222 28 Q C -0.122 175.950 176.000 0.121 0.000 0.887 28 Q CA 0.083 56.009 55.803 0.204 0.000 0.958 28 Q CB 0.073 28.899 28.738 0.147 0.000 1.058 28 Q HN 0.667 nan 8.270 nan 0.000 0.459 29 S N -0.960 114.805 115.700 0.109 0.000 2.565 29 S HA 0.242 4.711 4.470 -0.000 0.000 0.290 29 S C 1.032 175.667 174.600 0.058 0.000 1.150 29 S CA -0.531 57.710 58.200 0.068 0.000 1.058 29 S CB 1.793 65.028 63.200 0.058 0.000 1.032 29 S HN 0.220 nan 8.310 nan 0.000 0.510 30 S N 0.123 115.844 115.700 0.035 0.000 2.561 30 S HA -0.059 4.411 4.470 -0.000 0.000 0.225 30 S C 0.881 175.495 174.600 0.022 0.000 0.977 30 S CA 0.897 59.109 58.200 0.020 0.000 0.926 30 S CB -0.528 62.678 63.200 0.010 0.000 0.769 30 S HN 0.834 nan 8.310 nan 0.000 0.533 31 D N 0.700 121.117 120.400 0.029 0.000 2.355 31 D HA 0.209 4.849 4.640 -0.000 0.000 0.218 31 D C 0.270 176.591 176.300 0.035 0.000 1.004 31 D CA -0.014 54.001 54.000 0.026 0.000 0.880 31 D CB 0.057 40.871 40.800 0.023 0.000 0.911 31 D HN 0.542 nan 8.370 nan 0.000 0.528 32 I N 0.796 121.399 120.570 0.055 0.000 2.392 32 I HA 0.211 4.381 4.170 -0.000 0.000 0.295 32 I C -0.681 175.492 176.117 0.093 0.000 0.985 32 I CA -1.089 60.258 61.300 0.078 0.000 1.221 32 I CB 1.051 39.118 38.000 0.112 0.000 1.366 32 I HN -0.190 nan 8.210 nan 0.000 0.467 33 L N 7.995 129.278 121.223 0.100 0.000 2.453 33 L HA 0.244 4.583 4.340 -0.000 0.000 0.272 33 L C -0.599 176.427 176.870 0.259 0.000 1.182 33 L CA 0.489 55.413 54.840 0.140 0.000 0.858 33 L CB 1.057 43.157 42.059 0.068 0.000 1.120 33 L HN 0.323 nan 8.230 nan 0.000 0.474 34 V N 5.061 125.136 119.914 0.269 0.000 2.513 34 V HA 0.405 4.525 4.120 -0.000 0.000 0.299 34 V C -0.770 175.509 176.094 0.307 0.000 1.035 34 V CA -0.749 61.697 62.300 0.243 0.000 0.889 34 V CB 1.771 33.552 31.823 -0.070 0.000 0.988 34 V HN 0.814 nan 8.190 nan 0.000 0.440 35 W N 5.497 126.830 121.300 0.055 0.000 2.619 35 W HA 0.418 5.078 4.660 -0.000 0.000 0.327 35 W C -0.926 175.541 176.519 -0.087 0.000 1.027 35 W CA -0.774 56.426 57.345 -0.241 0.000 1.233 35 W CB 1.704 30.846 29.460 -0.530 0.000 1.370 35 W HN 0.686 nan 8.180 nan 0.000 0.453 36 N N 5.569 123.721 118.700 -0.912 0.000 2.422 36 N HA 0.235 4.975 4.740 -0.000 0.000 0.264 36 N C -0.330 174.764 175.510 -0.692 0.000 1.063 36 N CA -0.357 52.346 53.050 -0.577 0.000 0.959 36 N CB 0.867 39.075 38.487 -0.465 0.000 1.087 36 N HN 0.406 nan 8.380 nan 0.000 0.483 37 L N 2.723 123.842 121.223 -0.174 0.000 2.453 37 L HA 0.103 4.443 4.340 -0.000 0.000 0.272 37 L C 1.322 178.196 176.870 0.007 0.000 1.182 37 L CA -0.334 54.530 54.840 0.040 0.000 0.858 37 L CB 0.579 42.721 42.059 0.138 0.000 1.120 37 L HN 0.597 nan 8.230 nan 0.000 0.474 38 T N -0.169 114.445 114.554 0.101 0.000 2.849 38 T HA 0.231 4.580 4.350 -0.000 0.000 0.284 38 T C -1.822 172.955 174.700 0.129 0.000 1.004 38 T CA -1.676 60.483 62.100 0.098 0.000 1.021 38 T CB 1.237 70.210 68.868 0.175 0.000 1.013 38 T HN 0.328 nan 8.240 nan 0.000 0.527 39 P HA -0.145 nan 4.420 nan 0.000 0.215 39 P C 1.764 179.142 177.300 0.129 0.000 1.163 39 P CA 1.068 64.237 63.100 0.114 0.000 0.894 39 P CB 0.020 31.787 31.700 0.111 0.000 0.791 40 R N -0.010 120.584 120.500 0.156 0.000 2.096 40 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 40 R C 2.163 178.581 176.300 0.197 0.000 1.127 40 R CA 1.630 57.807 56.100 0.129 0.000 0.968 40 R CB -0.424 29.904 30.300 0.047 0.000 0.861 40 R HN 0.298 nan 8.270 nan 0.000 0.440 41 Q N 0.180 120.121 119.800 0.236 0.000 2.119 41 Q HA -0.127 4.213 4.340 -0.000 0.000 0.201 41 Q C 2.292 178.452 176.000 0.265 0.000 0.972 41 Q CA 1.195 57.176 55.803 0.296 0.000 0.847 41 Q CB -0.039 28.866 28.738 0.277 0.000 0.903 41 Q HN 0.353 nan 8.270 nan 0.000 0.433 42 L N -0.166 121.165 121.223 0.180 0.000 2.046 42 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 42 L C 2.474 179.404 176.870 0.101 0.000 1.077 42 L CA 0.921 55.834 54.840 0.122 0.000 0.747 42 L CB -0.285 41.818 42.059 0.074 0.000 0.896 42 L HN 0.397 nan 8.230 nan 0.000 0.432 43 C N -0.504 118.860 119.300 0.106 0.000 2.432 43 C HA -0.161 4.299 4.460 -0.000 0.000 0.277 43 C C 2.386 177.410 174.990 0.056 0.000 1.249 43 C CA 0.539 59.598 59.018 0.069 0.000 1.725 43 C CB -0.802 26.980 27.740 0.070 0.000 2.028 43 C HN 0.545 nan 8.230 nan 0.000 0.477 44 D N 0.593 121.098 120.400 0.175 0.000 2.092 44 D HA -0.118 4.522 4.640 -0.000 0.000 0.193 44 D C 1.867 178.197 176.300 0.050 0.000 0.994 44 D CA 0.987 55.137 54.000 0.250 0.000 0.828 44 D CB -0.496 40.565 40.800 0.435 0.000 0.963 44 D HN 0.447 nan 8.370 nan 0.000 0.450 45 I N 0.596 121.241 120.570 0.125 0.000 2.454 45 I HA -0.240 3.930 4.170 -0.000 0.000 0.254 45 I C 2.119 178.208 176.117 -0.047 0.000 1.156 45 I CA 1.142 62.476 61.300 0.056 0.000 1.433 45 I CB 0.069 38.216 38.000 0.245 0.000 1.082 45 I HN 0.030 nan 8.210 nan 0.000 0.432 46 E N 0.361 120.525 120.200 -0.060 0.000 2.072 46 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 46 E C 2.135 178.624 176.600 -0.186 0.000 0.985 46 E CA 0.915 57.262 56.400 -0.088 0.000 0.801 46 E CB 0.070 29.748 29.700 -0.037 0.000 0.750 46 E HN 0.336 nan 8.360 nan 0.000 0.452 47 L N 1.013 122.016 121.223 -0.368 0.000 2.201 47 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 47 L C 2.169 178.755 176.870 -0.474 0.000 1.105 47 L CA 1.216 55.685 54.840 -0.618 0.000 0.775 47 L CB -0.732 40.427 42.059 -1.500 0.000 0.913 47 L HN 0.351 nan 8.230 nan 0.000 0.440 48 I N -0.741 119.633 120.570 -0.325 0.000 2.141 48 I HA -0.300 3.870 4.170 -0.000 0.000 0.236 48 I C 2.381 178.432 176.117 -0.110 0.000 1.071 48 I CA 0.873 62.096 61.300 -0.128 0.000 1.345 48 I CB -0.334 37.578 38.000 -0.147 0.000 1.066 48 I HN 0.112 nan 8.210 nan 0.000 0.406 49 L N 0.524 121.683 121.223 -0.106 0.000 2.129 49 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 49 L C 2.229 179.044 176.870 -0.092 0.000 1.087 49 L CA 1.654 56.447 54.840 -0.079 0.000 0.757 49 L CB -0.979 41.042 42.059 -0.062 0.000 0.896 49 L HN 0.431 nan 8.230 nan 0.000 0.434 50 N N -0.445 118.182 118.700 -0.121 0.000 2.188 50 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 50 N C 1.403 176.812 175.510 -0.167 0.000 1.018 50 N CA 0.962 53.926 53.050 -0.143 0.000 0.858 50 N CB 0.177 38.564 38.487 -0.166 0.000 0.989 50 N HN 0.412 nan 8.380 nan 0.000 0.426 51 G N -1.305 107.411 108.800 -0.141 0.000 2.179 51 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 51 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 51 G C 0.820 175.659 174.900 -0.101 0.000 0.990 51 G CA 0.358 45.394 45.100 -0.107 0.000 0.646 51 G HN 0.499 nan 8.290 nan 0.000 0.517 52 G N 0.197 108.892 108.800 -0.174 0.000 2.442 52 G HA2 0.006 3.966 3.960 -0.000 0.000 0.219 52 G HA3 0.006 3.966 3.960 -0.000 0.000 0.219 52 G C 1.201 176.269 174.900 0.281 0.000 1.141 52 G CA 1.103 46.143 45.100 -0.100 0.000 0.763 52 G HN 0.583 nan 8.290 nan 0.000 0.554 53 F N 1.711 121.750 119.950 0.148 0.000 2.713 53 F HA 0.246 4.773 4.527 -0.000 0.000 0.294 53 F C 0.844 176.757 175.800 0.189 0.000 1.152 53 F CA -0.996 57.212 58.000 0.346 0.000 1.385 53 F CB 0.299 39.494 39.000 0.324 0.000 0.981 53 F HN -0.074 nan 8.300 nan 0.000 0.514 54 S N 2.960 118.840 115.700 0.300 0.000 2.558 54 S HA -0.031 4.439 4.470 -0.000 0.000 0.291 54 S C -1.305 173.437 174.600 0.235 0.000 1.306 54 S CA -0.656 57.642 58.200 0.162 0.000 1.056 54 S CB 0.493 63.765 63.200 0.120 0.000 0.836 54 S HN 0.197 nan 8.310 nan 0.000 0.504 55 P HA 0.138 nan 4.420 nan 0.000 0.256 55 P C -0.171 177.043 177.300 -0.144 0.000 1.384 55 P CA 0.019 63.080 63.100 -0.065 0.000 0.879 55 P CB 0.026 31.663 31.700 -0.104 0.000 1.403 56 L N -0.122 120.966 121.223 -0.226 0.000 2.499 56 L HA 0.055 4.395 4.340 -0.000 0.000 0.281 56 L C 1.317 178.109 176.870 -0.129 0.000 1.234 56 L CA 0.842 55.528 54.840 -0.256 0.000 0.839 56 L CB -0.207 41.661 42.059 -0.318 0.000 1.104 56 L HN -0.070 nan 8.230 nan 0.000 0.500 57 T N 0.054 114.533 114.554 -0.125 0.000 3.087 57 T HA 0.332 4.682 4.350 -0.000 0.000 0.283 57 T C 0.258 174.916 174.700 -0.071 0.000 0.956 57 T CA 0.278 62.330 62.100 -0.080 0.000 0.894 57 T CB 0.960 69.791 68.868 -0.061 0.000 1.160 57 T HN 0.909 nan 8.240 nan 0.000 0.532 58 G N 0.538 109.273 108.800 -0.108 0.000 2.427 58 G HA2 0.514 4.474 3.960 -0.000 0.000 0.306 58 G HA3 0.514 4.474 3.960 -0.000 0.000 0.306 58 G C -1.943 172.857 174.900 -0.166 0.000 1.280 58 G CA -0.874 44.179 45.100 -0.079 0.000 0.837 58 G HN 0.062 nan 8.290 nan 0.000 0.482 59 F N 0.996 120.957 119.950 0.018 0.000 2.399 59 F HA 0.473 5.000 4.527 -0.000 0.000 0.342 59 F C 1.319 177.124 175.800 0.009 0.000 1.106 59 F CA -0.502 57.505 58.000 0.012 0.000 1.196 59 F CB 0.932 39.927 39.000 -0.009 0.000 1.163 59 F HN 0.134 nan 8.300 nan 0.000 0.547 60 L N 3.525 124.831 121.223 0.139 0.000 2.559 60 L HA -0.045 4.295 4.340 -0.000 0.000 0.282 60 L C 0.185 177.189 176.870 0.223 0.000 1.232 60 L CA -0.269 54.645 54.840 0.122 0.000 0.885 60 L CB -0.091 42.047 42.059 0.131 0.000 1.131 60 L HN 0.684 nan 8.230 nan 0.000 0.498 61 N N 0.845 119.636 118.700 0.152 0.000 2.463 61 N HA 0.038 4.777 4.740 -0.000 0.000 0.270 61 N C 0.507 176.015 175.510 -0.003 0.000 1.205 61 N CA -0.754 52.381 53.050 0.142 0.000 0.974 61 N CB 0.578 39.096 38.487 0.051 0.000 1.197 61 N HN 0.598 nan 8.380 nan 0.000 0.504 62 E N 0.161 120.072 120.200 -0.481 0.000 2.147 62 E HA -0.360 3.990 4.350 -0.000 0.000 0.199 62 E C 0.698 177.175 176.600 -0.204 0.000 1.005 62 E CA 1.663 57.572 56.400 -0.820 0.000 0.810 62 E CB -0.107 28.902 29.700 -1.151 0.000 0.736 62 E HN 0.630 nan 8.360 nan 0.000 0.460 63 N N 0.534 119.154 118.700 -0.133 0.000 2.084 63 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 63 N C 1.341 176.834 175.510 -0.028 0.000 1.030 63 N CA 1.576 54.587 53.050 -0.066 0.000 0.849 63 N CB -0.093 38.360 38.487 -0.057 0.000 1.012 63 N HN 0.208 nan 8.380 nan 0.000 0.423 64 D N -0.888 119.509 120.400 -0.005 0.000 2.123 64 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 64 D C 1.746 178.070 176.300 0.039 0.000 0.976 64 D CA 0.586 54.582 54.000 -0.006 0.000 0.831 64 D CB -0.362 40.418 40.800 -0.034 0.000 0.974 64 D HN 0.290 nan 8.370 nan 0.000 0.469 65 Y N 2.097 122.394 120.300 -0.004 0.000 2.151 65 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 65 Y C 2.370 178.289 175.900 0.032 0.000 1.166 65 Y CA 1.847 59.985 58.100 0.065 0.000 1.163 65 Y CB -0.316 38.270 38.460 0.210 0.000 0.974 65 Y HN -0.152 nan 8.280 nan 0.000 0.511 66 S N -0.999 114.645 115.700 -0.093 0.000 2.368 66 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 66 S C 2.209 176.707 174.600 -0.169 0.000 1.029 66 S CA 1.177 59.264 58.200 -0.188 0.000 0.988 66 S CB -0.631 62.536 63.200 -0.054 0.000 0.838 66 S HN 0.560 nan 8.310 nan 0.000 0.462 67 S N 0.805 116.444 115.700 -0.101 0.000 2.382 67 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 67 S C 1.864 176.411 174.600 -0.088 0.000 1.027 67 S CA 0.951 59.105 58.200 -0.077 0.000 0.991 67 S CB -0.289 62.882 63.200 -0.049 0.000 0.823 67 S HN 0.302 nan 8.310 nan 0.000 0.469 68 V N 1.104 120.957 119.914 -0.102 0.000 2.358 68 V HA -0.086 4.034 4.120 -0.000 0.000 0.246 68 V C 2.402 178.389 176.094 -0.178 0.000 1.047 68 V CA 1.583 63.831 62.300 -0.086 0.000 1.035 68 V CB -0.555 31.259 31.823 -0.015 0.000 0.658 68 V HN 0.388 nan 8.190 nan 0.000 0.452 69 V N 0.869 120.603 119.914 -0.300 0.000 2.343 69 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 69 V C 2.628 178.599 176.094 -0.205 0.000 1.051 69 V CA 2.604 64.707 62.300 -0.328 0.000 1.036 69 V CB -0.846 30.689 31.823 -0.480 0.000 0.654 69 V HN 0.827 nan 8.190 nan 0.000 0.451 70 T N -3.865 110.595 114.554 -0.157 0.000 3.037 70 T HA 0.032 4.382 4.350 -0.000 0.000 0.252 70 T C 0.963 175.626 174.700 -0.062 0.000 1.073 70 T CA 0.801 62.843 62.100 -0.096 0.000 1.091 70 T CB 0.094 68.915 68.868 -0.077 0.000 0.935 70 T HN 0.409 nan 8.240 nan 0.000 0.488 71 D N 0.361 120.725 120.400 -0.060 0.000 2.520 71 D HA 0.302 4.942 4.640 -0.000 0.000 0.223 71 D C 0.307 176.595 176.300 -0.021 0.000 1.186 71 D CA -0.056 53.928 54.000 -0.026 0.000 0.821 71 D CB 0.442 41.230 40.800 -0.021 0.000 1.072 71 D HN 0.209 nan 8.370 nan 0.000 0.518 72 S N 0.394 116.065 115.700 -0.048 0.000 3.587 72 S HA -0.236 4.233 4.470 -0.000 0.000 0.337 72 S C 0.278 174.849 174.600 -0.048 0.000 1.119 72 S CA 0.801 58.965 58.200 -0.060 0.000 0.976 72 S CB -0.846 62.334 63.200 -0.033 0.000 0.922 72 S HN 0.391 nan 8.310 nan 0.000 0.503 73 R N -0.967 119.527 120.500 -0.010 0.000 2.739 73 R HA 0.640 4.980 4.340 -0.000 0.000 0.271 73 R C -0.375 175.941 176.300 0.027 0.000 1.010 73 R CA -0.979 55.134 56.100 0.021 0.000 0.897 73 R CB 1.022 31.316 30.300 -0.010 0.000 1.236 73 R HN 0.115 nan 8.270 nan 0.000 0.466 74 L N 0.982 122.220 121.223 0.026 0.000 2.475 74 L HA 0.229 4.569 4.340 -0.000 0.000 0.253 74 L C 1.627 178.473 176.870 -0.040 0.000 1.198 74 L CA 0.084 54.903 54.840 -0.035 0.000 0.814 74 L CB 0.656 42.660 42.059 -0.093 0.000 1.134 74 L HN 0.908 nan 8.230 nan 0.000 0.478 75 A N 0.789 123.579 122.820 -0.050 0.000 2.032 75 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 75 A C 1.460 179.020 177.584 -0.040 0.000 1.165 75 A CA 1.901 53.912 52.037 -0.042 0.000 0.645 75 A CB -0.623 18.351 19.000 -0.043 0.000 0.807 75 A HN 0.910 nan 8.150 nan 0.000 0.453 76 D N -2.521 117.851 120.400 -0.047 0.000 2.325 76 D HA 0.287 4.926 4.640 -0.000 0.000 0.225 76 D C 1.116 177.392 176.300 -0.039 0.000 1.096 76 D CA 0.870 54.844 54.000 -0.044 0.000 0.844 76 D CB -0.426 40.342 40.800 -0.054 0.000 0.925 76 D HN 0.752 nan 8.370 nan 0.000 0.513 77 G N 0.079 108.860 108.800 -0.032 0.000 2.195 77 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 77 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 77 G C 0.470 175.355 174.900 -0.024 0.000 0.984 77 G CA 0.236 45.323 45.100 -0.023 0.000 0.633 77 G HN 0.430 nan 8.290 nan 0.000 0.525 78 T N 2.447 116.978 114.554 -0.040 0.000 2.867 78 T HA 0.406 4.756 4.350 -0.000 0.000 0.297 78 T C 1.032 175.768 174.700 0.060 0.000 0.989 78 T CA -0.091 61.980 62.100 -0.049 0.000 1.159 78 T CB 0.855 69.647 68.868 -0.126 0.000 0.928 78 T HN 0.353 nan 8.240 nan 0.000 0.538 79 L N 4.297 125.581 121.223 0.101 0.000 2.559 79 L HA 0.129 4.469 4.340 -0.000 0.000 0.274 79 L C 0.009 177.061 176.870 0.304 0.000 1.205 79 L CA 0.361 55.243 54.840 0.070 0.000 0.907 79 L CB 0.168 42.176 42.059 -0.084 0.000 1.153 79 L HN 0.641 nan 8.230 nan 0.000 0.490 80 W N 4.019 125.267 121.300 -0.086 0.000 3.473 80 W HA 0.090 4.750 4.660 -0.000 0.000 0.324 80 W C 0.224 176.638 176.519 -0.175 0.000 1.099 80 W CA -0.454 56.837 57.345 -0.091 0.000 1.277 80 W CB 1.677 31.096 29.460 -0.068 0.000 1.216 80 W HN 0.628 nan 8.180 nan 0.000 0.423 81 T N 1.137 115.370 114.554 -0.536 0.000 3.022 81 T HA 0.253 4.603 4.350 -0.000 0.000 0.250 81 T C 0.488 174.881 174.700 -0.512 0.000 1.060 81 T CA 0.335 62.193 62.100 -0.403 0.000 1.013 81 T CB 0.627 69.318 68.868 -0.295 0.000 0.982 81 T HN 0.125 nan 8.240 nan 0.000 0.508 82 I N 2.897 122.947 120.570 -0.865 0.000 2.382 82 I HA 0.457 4.627 4.170 -0.000 0.000 0.286 82 I C -2.893 172.988 176.117 -0.393 0.000 1.002 82 I CA -3.595 57.217 61.300 -0.814 0.000 1.135 82 I CB 1.318 38.326 38.000 -1.654 0.000 1.288 82 I HN -0.115 nan 8.210 nan 0.000 0.448 83 P HA 0.164 nan 4.420 nan 0.000 0.266 83 P C -0.448 176.887 177.300 0.058 0.000 1.215 83 P CA 0.046 63.188 63.100 0.070 0.000 0.763 83 P CB 0.415 32.221 31.700 0.177 0.000 0.806 84 I N 4.140 124.782 120.570 0.120 0.000 2.412 84 I HA 0.207 4.377 4.170 -0.000 0.000 0.279 84 I C 0.668 176.878 176.117 0.155 0.000 1.063 84 I CA -0.130 61.247 61.300 0.128 0.000 1.193 84 I CB 0.337 38.416 38.000 0.130 0.000 1.370 84 I HN 0.296 nan 8.210 nan 0.000 0.479 85 T N 2.977 117.577 114.554 0.075 0.000 2.924 85 T HA 0.622 4.972 4.350 -0.000 0.000 0.291 85 T C -0.485 174.189 174.700 -0.043 0.000 1.045 85 T CA -0.815 61.236 62.100 -0.082 0.000 1.015 85 T CB 2.540 70.872 68.868 -0.894 0.000 1.103 85 T HN 0.194 nan 8.240 nan 0.000 0.496 86 L N 3.668 124.734 121.223 -0.262 0.000 2.314 86 L HA 0.327 4.667 4.340 -0.000 0.000 0.275 86 L C -0.334 176.277 176.870 -0.432 0.000 1.068 86 L CA -0.535 53.933 54.840 -0.620 0.000 0.894 86 L CB -0.234 41.098 42.059 -1.211 0.000 1.275 86 L HN 0.758 nan 8.230 nan 0.000 0.432 87 D N 3.748 123.992 120.400 -0.261 0.000 2.390 87 D HA 0.200 4.840 4.640 -0.000 0.000 0.249 87 D C -0.249 175.949 176.300 -0.171 0.000 1.144 87 D CA -0.106 53.861 54.000 -0.054 0.000 0.880 87 D CB 2.048 42.915 40.800 0.111 0.000 1.182 87 D HN 0.250 nan 8.370 nan 0.000 0.451 88 V N 1.501 121.319 119.914 -0.161 0.000 3.130 88 V HA 0.232 4.352 4.120 -0.000 0.000 0.310 88 V C -0.659 175.467 176.094 0.053 0.000 1.158 88 V CA -0.902 61.215 62.300 -0.306 0.000 1.029 88 V CB 2.287 33.772 31.823 -0.562 0.000 1.057 88 V HN 0.798 nan 8.190 nan 0.000 0.436 89 D N 1.258 121.741 120.400 0.138 0.000 2.294 89 D HA 0.174 4.814 4.640 -0.000 0.000 0.250 89 D C 0.718 177.049 176.300 0.052 0.000 1.058 89 D CA -0.354 53.759 54.000 0.188 0.000 0.950 89 D CB 1.787 