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 1hm8_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNFAIILAAG KGTRMKSDLP KVLHKVAGIS MLEHVFRSVG AIQPEKTVTV DATA SEQUENCE VGHKAELVEE VLAGQTEFVT QSEQLGTGHA VMMTEPILEG LSGHTLVIAG DATA SEQUENCE DTPLITGESL KNLIDFHINH KNVATILTAE TDNPFGYGRI VRNDNAEVLR DATA SEQUENCE IVEQKDATDF EKQIKEINTG TYVFDNERLF EALKNINTNN AQGEYYITDV DATA SEQUENCE IGIFRETGEK VGAYTLKDFD ESLGVNDRVA LATAESVMRR RINHKHMVNG DATA SEQUENCE VSFVNPEATY IDIDVEIAPE VQIEANVILK GQTKIGAETV LTNGTYVVDS DATA SEQUENCE TIGAGAVITN SMIEESSVAD GVTVGPYAHI RPNSSLGAQV HIGNFVEVKG DATA SEQUENCE SSIGENTKAG HLTYIGNCEV GSNVNFGAGT ITVNYDGKNK YKTVIGDNVF DATA SEQUENCE VGSNSTIIAP VELGDNSLVG AGSTITKDVP ADAIAIGRGR QINKDEYATR DATA SEQUENCE LPHHPKNQ 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.405 174.600 -0.325 0.000 1.055 2 S CA 0.000 58.082 58.200 -0.197 0.000 1.107 2 S CB 0.000 63.168 63.200 -0.054 0.000 0.593 3 N N 0.534 118.831 118.700 -0.671 0.000 2.295 3 N HA 0.690 5.431 4.740 0.001 0.000 0.293 3 N C -1.851 173.205 175.510 -0.757 0.000 1.040 3 N CA -0.077 52.690 53.050 -0.471 0.000 0.840 3 N CB 1.418 39.797 38.487 -0.180 0.000 1.468 3 N HN 0.225 nan 8.380 nan 0.000 0.478 4 F N 0.463 120.483 119.950 0.116 0.000 2.588 4 F HA 0.811 5.339 4.527 0.001 0.000 0.314 4 F C 0.164 176.023 175.800 0.099 0.000 1.069 4 F CA -1.071 56.988 58.000 0.098 0.000 0.931 4 F CB 1.755 40.823 39.000 0.114 0.000 1.260 4 F HN 0.356 nan 8.300 nan 0.000 0.465 5 A N 2.437 125.419 122.820 0.270 0.000 2.386 5 A HA 0.903 5.223 4.320 0.001 0.000 0.311 5 A C -1.299 176.388 177.584 0.170 0.000 1.068 5 A CA -0.590 51.560 52.037 0.188 0.000 0.743 5 A CB 1.090 20.171 19.000 0.134 0.000 1.258 5 A HN 0.722 nan 8.150 nan 0.000 0.429 6 I N 2.636 123.300 120.570 0.156 0.000 2.439 6 I HA 0.352 4.522 4.170 0.001 0.000 0.285 6 I C -1.043 175.143 176.117 0.115 0.000 1.021 6 I CA -0.191 61.186 61.300 0.128 0.000 1.091 6 I CB 1.732 39.806 38.000 0.122 0.000 1.242 6 I HN 0.505 nan 8.210 nan 0.000 0.439 7 I N 6.829 127.459 120.570 0.100 0.000 2.330 7 I HA 0.248 4.418 4.170 0.001 0.000 0.289 7 I C -0.693 175.462 176.117 0.063 0.000 1.001 7 I CA -0.809 60.538 61.300 0.079 0.000 1.193 7 I CB 1.269 39.315 38.000 0.076 0.000 1.345 7 I HN 0.255 nan 8.210 nan 0.000 0.461 8 L N 6.645 127.903 121.223 0.058 0.000 2.342 8 L HA 0.345 4.686 4.340 0.001 0.000 0.285 8 L C 0.842 177.739 176.870 0.045 0.000 1.095 8 L CA 0.355 