42.709 40.800 0.203 0.000 1.158 89 D HN 0.671 nan 8.370 nan 0.000 0.453 90 E N 1.077 121.263 120.200 -0.023 0.000 2.086 90 E HA -0.334 4.016 4.350 -0.000 0.000 0.205 90 E C 1.912 178.391 176.600 -0.202 0.000 1.027 90 E CA 2.159 58.352 56.400 -0.345 0.000 0.830 90 E CB -0.244 29.399 29.700 -0.095 0.000 0.751 90 E HN 0.618 nan 8.360 nan 0.000 0.456 91 A N 0.593 123.396 122.820 -0.027 0.000 1.859 91 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 91 A C 2.088 179.696 177.584 0.040 0.000 1.209 91 A CA 1.870 53.917 52.037 0.018 0.000 0.639 91 A CB -1.278 17.772 19.000 0.083 0.000 0.835 91 A HN 0.532 nan 8.150 nan 0.000 0.450 92 F N 0.798 120.742 119.950 -0.011 0.000 2.161 92 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 92 F C 2.547 178.282 175.800 -0.108 0.000 1.089 92 F CA 1.139 59.143 58.000 0.005 0.000 1.282 92 F CB -0.374 38.701 39.000 0.125 0.000 1.010 92 F HN 0.264 nan 8.300 nan 0.000 0.485 93 A N 0.210 122.973 122.820 -0.095 0.000 1.908 93 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 93 A C 1.937 179.356 177.584 -0.275 0.000 1.181 93 A CA 1.898 53.780 52.037 -0.259 0.000 0.627 93 A CB -0.877 17.795 19.000 -0.547 0.000 0.818 93 A HN 0.480 nan 8.150 nan 0.000 0.445 94 N N -0.177 118.375 118.700 -0.246 0.000 2.571 94 N HA -0.053 4.687 4.740 -0.000 0.000 0.189 94 N C 0.831 176.234 175.510 -0.179 0.000 1.154 94 N CA 0.690 53.628 53.050 -0.188 0.000 0.907 94 N CB 0.002 38.403 38.487 -0.143 0.000 0.977 94 N HN 0.697 nan 8.380 nan 0.000 0.449 95 Q N 0.232 119.878 119.800 -0.256 0.000 2.179 95 Q HA 0.303 4.642 4.340 -0.000 0.000 0.213 95 Q C 0.100 175.922 176.000 -0.296 0.000 0.833 95 Q CA 0.000 55.645 55.803 -0.264 0.000 0.990 95 Q CB 0.767 29.318 28.738 -0.312 0.000 1.132 95 Q HN 0.382 nan 8.270 nan 0.000 0.493 96 I N -2.146 118.260 120.570 -0.274 0.000 2.769 96 I HA 0.636 4.806 4.170 -0.000 0.000 0.298 96 I C -1.124 174.917 176.117 -0.126 0.000 1.128 96 I CA -1.252 59.919 61.300 -0.215 0.000 1.031 96 I CB 2.194 40.034 38.000 -0.267 0.000 1.235 96 I HN -0.146 nan 8.210 nan 0.000 0.423 97 K N 2.618 122.968 120.400 -0.082 0.000 2.522 97 K HA 0.696 5.016 4.320 -0.000 0.000 0.275 97 K C -3.230 173.356 176.600 -0.025 0.000 1.006 97 K CA -1.968 54.292 56.287 -0.045 0.000 0.890 97 K CB 1.373 33.849 32.500 -0.041 0.000 1.475 97 K HN 0.220 nan 8.250 nan 0.000 0.441 98 P HA -0.056 nan 4.420 nan 0.000 0.263 98 P C -0.759 176.540 177.300 -0.001 0.000 1.175 98 P CA 0.903 64.005 63.100 0.003 0.000 0.761 98 P CB 0.141 31.845 31.700 0.007 0.000 0.794 99 D N -1.077 119.326 120.400 0.006 0.000 2.911 99 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 99 D C -0.266 176.036 176.300 0.004 0.000 1.041 99 D CA 1.058 55.062 54.000 0.007 0.000 1.013 99 D CB -1.707 39.095 40.800 0.003 0.000 1.093 99 D HN 0.361 nan 8.370 nan 0.000 0.431 100 T N 1.394 115.946 114.554 -0.003 0.000 2.930 100 T HA 0.212 4.562 4.350 -0.000 0.000 0.306 100 T C 0.804 175.513 174.700 0.014 0.000 1.045 100 T CA 0.095 62.190 62.100 -0.009 0.000 1.134 100 T CB 1.224 70.068 68.868 -0.039 0.000 0.961 100 T HN 0.018 nan 8.240 nan 0.000 0.545 101 R N 2.680 123.194 120.500 0.025 0.000 2.229 101 R HA 0.404 4.744 4.340 -0.000 0.000 0.332 101 R C -0.486 175.862 176.300 0.080 0.000 0.989 101 R CA -0.667 55.463 56.100 0.049 0.000 0.842 101 R CB 0.749 31.077 30.300 0.046 0.000 1.119 101 R HN 0.437 nan 8.270 nan 0.000 0.456 102 I N 1.890 122.528 120.570 0.112 0.000 2.525 102 I HA 0.407 4.576 4.170 -0.000 0.000 0.301 102 I C 0.389 176.628 176.117 0.203 0.000 0.992 102 I CA -1.005 60.408 61.300 0.188 0.000 1.162 102 I CB 1.674 39.823 38.000 0.247 0.000 1.332 102 I HN 0.550 nan 8.210 nan 0.000 0.458 103 A N 6.951 129.939 122.820 0.280 0.000 2.288 103 A HA 0.744 5.064 4.320 -0.000 0.000 0.320 103 A C -0.604 177.211 177.584 0.384 0.000 1.217 103 A CA -0.534 51.682 52.037 0.298 0.000 0.840 103 A CB 0.573 19.849 19.000 0.460 0.000 1.179 103 A HN 0.661 nan 8.150 nan 0.000 0.504 104 L N 3.041 124.398 121.223 0.224 0.000 2.265 104 L HA 0.509 4.849 4.340 -0.000 0.000 0.289 104 L C -1.043 175.903 176.870 0.126 0.000 1.033 104 L CA -0.208 54.785 54.840 0.255 0.000 0.814 104 L CB 0.597 42.776 42.059 0.201 0.000 1.203 104 L HN 0.620 nan 8.230 nan 0.000 0.423 105 F N 1.242 121.212 119.950 0.034 0.000 2.497 105 F HA 0.486 5.013 4.527 -0.000 0.000 0.331 105 F C 0.360 176.139 175.800 -0.036 0.000 1.060 105 F CA -0.580 57.415 58.000 -0.008 0.000 0.989 105 F CB 1.643 40.625 39.000 -0.029 0.000 1.245 105 F HN 0.389 nan 8.300 nan 0.000 0.486 106 Q N 0.957 120.852 119.800 0.157 0.000 2.333 106 Q HA 0.281 4.621 4.340 -0.000 0.000 0.267 106 Q C -1.014 175.030 176.000 0.073 0.000 1.012 106 Q CA -0.548 55.293 55.803 0.064 0.000 0.824 106 Q CB 1.253 29.992 28.738 0.003 0.000 1.290 106 Q HN 0.723 nan 8.270 nan 0.000 0.449 107 D N 3.416 123.832 120.400 0.028 0.000 2.811 107 D HA -0.215 4.425 4.640 -0.000 0.000 0.231 107 D C -0.744 175.562 176.300 0.011 0.000 1.157 107 D CA 1.583 55.592 54.000 0.015 0.000 0.716 107 D CB -0.687 40.133 40.800 0.034 0.000 1.077 107 D HN 0.930 nan 8.370 nan 0.000 0.428 108 D N -0.903 119.495 120.400 -0.003 0.000 2.882 108 D HA -0.249 4.391 4.640 -0.000 0.000 0.229 108 D C 1.175 177.458 176.300 -0.027 0.000 1.167 108 D CA 1.687 55.648 54.000 -0.065 0.000 0.759 108 D CB -0.881 39.854 40.800 -0.108 0.000 1.088 108 D HN 0.882 nan 8.370 nan 0.000 0.425 109 E N -1.223 119.067 120.200 0.150 0.000 2.461 109 E HA 0.097 4.447 4.350 -0.000 0.000 0.185 109 E C 0.254 177.061 176.600 0.344 0.000 0.942 109 E CA -0.268 56.256 56.400 0.207 0.000 1.434 109 E CB 0.082 29.835 29.700 0.087 0.000 1.899 109 E HN 0.179 nan 8.360 nan 0.000 0.862 110 I N 3.266 124.016 120.570 0.301 0.000 2.330 110 I HA 0.387 4.557 4.170 -0.000 0.000 0.289 110 I C -2.473 173.544 176.117 -0.167 0.000 1.001 110 I CA -2.632 58.722 61.300 0.090 0.000 1.193 110 I CB 1.423 39.432 38.000 0.014 0.000 1.345 110 I HN -0.152 nan 8.210 nan 0.000 0.461 111 P HA 0.108 nan 4.420 nan 0.000 0.269 111 P C 0.384 177.430 177.300 -0.422 0.000 1.252 111 P CA 0.045 62.640 63.100 -0.840 0.000 0.780 111 P CB 0.620 31.998 31.700 -0.537 0.000 0.829 112 I N 2.253 122.601 120.570 -0.371 0.000 2.685 112 I HA 0.286 4.455 4.170 -0.000 0.000 0.251 112 I C 1.081 177.128 176.117 -0.117 0.000 1.102 112 I CA 0.689 61.887 61.300 -0.170 0.000 1.442 112 I CB -1.052 36.900 38.000 -0.079 0.000 1.194 112 I HN 0.265 nan 8.210 nan 0.000 0.448 113 A N 0.342 123.102 122.820 -0.100 0.000 2.566 113 A HA 0.628 4.947 4.320 -0.000 0.000 0.290 113 A C -1.473 176.110 177.584 -0.001 0.000 1.071 113 A CA -0.439 51.577 52.037 -0.034 0.000 0.658 113 A CB 1.211 20.226 19.000 0.024 0.000 1.285 113 A HN -0.048 nan 8.150 nan 0.000 0.427 114 I N 1.174 121.759 120.570 0.024 0.000 2.354 114 I HA 0.481 4.651 4.170 -0.000 0.000 0.292 114 I C -0.726 175.437 176.117 0.078 0.000 0.989 114 I CA -0.429 60.903 61.300 0.054 0.000 1.188 114 I CB 1.116 39.140 38.000 0.039 0.000 1.342 114 I HN 0.618 nan 8.210 nan 0.000 0.457 115 L N 6.549 127.833 121.223 0.102 0.000 2.307 115 L HA 0.527 4.867 4.340 -0.000 0.000 0.284 115 L C -0.087 176.833 176.870 0.084 0.000 1.023 115 L CA 0.233 55.138 54.840 0.108 0.000 0.810 115 L CB 1.692 43.824 42.059 0.122 0.000 1.231 115 L HN 0.529 nan 8.230 nan 0.000 0.423 116 T N 4.829 119.426 114.554 0.072 0.000 2.781 116 T HA 0.410 4.760 4.350 -0.000 0.000 0.305 116 T C 0.089 174.821 174.700 0.053 0.000 1.001 116 T CA -0.326 61.805 62.100 0.052 0.000 0.950 116 T CB 0.554 69.445 68.868 0.039 0.000 0.955 116 T HN 0.422 nan 8.240 nan 0.000 0.471 117 V N 4.265 124.205 119.914 0.043 0.000 3.139 117 V HA 0.106 4.226 4.120 -0.000 0.000 0.307 117 V C 1.185 177.303 176.094 0.039 0.000 1.095 117 V CA 0.423 62.747 62.300 0.040 0.000 1.160 117 V CB 0.767 32.600 31.823 0.017 0.000 1.003 117 V HN 1.050 nan 8.190 nan 0.000 0.489 118 Q N -0.285 119.545 119.800 0.050 0.000 1.842 118 Q HA 0.351 4.691 4.340 -0.000 0.000 0.180 118 Q C -0.616 175.419 176.000 0.059 0.000 0.751 118 Q CA -0.358 55.471 55.803 0.044 0.000 0.861 118 Q CB 1.019 29.781 28.738 0.040 0.000 1.223 118 Q HN 0.652 nan 8.270 nan 0.000 0.401 119 D N 0.299 120.755 120.400 0.093 0.000 2.745 119 D HA 0.407 5.047 4.640 -0.000 0.000 0.221 119 D C -1.735 174.690 176.300 0.209 0.000 1.237 119 D CA -0.346 53.746 54.000 0.152 0.000 0.781 119 D CB 2.956 43.864 40.800 0.181 0.000 1.575 119 D HN -0.022 nan 8.370 nan 0.000 0.482 120 V N 3.990 124.049 119.914 0.242 0.000 2.577 120 V HA 0.432 4.552 4.120 -0.000 0.000 0.294 120 V C -1.180 175.081 176.094 0.279 0.000 1.052 120 V CA -0.723 61.684 62.300 0.178 0.000 0.891 120 V CB 1.061 32.922 31.823 0.064 0.000 1.017 120 V HN 0.472 nan 8.190 nan 0.000 0.436 121 Y N 1.446 121.776 120.300 0.050 0.000 2.609 121 Y HA 0.738 5.288 4.550 -0.000 0.000 0.342 121 Y C -0.410 175.425 175.900 -0.109 0.000 1.058 121 Y CA -2.079 56.020 58.100 -0.003 0.000 1.055 121 Y CB 1.849 40.282 38.460 -0.046 0.000 1.292 121 Y HN 0.441 nan 8.280 nan 0.000 0.476 122 K N 3.133 123.461 120.400 -0.119 0.000 2.423 122 K HA 0.473 4.793 4.320 -0.000 0.000 0.234 122 K C -2.782 173.608 176.600 -0.350 0.000 1.051 122 K CA -1.794 54.199 56.287 -0.489 0.000 1.021 122 K CB 0.231 32.407 32.500 -0.540 0.000 1.474 122 K HN 0.511 nan 8.250 nan 0.000 0.474 123 P HA -0.094 nan 4.420 nan 0.000 0.266 123 P C -0.937 176.235 177.300 -0.214 0.000 1.193 123 P CA -0.003 62.913 63.100 -0.305 0.000 0.770 123 P CB 0.421 31.662 31.700 -0.764 0.000 0.836 124 N N 1.773 120.451 118.700 -0.037 0.000 2.439 124 N HA 0.011 4.751 4.740 -0.000 0.000 0.243 124 N C 0.772 176.273 175.510 -0.015 0.000 1.088 124 N CA -0.397 52.640 53.050 -0.021 0.000 0.940 124 N CB 0.176 38.680 38.487 0.028 0.000 1.180 124 N HN 0.238 nan 8.380 nan 0.000 0.505 125 K N 1.454 121.792 120.400 -0.104 0.000 2.283 125 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 125 K C 1.379 177.986 176.600 0.011 0.000 1.048 125 K CA 1.103 57.263 56.287 -0.212 0.000 0.948 125 K CB 0.132 32.216 32.500 -0.694 0.000 0.742 125 K HN 0.547 nan 8.250 nan 0.000 0.458 126 T N 1.912 116.575 114.554 0.181 0.000 2.701 126 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 126 T C 1.936 176.726 174.700 0.150 0.000 1.040 126 T CA 1.027 63.285 62.100 0.263 0.000 1.147 126 T CB -0.130 68.847 68.868 0.181 0.000 0.865 126 T HN 0.139 nan 8.240 nan 0.000 0.426 127 I N 0.811 121.433 120.570 0.086 0.000 2.286 127 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 127 I C 2.762 178.888 176.117 0.015 0.000 1.115 127 I CA 1.291 62.617 61.300 0.043 0.000 1.392 127 I CB -0.359 37.656 38.000 0.025 0.000 1.065 127 I HN 0.354 nan 8.210 nan 0.000 0.418 128 E N 1.266 121.486 120.200 0.033 0.000 2.031 128 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 128 E C 2.331 178.914 176.600 -0.029 0.000 0.994 128 E CA 1.407 57.802 56.400 -0.009 0.000 0.800 128 E CB -0.049 29.722 29.700 0.119 0.000 0.752 128 E HN 0.463 nan 8.360 nan 0.000 0.447 129 A N 1.010 123.900 122.820 0.117 0.000 1.917 129 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 129 A C 2.046 179.711 177.584 0.136 0.000 1.182 129 A CA 2.067 54.249 52.037 0.241 0.000 0.633 129 A CB -0.644 18.589 19.000 0.387 0.000 0.819 129 A HN 0.326 nan 8.150 nan 0.000 0.448 130 E N 0.093 120.348 120.200 0.091 0.000 2.028 130 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 130 E C 1.933 178.530 176.600 -0.005 0.000 0.988 130 E CA 1.820 58.252 56.400 0.054 0.000 0.799 130 E CB -0.240 29.491 29.700 0.053 0.000 0.755 130 E HN 0.584 nan 8.360 nan 0.000 0.447 131 K N -0.656 119.713 120.400 -0.051 0.000 2.296 131 K HA 0.033 4.353 4.320 -0.000 0.000 0.200 131 K C 1.843 178.342 176.600 -0.167 0.000 1.048 131 K CA 0.865 57.098 56.287 -0.090 0.000 0.966 131 K CB 0.391 32.833 32.500 -0.097 0.000 0.754 131 K HN 0.042 nan 8.250 nan 0.000 0.466 132 V N -0.477 119.255 119.914 -0.303 0.000 2.690 132 V HA 0.008 4.127 4.120 -0.000 0.000 0.240 132 V C 0.993 176.758 176.094 -0.548 0.000 1.078 132 V CA 0.979 62.935 62.300 -0.574 0.000 1.102 132 V CB -0.007 31.188 31.823 -1.046 0.000 0.800 132 V HN 0.142 nan 8.190 nan 0.000 0.479 133 F N -0.130 119.773 119.950 -0.078 0.000 2.708 133 F HA 0.446 4.973 4.527 -0.000 0.000 0.300 133 F C 1.061 176.787 175.800 -0.125 0.000 1.118 133 F CA -0.460 57.426 58.000 -0.191 0.000 1.307 133 F CB 0.120 38.831 39.000 -0.481 0.000 0.986 133 F HN -0.064 nan 8.300 nan 0.000 0.522 134 R N -0.131 120.413 120.500 0.072 0.000 3.770 134 R HA -0.230 4.110 4.340 -0.000 0.000 0.305 134 R C 1.535 177.891 176.300 0.094 0.000 1.184 134 R CA 0.397 56.531 56.100 0.056 0.000 0.823 134 R CB -2.355 27.942 30.300 -0.005 0.000 1.285 134 R HN 0.671 nan 8.270 nan 0.000 0.499 135 G N 0.583 109.454 108.800 0.119 0.000 2.230 135 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.270 135 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.270 135 G C 0.090 175.088 174.900 0.163 0.000 0.987 135 G CA 0.755 45.940 45.100 0.141 0.000 0.664 135 G HN 0.590 nan 8.290 nan 0.000 0.539 136 D N 0.945 121.472 120.400 0.211 0.000 2.363 136 D HA 0.270 4.910 4.640 -0.000 0.000 0.263 136 D C -0.471 176.002 176.300 0.288 0.000 1.258 136 D CA -1.762 52.390 54.000 0.253 0.000 0.907 136 D CB 0.917 41.940 40.800 0.372 0.000 1.107 136 D HN 0.130 nan 8.370 nan 0.000 0.495 137 P HA -0.136 nan 4.420 nan 0.000 0.222 137 P C 0.418 177.832 177.300 0.191 0.000 1.142 137 P CA 1.094 64.281 63.100 0.145 0.000 0.788 137 P CB 0.251 31.986 31.700 0.059 0.000 0.767 138 E N -2.811 117.560 120.200 0.284 0.000 2.472 138 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 138 E C 0.658 177.424 176.600 0.277 0.000 1.033 138 E CA -0.134 56.447 56.400 0.302 0.000 0.886 138 E CB -0.265 29.642 29.700 0.345 0.000 0.944 138 E HN 0.392 nan 8.360 nan 0.000 0.492 139 H N 2.473 121.624 119.070 0.135 0.000 3.004 139 H HA 0.009 4.565 4.556 -0.000 0.000 0.316 139 H C -1.794 173.419 175.328 -0.191 0.000 1.014 139 H CA -1.685 54.176 56.048 -0.312 0.000 1.454 139 H CB 1.196 30.864 29.762 -0.156 0.000 1.472 139 H HN -0.173 nan 8.280 nan 0.000 0.571 140 P HA -0.232 nan 4.420 nan 0.000 0.217 140 P C 1.108 178.458 177.300 0.083 0.000 1.158 140 P CA 2.646 65.735 63.100 -0.018 0.000 0.887 140 P CB 0.062 31.667 31.700 -0.157 0.000 0.792 141 A N -1.171 121.711 122.820 0.105 0.000 1.930 141 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 141 A C 2.207 179.627 177.584 -0.274 0.000 1.175 141 A CA 1.383 53.166 52.037 -0.422 0.000 0.627 141 A CB -1.478 16.596 19.000 -1.545 0.000 0.815 141 A HN 0.129 nan 8.150 nan 0.000 0.443 142 I N -0.514 119.993 120.570 -0.105 0.000 2.315 142 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 142 I C 2.613 178.924 176.117 0.323 0.000 1.117 142 I CA 1.199 62.610 61.300 0.186 0.000 1.404 142 I CB -0.344 37.812 38.000 0.260 0.000 1.071 142 I HN 0.217 nan 8.210 nan 0.000 0.419 143 S N 0.202 116.045 115.700 0.239 0.000 2.356 143 S HA -0.241 4.228 4.470 -0.000 0.000 0.223 143 S C 1.999 176.739 174.600 0.233 0.000 1.032 143 S CA 1.428 59.765 58.200 0.229 0.000 1.005 143 S CB -0.473 62.825 63.200 0.165 0.000 0.867 143 S HN 0.431 nan 8.310 nan 0.000 0.449 144 Y N 1.954 122.306 120.300 0.086 0.000 2.145 144 Y HA -0.164 4.385 4.550 -0.000 0.000 0.286 144 Y C 2.180 178.128 175.900 0.081 0.000 1.145 144 Y CA 1.337 59.479 58.100 0.070 0.000 1.148 144 Y CB -0.494 37.983 38.460 0.028 0.000 0.981 144 Y HN 0.180 nan 8.280 nan 0.000 0.507 145 L N -0.461 120.908 121.223 0.243 0.000 2.051 145 L HA -0.270 4.070 4.340 -0.000 0.000 0.214 145 L C 1.770 178.579 176.870 -0.103 0.000 1.076 145 L CA 2.045 56.940 54.840 0.091 0.000 0.758 145 L CB -0.989 41.102 42.059 0.053 0.000 0.890 145 L HN 0.286 nan 8.230 nan 0.000 0.433 146 F N -1.045 118.940 119.950 0.058 0.000 2.530 146 F HA 0.063 4.590 4.527 -0.000 0.000 0.292 146 F C 1.895 177.685 175.800 -0.015 0.000 1.109 146 F CA 0.501 58.516 58.000 0.025 0.000 1.450 146 F CB -0.110 38.914 39.000 0.041 0.000 1.114 146 F HN 0.193 nan 8.300 nan 0.000 0.560 147 N N -0.848 117.927 118.700 0.124 0.000 2.250 147 N HA 0.099 4.839 4.740 -0.000 0.000 0.190 147 N C 1.153 176.611 175.510 -0.087 0.000 1.116 147 N CA 0.596 53.668 53.050 0.036 0.000 0.881 147 N CB 1.041 39.560 38.487 0.054 0.000 1.006 147 N HN 0.153 nan 8.380 nan 0.000 0.491 148 V N -0.315 119.436 119.914 -0.271 0.000 3.251 148 V HA 0.365 4.485 4.120 -0.000 0.000 0.239 148 V C 0.825 176.658 176.094 -0.434 0.000 1.332 148 V CA -0.054 61.974 62.300 -0.454 0.000 1.224 148 V CB -0.093 31.189 31.823 -0.902 0.000 1.004 148 V HN 0.123 nan 8.190 nan 0.000 0.464 149 A N 1.619 124.172 122.820 -0.445 0.000 2.454 149 A HA 0.592 4.912 4.320 -0.000 0.000 0.260 149 A C 0.935 178.515 177.584 -0.006 0.000 1.106 149 A CA 0.566 52.534 52.037 -0.114 0.000 0.780 149 A CB -0.205 18.837 19.000 0.070 0.000 1.044 149 A HN 0.505 nan 8.150 nan 0.000 0.498 150 G N 0.906 109.747 108.800 0.068 0.000 2.690 150 G HA2 0.241 4.200 3.960 -0.000 0.000 0.239 150 G HA3 0.241 4.200 3.960 -0.000 0.000 0.239 150 G C 0.198 175.124 174.900 0.043 0.000 1.233 150 G CA -0.188 44.965 45.100 0.088 0.000 0.847 150 G HN 0.734 nan 8.290 nan 0.000 0.588 151 D N -0.760 119.647 120.400 0.012 0.000 2.340 151 D HA 0.045 4.685 4.640 -0.000 0.000 0.220 151 D C -0.368 175.617 176.300 -0.525 0.000 1.039 151 D CA 0.931 54.789 54.000 -0.236 0.000 0.866 151 D CB 0.276 40.925 40.800 -0.252 0.000 0.913 151 D HN 0.330 nan 8.370 nan 0.000 0.523 152 Y N -0.024 120.164 120.300 -0.187 0.000 2.376 152 Y HA 0.255 4.805 4.550 -0.000 0.000 0.340 152 Y C -0.198 175.587 175.900 -0.192 0.000 0.965 152 Y CA -1.106 56.836 58.100 -0.263 0.000 1.078 152 Y CB 1.032 39.391 38.460 -0.168 0.000 1.193 152 Y HN -0.188 nan 8.280 nan 0.000 0.452 153 Y N 1.810 121.788 120.300 -0.538 0.000 2.334 153 Y HA 0.519 5.069 4.550 -0.000 0.000 0.328 153 Y C -0.174 175.400 175.900 -0.543 0.000 1.130 153 Y CA -1.892 55.798 58.100 -0.683 0.000 1.163 153 Y CB 1.425 39.182 38.460 -1.172 0.000 1.207 153 Y HN 0.225 nan 8.280 nan 0.000 0.471 154 V N 3.383 123.191 119.914 -0.177 0.000 2.284 154 V HA 0.449 4.569 4.120 -0.000 0.000 0.274 154 V C 0.555 176.664 176.094 0.025 0.000 1.023 154 V CA -1.074 61.176 62.300 -0.084 0.000 0.808 154 V CB 0.909 32.641 31.823 -0.153 0.000 1.035 154 V HN 0.934 nan 8.190 nan 0.000 0.445 155 G N 2.661 111.569 108.800 0.180 0.000 2.483 155 G HA2 0.628 4.588 3.960 -0.000 0.000 0.248 155 G HA3 0.628 4.588 3.960 -0.000 0.000 0.248 155 G C 0.168 175.154 174.900 0.145 0.000 1.248 155 G CA 0.419 45.647 45.100 0.212 0.000 0.838 155 G HN 1.180 nan 8.290 nan 0.000 0.566 156 G N -0.637 108.255 108.800 0.153 0.000 2.387 156 G HA2 0.585 4.545 3.960 -0.000 0.000 0.294 156 G HA3 0.585 4.545 3.960 -0.000 0.000 0.294 156 G C -0.530 174.443 174.900 0.121 0.000 1.509 156 G CA 0.083 45.255 45.100 0.121 0.000 0.806 156 G HN 1.376 nan 8.290 nan 0.000 0.546 157 S N -0.720 115.029 115.700 0.082 0.000 2.617 157 S HA 0.853 5.323 4.470 -0.000 0.000 0.283 157 S C -0.219 174.427 174.600 0.076 0.000 1.189 157 S CA -0.692 57.543 58.200 0.057 0.000 1.036 157 S CB 1.563 64.780 63.200 0.029 0.000 1.014 157 S HN 0.679 nan 8.310 nan 0.000 0.522 158 L N 1.208 122.466 121.223 0.058 0.000 2.333 158 L HA 0.615 4.955 4.340 -0.000 0.000 0.269 158 L C -0.064 176.823 176.870 0.029 0.000 1.010 158 L CA -0.599 54.280 54.840 0.065 0.000 0.818 158 L CB 1.923 44.029 42.059 0.078 0.000 1.306 158 L HN 0.738 nan 8.230 nan 0.000 0.430 159 E N 1.337 121.553 120.200 0.028 0.000 2.224 159 E HA 0.575 4.925 4.350 -0.000 0.000 0.265 159 E C -1.021 175.579 176.600 -0.000 0.000 0.878 159 E CA -0.764 55.641 56.400 0.008 0.000 0.759 159 E CB 2.423 32.128 29.700 0.009 0.000 1.164 159 E HN 0.641 nan 8.360 nan 0.000 0.414 160 A N 3.500 126.312 122.820 -0.015 0.000 2.331 160 A HA 0.401 4.720 4.320 -0.000 0.000 0.283 160 A C 0.423 177.984 177.584 -0.039 0.000 1.142 160 A CA -0.183 51.837 52.037 -0.027 0.000 0.812 160 A CB 0.275 19.254 19.000 -0.035 0.000 1.074 160 A HN 0.763 nan 8.150 nan 0.000 0.497 161 I N -0.059 120.478 120.570 -0.055 0.000 3.132 161 I HA 0.130 4.300 4.170 -0.000 0.000 0.255 161 I C 0.813 176.889 176.117 -0.068 0.000 1.118 161 I CA 0.517 61.776 61.300 -0.068 0.000 1.463 161 I CB 0.216 38.154 38.000 -0.104 0.000 1.356 161 I HN 0.865 nan 8.210 nan 0.000 0.463 162 Q N 0.624 120.377 119.800 -0.079 0.000 2.527 162 Q HA 0.404 4.744 4.340 -0.000 0.000 0.280 162 Q C -1.548 174.403 176.000 -0.081 0.000 0.977 162 Q CA -0.742 55.015 55.803 -0.077 0.000 0.837 162 Q CB 1.886 30.574 28.738 -0.083 0.000 1.454 162 Q HN 0.084 nan 8.270 nan 0.000 0.387 163 L N 1.552 122.729 121.223 -0.077 0.000 2.452 163 L HA 0.363 4.703 4.340 -0.000 0.000 0.267 163 L C -1.967 174.828 176.870 -0.125 0.000 1.188 163 L CA -1.833 52.959 54.840 -0.079 0.000 0.821 163 L CB 0.036 42.062 42.059 -0.054 0.000 1.102 163 L HN 0.515 nan 8.230 nan 0.000 0.470 164 P HA -0.076 nan 4.420 nan 0.000 0.263 164 P C -0.722 176.307 177.300 -0.451 0.000 1.175 164 P CA -0.026 62.922 63.100 -0.253 0.000 0.761 164 P CB 0.361 31.922 31.700 -0.231 0.000 0.794 165 Q N 3.277 122.829 119.800 -0.414 0.000 2.332 165 Q HA 0.099 4.439 4.340 -0.000 0.000 0.263 165 Q C -0.705 174.879 176.000 -0.692 0.000 0.979 165 Q CA 0.929 56.438 55.803 -0.490 0.000 0.885 165 Q CB 0.071 28.579 28.738 -0.384 0.000 1.218 165 Q HN 0.428 nan 8.270 nan 0.000 0.405 166 H N 3.623 122.452 119.070 -0.402 0.000 2.806 166 H HA 0.205 4.760 4.556 -0.000 0.000 0.367 166 H C -0.767 174.300 175.328 -0.436 0.000 1.136 166 H CA -0.365 55.507 56.048 -0.294 0.000 1.178 166 H CB 1.184 30.869 29.762 -0.128 0.000 1.718 166 H HN 0.808 nan 8.280 nan 0.000 0.540 167 Y N -0.315 120.058 120.300 0.122 0.000 2.500 167 Y HA 0.032 4.582 4.550 -0.000 0.000 0.246 167 Y C 0.477 176.374 175.900 -0.005 0.000 1.146 167 Y CA -0.503 57.623 58.100 0.044 0.000 1.230 167 Y CB 1.010 39.481 38.460 0.018 0.000 1.214 167 Y HN 0.499 nan 8.280 nan 0.000 0.526 168 D N -1.154 119.302 120.400 0.093 0.000 2.198 168 D HA 0.110 4.750 4.640 -0.000 0.000 0.247 168 D C -0.250 175.970 176.300 -0.134 0.000 1.010 168 D CA -0.854 53.054 54.000 -0.154 0.000 0.880 168 D CB 0.853 41.527 40.800 -0.209 0.000 1.209 168 D HN 0.320 nan 8.370 nan 0.000 0.451 169 Y N -2.560 117.786 120.300 0.076 0.000 3.037 169 Y HA -0.198 4.351 4.550 -0.000 0.000 0.204 169 Y C -2.018 173.882 175.900 0.000 0.000 1.275 169 Y CA -0.523 57.590 58.100 0.022 0.000 1.066 169 Y CB -1.913 36.542 38.460 -0.009 0.000 1.305 169 Y HN 0.285 nan 8.280 nan 0.000 0.499 170 P HA 0.203 nan 4.420 nan 0.000 0.271 170 P C 1.073 178.412 177.300 0.066 0.000 1.216 170 P CA 1.437 64.579 63.100 0.070 0.000 0.776 170 P CB 1.117 32.849 31.700 0.054 0.000 0.881 171 G N 1.792 110.620 108.800 0.046 0.000 2.189 171 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 171 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 171 G C 0.536 175.461 174.900 0.043 0.000 0.975 171 G CA 0.372 45.496 45.100 0.041 0.000 0.644 171 G HN 0.541 nan 8.290 nan 0.000 0.537 172 L N -0.206 121.042 121.223 0.041 0.000 2.556 172 L HA 0.466 4.805 4.340 -0.000 0.000 0.226 172 L C 1.737 178.597 176.870 -0.017 0.000 1.089 172 L CA 0.492 55.331 54.840 -0.002 0.000 0.864 172 L CB 0.178 42.240 42.059 0.006 0.000 1.067 172 L HN 0.219 nan 8.230 nan 0.000 0.477 173 R N 1.474 121.974 120.500 -0.001 0.000 3.657 173 R HA 0.174 4.514 4.340 -0.000 0.000 0.220 173 R C -0.416 175.904 176.300 0.034 0.000 1.548 173 R CA -0.113 55.975 56.100 -0.020 0.000 1.465 173 R CB 0.013 30.276 30.300 -0.062 0.000 1.330 173 R HN 0.163 nan 8.270 nan 0.000 0.707 174 K N 1.599 122.041 120.400 0.070 0.000 2.322 174 K HA 0.045 4.365 4.320 -0.000 0.000 0.283 174 K C 0.869 177.567 176.600 0.162 0.000 1.042 174 K CA 0.021 56.358 56.287 0.084 0.000 0.958 174 K CB 0.929 33.476 32.500 0.078 0.000 0.984 174 K HN 0.311 nan 8.250 nan 0.000 0.473 175 T N 0.079 114.678 114.554 0.076 0.000 2.766 175 T HA 0.092 4.442 4.350 -0.000 0.000 0.295 175 T C -1.819 172.832 174.700 -0.081 0.000 1.024 175 T CA -1.573 60.544 62.100 0.027 0.000 1.018 175 T CB 0.711 69.540 68.868 -0.066 0.000 1.002 175 T HN 0.215 nan 8.240 nan 0.000 0.532 176 P HA -0.060 nan 4.420 nan 0.000 0.215 176 P C 1.700 178.850 177.300 -0.249 0.000 1.153 176 P CA 1.679 64.462 63.100 -0.527 0.000 0.853 176 P CB -0.344 30.928 31.700 -0.713 0.000 0.788 177 A N -0.373 122.328 122.820 -0.199 0.000 1.877 177 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 177 A C 2.234 179.727 177.584 -0.152 0.000 1.186 177 A CA 1.772 53.722 52.037 -0.145 0.000 0.620 177 A CB -1.406 17.526 19.000 -0.114 0.000 0.822 177 A HN 0.196 nan 8.150 nan 0.000 0.443 178 Q N -0.590 119.126 119.800 -0.141 0.000 2.084 178 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 178 Q C 2.170 178.017 176.000 -0.255 0.000 0.978 178 Q CA 1.352 57.065 55.803 -0.151 0.000 0.844 178 Q CB -0.314 28.368 28.738 -0.094 0.000 0.898 178 Q HN 0.645 nan 8.270 nan 0.000 0.426 179 L N 0.404 121.454 121.223 -0.289 0.000 2.017 179 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 179 L C 2.487 178.831 176.870 -0.878 0.000 1.073 179 L CA 1.445 55.924 54.840 -0.602 0.000 0.745 179 L CB -0.187 41.611 42.059 -0.434 0.000 0.894 179 L HN 0.226 nan 8.230 nan 0.000 0.432 180 R N -0.526 119.697 120.500 -0.461 0.000 2.105 180 R HA -0.179 4.160 4.340 -0.000 0.000 0.239 180 R C 2.227 178.408 176.300 -0.199 0.000 1.135 180 R CA 1.190 57.148 56.100 -0.238 0.000 0.967 180 R CB -0.225 30.026 30.300 -0.082 0.000 0.861 180 R HN 0.359 nan 8.270 nan 0.000 0.442 181 L N -0.035 121.053 121.223 -0.225 0.000 2.093 181 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 181 L C 2.369 179.100 176.870 -0.233 0.000 1.085 181 L CA 1.055 55.791 54.840 -0.174 0.000 0.755 181 L CB -0.236 41.734 42.059 -0.148 0.000 0.904 181 L HN 0.155 nan 8.230 nan 0.000 0.435 182 E N 0.410 120.378 120.200 -0.387 0.000 2.106 182 E HA -0.188 4.161 4.350 -0.000 0.000 0.192 182 E C 2.035 178.372 176.600 -0.438 0.000 0.984 182 E CA 1.441 57.547 56.400 -0.490 0.000 0.806 182 E CB -0.246 29.007 29.700 -0.745 0.000 0.750 182 E HN 0.411 nan 8.360 nan 0.000 0.458 183 F N 0.398 120.119 119.950 -0.382 0.000 2.171 183 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 183 F C 2.458 178.148 175.800 -0.182 0.000 1.090 183 F CA 0.740 58.563 58.000 -0.295 0.000 1.293 183 F CB -0.070 38.900 39.000 -0.050 0.000 1.013 183 F HN 0.096 nan 8.300 nan 0.000 0.486 184 Q N -0.089 119.736 119.800 0.041 0.000 2.172 184 Q HA -0.129 4.210 4.340 -0.000 0.000 0.200 184 Q C 2.264 178.240 176.000 -0.039 0.000 0.964 184 Q CA 1.462 57.277 55.803 0.019 0.000 0.855 184 Q CB -0.178 28.562 28.738 0.002 0.000 0.918 184 Q HN 0.279 nan 8.270 nan 0.000 0.444 185 S N 0.866 116.499 115.700 -0.112 0.000 2.370 185 S HA -0.117 4.353 4.470 -0.000 0.000 0.226 185 S C 1.634 176.157 174.600 -0.127 0.000 1.033 185 S CA 1.125 59.251 58.200 -0.124 0.000 1.011 185 S CB -0.102 62.993 63.200 -0.174 0.000 0.852 185 S HN 0.338 nan 8.310 nan 0.000 0.457 186 R N 0.581 120.948 120.500 -0.223 0.000 2.310 186 R HA 0.192 4.532 4.340 -0.000 0.000 0.202 186 R C -0.037 176.292 176.300 0.049 0.000 0.933 186 R CA 0.095 56.059 56.100 -0.227 0.000 1.054 186 R CB -0.072 29.738 30.300 -0.816 0.000 0.985 186 R HN 0.399 nan 8.270 nan 0.000 0.489 187 Q N -0.738 119.106 119.800 0.073 0.000 2.487 187 Q HA -0.169 4.171 4.340 -0.000 0.000 0.279 187 Q C -1.338 174.848 176.000 0.311 0.000 1.228 187 Q CA 0.313 56.211 55.803 0.158 0.000 0.873 187 Q CB -1.297 27.516 28.738 0.126 0.000 1.260 187 Q HN 0.304 nan 8.270 nan 0.000 0.471 188 W N 1.009 122.308 121.300 -0.001 0.000 2.416 188 W HA 0.198 4.857 4.660 -0.000 0.000 0.318 188 W C 1.059 177.541 176.519 -0.061 0.000 1.150 188 W CA -0.787 56.518 57.345 -0.066 0.000 1.392 188 W CB 0.452 29.814 29.460 -0.162 0.000 1.311 188 W HN 0.175 nan 8.180 nan 0.000 0.436 189 D N 2.206 122.684 120.400 0.130 0.000 2.191 189 D HA 0.017 4.657 4.640 -0.000 0.000 0.221 189 D C 0.170 176.507 176.300 0.062 0.000 1.006 189 D CA 0.890 54.966 54.000 0.126 0.000 0.910 189 D CB 0.353 41.260 40.800 0.178 0.000 1.031 189 D HN 0.154 nan 8.370 nan 0.000 0.447 190 R N 0.074 120.555 120.500 -0.031 0.000 2.298 190 R HA 0.406 4.746 4.340 -0.000 0.000 0.310 190 R C -0.728 175.452 176.300 -0.199 0.000 1.068 190 R CA -0.230 55.816 56.100 -0.090 0.000 0.957 190 R CB 1.593 31.776 30.300 -0.194 0.000 1.003 190 R HN -0.059 nan 8.270 nan 0.000 0.454 191 V N 3.961 123.792 119.914 -0.138 0.000 2.623 191 V HA 0.240 4.360 4.120 -0.000 0.000 0.304 191 V C -0.756 175.294 176.094 -0.073 0.000 1.054 191 V CA -0.881 61.276 62.300 -0.238 0.000 0.882 191 V CB 1.979 33.543 31.823 -0.431 0.000 1.002 191 V HN 0.496 nan 8.190 nan 0.000 0.424 192 V N 4.921 124.771 119.914 -0.106 0.000 2.394 192 V HA 0.907 5.027 4.120 -0.000 0.000 0.282 192 V C 0.373 176.507 176.094 0.065 0.000 1.031 192 V CA -0.030 62.282 62.300 0.019 0.000 0.881 192 V CB 1.384 33.171 31.823 -0.061 0.000 0.982 192 V HN 1.141 nan 8.190 nan 0.000 0.451 193 A N 6.424 129.348 122.820 0.173 0.000 2.312 193 A HA 0.790 5.109 4.320 -0.000 0.000 0.326 193 A C -1.022 176.693 177.584 0.218 0.000 1.172 193 A CA -0.511 51.658 52.037 0.220 0.000 0.821 193 A CB 0.943 20.113 19.000 0.285 0.000 1.166 193 A HN 1.074 nan 8.150 nan 0.000 0.493 194 F N 2.085 122.041 119.950 0.010 0.000 2.426 194 F HA 0.427 4.954 4.527 -0.000 0.000 0.348 194 F C 0.142 175.905 175.800 -0.061 0.000 1.124 194 F CA -0.577 57.361 58.000 -0.103 0.000 1.008 194 F CB 1.479 40.425 39.000 -0.090 0.000 1.139 194 F HN 0.550 nan 8.300 nan 0.000 0.452 195 Q N 3.873 123.235 119.800 -0.730 0.000 2.259 195 Q HA 0.453 4.793 4.340 -0.000 0.000 0.249 195 Q C -0.821 174.524 176.000 -1.091 0.000 0.914 195 Q CA 0.112 55.542 55.803 -0.622 0.000 0.904 195 Q CB 1.638 30.261 28.738 -0.192 0.000 1.213 195 Q HN 0.870 nan 8.270 nan 0.000 0.428 196 T N 1.979 116.104 114.554 -0.715 0.000 3.128 196 T HA 0.432 4.782 4.350 -0.000 0.000 0.363 196 T C -0.804 173.718 174.700 -0.297 0.000 1.610 196 T CA -0.560 61.213 62.100 -0.545 0.000 1.126 196 T CB 0.487 69.055 68.868 -0.500 0.000 1.416 196 T HN 0.778 nan 8.240 nan 0.000 0.480 197 R N 2.229 122.624 120.500 -0.174 0.000 2.572 197 R HA 0.464 4.804 4.340 -0.000 0.000 0.370 197 R C -0.085 176.207 176.300 -0.012 0.000 1.005 197 R CA -0.620 55.431 56.100 -0.081 0.000 1.146 197 R CB 0.009 30.260 30.300 -0.083 0.000 1.390 197 R HN 0.410 nan 8.270 nan 0.000 0.553 198 N N 0.542 119.239 118.700 -0.003 0.000 2.509 198 N HA 0.453 5.192 4.740 -0.000 0.000 0.280 198 N C -2.999 172.499 175.510 -0.021 0.000 1.306 198 N CA -2.210 50.835 53.050 -0.008 0.000 0.782 198 N CB 2.152 40.626 38.487 -0.022 0.000 1.493 198 N HN -0.163 nan 8.380 nan 0.000 0.498 199 P HA 0.145 nan 4.420 nan 0.000 0.272 199 P C -1.018 176.038 177.300 -0.406 0.000 1.223 199 P CA 0.242 63.166 63.100 -0.294 0.000 0.784 199 P CB 0.632 32.175 31.700 -0.263 0.000 0.923 200 M N 2.153 121.550 119.600 -0.338 0.000 2.363 200 M HA 0.322 4.802 4.480 -0.000 0.000 0.343 200 M C 0.239 176.360 176.300 -0.299 0.000 1.165 200 M CA -0.368 54.761 55.300 -0.286 0.000 1.046 200 M CB 1.110 33.733 32.600 0.039 0.000 1.648 200 M HN 0.420 nan 8.290 nan 0.000 0.452 201 H N 0.373 119.620 119.070 0.294 0.000 2.858 201 H HA 0.386 4.941 4.556 -0.000 0.000 0.318 201 H C 0.413 175.669 175.328 -0.121 0.000 1.419 201 H CA -0.740 55.259 56.048 -0.080 0.000 1.373 201 H CB 0.906 30.350 29.762 -0.531 0.000 1.915 201 H HN 0.644 nan 8.280 nan 0.000 0.704 202 R N 0.427 120.804 120.500 -0.204 0.000 2.103 202 R HA -0.164 4.176 4.340 -0.000 0.000 0.242 202 R C 1.868 177.922 176.300 -0.410 0.000 1.142 202 R CA 1.695 57.634 56.100 -0.268 0.000 0.960 202 R CB -0.372 29.658 30.300 -0.450 0.000 0.858 202 R HN 0.648 nan 8.270 nan 0.000 0.439 203 A N 0.801 123.170 122.820 -0.751 0.000 1.892 203 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 203 A C 1.896 179.105 177.584 -0.625 0.000 1.188 203 A CA 1.719 53.140 52.037 -1.027 0.000 0.631 203 A CB -0.890 17.492 19.000 -1.029 0.000 0.822 203 A HN 0.483 nan 8.150 nan 0.000 0.447 204 H N -1.061 117.841 119.070 -0.280 0.000 2.353 204 H HA -0.092 4.464 4.556 -0.000 0.000 0.300 204 H C 2.256 177.425 175.328 -0.265 0.000 1.090 204 H CA 1.602 57.510 56.048 -0.233 0.000 1.327 204 H CB -0.248 29.423 29.762 -0.153 0.000 1.383 204 H HN 0.400 nan 8.280 nan 0.000 0.508 205 R N 1.478 121.913 120.500 -0.108 0.000 2.092 205 R HA -0.107 4.232 4.340 -0.000 0.000 0.231 205 R C 1.623 177.757 176.300 -0.276 0.000 1.119 205 R CA 1.012 56.967 56.100 -0.241 0.000 0.970 205 R CB 0.165 30.332 30.300 -0.221 0.000 0.864 205 R HN 0.361 nan 8.270 nan 0.000 0.440 206 E N 0.749 120.805 120.200 -0.240 0.000 2.051 206 E HA -0.087 4.263 4.350 -0.000 0.000 0.189 206 E C 2.244 178.718 176.600 -0.210 0.000 0.979 206 E CA 0.689 56.969 56.400 -0.201 0.000 0.803 206 E CB -0.349 29.242 29.700 -0.181 0.000 0.761 206 E HN 0.325 nan 8.360 nan 0.000 0.451 207 L N 0.809 121.837 121.223 -0.325 0.000 2.127 207 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 207 L C 2.536 179.308 176.870 -0.164 0.000 1.089 207 L CA 1.214 55.761 54.840 -0.488 0.000 0.757 207 L CB -0.493 40.916 42.059 -1.082 0.000 0.899 207 L HN 0.148 nan 8.230 nan 0.000 0.434 208 T N -0.821 113.732 114.554 -0.001 0.000 2.770 208 T HA -0.111 4.239 4.350 -0.000 0.000 0.263 208 T C 1.935 176.703 174.700 0.114 0.000 1.039 208 T CA 1.050 63.238 62.100 0.148 0.000 1.142 208 T CB 0.047 68.961 68.868 0.077 0.000 0.868 208 T HN 0.040 nan 8.240 nan 0.000 0.435 209 V N 1.423 121.370 119.914 0.054 0.000 2.515 209 V HA -0.101 4.019 4.120 -0.000 0.000 0.250 209 V C 2.546 178.640 176.094 -0.001 0.000 1.058 209 V CA 1.538 63.862 62.300 0.040 0.000 1.064 209 V CB -0.560 31.240 31.823 -0.038 0.000 0.675 209 V HN 0.347 nan 8.190 nan 0.000 0.461 210 R N 0.150 120.636 120.500 -0.023 0.000 2.075 210 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 210 R C 2.360 178.660 176.300 0.001 0.000 1.126 210 R CA 1.562 57.645 56.100 -0.029 0.000 0.963 210 R CB -0.415 29.845 30.300 -0.067 0.000 0.858 210 R HN 0.478 nan 8.270 nan 0.000 0.435 211 A N 0.915 123.769 122.820 0.056 0.000 1.883 211 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 211 A C 2.378 179.945 