55.229 54.840 0.055 0.000 0.843 8 L CB 0.628 42.724 42.059 0.062 0.000 1.201 8 L HN 0.751 nan 8.230 nan 0.000 0.445 9 A N 2.873 125.728 122.820 0.060 0.000 2.594 9 A HA 0.657 4.978 4.320 0.001 0.000 0.292 9 A C 1.214 178.847 177.584 0.081 0.000 1.026 9 A CA 0.434 52.506 52.037 0.059 0.000 0.983 9 A CB 0.192 19.226 19.000 0.057 0.000 1.233 9 A HN 0.622 nan 8.150 nan 0.000 0.519 10 A N -0.368 122.505 122.820 0.087 0.000 2.252 10 A HA 0.522 4.843 4.320 0.001 0.000 0.213 10 A C 1.456 179.123 177.584 0.138 0.000 1.188 10 A CA 0.621 52.726 52.037 0.113 0.000 0.863 10 A CB -0.564 18.494 19.000 0.097 0.000 0.893 10 A HN 1.153 nan 8.150 nan 0.000 0.495 11 G N 0.213 109.074 108.800 0.101 0.000 2.852 11 G HA2 0.085 4.045 3.960 0.001 0.000 0.228 11 G HA3 0.085 4.045 3.960 0.001 0.000 0.228 11 G C 0.117 175.078 174.900 0.101 0.000 1.227 11 G CA 0.307 45.459 45.100 0.085 0.000 0.854 11 G HN 0.425 nan 8.290 nan 0.000 0.573 12 K N 1.099 121.521 120.400 0.037 0.000 2.290 12 K HA 0.434 4.754 4.320 0.001 0.000 0.250 12 K C 0.957 177.554 176.600 -0.005 0.000 1.092 12 K CA 0.048 56.319 56.287 -0.026 0.000 1.006 12 K CB 0.111 32.571 32.500 -0.065 0.000 1.549 12 K HN 0.461 nan 8.250 nan 0.000 0.436 13 G N 2.494 111.317 108.800 0.038 0.000 3.180 13 G HA2 -0.093 3.868 3.960 0.001 0.000 0.252 13 G HA3 -0.093 3.868 3.960 0.001 0.000 0.252 13 G C 1.010 175.914 174.900 0.005 0.000 0.871 13 G CA 0.115 45.230 45.100 0.026 0.000 1.979 13 G HN 0.775 nan 8.290 nan 0.000 0.624 14 T N -1.024 113.520 114.554 -0.016 0.000 2.788 14 T HA -0.169 4.182 4.350 0.001 0.000 0.268 14 T C 2.153 176.842 174.700 -0.019 0.000 1.044 14 T CA 0.635 62.722 62.100 -0.020 0.000 1.139 14 T CB -0.137 68.714 68.868 -0.028 0.000 0.867 14 T HN 0.424 nan 8.240 nan 0.000 0.454 15 R N 0.151 120.636 120.500 -0.026 0.000 2.316 15 R HA 0.215 4.556 4.340 0.001 0.000 0.202 15 R C 2.140 178.415 176.300 -0.042 0.000 1.029 15 R CA 0.499 56.580 56.100 -0.030 0.000 1.018 15 R CB -0.264 30.015 30.300 -0.034 0.000 0.888 15 R HN 0.364 nan 8.270 nan 0.000 0.471 16 M N 0.371 119.941 119.600 -0.050 0.000 2.288 16 M HA -0.013 4.468 4.480 0.001 0.000 0.266 16 M C 0.394 176.666 176.300 -0.047 0.000 1.072 16 M CA 1.013 56.258 55.300 -0.092 0.000 1.132 16 M CB -0.283 32.234 32.600 -0.138 0.000 1.386 16 M HN -0.153 nan 8.290 nan 0.000 0.432 17 K N 0.729 121.125 120.400 -0.008 0.000 3.162 17 K HA -0.108 4.213 4.320 0.001 0.000 0.268 17 K C -0.258 176.369 176.600 0.045 0.000 1.062 17 K CA 0.576 56.871 56.287 0.013 0.000 0.769 17 K CB -1.584 30.918 32.500 0.003 0.000 1.274 17 K HN 0.350 nan 8.250 nan 0.000 0.478 18 S N -1.056 114.692 115.700 0.081 0.000 2.569 18 S HA 0.465 4.936 4.470 0.001 0.000 0.280 18 S C 0.147 174.828 174.600 0.135 0.000 1.111 18 S CA -0.877 57.407 58.200 0.140 0.000 0.887 18 S CB 1.489 64.865 63.200 0.294 0.000 1.095 18 S HN 0.154 nan 8.310 nan 0.000 0.476 19 D N 1.170 121.635 120.400 0.108 0.000 2.305 19 D HA 0.111 4.751 4.640 0.001 0.000 0.206 19 D C 0.453 176.808 176.300 0.093 0.000 0.974 19 D CA 0.378 54.434 54.000 0.094 0.000 0.871 19 D CB -0.029 40.805 40.800 0.056 0.000 0.947 19 D HN 0.364 nan 8.370 nan 0.000 0.516 20 L N 2.101 123.363 121.223 0.065 0.000 2.410 20 L HA 0.230 4.571 4.340 0.001 0.000 0.273 20 L C -2.334 174.568 176.870 0.053 0.000 1.144 20 L CA -1.402 53.423 54.840 -0.026 0.000 0.863 20 L CB 0.504 42.425 42.059 -0.230 0.000 1.140 20 L HN -0.276 nan 8.230 nan 0.000 0.463 21 P HA -0.068 nan 4.420 nan 0.000 0.261 21 P C 0.255 177.636 177.300 0.136 0.000 1.173 21 P CA 0.277 63.380 63.100 0.004 0.000 0.760 21 P CB 0.430 32.050 31.700 -0.134 0.000 0.783 22 K N 3.462 123.990 120.400 0.213 0.000 2.071 22 K HA -0.239 4.082 4.320 0.001 0.000 0.217 22 K C 1.466 178.205 176.600 0.231 0.000 1.054 22 K CA 2.482 58.919 56.287 0.250 0.000 0.937 22 K CB -0.588 31.985 32.500 0.122 0.000 0.719 22 K HN 0.380 nan 8.250 nan 0.000 0.454 23 V N -0.732 119.249 119.914 0.112 0.000 3.241 23 V HA -0.098 4.023 4.120 0.001 0.000 0.269 23 V C 1.701 177.824 176.094 0.049 0.000 1.151 23 V CA 1.284 63.620 62.300 0.061 0.000 1.158 23 V CB -0.537 31.288 31.823 0.003 0.000 0.764 23 V HN 0.245 nan 8.190 nan 0.000 0.508 24 L N -0.777 120.469 121.223 0.039 0.000 2.509 24 L HA 0.195 4.535 4.340 0.001 0.000 0.222 24 L C 1.132 177.969 176.870 -0.056 0.000 1.123 24 L CA 0.044 54.867 54.840 -0.028 0.000 0.856 24 L CB -0.597 41.413 42.059 -0.082 0.000 0.985 24 L HN 0.413 nan 8.230 nan 0.000 0.456 25 H N 2.599 121.679 119.070 0.017 0.000 2.964 25 H HA 0.084 4.640 4.556 0.001 0.000 0.328 25 H C 0.116 175.466 175.328 0.037 0.000 1.030 25 H CA 0.329 56.392 56.048 0.024 0.000 1.445 25 H CB 0.676 30.451 29.762 0.021 0.000 1.449 25 H HN 0.038 nan 8.280 nan 0.000 0.581 26 K N 2.447 122.917 120.400 0.118 0.000 2.258 26 K HA 0.251 4.572 4.320 0.001 0.000 0.264 26 K C -0.273 176.408 176.600 0.135 0.000 1.007 26 K CA -0.523 55.831 56.287 0.110 0.000 0.941 26 K CB 1.385 33.931 32.500 0.077 0.000 0.966 26 K HN 0.235 nan 8.250 nan 0.000 0.480 27 V N 1.286 121.304 119.914 0.174 0.000 2.501 27 V HA 0.234 4.354 4.120 0.001 0.000 0.277 27 V C -0.209 176.027 176.094 0.237 0.000 1.004 27 V CA -0.390 62.009 62.300 0.164 0.000 0.862 27 V CB 0.912 32.793 31.823 0.097 0.000 1.035 27 V HN 0.923 nan 8.190 nan 0.000 0.448 28 A N 3.670 126.584 122.820 0.157 0.000 2.914 28 A HA 0.150 4.471 4.320 0.001 0.000 0.280 28 A C 1.702 179.374 177.584 0.148 0.000 1.447 28 A CA 1.488 53.619 52.037 0.156 0.000 0.759 28 A CB -1.434 17.662 19.000 0.160 0.000 1.034 28 A HN 2.548 nan 8.150 nan 0.000 0.529 29 G N -2.027 106.840 108.800 0.111 0.000 2.349 29 G HA2 -0.047 3.914 3.960 0.001 0.000 0.213 29 G HA3 -0.047 3.914 3.960 0.001 0.000 0.213 29 G C 0.427 175.351 174.900 0.041 0.000 1.044 29 G CA 0.401 45.544 45.100 0.071 0.000 0.633 29 G HN 2.415 nan 8.290 nan 0.000 0.506 30 I N -0.302 120.282 120.570 0.024 0.000 3.002 30 I HA 0.837 5.007 4.170 0.001 0.000 0.310 30 I C 0.468 176.580 176.117 -0.009 0.000 1.087 30 I CA -0.505 60.764 61.300 -0.051 0.000 1.017 30 I CB 2.077 39.958 38.000 -0.198 0.000 1.226 30 I HN 0.403 nan 8.210 nan 0.000 0.443 31 S N 3.256 118.949 115.700 -0.013 0.000 2.593 31 S HA 0.274 4.744 4.470 0.001 0.000 0.269 31 S C 0.963 175.613 174.600 0.082 0.000 1.334 31 S CA -0.647 57.575 58.200 0.037 0.000 1.015 31 S CB 1.122 64.328 63.200 0.009 0.000 0.912 31 S HN 0.819 nan 8.310 nan 0.000 0.541 32 M N 0.617 120.289 119.600 0.121 0.000 2.108 32 M HA -0.117 4.363 4.480 0.001 0.000 0.261 32 M C 2.073 178.381 176.300 0.014 0.000 1.066 32 M CA 1.438 56.816 55.300 0.129 0.000 1.107 32 M CB -0.872 31.766 32.600 0.064 0.000 1.356 32 M HN 0.755 nan 8.290 nan 0.000 0.406 33 L N 1.033 122.200 121.223 -0.094 0.000 2.013 33 L HA -0.214 4.126 4.340 0.001 0.000 0.212 33 L C 2.076 178.668 176.870 -0.463 0.000 1.073 33 L CA 2.015 56.659 54.840 -0.326 0.000 0.753 33 L CB -0.706 41.146 42.059 -0.345 0.000 0.890 33 L HN 0.299 nan 8.230 nan 0.000 0.432 34 E N -1.534 118.542 120.200 -0.206 0.000 2.110 34 E HA -0.238 4.112 4.350 0.001 0.000 0.193 34 E C 2.091 178.667 176.600 -0.041 0.000 0.988 34 E CA 1.256 57.632 56.400 -0.041 0.000 0.804 34 E CB -0.323 29.365 29.700 -0.021 0.000 0.745 34 E HN 0.656 nan 8.360 nan 0.000 0.458 35 H N 0.152 119.215 119.070 -0.013 0.000 2.353 35 H HA -0.077 4.479 4.556 0.001 0.000 