177.584 -0.029 0.000 1.186 211 A CA 1.878 53.961 52.037 0.076 0.000 0.624 211 A CB -0.926 18.183 19.000 0.183 0.000 0.822 211 A HN 0.540 nan 8.150 nan 0.000 0.444 212 A N -0.493 122.303 122.820 -0.040 0.000 1.917 212 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 212 A C 2.278 179.793 177.584 -0.115 0.000 1.182 212 A CA 1.999 53.968 52.037 -0.112 0.000 0.633 212 A CB -0.528 18.417 19.000 -0.092 0.000 0.819 212 A HN 0.574 nan 8.150 nan 0.000 0.448 213 R N -0.383 120.075 120.500 -0.069 0.000 2.066 213 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 213 R C 2.037 178.299 176.300 -0.064 0.000 1.131 213 R CA 1.753 57.815 56.100 -0.063 0.000 0.955 213 R CB -0.246 30.030 30.300 -0.041 0.000 0.851 213 R HN 0.680 nan 8.270 nan 0.000 0.432 214 E N -0.787 119.383 120.200 -0.050 0.000 2.208 214 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 214 E C 1.357 177.921 176.600 -0.060 0.000 0.988 214 E CA 0.896 57.273 56.400 -0.038 0.000 0.828 214 E CB 0.197 29.892 29.700 -0.009 0.000 0.763 214 E HN 0.415 nan 8.360 nan 0.000 0.478 215 A N 0.790 123.537 122.820 -0.121 0.000 2.267 215 A HA 0.034 4.354 4.320 -0.000 0.000 0.213 215 A C 0.356 177.784 177.584 -0.260 0.000 1.192 215 A CA -0.216 51.688 52.037 -0.222 0.000 0.851 215 A CB 0.158 18.888 19.000 -0.450 0.000 0.881 215 A HN 0.152 nan 8.150 nan 0.000 0.494 216 N N -1.074 117.509 118.700 -0.195 0.000 2.735 216 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 216 N C 0.073 175.430 175.510 -0.254 0.000 1.083 216 N CA 0.975 53.914 53.050 -0.185 0.000 0.703 216 N CB -1.445 36.958 38.487 -0.141 0.000 1.005 216 N HN 0.813 nan 8.380 nan 0.000 0.550 217 A N -0.453 122.178 122.820 -0.315 0.000 2.387 217 A HA 0.739 5.059 4.320 -0.000 0.000 0.303 217 A C 0.251 177.581 177.584 -0.423 0.000 1.145 217 A CA -0.625 51.187 52.037 -0.375 0.000 0.801 217 A CB 1.740 20.476 19.000 -0.440 0.000 1.342 217 A HN 0.002 nan 8.150 nan 0.000 0.440 218 K N -0.151 119.889 120.400 -0.599 0.000 2.109 218 K HA 0.572 4.892 4.320 -0.000 0.000 0.243 218 K C -0.767 175.505 176.600 -0.547 0.000 1.006 218 K CA -0.440 55.328 56.287 -0.864 0.000 0.917 218 K CB 1.497 32.796 32.500 -2.001 0.000 1.081 218 K HN 0.374 nan 8.250 nan 0.000 0.468 219 V N 2.328 121.987 119.914 -0.426 0.000 2.435 219 V HA 0.258 4.378 4.120 -0.000 0.000 0.290 219 V C -0.507 175.587 176.094 -0.001 0.000 1.030 219 V CA -0.958 61.237 62.300 -0.176 0.000 0.881 219 V CB 1.329 33.055 31.823 -0.161 0.000 0.983 219 V HN 0.475 nan 8.190 nan 0.000 0.445 220 L N 7.012 128.277 121.223 0.070 0.000 2.295 220 L HA 0.588 4.928 4.340 -0.000 0.000 0.281 220 L C -0.409 176.532 176.870 0.119 0.000 1.018 220 L CA 0.155 55.108 54.840 0.188 0.000 0.841 220 L CB 0.914 43.104 42.059 0.219 0.000 1.218 220 L HN 0.551 nan 8.230 nan 0.000 0.424 221 I N 5.290 125.891 120.570 0.053 0.000 2.308 221 I HA 0.133 4.303 4.170 -0.000 0.000 0.293 221 I C 0.090 176.198 176.117 -0.016 0.000 1.078 221 I CA 0.105 61.420 61.300 0.025 0.000 1.292 221 I CB 0.068 38.015 38.000 -0.087 0.000 1.423 221 I HN 0.618 nan 8.210 nan 0.000 0.493 222 H N 7.667 126.646 119.070 -0.153 0.000 2.482 222 H HA 0.302 4.858 4.556 -0.000 0.000 0.231 222 H C -2.361 172.735 175.328 -0.388 0.000 1.612 222 H CA -2.164 53.728 56.048 -0.259 0.000 1.279 222 H CB 0.559 30.195 29.762 -0.210 0.000 1.562 222 H HN 0.332 nan 8.280 nan 0.000 0.553 223 P HA -0.048 nan 4.420 nan 0.000 0.271 223 P C -0.305 176.714 177.300 -0.469 0.000 1.216 223 P CA -0.210 62.551 63.100 -0.565 0.000 0.776 223 P CB 1.414 32.579 31.700 -0.890 0.000 0.881 224 V N 4.169 123.850 119.914 -0.387 0.000 2.455 224 V HA 0.068 4.188 4.120 -0.000 0.000 0.273 224 V C 1.360 177.313 176.094 -0.236 0.000 1.045 224 V CA 0.334 62.429 62.300 -0.341 0.000 0.976 224 V CB 0.975 32.627 31.823 -0.286 0.000 0.993 224 V HN 0.510 nan 8.190 nan 0.000 0.475 225 V N 1.958 121.702 119.914 -0.283 0.000 3.432 225 V HA 0.453 4.573 4.120 -0.000 0.000 0.298 225 V C 1.301 177.153 176.094 -0.402 0.000 1.464 225 V CA 0.936 63.038 62.300 -0.331 0.000 1.046 225 V CB 0.086 31.665 31.823 -0.406 0.000 0.887 225 V HN 0.716 nan 8.190 nan 0.000 0.441 226 G N 1.205 109.849 108.800 -0.259 0.000 2.572 226 G HA2 0.338 4.298 3.960 -0.000 0.000 0.214 226 G HA3 0.338 4.298 3.960 -0.000 0.000 0.214 226 G C 0.352 175.196 174.900 -0.094 0.000 1.246 226 G CA 0.344 45.342 45.100 -0.170 0.000 0.835 226 G HN 0.379 nan 8.290 nan 0.000 0.551 227 L N 1.149 122.335 121.223 -0.061 0.000 2.528 227 L HA 0.356 4.696 4.340 -0.000 0.000 0.267 227 L C 0.176 177.033 176.870 -0.022 0.000 0.961 227 L CA -0.676 54.152 54.840 -0.020 0.000 0.866 227 L CB 2.332 44.390 42.059 -0.003 0.000 1.248 227 L HN 0.505 nan 8.230 nan 0.000 0.404 228 T N -1.019 113.527 114.554 -0.013 0.000 2.850 228 T HA 0.332 4.682 4.350 -0.000 0.000 0.269 228 T C 0.095 174.791 174.700 -0.006 0.000 1.075 228 T CA -0.654 61.437 62.100 -0.015 0.000 0.987 228 T CB 1.036 69.895 68.868 -0.015 0.000 1.889 228 T HN 0.371 nan 8.240 nan 0.000 0.584 229 K N 2.038 122.434 120.400 -0.007 0.000 2.298 229 K HA 0.301 4.621 4.320 -0.000 0.000 0.280 229 K C -2.553 174.053 176.600 0.009 0.000 1.032 229 K CA -1.900 54.381 56.287 -0.010 0.000 0.958 229 K CB 0.088 32.578 32.500 -0.016 0.000 0.978 229 K HN 0.237 nan 8.250 nan 0.000 0.472 230 P HA -0.002 nan 4.420 nan 0.000 0.263 230 P C -0.038 177.283 177.300 0.035 0.000 1.195 230 P CA 0.817 63.937 63.100 0.033 0.000 0.762 230 P CB 0.639 32.365 31.700 0.044 0.000 0.799 231 G N 1.921 110.744 108.800 0.039 0.000 2.141 231 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.231 231 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.231 231 G C 0.028 174.949 174.900 0.035 0.000 0.984 231 G CA -0.251 44.872 45.100 0.038 0.000 0.660 231 G HN 0.470 nan 8.290 nan 0.000 0.525 232 D N -0.429 119.991 120.400 0.034 0.000 2.478 232 D HA 0.588 5.228 4.640 -0.000 0.000 0.274 232 D C 1.366 177.684 176.300 0.030 0.000 1.234 232 D CA -0.403 53.615 54.000 0.031 0.000 1.069 232 D CB 0.545 41.360 40.800 0.026 0.000 1.113 232 D HN 0.258 nan 8.370 nan 0.000 0.571 233 I N 1.570 122.155 120.570 0.024 0.000 2.588 233 I HA 0.052 4.221 4.170 -0.000 0.000 0.283 233 I C 0.633 176.762 176.117 0.021 0.000 1.119 233 I CA -0.477 60.832 61.300 0.014 0.000 1.419 233 I CB 0.260 38.258 38.000 -0.004 0.000 1.394 233 I HN 0.362 nan 8.210 nan 0.000 0.562 234 D N 6.510 126.921 120.400 0.019 0.000 2.478 234 D HA -0.158 4.482 4.640 -0.000 0.000 0.234 234 D C 1.212 177.510 176.300 -0.004 0.000 1.154 234 D CA 0.029 54.043 54.000 0.025 0.000 0.874 234 D CB 0.591 41.399 40.800 0.013 0.000 1.198 234 D HN 0.725 nan 8.370 nan 0.000 0.455 235 H N 1.782 120.853 119.070 0.000 0.000 2.421 235 H HA -0.169 4.387 4.556 -0.000 0.000 0.298 235 H C 1.233 176.534 175.328 -0.045 0.000 1.087 235 H CA 1.180 57.198 56.048 -0.051 0.000 1.330 235 H CB -0.537 29.165 29.762 -0.100 0.000 1.388 235 H HN 0.556 nan 8.280 nan 0.000 0.526 236 H N 0.947 119.729 119.070 -0.480 0.000 2.319 236 H HA -0.091 4.465 4.556 -0.000 0.000 0.297 236 H C 2.010 177.296 175.328 -0.070 0.000 1.097 236 H CA 2.179 58.138 56.048 -0.149 0.000 1.285 236 H CB -0.251 29.396 29.762 -0.192 0.000 1.368 236 H HN 0.424 nan 8.280 nan 0.000 0.495 237 T N 0.961 115.520 114.554 0.009 0.000 2.737 237 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 237 T C 2.188 176.790 174.700 -0.163 0.000 1.038 237 T CA 0.910 62.980 62.100 -0.052 0.000 1.144 237 T CB 0.013 68.852 68.868 -0.049 0.000 0.866 237 T HN 0.361 nan 8.240 nan 0.000 0.434 238 R N 0.375 120.747 120.500 -0.214 0.000 2.081 238 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 238 R C 2.499 178.321 176.300 -0.797 0.000 1.131 238 R CA 1.023 56.817 56.100 -0.511 0.000 0.960 238 R CB -0.774 29.349 30.300 -0.296 0.000 0.856 238 R HN 0.240 nan 8.270 nan 0.000 0.436 239 V N 1.017 120.752 119.914 -0.299 0.000 2.343 239 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 239 V C 2.366 178.335 176.094 -0.209 0.000 1.051 239 V CA 1.690 63.884 62.300 -0.176 0.000 1.036 239 V CB -0.492 31.055 31.823 -0.459 0.000 0.654 239 V HN 0.308 nan 8.190 nan 0.000 0.451 240 R N -0.576 119.825 120.500 -0.165 0.000 2.081 240 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 240 R C 2.239 178.453 176.300 -0.143 0.000 1.131 240 R CA 1.454 57.496 56.100 -0.096 0.000 0.960 240 R CB -0.475 29.800 30.300 -0.042 0.000 0.856 240 R HN 0.411 nan 8.270 nan 0.000 0.436 241 V N 0.171 119.927 119.914 -0.263 0.000 2.358 241 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 241 V C 1.845 177.806 176.094 -0.221 0.000 1.047 241 V CA 1.636 63.773 62.300 -0.272 0.000 1.035 241 V CB -0.547 31.036 31.823 -0.400 0.000 0.658 241 V HN 0.238 nan 8.190 nan 0.000 0.452 242 Y N 0.778 121.025 120.300 -0.089 0.000 2.163 242 Y HA -0.196 4.354 4.550 -0.000 0.000 0.288 242 Y C 2.665 178.509 175.900 -0.093 0.000 1.136 242 Y CA 1.085 59.131 58.100 -0.090 0.000 1.147 242 Y CB -1.048 37.337 38.460 -0.124 0.000 0.987 242 Y HN 0.303 nan 8.280 nan 0.000 0.509 243 Q N -0.377 119.441 119.800 0.030 0.000 2.226 243 Q HA -0.232 4.107 4.340 -0.000 0.000 0.204 243 Q C 1.960 177.949 176.000 -0.019 0.000 0.975 243 Q CA 1.653 57.444 55.803 -0.020 0.000 0.866 243 Q CB -0.094 28.619 28.738 -0.042 0.000 0.915 243 Q HN 0.406 nan 8.270 nan 0.000 0.440 244 E N 1.048 121.232 120.200 -0.027 0.000 2.086 244 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 244 E C 1.589 178.153 176.600 -0.059 0.000 0.975 244 E CA 0.547 56.923 56.400 -0.040 0.000 0.813 244 E CB -0.071 29.602 29.700 -0.045 0.000 0.768 244 E HN 0.290 nan 8.360 nan 0.000 0.457 245 I N 0.415 120.964 120.570 -0.036 0.000 2.546 245 I HA -0.149 4.021 4.170 -0.000 0.000 0.255 245 I C 1.857 178.024 176.117 0.084 0.000 1.163 245 I CA 0.283 61.549 61.300 -0.056 0.000 1.457 245 I CB 0.045 38.065 38.000 0.032 0.000 1.092 245 I HN 0.258 nan 8.210 nan 0.000 0.434 246 I N 1.162 121.795 120.570 0.105 0.000 2.423 246 I HA -0.262 3.908 4.170 -0.000 0.000 0.254 246 I C 1.984 178.188 176.117 0.146 0.000 1.151 246 I CA 1.563 62.928 61.300 0.109 0.000 1.421 246 I CB -0.597 37.384 38.000 -0.031 0.000 1.079 246 I HN 0.202 nan 8.210 nan 0.000 0.431 247 K N 0.390 120.820 120.400 0.049 0.000 2.486 247 K HA -0.004 4.316 4.320 -0.000 0.000 0.194 247 K C 1.474 178.069 176.600 -0.009 0.000 1.033 247 K CA 0.280 56.579 56.287 0.020 0.000 1.004 247 K CB -0.112 32.376 32.500 -0.020 0.000 0.798 247 K HN 0.270 nan 8.250 nan 0.000 0.495 248 R N 0.139 120.598 120.500 -0.068 0.000 2.334 248 R HA 0.110 4.450 4.340 -0.000 0.000 0.220 248 R C -0.068 176.131 176.300 -0.168 0.000 0.917 248 R CA 0.020 55.983 56.100 -0.228 0.000 1.073 248 R CB -0.155 29.758 30.300 -0.644 0.000 1.056 248 R HN 0.121 nan 8.270 nan 0.000 0.506 249 Y N 0.689 120.945 120.300 -0.074 0.000 2.387 249 Y HA 0.348 4.897 4.550 -0.000 0.000 0.330 249 Y C -1.693 174.201 175.900 -0.011 0.000 1.133 249 Y CA -2.886 55.193 58.100 -0.034 0.000 1.152 249 Y CB 0.461 38.909 38.460 -0.020 0.000 1.215 249 Y HN -0.097 nan 8.280 nan 0.000 0.466 250 P HA -0.053 nan 4.420 nan 0.000 0.266 250 P C -0.705 176.663 177.300 0.114 0.000 1.193 250 P CA 0.051 63.208 63.100 0.094 0.000 0.770 250 P CB 0.432 32.172 31.700 0.066 0.000 0.836 251 N N 1.724 120.478 118.700 0.090 0.000 2.412 251 N HA 0.102 4.842 4.740 -0.000 0.000 0.258 251 N C 1.250 176.831 175.510 0.118 0.000 1.236 251 N CA 1.260 54.369 53.050 0.098 0.000 0.882 251 N CB 0.068 38.600 38.487 0.076 0.000 1.066 251 N HN 0.782 nan 8.380 nan 0.000 0.465 252 G N 1.729 110.627 108.800 0.163 0.000 2.148 252 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 252 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 252 G C 0.681 175.740 174.900 0.265 0.000 0.981 252 G CA -0.305 44.940 45.100 0.243 0.000 0.670 252 G HN 0.564 nan 8.290 nan 0.000 0.528 253 I N 0.165 120.829 120.570 0.156 0.000 3.339 253 I HA 0.432 4.602 4.170 -0.000 0.000 0.285 253 I C 1.626 177.711 176.117 -0.054 0.000 1.201 253 I CA 1.436 62.734 61.300 -0.003 0.000 1.434 253 I CB -0.203 37.816 38.000 0.032 0.000 1.152 253 I HN 0.462 nan 8.210 nan 0.000 0.443 254 A N 0.192 123.046 122.820 0.057 0.000 2.384 254 A HA 0.659 4.979 4.320 -0.000 0.000 0.312 254 A C -1.483 176.287 177.584 0.311 0.000 1.113 254 A CA -0.303 51.727 52.037 -0.011 0.000 0.779 254 A CB 1.919 20.538 19.000 -0.636 0.000 1.307 254 A HN 0.060 nan 8.150 nan 0.000 0.436 255 F N 0.918 120.966 119.950 0.164 0.000 2.569 255 F HA 0.635 5.162 4.527 -0.000 0.000 0.312 255 F C -1.359 174.458 175.800 0.029 0.000 1.109 255 F CA -1.022 57.054 58.000 0.127 0.000 0.919 255 F CB 1.922 41.039 39.000 0.196 0.000 1.211 255 F HN 0.531 nan 8.300 nan 0.000 0.446 256 L N 4.614 125.343 121.223 -0.822 0.000 2.309 256 L HA 0.786 5.125 4.340 -0.000 0.000 0.282 256 L C -0.895 175.580 176.870 -0.659 0.000 1.036 256 L CA 0.051 54.559 54.840 -0.554 0.000 0.806 256 L CB 1.472 43.289 42.059 -0.403 0.000 1.220 256 L HN 0.569 nan 8.230 nan 0.000 0.429 257 S N 4.637 120.187 115.700 -0.251 0.000 2.543 257 S HA 0.659 5.128 4.470 -0.000 0.000 0.271 257 S C -1.218 173.359 174.600 -0.040 0.000 1.148 257 S CA -0.729 57.422 58.200 -0.083 0.000 0.914 257 S CB 0.732 64.009 63.200 0.128 0.000 1.096 257 S HN 0.600 nan 8.310 nan 0.000 0.471 258 L N 3.669 124.819 121.223 -0.123 0.000 2.334 258 L HA 0.632 4.972 4.340 -0.000 0.000 0.277 258 L C -0.594 176.082 176.870 -0.323 0.000 1.075 258 L CA -0.986 53.711 54.840 -0.239 0.000 0.804 258 L CB 1.109 43.027 42.059 -0.235 0.000 1.174 258 L HN 0.520 nan 8.230 nan 0.000 0.438 259 L N 5.418 126.319 121.223 -0.536 0.000 2.298 259 L HA 0.473 4.813 4.340 -0.000 0.000 0.284 259 L C -2.146 174.476 176.870 -0.413 0.000 1.013 259 L CA -1.592 52.870 54.840 -0.630 0.000 0.824 259 L CB 1.434 42.848 42.059 -1.074 0.000 1.221 259 L HN 0.239 nan 8.230 nan 0.000 0.418 260 P HA 0.030 nan 4.420 nan 0.000 0.279 260 P C -0.322 176.874 177.300 -0.175 0.000 1.451 260 P CA -0.044 62.930 63.100 -0.211 0.000 0.783 260 P CB -0.259 31.375 31.700 -0.110 0.000 1.490 261 L N 0.350 121.431 121.223 -0.236 0.000 2.461 261 L HA 0.372 4.712 4.340 -0.000 0.000 0.272 261 L C 0.184 177.004 176.870 -0.083 0.000 1.197 261 L CA -0.283 54.447 54.840 -0.183 0.000 0.836 261 L CB 0.159 42.026 42.059 -0.321 0.000 1.105 261 L HN -0.033 nan 8.230 nan 0.000 0.477 262 A N 6.754 129.604 122.820 0.051 0.000 2.316 262 A HA 0.535 4.855 4.320 -0.000 0.000 0.324 262 A C -0.070 177.628 177.584 0.190 0.000 1.375 262 A CA -0.671 51.421 52.037 0.091 0.000 0.882 262 A CB -0.050 19.023 19.000 0.122 0.000 1.152 262 A HN 0.812 nan 8.150 nan 0.000 0.512 263 M N 0.867 120.540 119.600 0.122 0.000 2.232 263 M HA 0.202 4.681 4.480 -0.000 0.000 0.321 263 M C 1.174 177.585 176.300 0.185 0.000 1.101 263 M CA 0.212 55.645 55.300 0.222 0.000 1.181 263 M CB 0.556 33.234 32.600 0.130 0.000 1.432 263 M HN 0.686 nan 8.290 nan 0.000 0.457 264 R N 0.628 121.270 120.500 0.236 0.000 2.373 264 R HA 0.290 4.630 4.340 -0.000 0.000 0.221 264 R C -0.339 175.996 176.300 0.058 0.000 0.893 264 R CA 0.257 56.397 56.100 0.067 0.000 1.049 264 R CB 0.398 30.744 30.300 0.077 0.000 1.119 264 R HN 0.700 nan 8.270 nan 0.000 0.535 265 M N -0.050 119.600 119.600 0.083 0.000 2.427 265 M HA -0.189 4.291 4.480 -0.000 0.000 0.204 265 M C 0.249 176.615 176.300 0.111 0.000 0.413 265 M CA 0.653 55.959 55.300 0.011 0.000 0.507 265 M CB -2.804 29.729 32.600 -0.112 0.000 1.823 265 M HN 0.062 nan 8.290 nan 0.000 0.859 266 S N -0.602 115.201 115.700 0.172 0.000 2.552 266 S HA 0.463 4.933 4.470 -0.000 0.000 0.246 266 S C 1.719 176.198 174.600 -0.201 0.000 1.019 266 S CA 0.825 59.218 58.200 0.322 0.000 1.045 266 S CB -0.216 63.247 63.200 0.440 0.000 0.784 266 S HN 0.909 nan 8.310 nan 0.000 0.453 267 G N 2.526 110.998 108.800 -0.546 0.000 3.087 267 G HA2 -0.497 3.463 3.960 -0.000 0.000 0.316 267 G HA3 -0.497 3.463 3.960 -0.000 0.000 0.316 267 G C 0.832 175.453 174.900 -0.465 0.000 0.941 267 G CA 1.359 46.020 45.100 -0.732 0.000 0.798 267 G HN 0.543 nan 8.290 nan 0.000 1.045 268 D N 0.116 120.204 120.400 -0.521 0.000 2.633 268 D HA -0.180 4.460 4.640 -0.000 0.000 0.206 268 D C 2.728 178.995 176.300 -0.055 0.000 1.055 268 D CA 2.005 55.944 54.000 -0.101 0.000 0.903 268 D CB -0.390 40.498 40.800 0.145 0.000 1.115 268 D HN 0.548 nan 8.370 nan 0.000 0.479 269 R N -0.088 120.405 120.500 -0.012 0.000 2.083 269 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 269 R C 2.377 178.631 176.300 -0.078 0.000 1.137 269 R CA 1.512 57.586 56.100 -0.044 0.000 0.951 269 R CB -0.356 29.898 30.300 -0.077 0.000 0.851 269 R HN 0.361 nan 8.270 nan 0.000 0.434 270 E N 0.793 120.953 120.200 -0.066 0.000 2.130 270 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 270 E C 1.845 178.285 176.600 -0.267 0.000 0.998 270 E CA 1.624 57.998 56.400 -0.042 0.000 0.806 270 E CB -0.089 29.569 29.700 -0.070 0.000 0.738 270 E HN 0.391 nan 8.360 nan 0.000 0.459 271 A N 0.142 122.815 122.820 -0.245 0.000 1.877 271 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 271 A C 2.477 179.988 177.584 -0.121 0.000 1.186 271 A CA 1.668 53.531 52.037 -0.290 0.000 0.620 271 A CB -0.811 17.998 19.000 -0.318 0.000 0.822 271 A HN 0.225 nan 8.150 nan 0.000 0.443 272 V N -1.933 117.940 119.914 -0.069 0.000 2.332 272 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 272 V C 2.217 178.240 176.094 -0.118 0.000 1.055 272 V CA 1.938 64.208 62.300 -0.051 0.000 1.038 272 V CB -1.010 30.812 31.823 -0.001 0.000 0.651 272 V HN 0.861 nan 8.190 nan 0.000 0.450 273 W N 0.932 122.009 121.300 -0.372 0.000 2.338 273 W HA -0.173 4.486 4.660 -0.000 0.000 0.304 273 W C 2.525 178.872 176.519 -0.286 0.000 1.212 273 W CA 1.931 58.988 57.345 -0.480 0.000 1.264 273 W CB -0.830 28.344 29.460 -0.477 0.000 1.142 273 W HN 0.411 nan 8.180 nan 0.000 0.512 274 H N -0.963 117.942 119.070 -0.276 0.000 2.353 274 H HA -0.118 4.438 4.556 -0.000 0.000 0.300 274 H C 2.297 177.082 175.328 -0.906 0.000 1.090 274 H CA 1.224 56.951 56.048 -0.534 0.000 1.327 274 H CB -0.373 29.247 29.762 -0.236 0.000 1.383 274 H HN 0.181 nan 8.280 nan 0.000 0.508 275 A N 1.095 123.509 122.820 -0.677 0.000 1.902 275 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 275 A C 2.405 179.748 177.584 -0.402 0.000 1.181 275 A CA 1.302 52.941 52.037 -0.662 0.000 0.623 275 A CB -0.671 18.207 19.000 -0.204 0.000 0.818 275 A HN 0.296 nan 8.150 nan 0.000 0.443 276 I N -0.347 120.021 120.570 -0.337 0.000 2.142 276 I HA -0.272 3.897 4.170 -0.000 0.000 0.240 276 I C 2.339 178.372 176.117 -0.141 0.000 1.078 276 I CA 1.475 62.590 61.300 -0.309 0.000 1.343 276 I CB -0.356 37.404 38.000 -0.399 0.000 1.046 276 I HN 0.314 nan 8.210 nan 0.000 0.405 277 I N 0.374 120.852 120.570 -0.154 0.000 2.163 277 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 277 I C 2.642 178.831 176.117 0.119 0.000 1.085 277 I CA 1.244 62.554 61.300 0.016 0.000 1.347 277 I CB -0.487 37.439 38.000 -0.124 0.000 1.044 277 I HN 0.224 nan 8.210 nan 0.000 0.408 278 R N 0.979 121.425 120.500 -0.090 0.000 2.096 278 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 278 R C 2.062 178.422 176.300 0.100 0.000 1.127 278 R CA 1.073 57.185 56.100 0.019 0.000 0.968 278 R CB -0.879 29.342 30.300 -0.133 0.000 0.861 278 R HN 0.444 nan 8.270 nan 0.000 0.440 279 K N 1.056 121.466 120.400 0.017 0.000 2.009 279 K HA -0.135 4.185 4.320 -0.000 0.000 0.210 279 K C 1.580 178.244 176.600 0.107 0.000 1.049 279 K CA 1.518 57.840 56.287 0.058 0.000 0.929 279 K CB -0.042 32.465 32.500 0.011 0.000 0.714 279 K HN 0.061 nan 8.250 nan 0.000 0.440 280 N N 0.037 118.803 118.700 0.109 0.000 2.205 280 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 280 N C 1.347 176.862 175.510 0.007 0.000 1.015 280 N CA 1.164 54.255 53.050 0.068 0.000 0.862 280 N CB -0.272 38.255 38.487 0.067 0.000 0.986 280 N HN 0.320 nan 8.380 nan 0.000 0.429 281 Y N -0.227 120.099 120.300 0.042 0.000 2.529 281 Y HA 0.155 4.705 4.550 -0.000 0.000 0.290 281 Y C 1.702 177.658 175.900 0.093 0.000 1.177 281 Y CA 0.568 58.682 58.100 0.023 0.000 1.305 281 Y CB 0.126 38.583 38.460 -0.005 0.000 1.047 281 Y HN 0.171 nan 8.280 nan 0.000 0.522 282 G N -0.727 108.229 108.800 0.261 0.000 2.168 282 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.197 282 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.197 282 G C 0.073 175.158 174.900 0.309 0.000 0.997 282 G CA -0.264 45.037 45.100 0.335 0.000 0.658 282 G HN 0.523 nan 8.290 nan 0.000 0.513 283 A N 0.692 123.649 122.820 0.228 0.000 2.328 283 A HA 0.763 5.083 4.320 -0.000 0.000 0.284 283 A C 1.454 179.115 177.584 0.129 0.000 1.160 283 A CA 0.956 53.084 52.037 0.152 0.000 0.818 283 A CB 0.752 19.848 19.000 0.160 0.000 1.087 283 A HN 1.464 nan 8.150 nan 0.000 0.504 284 S N 1.652 117.433 115.700 0.136 0.000 2.478 284 S HA 0.084 4.554 4.470 -0.000 0.000 0.222 284 S C 0.615 175.214 174.600 -0.002 0.000 1.008 284 S CA 0.459 58.719 58.200 0.100 0.000 0.928 284 S CB -0.195 63.104 63.200 0.165 0.000 0.781 284 S HN 0.785 nan 8.310 nan 0.000 0.518 285 H N -0.547 118.561 119.070 0.063 0.000 2.637 285 H HA 0.569 5.125 4.556 -0.000 0.000 0.363 285 H C -2.011 173.427 175.328 0.183 0.000 1.131 285 H CA -0.741 55.361 56.048 0.089 0.000 1.183 285 H CB 1.796 31.575 29.762 0.030 0.000 1.637 285 H HN 0.259 nan 8.280 nan 0.000 0.531 286 F N 2.765 122.771 119.950 0.094 0.000 2.539 286 F HA 0.394 4.921 4.527 -0.000 0.000 0.318 286 F C -0.992 174.812 175.800 0.006 0.000 1.135 286 F CA -0.861 57.161 58.000 0.037 0.000 0.915 286 F CB 0.862 39.866 39.000 0.006 0.000 1.176 286 F HN 0.383 nan 8.300 nan 0.000 0.440 287 I N 6.445 126.593 120.570 -0.703 0.000 2.416 287 I HA 0.280 4.450 4.170 -0.000 0.000 0.288 287 I C -0.698 174.855 176.117 -0.941 0.000 1.051 287 I CA -0.477 60.393 61.300 -0.716 0.000 1.375 287 I CB 0.971 38.533 38.000 -0.729 0.000 1.407 287 I HN 0.249 nan 8.210 nan 0.000 0.516 288 V N 6.561 126.181 119.914 -0.489 0.000 2.350 288 V HA 0.442 4.562 4.120 -0.000 0.000 0.285 288 V C 0.738 176.831 176.094 -0.002 0.000 1.014 288 V CA -0.569 61.578 62.300 -0.256 0.000 0.831 288 V CB 1.150 32.854 31.823 -0.199 0.000 1.000 288 V HN 0.907 nan 8.190 nan 0.000 0.433 289 G N 3.513 112.421 108.800 0.181 0.000 2.621 289 G HA2 0.391 4.351 3.960 -0.000 0.000 0.271 289 G HA3 0.391 4.351 3.960 -0.000 0.000 0.271 289 G C -0.099 174.897 174.900 0.161 0.000 1.236 289 G CA -0.646 44.564 45.100 0.183 0.000 0.958 289 G HN 0.683 nan 8.290 nan 0.000 0.512 290 R N -0.435 120.143 120.500 0.131 0.000 2.491 290 R HA 0.161 4.501 4.340 -0.000 0.000 0.283 290 R C 0.122 176.425 176.300 0.006 0.000 1.072 290 R CA 0.349 56.449 56.100 -0.001 0.000 1.048 290 R CB 0.123 30.412 30.300 -0.018 0.000 0.983 290 R HN 0.636 nan 8.270 nan 0.000 0.450 291 D N 1.682 122.061 120.400 -0.035 0.000 2.701 291 D HA -0.274 4.366 4.640 -0.000 0.000 0.235 291 D C -0.789 175.536 176.300 0.041 0.000 1.155 291 D CA 1.100 55.111 54.000 0.019 0.000 0.649 291 D CB -1.272 39.549 40.800 0.035 0.000 1.050 291 D HN 0.693 nan 8.370 nan 0.000 0.425 292 H N -0.047 118.995 119.070 -0.047 0.000 3.140 292 H HA 0.255 4.811 4.556 -0.000 0.000 0.316 292 H C 1.361 176.627 175.328 -0.103 0.000 0.986 292 H CA 1.066 57.082 56.048 -0.053 0.000 1.397 292 H CB 0.303 30.036 29.762 -0.048 0.000 1.377 292 H HN 0.387 nan 8.280 nan 0.000 0.585 293 A N 3.038 125.784 122.820 -0.123 0.000 2.799 293 A HA -0.180 4.140 4.320 -0.000 0.000 0.287 293 A C 0.925 178.451 177.584 -0.097 0.000 1.484 293 A CA 0.993 52.990 52.037 -0.067 0.000 0.813 293 A CB -1.998 16.998 19.000 -0.007 0.000 1.009 293 A HN 1.051 nan 8.150 nan 0.000 0.545 294 G N -1.136 107.631 108.800 -0.055 0.000 2.356 294 G HA2 0.527 4.487 3.960 -0.000 0.000 0.298 294 G HA3 0.527 4.487 3.960 -0.000 0.000 0.298 294 G C -0.988 173.937 174.900 0.040 0.000 1.145 294 G CA -0.896 44.224 45.100 0.033 0.000 0.850 294 G HN 0.185 nan 8.290 nan 0.000 0.487 295 P HA 0.118 nan 4.420 nan 0.000 0.216 295 P C 1.359 178.719 177.300 0.100 0.000 1.153 295 P CA 1.762 64.801 63.100 -0.101 0.000 0.844 295 P CB 0.370 31.744 31.700 -0.543 0.000 0.787 296 G N -2.052 106.927 108.800 0.297 0.000 2.113 296 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.082 296 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.082 296 G C -1.200 173.907 174.900 0.346 0.000 1.155 296 G CA -0.605 44.665 45.100 0.282 0.000 1.241 296 G HN 0.123 nan 8.290 nan 0.000 0.453 297 K N 1.297 121.822 120.400 0.208 0.000 2.267 297 K HA 0.515 4.835 4.320 -0.000 0.000 0.246 297 K C 0.021 176.591 176.600 -0.050 0.000 0.954 297 K CA -0.664 55.612 56.287 -0.019 0.000 0.824 297 K CB 1.776 34.268 32.500 -0.012 0.000 1.167 297 K HN 0.707 nan 8.250 nan 0.000 0.431 298 N N -0.472 118.010 118.700 -0.365 0.000 2.531 298 N HA 0.097 4.837 4.740 -0.000 0.000 0.301 298 N C 0.595 176.070 175.510 -0.059 0.000 1.310 298 N CA -0.297 52.627 53.050 -0.211 0.000 0.949 298 N CB -0.228 38.011 38.487 -0.414 0.000 1.111 298 N HN 0.284 nan 8.380 nan 0.000 0.565 299 S N -0.440 115.249 115.700 -0.019 0.000 2.356 299 S HA -0.069 4.401 4.470 -0.000 0.000 0.223 299 S C 1.119 175.708 174.600 -0.017 0.000 1.032 299 S CA 1.180 59.381 58.200 0.003 0.000 1.005 299 S CB -0.349 62.862 63.200 0.018 0.000 0.867 299 S HN 0.552 nan 8.310 nan 0.000 0.449 300 K N 0.886 121.261 120.400 -0.042 0.000 2.546 300 K HA 0.222 4.542 4.320 -0.000 0.000 0.198 300 K C 1.115 177.685 176.600 -0.050 0.000 1.028 300 K CA 0.395 56.658 56.287 -0.039 0.000 1.150 300 K CB -0.200 32.275 32.500 -0.042 0.000 0.876 300 K HN 0.424 nan 8.250 nan 0.000 0.508 301 G N 0.889 109.655 108.800 -0.057 0.000 2.175 301 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.265 301 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.265 301 G C 0.275 175.125 174.900 -0.083 0.000 0.979 301 G CA 0.193 45.261 45.100 -0.053 0.000 0.663 301 G HN 0.186 nan 8.290 nan 0.000 0.533 302 V N 1.368 121.198 119.914 -0.140 0.000 2.649 302 V HA 0.310 4.430 4.120 -0.000 0.000 0.292 302 V C 0.529 176.468 176.094 -0.258 0.000 1.055 302 V CA -0.744 61.456 62.300 -0.167 0.000 1.023 302 V CB 1.362 33.078 31.823 -0.179 0.000 0.992 302 V HN 0.273 nan 8.190 nan 0.000 0.480 303 D N 2.635 122.941 120.400 -0.157 0.000 2.345 303 D HA 0.187 4.827 4.640 -0.000 0.000 0.247 303 D C 0.629 176.831 176.300 -0.163 0.000 1.108 303 D CA 0.034 53.969 54.000 -0.108 0.000 0.894 303 D CB 1.336 42.147 40.800 0.018 0.000 1.203 303 D HN 0.424 nan 8.370 nan 0.000 0.430 304 F N 0.480 120.432 119.950 0.002 0.000 2.206 304 F HA -0.068 4.458 4.527 -0.000 0.000 0.298 304 F C 0.650 176.254 175.800 -0.327 0.000 1.090 304 F CA 0.886 58.809 58.000 -0.129 0.000 1.323 304 F CB 0.061 39.010 39.000 -0.085 0.000 1.028 304 F HN 0.320 nan 8.300 nan 0.000 0.492 305 Y N -1.065 119.385 120.300 0.249 0.000 2.545 305 Y HA 0.563 5.112 4.550 -0.000 0.000 0.348 305 Y C 0.613 176.575 175.900 0.103 0.000 1.002 305 Y CA -1.920 56.280 58.100 0.167 0.000 1.039 305 Y CB 0.743 39.299 38.460 0.160 0.000 1.271 305 Y HN -0.192 nan 8.280 nan 0.000 0.467 306 G N 1.407 110.354 108.800 0.244 0.000 2.483 306 G HA2 0.292 4.252 3.960 -0.000 0.000 0.248 306 G HA3 0.292 4.252 3.960 -0.000 0.000 0.248 306 G C -2.019 172.946 174.900 0.108 0.000 1.248 306 G CA -1.172 44.023 45.100 0.159 0.000 0.838 306 G HN 0.449 nan 8.290 nan 0.000 0.566 307 P HA -0.140 nan 4.420 nan 0.000 0.217 307 P C 0.328 177.334 177.300 -0.490 0.000 1.148 307 P CA 1.421 64.349 63.100 -0.288 0.000 0.834 307 P CB 0.042 31.460 31.700 -0.471 0.000 0.783 308 Y N -2.402 117.958 120.300 0.099 0.000 2.481 308 Y HA 0.124 4.674 4.550 -0.000 0.000 0.247 308 Y C 1.644 177.586 175.900 0.070 0.000 1.151 308 Y CA -0.324 57.824 58.100 0.080 0.000 1.238 308 Y CB -0.514 37.984 38.460 0.063 0.000 1.179 308 Y HN -0.153 nan 8.280 nan 0.000 0.524 309 D N 1.285 121.791 120.400 0.177 0.000 2.126 309 D HA -0.267 4.373 4.640 -0.000 0.000 0.190 309 D C 2.279 178.636 176.300 0.095 0.000 1.001 309 D CA 1.920 56.011 54.000 0.151 0.000 0.841 309 D CB -0.327 40.598 40.800 0.208 0.000 0.949 309 D HN 0.352 nan 8.370 nan 0.000 0.446 310 A N 0.679 123.534 122.820 0.060 0.000 1.883 310 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 310 A C 2.113 179.701 177.584 0.007 0.000 1.186 310 A CA 1.817 53.854 52.037 0.001 0.000 0.624 310 A CB -0.729 18.257 19.000 -0.024 0.000 0.822 310 A HN 0.289 nan 8.150 nan 0.000 0.444 311 Q N -0.514 119.319 119.800 0.055 0.000 2.170 311 Q HA -0.207 4.133 4.340 -0.000 0.000 0.203 311 Q C 1.901 177.928 176.000 0.045 0.000 0.976 311 Q CA 1.626 57.466 55.803 0.062 0.000 0.858 311 Q CB -0.225 28.596 28.738 0.139 0.000 0.907 311 Q HN 0.800 nan 8.270 nan 0.000 0.433 312 E N 0.745 120.977 120.200 0.054 0.000 2.076 312 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 312 E C 2.070 178.635 176.600 -0.057 0.000 0.979 312 E CA 0.391 56.795 56.400 0.007 0.000 0.807 312 E CB 0.000 29.718 29.700 0.029 0.000 0.761 312 E HN 0.250 nan 8.360 nan 0.000 0.454 313 L N 1.003 122.196 121.223 -0.050 0.000 2.017 313 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 313 L C 2.388 179.189 176.870 -0.115 0.000 1.073 313 L CA 1.205 55.972 54.840 -0.121 0.000 0.745 313 L CB -0.176 41.867 42.059 -0.026 0.000 0.894 313 L HN 0.087 nan 8.230 nan 0.000 0.432 314 V N -0.228 119.682 119.914 -0.007 0.000 2.343 314 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 314 V C 2.407 178.509 176.094 0.013 0.000 1.051 314 V CA 1.925 64.258 62.300 0.054 0.000 1.036 314 V CB -0.552 31.303 31.823 0.054 0.000 0.654 314 V HN 0.455 nan 8.190 nan 0.000 0.451 315 E N 1.320 121.501 120.200 -0.031 0.000 2.118 315 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 315 E C 2.272 178.790 176.600 -0.136 0.000 0.992 315 E CA 1.611 57.973 56.400 -0.063 0.000 0.804 315 E CB -0.330 29.340 29.700 -0.049 0.000 0.741 315 E HN 0.751 nan 8.360 nan 0.000 0.458 316 S N -1.204 114.382 115.700 -0.190 0.000 2.453 316 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 316 S C 1.289 175.747 174.600 -0.236 0.000 1.005 316 S CA 0.737 58.772 58.200 -0.275 0.000 0.949 316 S CB -0.343 62.625 63.200 -0.387 0.000 0.774 316 S HN 0.331 nan 8.310 nan 0.000 0.510 317 Y N 2.260 122.528 120.300 -0.054 0.000 2.467 317 Y HA 0.347 4.897 4.550 -0.000 0.000 0.250 317 Y C 2.042 177.933 175.900 -0.016 0.000 1.155 317 Y CA -0.649 57.437 58.100 -0.024 0.000 1.249 317 Y CB -0.152 38.304 38.460 -0.007 0.000 1.146 317 Y HN 0.395 nan 8.280 nan 0.000 0.524 318 K N -0.132 120.315 120.400 0.078 0.000 2.074 318 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 318 K C 1.142 177.834 176.600 0.152 0.000 1.048 318 K CA 2.358 58.688 56.287 0.072 0.000 0.926 318 K CB -0.769 31.741 32.500 0.017 0.000 0.713 318 K HN 0.449 nan 8.250 nan 0.000 0.444 319 H N 0.188 119.304 119.070 0.077 0.000 2.387 319 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 319 H C 2.145 177.518 175.328 0.075 0.000 1.090 319 H CA 1.280 57.366 56.048 0.063 0.000 1.332 319 H CB 0.147 29.942 29.762 0.056 0.000 1.386 319 H HN 0.478 nan 8.280 nan 0.000 0.516 320 E N 0.946 121.282 120.200 0.228 0.000 2.107 320 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 320 E C 1.861 178.553 176.600 0.153 0.000 0.982 320 E CA 0.376 56.877 56.400 0.169 0.000 0.809 320 E CB 0.161 29.961 29.700 0.166 0.000 0.756 320 E HN 0.436 nan 8.360 nan 0.000 0.459 321 L N 0.249 121.562 121.223 0.149 0.000 2.395 321 L HA -0.032 4.308 4.340 -0.000 0.000 0.218 321 L C 0.567 177.505 176.870 0.114 0.000 1.130 321 L CA 0.535 55.450 54.840 0.125 0.000 0.826 321 L CB -0.097 41.997 42.059 0.058 0.000 0.941 321 L HN 0.177 nan 8.230 nan 0.000 0.451 322 D N 0.679 121.147 120.400 0.113 0.000 2.716 322 D HA -0.198 4.442 4.640 -0.000 0.000 0.239 322 D C -0.366 175.968 176.300 0.056 0.000 1.125 322 D CA 0.706 54.759 54.000 0.088 0.000 0.681 322 D CB -0.892 39.958 40.800 0.083 0.000 1.070 322 D HN 0.493 nan 8.370 nan 0.000 0.432 323 I N -3.648 116.947 120.570 0.042 0.000 3.191 323 I HA 0.810 4.979 4.170 -0.000 0.000 0.313 323 I C -0.406 175.685 176.117 -0.043 0.000 1.193 323 I CA -1.320 59.973 61.300 -0.010 0.000 0.968 323 I CB 2.004 40.014 38.000 0.017 0.000 1.262 323 I HN -0.112 nan 8.210 nan 0.000 0.456 324 E N 1.895 121.992 120.200 -0.172 0.000 2.191 324 E HA 0.622 4.972 4.350 -0.000 0.000 0.274 324 E C -1.624 174.975 176.600 -0.002 0.000 0.948 324 E CA -0.713 55.591 56.400 -0.160 0.000 0.802 324 E CB 2.080 31.493 29.700 -0.478 0.000 1.137 324 E HN 0.530 nan 8.360 nan 0.000 0.397 325 V N 4.224 124.170 119.914 0.053 0.000 2.427 325 V HA 0.380 4.499 4.120 -0.000 0.000 0.286 325 V C -0.546 175.602 176.094 0.090 0.000 1.034 325 V CA -0.844 61.503 62.300 0.078 0.000 0.893 325 V CB 1.678 33.535 31.823 0.056 0.000 0.982 325 V HN 0.549 nan 8.190 nan 0.000 0.452 326 V N 7.532 127.486 119.914 0.068 0.000 2.293 326 V HA 0.337 4.457 4.120 -0.000 0.000 0.275 326 V C -2.449 173.683 176.094 0.065 0.000 1.021 326 V CA -1.833 60.521 62.300 0.091 0.000 0.815 326 V CB 1.398 33.276 31.823 0.090 0.000 1.025 326 V HN 0.748 nan 8.190 nan 0.000 0.448 327 P HA 0.299 nan 4.420 nan 0.000 0.280 327 P C -0.819 176.710 177.300 0.381 0.000 1.244 327 P CA -0.250 62.959 63.100 0.181 0.000 0.784 327 P CB 0.402 32.195 31.700 0.155 0.000 0.913 328 F N 3.908 123.909 119.950 0.085 0.000 2.361 328 F HA 0.333 4.860 4.527 -0.000 0.000 0.364 328 F C 0.991 176.856 175.800 0.109 0.000 1.120 328 F CA -0.769 57.284 58.000 0.088 0.000 1.102 328 F CB 0.530 39.595 39.000 0.107 0.000 1.183 328 F HN 0.054 nan 8.300 nan 0.000 0.476 329 R N 3.268 123.879 120.500 0.185 0.000 2.531 329 R HA 0.278 4.618 4.340 -0.000 0.000 0.273 329 R C 0.251 176.616 176.300 0.108 0.000 1.070 329 R CA -0.877 55.319 56.100 0.160 0.000 1.112 329 R CB 0.824 31.189 30.300 0.108 0.000 1.049 329 R HN 0.713 nan 8.270 nan 0.000 0.508 330 M N 1.672 121.354 119.600 0.138 0.000 2.251 330 M HA 0.029 4.509 4.480 -0.000 0.000 0.343 330 M C -0.812 175.536 176.300 0.080 0.000 1.245 330 M CA 0.528 55.894 55.300 0.110 0.000 1.061 330 M CB 0.467 33.142 32.600 0.125 0.000 1.723 330 M HN 0.189 nan 8.290 nan 0.000 0.449 331 V N 3.390 123.354 119.914 0.082 0.000 3.001 331 V HA 0.688 4.808 4.120 -0.000 0.000 0.314 331 V C -0.301 175.905 176.094 0.187 0.000 1.099 331 V CA -0.689 61.677 62.300 0.110 0.000 0.989 331 V CB 2.387 34.260 31.823 0.083 0.000 1.040 331 V HN 0.922 nan 8.190 nan 0.000 0.434 332 T N 0.881 115.541 114.554 0.176 0.000 2.896 332 T HA 0.563 4.913 4.350 -0.000 0.000 0.297 332 T C -1.894 172.787 174.700 -0.031 0.000 1.108 332 T CA -0.331 61.841 62.100 0.121 0.000 1.004 332 T CB 1.360 70.244 68.868 0.027 0.000 1.159 332 T HN 0.548 nan 8.240 nan 0.000 0.499 333 Y N 3.608 123.660 120.300 -0.414 0.000 2.313 333 Y HA 0.621 5.171 4.550 -0.000 0.000 0.332 333 Y C -0.795 174.753 175.900 -0.585 0.000 1.071 333 Y CA -1.217 56.381 58.100 -0.836 0.000 1.169 333 Y CB 0.621 38.353 38.460 -1.214 0.000 1.192 333 Y HN 0.492 nan 8.280 nan 0.000 0.487 334 L N 9.972 130.548 121.223 -1.080 0.000 2.272 334 L HA 0.294 4.634 4.340 -0.000 0.000 0.284 334 L C -1.875 174.296 176.870 -1.166 0.000 1.045 334 L CA -1.819 52.516 54.840 -0.841 0.000 0.842 334 L CB 1.204 42.969 42.059 -0.490 0.000 1.224 334 L HN 0.557 nan 8.230 nan 0.000 0.430 335 P HA -0.186 nan 4.420 nan 0.000 0.214 335 P C 0.669 177.709 177.300 -0.433 0.000 1.163 335 P CA 1.255 63.920 63.100 -0.725 0.000 0.889 335 P CB 0.226 31.673 31.700 -0.421 0.000 0.790 336 D N -0.930 119.272 120.400 -0.331 0.000 2.392 336 D HA -0.096 4.544 4.640 -0.000 0.000 0.228 336 D C 1.129 177.308 176.300 -0.202 0.000 1.003 336 D CA 0.878 54.749 54.000 -0.214 0.000 0.917 336 D CB -0.163 40.536 40.800 -0.169 0.000 0.890 336 D HN 0.427 nan 8.370 nan 0.000 0.532 337 E N -0.343 119.691 120.200 -0.276 0.000 2.633 337 E HA -0.022 4.327 4.350 -0.000 0.000 0.222 337 E C -0.554 175.923 176.600 -0.204 0.000 0.899 337 E CA -0.142 56.132 56.400 -0.211 0.000 1.292 337 E CB 0.977 30.553 29.700 -0.205 0.000 1.257 337 E HN -0.069 nan 8.360 nan 0.000 0.626 338 D N 1.954 122.160 120.400 -0.325 0.000 2.737 338 D HA -0.204 4.436 4.640 -0.000 0.000 0.238 338 D C -0.654 175.639 176.300 -0.012 0.000 1.157 338 D CA 1.262 55.183 54.000 -0.132 0.000 0.694 338 D CB -0.698 40.135 40.800 0.055 0.000 1.021 338 D HN 0.344 nan 8.370 nan 0.000 0.420 339 R N -0.238 120.136 120.500 -0.210 0.000 2.663 339 R HA 0.526 4.865 4.340 -0.000 0.000 0.267 339 R C -1.399 174.840 176.300 -0.100 0.000 1.038 339 R CA -1.045 55.046 56.100 -0.016 0.000 0.886 339 R CB 0.532 30.807 30.300 -0.042 0.000 1.249 339 R HN -0.017 nan 8.270 nan 0.000 0.463 340 Y N 0.552 120.889 120.300 0.061 0.000 2.310 340 Y HA 0.728 5.277 4.550 -0.000 0.000 0.326 340 Y C 0.275 176.153 175.900 -0.037 0.000 1.151 340 Y CA 0.236 58.360 58.100 0.039 0.000 1.195 340 Y CB 2.301 40.780 38.460 0.031 0.000 1.210 340 Y HN 0.880 nan 8.280 nan 0.000 0.483 341 A N 4.004 126.872 122.820 0.080 0.000 2.515 341 A HA 0.688 5.008 4.320 -0.000 0.000 0.298 341 A C -3.084 174.514 177.584 0.024 0.000 1.059 341 A CA -2.161 49.887 52.037 0.018 0.000 0.698 341 A CB 1.364 20.341 19.000 -0.038 0.000 1.289 341 A HN 0.459 nan 8.150 nan 0.000 0.404 342 P HA 0.056 nan 4.420 nan 0.000 0.263 342 P C 1.093 178.404 177.300 0.018 0.000 1.195 342 P CA -0.172 62.938 63.100 0.016 0.000 0.762 342 P CB 0.271 31.976 31.700 0.008 0.000 0.799 343 I N 2.590 123.181 120.570 0.035 0.000 2.300 343 I HA -0.288 3.882 4.170 -0.000 0.000 0.252 343 I C 1.470 177.598 176.117 0.018 0.000 1.119 343 I CA 1.756 63.073 61.300 0.030 0.000 1.384 343 I CB -1.001 37.030 38.000 0.052 0.000 1.062 343 I HN 0.474 nan 8.210 nan 0.000 0.426 344 D N 1.003 121.416 120.400 0.022 0.000 2.126 344 D HA -0.243 4.397 4.640 -0.000 0.000 0.190 344 D C 1.722 178.022 176.300 -0.001 0.000 1.001 344 D CA 1.559 55.566 54.000 0.012 0.000 0.841 344 D CB -0.407 40.400 40.800 0.010 0.000 0.949 344 D HN 0.637 nan 8.370 nan 0.000 0.446 345 Q N 0.309 120.106 119.800 -0.006 0.000 2.244 345 Q HA 0.209 4.548 4.340 -0.000 0.000 0.239 345 Q C -0.269 175.715 176.000 -0.026 0.000 0.890 345 Q CA 0.049 55.842 55.803 -0.016 0.000 0.964 345 Q CB 0.344 29.071 28.738 -0.018 0.000 1.076 345 Q HN 0.167 nan 8.270 nan 0.000 0.447 346 I N 1.569 122.124 120.570 -0.025 0.000 2.447 346 I HA 0.221 4.391 4.170 -0.000 0.000 0.287 346 I C -0.937 175.161 176.117 -0.033 0.000 1.023 346 I CA -0.957 60.320 61.300 -0.038 0.000 1.083 346 I CB 1.671 39.643 38.000 -0.046 0.000 1.245 346 I HN 0.100 nan 8.210 nan 0.000 0.434 347 D N 3.938 124.315 120.400 -0.038 0.000 2.468 347 D HA 0.075 4.714 4.640 -0.000 0.000 0.218 347 D C 1.340 177.616 176.300 -0.040 0.000 1.155 347 D CA 0.068 54.048 54.000 -0.033 0.000 0.924 347 D CB 0.856 41.637 40.800 -0.032 0.000 1.029 347 D HN 0.578 nan 8.370 nan 0.000 0.515 348 T N 1.649 116.182 114.554 -0.036 0.000 3.052 348 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 348 T C 1.463 176.140 174.700 -0.039 0.000 1.147 348 T CA 1.693 63.769 62.100 -0.041 0.000 1.089 348 T CB -0.043 68.807 68.868 -0.030 0.000 0.875 348 T HN 0.382 nan 8.240 nan 0.000 0.541 349 T N 0.181 114.715 114.554 -0.033 0.000 3.043 349 T HA 0.148 4.497 4.350 -0.000 0.000 0.263 349 T C 1.477 176.156 174.700 -0.035 0.000 1.094 349 T CA 0.646 62.728 62.100 -0.030 0.000 1.127 349 T CB 0.058 68.912 68.868 -0.024 0.000 0.905 349 T HN 0.322 nan 8.240 nan 0.000 0.490 350 K N 0.958 121.332 120.400 -0.042 0.000 2.619 350 K HA 0.219 4.538 4.320 -0.000 0.000 0.201 350 K C -1.020 175.544 176.600 -0.060 0.000 1.090 350 K CA -0.034 56.225 56.287 -0.046 0.000 1.063 350 K CB 0.899 33.374 32.500 -0.040 0.000 0.810 350 K HN 0.026 nan 8.250 nan 0.000 0.506 351 T N 0.442 114.955 114.554 -0.070 0.000 3.097 351 T HA 0.327 4.677 4.350 -0.000 0.000 0.332 351 T C -1.128 173.507 174.700 -0.108 0.000 1.269 351 T CA -0.761 61.282 62.100 -0.094 0.000 1.076 351 T CB 1.673 70.481 68.868 -0.101 0.000 1.209 351 T HN 0.118 nan 8.240 nan 0.000 0.474 352 R N 1.735 122.154 120.500 -0.135 0.000 2.438 352 R HA 0.602 4.942 4.340 -0.000 0.000 0.287 352 R C 0.181 176.361 176.300 -0.200 0.000 1.077 352 R CA -0.475 55.534 56.100 -0.152 0.000 1.034 352 R CB 0.507 30.708 30.300 -0.166 0.000 0.993 352 R HN 0.730 nan 8.270 nan 0.000 0.459 353 T N 0.223 114.673 114.554 -0.172 0.000 2.921 353 T HA 0.529 4.878 4.350 -0.000 0.000 0.297 353 T C -0.473 174.130 174.700 -0.161 0.000 1.013 353 T CA -0.928 61.058 62.100 -0.190 0.000 0.990 353 T CB 1.090 69.888 68.868 -0.118 0.000 1.023 353 T HN 0.274 nan 8.240 nan 0.000 0.447 354 L N 3.069 124.160 121.223 -0.220 0.000 2.365 354 L HA 0.689 5.028 4.340 -0.000 0.000 0.273 354 L C -0.567 176.315 176.870 0.020 0.000 1.000 354 L CA -0.958 53.791 54.840 -0.150 0.000 0.819 354 L CB 1.845 43.645 42.059 -0.432 0.000 1.284 354 L HN 0.678 nan 8.230 nan 0.000 0.418 355 N N 3.547 122.371 118.700 0.206 0.000 2.308 355 N HA 0.552 5.292 4.740 -0.000 0.000 0.283 355 N C -1.341 174.292 175.510 0.204 0.000 1.105 355 N CA -0.409 52.814 53.050 0.289 0.000 0.840 355 N CB 3.086 41.679 38.487 0.176 0.000 1.633 355 N HN 0.433 nan 8.380 nan 0.000 0.476 356 I N 1.568 122.202 120.570 0.107 0.000 2.382 356 I HA 0.163 4.333 4.170 -0.000 0.000 0.285 356 I C 0.721 176.755 176.117 -0.138 0.000 1.007 356 I CA -0.515 60.643 61.300 -0.238 0.000 1.142 356 I CB 1.298 38.706 38.000 -0.987 0.000 1.289 356 I HN 0.485 nan 8.210 nan 0.000 0.453 357 S N 3.783 119.444 115.700 -0.065 0.000 2.593 357 S HA 0.202 4.672 4.470 -0.000 0.000 0.269 357 S C 1.411 176.004 174.600 -0.011 0.000 1.334 357 S CA -0.100 58.104 58.200 0.006 0.000 1.015 357 S CB 1.506 64.715 63.200 0.014 0.000 0.912 357 S HN 0.794 nan 8.310 nan 0.000 0.541 358 G N 0.662 109.497 108.800 0.059 0.000 2.448 358 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.219 358 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.219 358 G C 1.159 176.075 174.900 0.027 0.000 1.127 358 G CA 1.123 46.267 45.100 0.074 0.000 0.766 358 G HN 0.759 nan 8.290 nan 0.000 0.552 359 T N 0.532 115.094 114.554 0.013 0.000 2.777 359 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 359 T C 2.183 176.863 174.700 -0.033 0.000 1.040 359 T CA 1.455 63.555 62.100 -0.001 0.000 1.141 359 T CB -0.082 68.789 68.868 0.005 0.000 0.868 359 T HN 0.351 nan 8.240 nan 0.000 0.444 360 E N 1.104 121.267 120.200 -0.062 0.000 2.106 360 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 360 E C 1.952 178.468 176.600 -0.140 0.000 0.984 360 E CA 0.595 56.933 56.400 -0.102 0.000 0.806 360 E CB -0.534 29.088 29.700 -0.130 0.000 0.750 360 E HN 0.335 nan 8.360 nan 0.000 0.458 361 L N 0.756 121.883 121.223 -0.160 0.000 2.056 361 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 361 L C 2.425 179.253 176.870 -0.071 0.000 1.078 361 L CA 1.939 56.683 54.840 -0.161 0.000 0.749 361 L CB -0.514 41.476 42.059 -0.115 0.000 0.901 361 L HN 0.070 nan 8.230 nan 0.000 0.433 362 R N -0.685 119.795 120.500 -0.034 0.000 2.152 362 R HA -0.182 4.158 4.340 -0.000 0.000 0.232 362 R C 2.536 178.814 176.300 -0.036 0.000 1.117 362 R CA 1.444 57.535 56.100 -0.015 0.000 0.981 362 R CB -0.224 30.079 30.300 0.004 0.000 0.870 362 R HN 0.412 nan 8.270 nan 0.000 0.451 363 R N 0.262 120.730 120.500 -0.052 0.000 2.075 363 R HA -0.023 4.316 4.340 -0.000 0.000 0.226 363 R C 1.845 178.099 176.300 -0.076 0.000 1.114 363 R CA 0.986 57.050 56.100 -0.061 0.000 0.972 363 R CB 0.016 30.280 30.300 -0.061 0.000 0.869 363 R HN 0.177 nan 8.270 nan 0.000 0.437 364 R N 0.215 120.661 120.500 -0.090 0.000 2.235 364 R HA -0.013 4.327 4.340 -0.000 0.000 0.213 364 R C 1.922 178.175 176.300 -0.078 0.000 1.059 364 R CA 0.694 56.737 56.100 -0.096 0.000 0.997 364 R CB 0.035 30.257 30.300 -0.130 0.000 0.884 364 R HN 0.310 nan 8.270 nan 0.000 0.462 365 L N -0.682 120.503 121.223 -0.064 0.000 2.463 365 L HA 0.091 4.431 4.340 -0.000 0.000 0.219 365 L C 2.545 179.380 176.870 -0.058 0.000 1.088 365 L CA 0.342 55.153 54.840 -0.049 0.000 0.849 365 L CB -0.115 41.928 42.059 -0.026 0.000 1.012 365 L HN 0.064 nan 8.230 nan 0.000 0.468 366 R N -0.067 120.392 120.500 -0.068 0.000 2.066 366 R HA -0.052 4.288 4.340 -0.000 0.000 0.224 366 R C 2.105 178.335 176.300 -0.118 0.000 1.122 366 R CA 0.975 57.020 56.100 -0.091 0.000 0.974 366 R CB 0.099 30.347 30.300 -0.086 0.000 0.871 366 R HN 0.082 nan 8.270 nan 0.000 0.435 367 V N -0.170 119.681 119.914 -0.104 0.000 2.591 367 V HA 0.056 4.176 4.120 -0.000 0.000 0.249 367 V C 1.243 177.281 176.094 -0.093 0.000 1.053 367 V CA 1.534 63.770 62.300 -0.106 0.000 1.068 367 V CB 0.160 31.928 31.823 -0.091 0.000 0.689 367 V HN 0.780 nan 8.190 nan 0.000 0.462 368 G N -0.392 108.360 108.800 -0.080 0.000 2.130 368 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 368 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 368 G C 0.407 175.270 174.900 -0.062 0.000 0.999 368 G CA -0.071 44.989 45.100 -0.067 0.000 0.686 368 G HN 0.921 nan 8.290 nan 0.000 0.515 369 G N -0.717 108.042 108.800 -0.069 0.000 2.562 369 G HA2 0.546 4.506 3.960 -0.000 0.000 0.275 369 G HA3 0.546 4.506 3.960 -0.000 0.000 0.275 369 G C 0.161 175.017 174.900 -0.073 0.000 1.196 369 G CA -0.429 44.631 45.100 -0.068 0.000 0.908 369 G HN 0.232 nan 8.290 nan 0.000 0.524 370 E N -0.789 119.368 120.200 -0.071 0.000 2.408 370 E HA 0.182 4.532 4.350 -0.000 0.000 0.259 370 E C -0.198 176.329 176.600 -0.121 0.000 1.110 370 E CA 0.300 56.652 56.400 -0.080 0.000 0.929 370 E CB 1.581 31.242 29.700 -0.065 0.000 0.971 370 E HN 0.241 nan 8.360 nan 0.000 0.438 371 I N 3.045 123.533 120.570 -0.138 0.000 2.439 371 I HA 0.182 4.352 4.170 -0.000 0.000 0.283 371 I C -2.226 173.733 176.117 -0.263 0.000 1.023 371 I CA -2.176 58.999 61.300 -0.209 0.000 1.100 371 I CB 1.717 39.632 38.000 -0.142 0.000 1.238 371 I HN 0.107 nan 8.210 nan 0.000 0.445 372 P HA -0.086 nan 4.420 nan 0.000 0.261 372 P C 0.598 177.550 177.300 -0.579 0.000 1.165 372 P CA 0.326 63.072 63.100 -0.590 0.000 0.759 372 P CB 0.612 31.596 31.700 -1.193 0.000 0.772 373 E N 2.706 122.713 120.200 -0.321 0.000 2.338 373 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 373 E C 1.111 177.555 176.600 -0.261 0.000 1.007 373 E CA 0.589 56.856 56.400 -0.222 0.000 0.849 373 E CB -0.043 29.608 29.700 -0.082 0.000 0.774 373 E HN 0.667 nan 8.360 nan 0.000 0.506 374 W N -0.610 120.556 121.300 -0.224 0.000 2.584 374 W HA -0.049 4.611 4.660 -0.000 0.000 0.264 374 W C 1.425 177.732 176.519 -0.354 0.000 1.264 374 W CA -0.205 56.888 57.345 -0.421 0.000 1.306 374 W CB -0.762 28.195 29.460 -0.838 0.000 1.110 374 W HN 0.020 nan 8.180 nan 0.000 0.606 375 F N 2.404 121.853 119.950 -0.835 0.000 2.179 375 F HA 0.204 4.731 4.527 -0.000 0.000 0.292 375 F C 0.831 176.416 175.800 -0.358 0.000 1.089 375 F CA 1.559 59.187 58.000 -0.621 0.000 1.295 375 F CB -0.194 38.164 39.000 -1.070 0.000 1.041 375 F HN -0.200 nan 8.300 nan 0.000 0.487 376 S N -1.478 113.931 115.700 -0.484 0.000 2.541 376 S HA 0.399 4.869 4.470 -0.000 0.000 0.271 376 S C -1.469 172.988 174.600 -0.239 0.000 1.133 376 S CA -0.695 57.285 58.200 -0.367 0.000 0.876 376 S CB 0.261 63.343 63.200 -0.196 0.000 1.105 376 S HN 0.083 nan 8.310 nan 0.000 0.470 377 Y N 3.060 123.326 120.300 -0.056 0.000 2.597 377 Y HA 0.171 4.721 4.550 -0.000 0.000 0.336 377 Y C -1.366 174.519 175.900 -0.024 0.000 1.216 377 Y CA -0.878 57.200 58.100 -0.036 0.000 1.463 377 Y CB -0.101 38.342 38.460 -0.029 0.000 1.303 377 Y HN 0.556 nan 8.280 nan 0.000 0.576 378 P HA -0.225 nan 4.420 nan 0.000 0.215 378 P C 0.865 178.202 177.300 0.061 0.000 1.163 378 P CA 2.089 65.225 63.100 0.061 0.000 0.894 378 P CB 0.285 32.018 31.700 0.054 0.000 0.791 379 E N -0.784 119.461 120.200 0.074 0.000 2.118 379 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 379 E C 1.982 178.604 176.600 0.035 0.000 0.992 379 E CA 0.954 57.379 56.400 0.041 0.000 0.804 379 E CB -1.427 28.287 29.700 0.023 0.000 0.741 379 E HN 0.077 nan 8.360 nan 0.000 0.458 380 V N 0.431 120.384 119.914 0.066 0.000 2.358 380 V HA -0.192 3.927 4.120 -0.000 0.000 0.246 380 V C 2.185 178.311 176.094 0.052 0.000 1.047 380 V CA 1.216 63.546 62.300 0.051 0.000 1.035 380 V CB -0.302 31.579 31.823 0.097 0.000 0.658 380 V HN 0.155 nan 8.190 nan 0.000 0.452 381 V N 0.167 120.120 119.914 0.064 0.000 2.407 381 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 381 V C 2.413 178.520 176.094 0.023 0.000 1.055 381 V CA 2.314 64.643 62.300 0.048 0.000 1.049 381 V CB -0.654 31.184 31.823 0.026 0.000 0.662 381 V HN 0.586 nan 8.190 nan 0.000 0.455 382 K N 0.218 120.628 120.400 0.016 0.000 2.057 382 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 382 K C 2.108 178.708 176.600 -0.000 0.000 1.049 382 K CA 1.731 58.021 56.287 0.005 0.000 0.931 382 K CB -0.245 32.258 32.500 0.006 0.000 0.714 382 K HN 0.407 nan 8.250 nan 0.000 0.440 383 I N 1.266 121.834 120.570 -0.002 0.000 2.163 383 I HA -0.315 3.854 4.170 -0.000 0.000 0.243 383 I C 2.187 178.295 176.117 -0.015 0.000 1.085 383 I CA 1.218 62.509 61.300 -0.016 0.000 1.347 383 I CB -0.214 37.766 38.000 -0.033 0.000 1.044 383 I HN 0.221 nan 8.210 nan 0.000 0.408 384 L N -0.127 121.095 121.223 -0.002 0.000 2.093 384 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 384 L C 2.738 179.609 176.870 0.002 0.000 1.085 384 L CA 0.971 55.815 54.840 0.007 0.000 0.755 384 L CB -0.661 41.424 42.059 0.043 0.000 0.904 384 L HN 0.206 nan 8.230 nan 0.000 0.435 385 R N 0.455 120.955 120.500 -0.000 0.000 2.120 385 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 385 R C 2.023 178.316 176.300 -0.012 0.000 1.123 385 R CA 1.194 57.289 56.100 -0.008 0.000 0.975 385 R CB -0.318 29.976 30.300 -0.010 0.000 0.866 385 R HN 0.555 nan 8.270 nan 0.000 0.446 386 E N -0.036 120.156 120.200 -0.012 0.000 2.072 386 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 386 E C 1.976 178.565 176.600 -0.017 0.000 0.982 386 E CA 1.231 57.622 56.400 -0.015 0.000 0.803 386 E CB 0.062 29.752 29.700 -0.017 0.000 0.755 386 E HN 0.193 nan 8.360 nan 0.000 0.453 387 S N 0.649 116.338 115.700 -0.017 0.000 2.395 387 S HA -0.085 4.385 4.470 -0.000 0.000 0.225 387 S C 1.077 175.671 174.600 -0.011 0.000 1.027 387 S CA 0.458 58.647 58.200 -0.017 0.000 0.965 387 S CB -0.092 63.096 63.200 -0.019 0.000 0.812 387 S HN 0.219 nan 8.310 nan 0.000 0.482 388 N N 1.809 120.504 118.700 -0.008 0.000 3.012 388 N HA 0.265 5.005 4.740 -0.000 0.000 0.270 388 N C -3.196 172.306 175.510 -0.012 0.000 1.469 388 N CA -1.837 51.210 53.050 -0.005 0.000 0.928 388 N CB 0.819 39.306 38.487 0.000 0.000 1.219 388 N HN 0.045 nan 8.380 nan 0.000 0.492 389 P HA 0.127 nan 4.420 nan 0.000 0.267 389 P C -2.570 174.709 177.300 -0.035 0.000 1.200 389 P CA -0.645 62.444 63.100 -0.019 0.000 0.772 389 P CB 0.334 32.029 31.700 -0.009 0.000 0.855 390 P HA 0.151 nan 4.420 nan 0.000 0.272 390 P C 1.046 178.275 177.300 -0.119 0.000 1.240 390 P CA -0.266 62.784 63.100 -0.084 0.000 0.791 390 P CB 0.483 32.136 31.700 -0.078 0.000 0.978 391 R N 1.743 122.115 120.500 -0.214 0.000 2.154 391 R HA -0.155 4.185 4.340 -0.000 0.000 0.248 391 R C -0.865 175.287 176.300 -0.247 0.000 1.155 391 R CA 2.118 57.983 56.100 -0.391 0.000 0.979 391 R CB -2.486 27.430 30.300 -0.640 0.000 0.869 391 R HN 0.514 nan 8.270 nan 0.000 0.452 392 P HA -0.092 nan 4.420 nan 0.000 0.220 392 P C 0.628 177.951 177.300 0.038 0.000 1.148 392 P CA 1.322 64.399 63.100 -0.039 0.000 0.803 392 P CB 0.099 31.770 31.700 -0.048 0.000 0.782 393 K N -1.102 119.307 120.400 0.016 0.000 2.399 393 K HA 0.178 4.498 4.320 -0.000 0.000 0.204 393 K C 0.495 177.132 176.600 0.061 0.000 1.023 393 K CA 0.115 56.425 56.287 0.038 0.000 1.127 393 K CB 0.452 32.959 32.500 0.011 0.000 0.856 393 K HN 0.376 nan 8.250 nan 0.000 0.514 394 Q N 0.231 120.096 119.800 0.109 0.000 2.230 394 Q HA 0.363 4.703 4.340 -0.000 0.000 0.248 394 Q C 0.347 176.532 176.000 0.310 0.000 0.915 394 Q CA -0.487 55.427 55.803 0.184 0.000 0.900 394 Q CB 1.515 30.360 28.738 0.178 0.000 1.229 394 Q HN 0.184 nan 8.270 nan 0.000 0.439 395 G N 0.989 109.899 108.800 0.184 0.000 2.562 395 G HA2 0.562 4.522 3.960 -0.000 0.000 0.275 395 G HA3 0.562 4.522 3.960 -0.000 0.000 0.275 395 G C -0.841 174.156 174.900 0.162 0.000 1.196 395 G CA -0.194 44.919 45.100 0.023 0.000 0.908 395 G HN 0.554 nan 8.290 nan 0.000 0.524 396 F N -2.326 117.616 119.950 -0.013 0.000 2.877 396 F HA 0.806 5.333 4.527 -0.000 0.000 0.319 396 F C -0.684 175.114 175.800 -0.003 0.000 1.174 396 F CA -1.581 56.380 58.000 -0.064 0.000 0.903 396 F CB 1.565 40.299 39.000 -0.442 0.000 1.357 396 F HN 0.614 nan 8.300 nan 0.000 0.472 397 S N 0.471 116.423 115.700 0.420 0.000 2.572 397 S HA 0.758 5.228 4.470 -0.000 0.000 0.274 397 S C -1.672 173.176 174.600 0.414 0.000 1.150 397 S CA -0.493 57.907 58.200 0.333 0.000 0.944 397 S CB 1.128 64.448 63.200 0.199 0.000 1.071 397 S HN 0.668 nan 8.310 nan 0.000 0.479 398 I N 4.355 125.169 120.570 0.406 0.000 2.354 398 I HA 0.401 4.571 4.170 -0.000 0.000 0.286 398 I C -0.690 175.565 176.117 0.230 0.000 1.007 398 I CA -0.658 60.835 61.300 0.322 0.000 1.167 398 I CB 1.729 39.950 38.000 0.369 0.000 1.320 398 I HN 0.311 nan 8.210 nan 0.000 0.458 399 V N 7.271 127.276 119.914 0.153 0.000 2.407 399 V HA 0.312 4.431 4.120 -0.000 0.000 0.278 399 V C 0.314 176.427 176.094 0.031 0.000 1.037 399 V CA -0.713 61.638 62.300 0.085 0.000 0.900 399 V CB 1.422 33.228 31.823 -0.029 0.000 0.983 399 V HN 0.468 nan 8.190 nan 0.000 0.459 400 L N 5.054 126.302 121.223 0.041 0.000 2.385 400 L HA 0.355 4.695 4.340 -0.000 0.000 0.281 400 L C 1.325 178.182 176.870 -0.021 0.000 1.106 400 L CA 0.090 54.940 54.840 0.017 0.000 0.856 400 L CB 0.061 42.140 42.059 0.032 0.000 1.186 400 L HN 0.840 nan 8.230 nan 0.000 0.453 401 G N 2.584 111.363 108.800 -0.036 0.000 2.630 401 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.236 401 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.236 401 G C 0.632 175.506 174.900 -0.043 0.000 1.248 401 G CA -0.313 44.753 45.100 -0.055 0.000 0.844 401 G HN 0.865 nan 8.290 nan 0.000 0.588 402 N N -0.239 118.429 118.700 -0.053 0.000 2.381 402 N HA -0.155 4.585 4.740 -0.000 0.000 0.182 402 N C 2.399 177.893 175.510 -0.026 0.000 1.025 402 N CA 1.054 54.081 53.050 -0.039 0.000 0.888 402 N CB 0.060 38.521 38.487 -0.044 0.000 0.965 402 N HN 0.547 nan 8.380 nan 0.000 0.438 403 S N 0.727 116.412 115.700 -0.026 0.000 2.515 403 S HA 0.031 4.501 4.470 -0.000 0.000 0.231 403 S C 0.810 175.402 174.600 -0.013 0.000 0.987 403 S CA 0.030 58.219 58.200 -0.018 0.000 0.936 403 S CB -0.370 62.820 63.200 -0.017 0.000 0.766 403 S HN 0.149 nan 8.310 nan 0.000 0.528 404 L N 2.413 123.629 121.223 -0.013 0.000 2.456 404 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 404 L C 1.569 178.435 176.870 -0.007 0.000 1.189 404 L CA 0.267 55.103 54.840 -0.007 0.000 0.846 404 L CB 0.528 42.584 42.059 -0.005 0.000 1.111 404 L HN 0.400 nan 8.230 nan 0.000 0.475 405 T N -1.886 112.665 114.554 -0.006 0.000 3.003 405 T HA 0.183 4.533 4.350 -0.000 0.000 0.261 405 T C 0.533 175.228 174.700 -0.007 0.000 1.003 405 T CA -0.305 61.791 62.100 -0.008 0.000 0.917 405 T CB 0.145 69.008 68.868 -0.009 0.000 1.084 405 T HN 0.179 nan 8.240 nan 0.000 0.522 406 V N 2.350 122.261 119.914 -0.005 0.000 3.376 406 V HA 0.270 4.390 4.120 -0.000 0.000 0.303 406 V C 1.067 177.157 176.094 -0.006 0.000 1.100 406 V CA -0.564 61.733 62.300 -0.005 0.000 1.126 406 V CB 1.090 32.913 31.823 -0.000 0.000 1.085 406 V HN 0.505 nan 8.190 nan 0.000 0.480 407 S N 1.207 116.902 115.700 -0.008 0.000 2.457 407 S HA 0.101 4.571 4.470 -0.000 0.000 0.294 407 S C 1.343 175.938 174.600 -0.008 0.000 1.201 407 S CA -0.209 57.985 58.200 -0.010 0.000 1.112 407 S CB -0.316 62.877 63.200 -0.013 0.000 1.018 407 S HN 0.644 nan 8.310 nan 0.000 0.511 408 R N 3.211 123.708 120.500 -0.005 0.000 2.105 408 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 408 R C 2.193 178.491 176.300 -0.002 0.000 1.135 408 R CA 1.838 57.938 56.100 -0.000 0.000 0.967 408 R CB -0.171 30.131 30.300 0.003 0.000 0.861 408 R HN 0.772 nan 8.270 nan 0.000 0.442 409 E N 0.321 120.517 120.200 -0.007 0.000 2.072 409 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 409 E C 1.981 178.571 176.600 -0.018 0.000 0.985 409 E CA 0.970 57.364 56.400 -0.010 0.000 0.801 409 E CB 0.239 29.932 29.700 -0.012 0.000 0.750 409 E HN 0.240 nan 8.360 nan 0.000 0.452 410 Q N 0.312 120.099 119.800 -0.020 0.000 2.079 410 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 410 Q C 2.325 178.302 176.000 -0.038 0.000 0.974 410 Q CA 0.711 56.497 55.803 -0.029 0.000 0.840 410 Q CB -0.421 28.302 28.738 -0.025 0.000 0.898 410 Q HN 0.291 nan 8.270 nan 0.000 0.430 411 L N 0.790 121.995 121.223 -0.029 0.000 2.083 411 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 411 L C 2.102 178.939 176.870 -0.055 0.000 1.083 411 L CA 1.724 56.542 54.840 -0.037 0.000 0.752 411 L CB -0.744 41.305 42.059 -0.016 0.000 0.899 411 L HN 0.010 nan 8.230 nan 0.000 0.433 412 S N -0.289 115.391 115.700 -0.034 0.000 2.356 412 S HA -0.123 4.347 4.470 -0.000 0.000 0.223 412 S C 1.983 176.540 174.600 -0.072 0.000 1.032 412 S CA 1.716 59.897 58.200 -0.032 0.000 1.005 412 S CB -0.406 62.797 63.200 0.005 0.000 0.867 412 S HN 0.487 nan 8.310 nan 0.000 0.449 413 I N 1.734 122.266 120.570 -0.064 0.000 2.208 413 I HA -0.246 3.923 4.170 -0.000 0.000 0.245 413 I C 2.707 178.749 176.117 -0.125 0.000 1.097 413 I CA 1.144 62.397 61.300 -0.079 0.000 1.363 413 I CB -0.530 37.436 38.000 -0.058 0.000 1.051 413 I HN 0.270 nan 8.210 nan 0.000 0.413 414 A N 1.000 123.745 122.820 -0.125 0.000 1.877 414 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 414 A C 2.305 179.730 177.584 -0.264 0.000 1.186 414 A CA 1.439 53.383 52.037 -0.156 0.000 0.620 414 A CB -0.839 18.093 19.000 -0.114 0.000 0.822 414 A HN 0.369 nan 8.150 nan 0.000 0.443 415 L N -1.174 119.855 121.223 -0.322 0.000 2.017 415 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 415 L C 2.586 178.954 176.870 -0.837 0.000 1.073 415 L CA 1.261 55.709 54.840 -0.655 0.000 0.745 415 L CB -0.627 41.101 42.059 -0.551 0.000 0.894 415 L HN 0.478 nan 8.230 nan 0.000 0.432 416 L N -0.354 120.611 121.223 -0.430 0.000 1.971 416 L HA -0.241 4.099 4.340 -0.000 0.000 0.215 416 L C 2.632 179.315 176.870 -0.311 0.000 1.072 416 L CA 2.009 56.684 54.840 -0.274 0.000 0.758 416 L CB -0.690 41.297 42.059 -0.121 0.000 0.889 416 L HN 0.085 nan 8.230 nan 0.000 0.433 417 S N -1.130 114.411 115.700 -0.265 0.000 2.383 417 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 417 S C 1.748 176.154 174.600 -0.324 0.000 1.030 417 S CA 1.727 59.783 58.200 -0.239 0.000 1.002 417 S CB -0.559 62.532 63.200 -0.181 0.000 0.829 417 S HN 0.670 nan 8.310 nan 0.000 0.467 418 T N 1.797 116.104 114.554 -0.410 0.000 2.770 418 T HA 0.021 4.371 4.350 -0.000 0.000 0.263 418 T C 1.398 175.672 174.700 -0.710 0.000 1.039 418 T CA 0.936 62.742 62.100 -0.491 0.000 1.142 418 T CB -0.391 68.244 68.868 -0.388 0.000 0.868 418 T HN 0.292 nan 8.240 nan 0.000 0.435 419 F N 1.587 121.149 119.950 -0.646 0.000 2.161 419 F HA 0.062 4.589 4.527 -0.000 0.000 0.300 419 F C 2.086 177.342 175.800 -0.906 0.000 1.089 419 F CA 0.023 57.519 58.000 -0.839 0.000 1.282 419 F CB -1.362 37.074 39.000 -0.940 0.000 1.010 419 F HN 0.115 nan 8.300 nan 0.000 0.485 420 L N -0.561 120.367 121.223 -0.491 0.000 2.353 420 L HA -0.217 4.123 4.340 -0.000 0.000 0.220 420 L C 2.244 178.972 176.870 -0.236 0.000 1.133 420 L CA 0.950 55.625 54.840 -0.275 0.000 0.798 420 L CB -0.687 41.264 42.059 -0.181 0.000 0.922 420 L HN 0.231 nan 8.230 nan 0.000 0.445 421 Q N -0.853 118.686 119.800 -0.436 0.000 2.172 421 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 421 Q C 2.039 177.972 176.000 -0.111 0.000 0.964 421 Q CA 1.220 56.831 55.803 -0.320 0.000 0.855 421 Q CB -0.026 28.444 28.738 -0.447 0.000 0.918 421 Q HN 0.418 nan 8.270 nan 0.000 0.444 422 F N 0.257 120.208 119.950 0.001 0.000 2.234 422 F HA 0.128 4.655 4.527 -0.000 0.000 0.296 422 F C 1.799 177.624 175.800 0.041 0.000 1.089 422 F CA 0.781 58.805 58.000 0.039 0.000 1.343 422 F CB -1.236 37.680 39.000 -0.139 0.000 1.040 422 F HN 0.124 nan 8.300 nan 0.000 0.498 423 G N -0.138 108.800 108.800 0.231 0.000 2.622 423 G HA2 0.108 4.068 3.960 -0.000 0.000 0.272 423 G HA3 0.108 4.068 3.960 -0.000 0.000 0.272 423 G C 1.037 176.066 174.900 0.213 0.000 1.308 423 G CA 0.493 45.725 45.100 0.219 0.000 0.919 423 G HN 1.381 nan 8.290 nan 0.000 0.565 424 G N -3.740 105.152 108.800 0.154 0.000 2.380 424 G HA2 0.436 4.396 3.960 -0.000 0.000 0.197 424 G HA3 0.436 4.396 3.960 -0.000 0.000 0.197 424 G C 1.546 176.508 174.900 0.104 0.000 1.001 424 G CA 0.942 46.111 45.100 0.115 0.000 0.668 424 G HN 2.945 nan 8.290 nan 0.000 0.483 425 G N -0.528 108.347 108.800 0.126 0.000 2.901 425 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.194 425 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.194 425 G C 0.310 175.259 174.900 0.081 0.000 1.020 425 G CA 0.814 45.971 45.100 0.095 0.000 0.787 425 G HN 0.906 nan 8.290 nan 0.000 0.477 426 R N 0.452 120.988 120.500 0.060 0.000 2.522 426 R HA 0.397 4.736 4.340 -0.000 0.000 0.284 426 R C -0.548 175.617 176.300 -0.226 0.000 1.032 426 R CA -0.385 55.643 56.100 -0.119 0.000 1.049 426 R CB 0.061 30.220 30.300 -0.236 0.000 0.956 426 R HN 0.270 nan 8.270 nan 0.000 0.422 427 Y N 4.783 124.885 120.300 -0.331 0.000 2.327 427 Y HA 0.225 4.775 4.550 -0.000 0.000 0.336 427 Y C -1.307 174.353 175.900 -0.399 0.000 1.035 427 Y CA -0.224 57.747 58.100 -0.215 0.000 1.165 427 Y CB 0.582 38.989 38.460 -0.087 0.000 1.181 427 Y HN 0.484 nan 8.280 nan 0.000 0.494 428 Y N 4.305 124.359 120.300 -0.409 0.000 2.457 428 Y HA 0.561 5.111 4.550 -0.000 0.000 0.333 428 Y C -0.466 175.214 175.900 -0.366 0.000 1.119 428 Y CA -0.973 56.979 58.100 -0.247 0.000 1.143 428 Y CB 1.927 40.371 38.460 -0.028 0.000 1.230 428 Y HN 0.521 nan 8.280 nan 0.000 0.469 429 K N 1.664 122.056 120.400 -0.014 0.000 2.561 429 K HA 0.465 4.785 4.320 -0.000 0.000 0.254 429 K C -2.063 174.568 176.600 0.053 0.000 0.942 429 K CA -0.321 55.943 56.287 -0.038 0.000 0.818 429 K CB 1.033 33.465 32.500 -0.114 0.000 1.306 429 K HN 0.694 nan 8.250 nan 0.000 0.435 430 I N 4.786 125.403 120.570 0.079 0.000 2.379 430 I HA 0.224 4.393 4.170 -0.000 0.000 0.290 430 I C -0.585 175.642 176.117 0.183 0.000 1.063 430 I CA -0.399 60.972 61.300 0.119 0.000 1.351 430 I CB 0.284 38.327 38.000 0.071 0.000 1.410 430 I HN 0.516 nan 8.210 nan 0.000 0.505 431 F N 7.178 127.144 119.950 0.027 0.000 2.361 431 F HA 0.355 4.882 4.527 -0.000 0.000 0.364 431 F C 0.106 175.993 175.800 0.146 0.000 1.117 431 F CA -0.669 57.356 58.000 0.040 0.000 1.071 431 F CB 0.715 39.709 39.000 -0.011 0.000 1.188 431 F HN 0.399 nan 8.300 nan 0.000 0.464 432 E N 5.754 125.802 120.200 -0.253 0.000 2.109 432 E HA 0.112 4.462 4.350 -0.000 0.000 0.278 432 E C 0.310 176.636 176.600 -0.458 0.000 0.954 432 E CA -0.277 55.981 56.400 -0.237 0.000 0.779 432 E CB 0.558 30.172 29.700 -0.144 0.000 1.093 432 E HN 0.683 nan 8.360 nan 0.000 0.401 433 H N 2.531 121.345 119.070 -0.428 0.000 2.520 433 H HA 0.116 4.672 4.556 -0.000 0.000 0.279 433 H C 0.125 175.372 175.328 -0.134 0.000 0.990 433 H CA 0.019 55.860 56.048 -0.344 0.000 1.288 433 H CB 0.247 29.907 29.762 -0.170 0.000 1.446 433 H HN 0.473 nan 8.280 nan 0.000 0.538 434 N N 1.781 120.126 118.700 -0.591 0.000 2.735 434 N HA -0.233 4.507 4.740 -0.000 0.000 0.248 434 N C -0.311 175.103 175.510 -0.161 0.000 1.083 434 N CA 0.971 53.825 53.050 -0.327 0.000 0.703 434 N CB -1.744 36.642 38.487 -0.169 0.000 1.005 434 N HN 0.631 nan 8.380 nan 0.000 0.550 435 N N -0.849 117.794 118.700 -0.095 0.000 2.721 435 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 435 N C -1.005 174.579 175.510 0.123 0.000 1.072 435 N CA 1.217 54.386 53.050 0.198 0.000 0.710 435 N CB -0.476 38.090 38.487 0.132 0.000 0.993 435 N HN 0.520 nan 8.380 nan 0.000 0.547 436 K N -0.048 120.411 120.400 0.099 0.000 2.213 436 K HA 0.219 4.539 4.320 -0.000 0.000 0.270 436 K C 1.274 177.911 176.600 0.060 0.000 1.002 436 K CA -0.431 55.889 56.287 0.056 0.000 0.868 436 K CB 0.992 33.508 32.500 0.026 0.000 1.093 436 K HN -0.008 nan 8.250 nan 0.000 0.454 437 T N 2.079 116.655 114.554 0.036 0.000 2.788 437 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 437 T C 1.133 175.845 174.700 0.020 0.000 1.044 437 T CA 1.493 63.600 62.100 0.013 0.000 1.139 437 T CB -0.030 68.841 68.868 0.006 0.000 0.867 437 T HN 0.561 nan 8.240 nan 0.000 0.454 438 E N 0.821 121.040 120.200 0.032 0.000 2.209 438 E HA -0.002 4.348 4.350 -0.000 0.000 0.196 438 E C 1.928 178.580 176.600 0.086 0.000 0.993 438 E CA 0.711 57.137 56.400 0.042 0.000 0.819 438 E CB -0.282 29.440 29.700 0.037 0.000 0.745 438 E HN 0.452 nan 8.360 nan 0.000 0.477 439 L N -0.731 120.560 121.223 0.113 0.000 2.316 439 L HA 0.098 4.438 4.340 -0.000 0.000 0.207 439 L C 1.952 179.001 176.870 0.300 0.000 1.070 439 L CA 0.174 55.156 54.840 0.236 0.000 0.820 439 L CB -0.104 42.015 42.059 0.098 0.000 0.992 439 L HN 0.113 nan 8.230 nan 0.000 0.466 440 L N -0.481 120.809 121.223 0.112 0.000 2.201 440 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 440 L C 2.424 179.251 176.870 -0.071 0.000 1.105 440 L CA 0.809 55.618 54.840 -0.051 0.000 0.775 440 L CB -0.310 41.612 42.059 -0.228 0.000 0.913 440 L HN 0.177 nan 8.230 nan 0.000 0.440 441 S N -0.272 115.419 115.700 -0.016 0.000 2.515 441 S HA 0.021 4.491 4.470 -0.000 0.000 0.231 441 S C 1.761 176.343 174.600 -0.029 0.000 0.987 441 S CA 0.713 58.891 58.200 -0.037 0.000 0.936 441 S CB -0.021 63.165 63.200 -0.023 0.000 0.766 441 S HN 0.349 nan 8.310 nan 0.000 0.528 442 L N 0.366 121.609 121.223 0.032 0.000 2.477 442 L HA 0.211 4.551 4.340 -0.000 0.000 0.220 442 L C 1.797 178.637 176.870 -0.051 0.000 1.106 442 L CA 0.198 55.022 54.840 -0.028 0.000 0.851 442 L CB -0.396 41.706 42.059 0.072 0.000 0.994 442 L HN 0.266 nan 8.230 nan 0.000 0.462 443 I N 0.162 120.725 120.570 -0.011 0.000 2.091 443 I HA -0.358 3.812 4.170 -0.000 0.000 0.239 443 I C 2.578 178.677 176.117 -0.030 0.000 1.061 443 I CA 1.498 62.773 61.300 -0.043 0.000 1.317 443 I CB -0.189 37.777 38.000 -0.057 0.000 1.031 443 I HN 0.299 nan 8.210 nan 0.000 0.401 444 Q N 0.656 120.423 119.800 -0.055 0.000 2.364 444 Q HA -0.185 4.155 4.340 -0.000 0.000 0.207 444 Q C 1.566 177.527 176.000 -0.065 0.000 0.970 444 Q CA 1.357 57.133 55.803 -0.044 0.000 0.888 444 Q CB -0.169 28.543 28.738 -0.044 0.000 0.951 444 Q HN 0.448 nan 8.270 nan 0.000 0.469 445 D N -1.208 119.118 120.400 -0.123 0.000 2.123 445 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 445 D C 1.320 177.474 176.300 -0.243 0.000 0.976 445 D CA 0.834 54.707 54.000 -0.212 0.000 0.831 445 D CB -0.146 40.460 40.800 -0.323 0.000 0.974 445 D HN 0.317 nan 8.370 nan 0.000 0.469 446 F N 1.018 120.862 119.950 -0.177 0.000 2.146 446 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 446 F C 2.468 178.175 175.800 -0.155 0.000 1.096 446 F CA 0.487 58.372 58.000 -0.191 0.000 1.275 446 F CB -0.094 38.739 39.000 -0.279 0.000 1.008 446 F HN -0.120 nan 8.300 nan 0.000 0.480 447 I N -0.404 120.197 120.570 0.052 0.000 2.286 447 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 447 I C 2.683 178.806 176.117 0.010 0.000 1.115 447 I CA 1.400 62.709 61.300 0.015 0.000 1.392 447 I CB -1.060 36.958 38.000 0.029 0.000 1.065 447 I HN 0.182 nan 8.210 nan 0.000 0.418 448 G N -0.207 108.583 108.800 -0.017 0.000 2.448 448 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 448 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 448 G C 1.566 176.442 174.900 -0.039 0.000 1.127 448 G CA 0.657 45.739 45.100 -0.029 0.000 0.766 448 G HN 0.375 nan 8.290 nan 0.000 0.552 449 S N -0.171 115.501 115.700 -0.047 0.000 2.593 449 S HA 0.349 4.819 4.470 -0.000 0.000 0.217 449 S C 1.824 176.409 174.600 -0.024 0.000 0.966 449 S CA 0.692 58.863 58.200 -0.049 0.000 0.914 449 S CB 0.142 63.300 63.200 -0.069 0.000 0.776 449 S HN 1.102 nan 8.310 nan 0.000 0.523 450 G N 1.490 110.281 108.800 -0.015 0.000 2.179 450 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 450 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 450 G C 0.181 175.020 174.900 -0.102 0.000 0.977 450 G CA 0.205 45.292 45.100 -0.021 0.000 0.641 450 G HN 0.506 nan 8.290 nan 0.000 0.533 451 S N 0.235 115.877 115.700 -0.097 0.000 2.576 451 S HA 0.547 5.017 4.470 -0.000 0.000 0.276 451 S C 0.757 175.079 174.600 -0.463 0.000 1.339 451 S CA 0.263 58.346 58.200 -0.194 0.000 1.039 451 S CB 1.658 64.878 63.200 0.033 0.000 0.902 451 S HN 1.317 nan 8.310 nan 0.000 0.516 452 G N 1.913 110.291 108.800 -0.704 0.000 2.335 452 G HA2 0.567 4.527 3.960 -0.000 0.000 0.314 452 G HA3 0.567 4.527 3.960 -0.000 0.000 0.314 452 G C -0.828 173.878 174.900 -0.322 0.000 1.129 452 G CA -0.579 43.931 45.100 -0.982 0.000 0.912 452 G HN 0.592 nan 8.290 nan 0.000 0.443 453 L N 2.779 123.876 121.223 -0.210 0.000 2.307 453 L HA 0.505 4.845 4.340 -0.000 0.000 0.284 453 L C -0.214 176.787 176.870 0.218 0.000 1.023 453 L CA -0.780 54.058 54.840 -0.004 0.000 0.810 453 L CB 2.176 44.191 42.059 -0.073 0.000 1.231 453 L HN 0.339 nan 8.230 nan 0.000 0.423 454 I N 4.650 125.371 120.570 0.253 0.000 2.328 454 I HA 0.340 4.510 4.170 -0.000 0.000 0.287 454 I C -0.325 175.937 176.117 0.242 0.000 1.012 454 I CA -0.213 61.255 61.300 0.279 0.000 1.195 454 I CB 1.266 39.401 38.000 0.225 0.000 1.350 454 I HN 0.422 nan 8.210 nan 0.000 0.464 455 I N 8.734 129.456 120.570 0.254 0.000 2.328 455 I HA 0.247 4.416 4.170 -0.000 0.000 0.287 455 I C -1.612 174.625 176.117 0.201 0.000 1.012 455 I CA -1.745 59.719 61.300 0.273 0.000 1.195 455 I CB 1.386 39.593 38.000 0.345 0.000 1.350 455 I HN 0.310 nan 8.210 nan 0.000 0.464 456 P HA -0.136 nan 4.420 nan 0.000 0.216 456 P C -0.303 177.052 177.300 0.091 0.000 1.154 456 P CA 1.576 64.735 63.100 0.099 0.000 0.865 456 P CB 0.182 31.921 31.700 0.064 0.000 0.789 457 N N -1.746 117.046 118.700 0.152 0.000 2.321 457 N HA 0.219 4.959 4.740 -0.000 0.000 0.290 457 N C -0.465 175.153 175.510 0.181 0.000 1.212 457 N CA -0.674 52.448 53.050 0.119 0.000 0.767 457 N CB 1.345 39.868 38.487 0.060 0.000 1.494 457 N HN -0.000 nan 8.380 nan 0.000 0.479 458 Q N 0.009 119.811 119.800 0.003 0.000 2.317 458 Q HA 0.326 4.666 4.340 -0.000 0.000 0.229 458 Q C -0.555 175.462 176.000 0.028 0.000 0.984 458 Q CA -0.509 55.146 55.803 -0.246 0.000 0.911 458 Q CB 1.153 29.673 28.738 -0.363 0.000 1.217 458 Q HN 0.550 nan 8.270 nan 0.000 0.501 459 W N -0.603 120.796 121.300 0.165 0.000 2.481 459 W HA 0.466 5.126 4.660 -0.000 0.000 0.369 459 W C -0.254 176.325 176.519 0.099 0.000 1.235 459 W CA -1.041 56.419 57.345 0.191 0.000 1.344 459 W CB 0.307 29.834 29.460 0.112 0.000 1.360 459 W HN 0.242 nan 8.180 nan 0.000 0.658 460 E N 1.487 121.895 120.200 0.347 0.000 2.373 460 E HA -0.046 4.304 4.350 -0.000 0.000 0.267 460 E C 1.069 177.818 176.600 0.248 0.000 1.032 460 E CA 0.069 56.592 56.400 0.204 0.000 0.889 460 E CB 0.463 30.258 29.700 0.159 0.000 0.984 460 E HN 0.438 nan 8.360 nan 0.000 0.425 461 D N 1.421 121.905 120.400 0.139 0.000 2.190 461 D HA -0.183 4.457 4.640 -0.000 0.000 0.200 461 D C 0.634 177.026 176.300 0.154 0.000 0.992 461 D CA 1.103 55.186 54.000 0.137 0.000 0.854 461 D CB 0.025 40.868 40.800 0.072 0.000 0.936 461 D HN 0.523 nan 8.370 nan 0.000 0.462 462 D N 0.351 120.830 120.400 0.130 0.000 2.652 462 D HA -0.028 4.612 4.640 -0.000 0.000 0.247 462 D C 0.619 176.987 176.300 0.112 0.000 1.232 462 D CA 0.157 54.219 54.000 0.103 0.000 0.863 462 D CB -0.040 40.806 40.800 0.077 0.000 1.023 462 D HN 0.185 nan 8.370 nan 0.000 0.474 463 K N -0.595 119.902 120.400 0.161 0.000 2.618 463 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 463 K C 0.600 177.254 176.600 0.089 0.000 1.445 463 K CA -0.387 55.964 56.287 0.106 0.000 1.034 463 K CB 0.823 33.389 32.500 0.110 0.000 1.209 463 K HN -0.143 nan 8.250 nan 0.000 0.627 464 D N 1.413 121.962 120.400 0.248 0.000 2.315 464 D HA -0.128 4.512 4.640 -0.000 0.000 0.211 464 D C 1.596 177.968 176.300 0.120 0.000 0.977 464 D CA 1.657 55.844 54.000 0.312 0.000 0.894 464 D CB 0.180 41.147 40.800 0.279 0.000 0.910 464 D HN 0.260 nan 8.370 nan 0.000 0.490 465 S N -0.678 115.060 115.700 0.063 0.000 2.501 465 S HA -0.007 4.463 4.470 -0.000 0.000 0.220 465 S C 1.999 176.587 174.600 -0.021 0.000 0.997 465 S CA 0.007 58.224 58.200 0.028 0.000 0.919 465 S CB 0.101 63.322 63.200 0.035 0.000 0.778 465 S HN 0.050 nan 8.310 nan 0.000 0.523 466 V N 1.309 121.180 119.914 -0.073 0.000 2.951 466 V HA 0.013 4.132 4.120 -0.000 0.000 0.255 466 V C 2.221 178.210 176.094 -0.175 0.000 1.088 466 V CA 0.794 63.023 62.300 -0.117 0.000 1.109 466 V CB -0.484 31.252 31.823 -0.145 0.000 0.724 466 V HN 0.408 nan 8.190 nan 0.000 0.471 467 V N -0.212 119.556 119.914 -0.243 0.000 2.450 467 V HA 0.618 4.738 4.120 -0.000 0.000 0.222 467 V C 0.974 177.002 176.094 -0.110 0.000 1.102 467 V CA 1.240 63.379 62.300 -0.268 0.000 1.102 467 V CB -0.470 31.062 31.823 -0.485 0.000 0.715 467 V HN 0.595 nan 8.190 nan 0.000 0.491 468 G N 0.236 109.012 108.800 -0.040 0.000 2.873 468 G HA2 0.008 3.968 3.960 -0.000 0.000 0.507 468 G HA3 0.008 3.968 3.960 -0.000 0.000 0.507 468 G C -0.263 174.657 174.900 0.032 0.000 1.440 468 G CA -0.365 44.736 45.100 0.002 0.000 1.016 468 G HN 0.096 nan 8.290 nan 0.000 0.615 469 K N 0.645 121.073 120.400 0.047 0.000 2.283 469 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 469 K C 1.394 177.990 176.600 -0.005 0.000 1.048 469 K CA 0.536 56.848 56.287 0.041 0.000 0.948 469 K CB -0.057 32.471 32.500 0.046 0.000 0.742 469 K HN 0.651 nan 8.250 nan 0.000 0.458 470 Q N 2.275 122.079 119.800 0.007 0.000 2.339 470 Q HA -0.105 4.235 4.340 -0.000 0.000 0.308 470 Q C -0.431 175.559 176.000 -0.016 0.000 1.097 470 Q CA 0.457 56.265 55.803 0.008 0.000 1.007 470 Q CB -0.336 28.420 28.738 0.030 0.000 1.051 470 Q HN 0.162 nan 8.270 nan 0.000 0.381 471 N N 1.583 120.250 118.700 -0.054 0.000 2.708 471 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 471 N C -1.557 173.754 175.510 -0.332 0.000 1.097 471 N CA 1.068 54.061 53.050 -0.096 0.000 0.710 471 N CB -1.202 37.433 38.487 0.247 0.000 1.032 471 N HN 0.283 nan 8.380 nan 0.000 0.551 472 V N 1.170 120.817 119.914 -0.445 0.000 2.384 472 V HA 0.424 4.544 4.120 -0.000 0.000 0.287 472 V C -0.152 175.677 176.094 -0.443 0.000 1.020 472 V CA -0.631 61.525 62.300 -0.241 0.000 0.850 472 V CB 0.840 32.672 31.823 0.015 0.000 0.987 472 V HN 0.085 nan 8.190 nan 0.000 0.436 473 Y N 4.464 124.832 120.300 0.114 0.000 2.393 473 Y HA 0.657 5.207 4.550 -0.000 0.000 0.341 473 Y C -0.210 175.670 175.900 -0.032 0.000 0.988 473 Y CA -0.943 57.172 58.100 0.026 0.000 1.078 473 Y CB 1.875 40.318 38.460 -0.028 0.000 1.203 473 Y HN 0.507 nan 8.280 nan 0.000 0.453 474 L N 4.580 125.837 121.223 0.056 0.000 2.289 474 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 474 L C -1.273 175.558 176.870 -0.064 0.000 1.049 474 L CA -0.745 54.083 54.840 -0.020 0.000 0.804 474 L CB 1.057 43.085 42.059 -0.051 0.000 1.195 474 L HN 0.640 nan 8.230 nan 0.000 0.428 475 L N 5.352 126.543 121.223 -0.054 0.000 2.277 475 L HA 0.617 4.957 4.340 -0.000 0.000 0.284 475 L C -0.990 175.852 176.870 -0.047 0.000 1.028 475 L CA 0.461 55.262 54.840 -0.066 0.000 0.835 475 L CB 0.638 42.677 42.059 -0.033 0.000 1.215 475 L HN 0.839 nan 8.230 nan 0.000 0.425 476 D N 0.633 121.004 120.400 -0.048 0.000 2.692 476 D HA 0.357 4.997 4.640 -0.000 0.000 0.303 476 D C 0.624 176.910 176.300 -0.024 0.000 1.278 476 D CA 0.392 54.372 54.000 -0.034 0.000 0.852 476 D CB 1.569 42.344 40.800 -0.042 0.000 1.375 476 D HN 0.452 nan 8.370 nan 0.000 0.453 477 T N -1.944 112.601 114.554 -0.016 0.000 3.051 477 T HA 0.143 4.493 4.350 -0.000 0.000 0.255 477 T C 1.025 175.721 174.700 -0.008 0.000 1.085 477 T CA 0.449 62.545 62.100 -0.007 0.000 1.109 477 T CB -0.387 68.479 68.868 -0.004 0.000 0.921 477 T HN 0.375 nan 8.240 nan 0.000 0.488 478 S N 2.332 118.025 115.700 -0.013 0.000 2.568 478 S HA 0.143 4.613 4.470 -0.000 0.000 0.282 478 S C 1.500 176.096 174.600 -0.006 0.000 1.338 478 S CA -0.089 58.105 58.200 -0.010 0.000 1.045 478 S CB 0.939 64.129 63.200 -0.016 0.000 0.873 478 S HN 0.516 nan 8.310 nan 0.000 0.516 479 S N 1.307 117.007 115.700 0.000 0.000 2.500 479 S HA -0.103 4.366 4.470 -0.000 0.000 0.239 479 S C 1.581 176.187 174.600 0.009 0.000 0.989 479 S CA 0.622 58.826 58.200 0.007 0.000 0.951 479 S CB -0.919 62.288 63.200 0.011 0.000 0.759 479 S HN 1.088 nan 8.310 nan 0.000 0.523 480 S N 0.821 116.523 115.700 0.004 0.000 2.593 480 S HA 0.567 5.037 4.470 -0.000 0.000 0.217 480 S C 0.737 175.339 174.600 0.003 0.000 0.966 480 S CA -0.113 58.091 58.200 0.007 0.000 0.914 480 S CB -0.328 62.874 63.200 0.002 0.000 0.776 480 S HN 0.712 nan 8.310 nan 0.000 0.523 481 A N 1.597 124.412 122.820 -0.009 0.000 2.351 481 A HA 0.382 4.702 4.320 -0.000 0.000 0.257 481 A C 0.823 178.393 177.584 -0.022 0.000 1.087 481 A CA -0.319 51.703 52.037 -0.025 0.000 0.798 481 A CB 0.258 19.232 19.000 -0.043 0.000 1.033 481 A HN 0.308 nan 8.150 nan 0.000 0.488 482 D N 0.314 120.688 120.400 -0.044 0.000 2.213 482 D HA 0.059 4.699 4.640 -0.000 0.000 0.205 482 D C 0.071 176.191 176.300 -0.299 0.000 0.961 482 D CA 1.375 55.341 54.000 -0.057 0.000 0.853 482 D CB 0.184 41.026 40.800 0.070 0.000 0.967 482 D HN 0.514 nan 8.370 nan 0.000 0.496 483 I N 1.565 121.916 120.570 -0.365 0.000 2.437 483 I HA 0.153 4.323 4.170 -0.000 0.000 0.279 483 I C -0.240 175.783 176.117 -0.158 0.000 1.028 483 I CA -0.441 60.627 61.300 -0.387 0.000 1.142 483 I CB 1.787 39.478 38.000 -0.516 0.000 1.266 483 I HN -0.283 nan 8.210 nan 0.000 0.461 484 Q N 6.500 126.250 119.800 -0.082 0.000 2.331 484 Q HA 0.516 4.856 4.340 -0.000 0.000 0.257 484 Q C -1.138 174.857 176.000 -0.008 0.000 0.957 484 Q CA -0.600 55.183 55.803 -0.033 0.000 0.923 484 Q CB 1.341 30.073 28.738 -0.009 0.000 1.212 484 Q HN 0.616 nan 8.270 nan 0.000 0.443 485 L N 3.675 124.899 121.223 0.002 0.000 2.350 485 L HA 0.177 4.517 4.340 -0.000 0.000 0.275 485 L C 1.110 178.004 176.870 0.040 0.000 1.099 485 L CA -0.148 54.714 54.840 0.036 0.000 0.808 485 L CB 1.068 43.152 42.059 0.042 0.000 1.149 485 L HN 0.777 nan 8.230 nan 0.000 0.442 486 E N 0.490 120.729 120.200 0.065 0.000 2.152 486 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 486 E C 0.449 177.063 176.600 0.024 0.000 0.983 486 E CA 0.677 57.104 56.400 0.044 0.000 0.818 486 E CB 0.290 30.024 29.700 0.057 0.000 0.758 486 E HN 0.529 nan 8.360 nan 0.000 0.467 487 S N -1.916 113.798 115.700 0.023 0.000 2.704 487 S HA 0.585 5.055 4.470 -0.000 0.000 0.296 487 S C -0.141 174.463 174.600 0.007 0.000 1.138 487 S CA -0.213 57.989 58.200 0.003 0.000 0.875 487 S CB 1.737 64.926 63.200 -0.019 0.000 1.151 487 S HN 0.035 nan 8.310 nan 0.000 0.500 488 A N 0.672 123.491 122.820 -0.002 0.000 2.220 488 A HA 0.271 4.591 4.320 -0.000 0.000 0.211 488 A C 0.280 177.862 177.584 -0.004 0.000 1.176 488 A CA 0.741 52.778 52.037 -0.001 0.000 0.834 488 A CB -0.406 18.591 19.000 -0.005 0.000 0.868 488 A HN 0.838 nan 8.150 nan 0.000 0.488 489 D N -0.288 120.106 120.400 -0.012 0.000 3.008 489 D HA 0.218 4.858 4.640 -0.000 0.000 0.312 489 D C -0.327 175.955 176.300 -0.030 0.000 1.361 489 D CA -0.369 53.620 54.000 -0.017 0.000 0.858 489 D CB 0.129 40.916 40.800 -0.021 0.000 1.098 489 D HN 0.048 nan 8.370 nan 0.000 0.482 490 E N 1.107 121.296 120.200 -0.019 0.000 2.349 490 E HA 0.294 4.644 4.350 -0.000 0.000 0.262 490 E C -2.173 174.422 176.600 -0.008 0.000 1.088 490 E CA -1.973 54.400 56.400 -0.045 0.000 0.899 490 E CB 0.306 30.031 29.700 0.042 0.000 1.044 490 E HN 0.163 nan 8.360 nan 0.000 0.420 491 P HA 0.112 nan 4.420 nan 0.000 0.268 491 P C 0.881 178.223 177.300 0.069 0.000 1.205 491 P CA 0.074 63.187 63.100 0.021 0.000 0.771 491 P CB 0.503 32.212 31.700 0.016 0.000 0.858 492 I N 1.343 121.932 120.570 0.033 0.000 2.264 492 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 492 I C 2.108 178.242 176.117 0.029 0.000 1.111 492 I CA 2.173 63.486 61.300 0.022 0.000 1.382 492 I CB -0.603 37.393 38.000 -0.007 0.000 1.060 492 I HN 0.425 nan 8.210 nan 0.000 0.418 493 S N -0.568 115.153 115.700 0.035 0.000 2.423 493 S HA -0.269 4.201 4.470 -0.000 0.000 0.231 493 S C 1.897 176.534 174.600 0.062 0.000 1.014 493 S CA 1.277 59.495 58.200 0.031 0.000 0.965 493 S CB -0.619 62.597 63.200 0.026 0.000 0.785 493 S HN 0.557 nan 8.310 nan 0.000 0.495 494 H N 1.909 120.976 119.070 -0.004 0.000 2.299 494 H HA 0.159 4.715 4.556 -0.000 0.000 0.302 494 H C 1.842 177.176 175.328 0.010 0.000 1.078 494 H CA 2.012 58.062 56.048 0.003 0.000 1.323 494 H CB -0.448 29.314 29.762 -0.000 0.000 1.381 494 H HN 0.386 nan 8.280 nan 0.000 0.498 495 I N -0.404 120.221 120.570 0.091 0.000 2.163 495 I HA -0.289 3.880 4.170 -0.000 0.000 0.243 495 I C 2.340 178.455 176.117 -0.003 0.000 1.085 495 I CA 1.252 62.569 61.300 0.028 0.000 1.347 495 I CB -0.456 37.574 38.000 0.050 0.000 1.044 495 I HN 0.177 nan 8.210 nan 0.000 0.408 496 V N 0.617 120.532 119.914 0.001 0.000 2.252 496 V HA -0.373 3.746 4.120 -0.000 0.000 0.249 496 V C 2.576 178.698 176.094 0.047 0.000 1.056 496 V CA 2.375 64.678 62.300 0.005 0.000 1.022 496 V CB -0.808 30.994 31.823 -0.034 0.000 0.641 496 V HN 0.528 nan 8.190 nan 0.000 0.445 497 Q N -0.268 119.539 119.800 0.012 0.000 2.112 497 Q HA -0.296 4.044 4.340 -0.000 0.000 0.206 497 Q C 2.340 178.353 176.000 0.021 0.000 0.987 497 Q CA 2.091 57.905 55.803 0.019 0.000 0.858 497 Q CB -0.120 28.599 28.738 -0.032 0.000 0.905 497 Q HN 0.586 nan 8.270 nan 0.000 0.420 498 K N -0.750 119.626 120.400 -0.041 0.000 2.057 498 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 498 K C 1.969 178.619 176.600 0.084 0.000 1.049 498 K CA 1.441 57.716 56.287 -0.020 0.000 0.931 498 K CB 0.097 32.545 32.500 -0.086 0.000 0.714 498 K HN 0.099 nan 8.250 nan 0.000 0.440 499 V N 0.420 120.400 119.914 0.109 0.000 2.323 499 V HA -0.204 3.916 4.120 -0.000 0.000 0.244 499 V C 2.195 178.489 176.094 0.333 0.000 1.041 499 V CA 1.346 63.763 62.300 0.195 0.000 1.025 499 V CB -0.236 31.716 31.823 0.216 0.000 0.656 499 V HN 0.080 nan 8.190 nan 0.000 0.451 500 V N 0.075 120.218 119.914 0.382 0.000 2.287 500 V HA -0.270 3.849 4.120 -0.000 0.000 0.248 500 V C 2.303 178.598 176.094 0.336 0.000 1.053 500 V CA 2.098 64.703 62.300 0.509 0.000 1.027 500 V CB -0.576 31.511 31.823 0.439 0.000 0.646 500 V HN 0.452 nan 8.190 nan 0.000 0.447 501 L N -1.350 119.993 121.223 0.199 0.000 2.275 501 L HA -0.129 4.211 4.340 -0.000 0.000 0.215 501 L C 2.296 179.220 176.870 0.089 0.000 1.119 501 L CA 1.336 56.245 54.840 0.115 0.000 0.790 501 L CB -0.543 41.555 42.059 0.064 0.000 0.919 501 L HN 0.390 nan 8.230 nan 0.000 0.443 502 F N 0.959 120.897 119.950 -0.019 0.000 2.098 502 F HA -0.165 4.362 4.527 -0.000 0.000 0.294 502 F C 2.163 177.865 175.800 -0.162 0.000 1.107 502 F CA 1.466 59.408 58.000 -0.097 0.000 1.234 502 F CB -0.178 38.742 39.000 -0.133 0.000 1.002 502 F HN -0.162 nan 8.300 nan 0.000 0.472 503 L N 0.215 121.341 121.223 -0.161 0.000 2.083 503 L HA -0.197 4.142 4.340 -0.000 0.000 0.209 503 L C 2.598 179.287 176.870 -0.301 0.000 1.083 503 L CA 1.686 56.256 54.840 -0.449 0.000 0.752 503 L CB -0.945 40.635 42.059 -0.799 0.000 0.899 503 L HN 0.260 nan 8.230 nan 0.000 0.433 504 E N 0.590 120.755 120.200 -0.058 0.000 2.106 504 E HA -0.276 4.074 4.350 -0.000 0.000 0.192 504 E C 1.574 178.129 176.600 -0.074 0.000 0.984 504 E CA 1.679 58.112 56.400 0.055 0.000 0.806 504 E CB 0.051 29.875 29.700 0.206 0.000 0.750 504 E HN 0.440 nan 8.360 nan 0.000 0.458 505 D N 0.064 120.374 120.400 -0.150 0.000 2.219 505 D HA -0.073 4.566 4.640 -0.000 0.000 0.205 505 D C 1.233 177.374 176.300 -0.265 0.000 0.970 505 D CA 0.718 54.607 54.000 -0.185 0.000 0.851 505 D CB -0.039 40.645 40.800 -0.193 0.000 0.943 505 D HN 0.055 nan 8.370 nan 0.000 0.488 506 N N -0.627 117.846 118.700 -0.378 0.000 2.314 506 N HA 0.097 4.837 4.740 -0.000 0.000 0.200 506 N C 1.064 176.323 175.510 -0.419 0.000 1.135 506 N CA 0.760 53.580 53.050 -0.382 0.000 0.835 506 N CB 0.994 39.212 38.487 -0.449 0.000 0.989 506 N HN 0.308 nan 8.380 nan 0.000 0.478 507 G N 0.712 109.318 108.800 -0.323 0.000 2.184 507 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.264 507 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.264 507 G C 0.709 175.377 174.900 -0.387 0.000 0.975 507 G CA 0.133 45.034 45.100 -0.331 0.000 0.642 507 G HN 0.359 nan 8.290 nan 0.000 0.536 508 F N -0.223 119.516 119.950 -0.353 0.000 2.259 508 F HA 0.347 4.874 4.527 -0.000 0.000 0.298 508 F C 1.444 177.048 175.800 -0.327 0.000 1.088 508 F CA 0.880 58.639 58.000 -0.401 0.000 1.358 508 F CB -0.035 38.521 39.000 -0.740 0.000 1.040 508 F HN 0.198 nan 8.300 nan 0.000 0.505 509 F N -0.466 119.470 119.950 -0.024 0.000 2.469 509 F HA 0.575 5.102 4.527 -0.000 0.000 0.332 509 F C -0.390 175.163 175.800 -0.412 0.000 1.103 509 F CA -1.291 56.552 58.000 -0.261 0.000 0.979 509 F CB 1.563 40.389 39.000 -0.289 0.000 1.137 509 F HN -0.573 nan 8.300 nan 0.000 0.463 510 V N 3.902 123.543 119.914 -0.455 0.000 2.638 510 V HA 0.479 4.599 4.120 -0.000 0.000 0.306 510 V C -0.765 174.937 176.094 -0.655 0.000 1.052 510 V CA -0.883 61.192 62.300 -0.376 0.000 0.885 510 V CB 1.831 33.553 31.823 -0.168 0.000 0.999 510 V HN 0.564 nan 8.190 nan 0.000 0.424 511 F N 0.000 119.937 119.950 -0.022 0.000 2.286 511 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 511 F CA 0.000 57.986 58.000 -0.023 0.000 1.383 511 F CB 0.000 38.964 39.000 -0.060 0.000 1.145 511 F HN 0.000 nan 8.300 nan 0.000 0.574