0.300 35 H C 2.377 177.704 175.328 -0.003 0.000 1.090 35 H CA 1.162 57.213 56.048 0.005 0.000 1.327 35 H CB -0.133 29.623 29.762 -0.009 0.000 1.383 35 H HN 0.041 nan 8.280 nan 0.000 0.508 36 V N 1.065 121.008 119.914 0.049 0.000 2.407 36 V HA -0.236 3.885 4.120 0.001 0.000 0.248 36 V C 2.250 178.392 176.094 0.080 0.000 1.055 36 V CA 1.409 63.710 62.300 0.001 0.000 1.049 36 V CB -0.733 31.028 31.823 -0.102 0.000 0.662 36 V HN 0.185 nan 8.190 nan 0.000 0.455 37 F N 0.542 120.510 119.950 0.030 0.000 2.234 37 F HA -0.062 4.465 4.527 0.001 0.000 0.299 37 F C 2.481 178.287 175.800 0.010 0.000 1.087 37 F CA 1.062 59.067 58.000 0.009 0.000 1.340 37 F CB -0.704 38.294 39.000 -0.004 0.000 1.031 37 F HN 0.078 nan 8.300 nan 0.000 0.500 38 R N -0.181 120.444 120.500 0.208 0.000 2.090 38 R HA -0.093 4.248 4.340 0.001 0.000 0.228 38 R C 2.467 178.824 176.300 0.095 0.000 1.110 38 R CA 1.512 57.687 56.100 0.125 0.000 0.973 38 R CB -0.485 29.875 30.300 0.101 0.000 0.869 38 R HN 0.340 nan 8.270 nan 0.000 0.440 39 S N 0.149 115.906 115.700 0.095 0.000 2.387 39 S HA -0.059 4.412 4.470 0.001 0.000 0.226 39 S C 2.133 176.770 174.600 0.061 0.000 1.026 39 S CA 0.849 59.087 58.200 0.063 0.000 0.972 39 S CB -0.455 62.774 63.200 0.048 0.000 0.814 39 S HN 0.025 nan 8.310 nan 0.000 0.477 40 V N 2.629 122.595 119.914 0.087 0.000 2.332 40 V HA -0.088 4.032 4.120 0.001 0.000 0.248 40 V C 2.874 179.005 176.094 0.061 0.000 1.055 40 V CA 1.898 64.249 62.300 0.085 0.000 1.038 40 V CB -1.637 30.268 31.823 0.136 0.000 0.651 40 V HN 0.677 nan 8.190 nan 0.000 0.450 41 G N -0.475 108.362 108.800 0.062 0.000 2.462 41 G HA2 -0.220 3.740 3.960 0.001 0.000 0.220 41 G HA3 -0.220 3.740 3.960 0.001 0.000 0.220 41 G C 1.672 176.582 174.900 0.017 0.000 1.121 41 G CA 0.911 46.028 45.100 0.029 0.000 0.758 41 G HN 0.634 nan 8.290 nan 0.000 0.559 42 A N 1.008 123.841 122.820 0.022 0.000 2.070 42 A HA 0.045 4.366 4.320 0.001 0.000 0.220 42 A C 2.200 179.783 177.584 -0.003 0.000 1.159 42 A CA 1.282 53.325 52.037 0.009 0.000 0.656 42 A CB -0.382 18.625 19.000 0.012 0.000 0.800 42 A HN 0.878 nan 8.150 nan 0.000 0.453 43 I N -4.652 115.917 120.570 -0.002 0.000 3.904 43 I HA 0.216 4.386 4.170 0.001 0.000 0.333 43 I C 0.085 176.186 176.117 -0.027 0.000 1.361 43 I CA -0.073 61.217 61.300 -0.017 0.000 1.116 43 I CB -0.385 37.607 38.000 -0.014 0.000 1.028 43 I HN 0.260 nan 8.210 nan 0.000 0.398 44 Q N 1.561 121.349 119.800 -0.020 0.000 2.439 44 Q HA -0.127 4.213 4.340 0.001 0.000 0.325 44 Q C -1.953 174.021 176.000 -0.043 0.000 1.372 44 Q CA -0.052 55.734 55.803 -0.027 0.000 0.909 44 Q CB -1.394 27.325 28.738 -0.031 0.000 1.167 44 Q HN 0.520 nan 8.270 nan 0.000 0.418 45 P HA -0.082 nan 4.420 nan 0.000 0.267 45 P C 0.497 177.779 177.300 -0.029 0.000 1.209 45 P CA 0.297 63.373 63.100 -0.041 0.000 0.763 45 P CB 0.842 32.557 31.700 0.026 0.000 0.816 46 E N 2.465 122.611 120.200 -0.091 0.000 2.160 46 E HA -0.122 4.229 4.350 0.001 0.000 0.195 46 E C 0.303 176.986 176.600 0.139 0.000 0.991 46 E CA 1.534 57.941 56.400 0.011 0.000 0.810 46 E CB 0.017 29.722 29.700 0.009 0.000 0.742 46 E HN 0.591 nan 8.360 nan 0.000 0.466 47 K N -0.369 120.180 120.400 0.247 0.000 2.502 47 K HA 0.420 4.740 4.320 0.001 0.000 0.257 47 K C -1.021 175.678 176.600 0.166 0.000 0.938 47 K CA -0.336 56.080 56.287 0.215 0.000 0.819 47 K CB 2.465 35.126 32.500 0.269 0.000 1.333 47 K HN -0.235 nan 8.250 nan 0.000 0.434 48 T N 1.332 115.926 114.554 0.066 0.000 2.881 48 T HA 0.373 4.723 4.350 0.001 0.000 0.291 48 T C -1.089 173.601 174.700 -0.017 0.000 0.990 48 T CA -0.636 61.485 62.100 0.035 0.000 0.976 48 T CB 1.249 70.098 68.868 -0.032 0.000 0.970 48 T HN 0.200 nan 8.240 nan 0.000 0.438 49 V N 3.380 123.306 119.914 0.021 0.000 2.444 49 V HA 0.544 4.665 4.120 0.001 0.000 0.294 49 V C 0.085 176.174 176.094 -0.009 0.000 1.022 49 V CA -0.826 61.461 62.300 -0.021 0.000 0.850 49 V CB 1.870 33.709 31.823 0.028 0.000 0.992 49 V HN 0.921 nan 8.190 nan 0.000 0.426 50 T N 4.119 118.610 114.554 -0.106 0.000 2.771 50 T HA 0.516 4.866 4.350 0.001 0.000 0.281 50 T C -0.175 174.589 174.700 0.107 0.000 0.982 50 T CA -0.373 61.721 62.100 -0.011 0.000 0.978 50 T CB 1.611 70.434 68.868 -0.075 0.000 0.930 50 T HN 0.367 nan 8.240 nan 0.000 0.447 51 V N 4.438 124.423 119.914 0.118 0.000 2.364 51 V HA 0.465 4.585 4.120 0.001 0.000 0.272 51 V C 0.205 176.389 176.094 0.149 0.000 1.036 51 V CA -0.512 61.862 62.300 0.123 0.000 0.880 51 V CB 1.298 33.158 31.823 0.062 0.000 0.991 51 V HN 0.674 nan 8.190 nan 0.000 0.460 52 V N 4.813 124.832 119.914 0.175 0.000 2.919 52 V HA 0.947 5.067 4.120 0.001 0.000 0.316 52 V C 0.615 176.763 176.094 0.090 0.000 1.077 52 V CA 0.504 62.884 62.300 0.133 0.000 0.977 52 V CB 2.075 33.975 31.823 0.130 0.000 1.039 52 V HN 0.827 nan 8.190 nan 0.000 0.441 53 G N 2.741 111.592 108.800 0.086 0.000 3.198 53 G HA2 0.262 4.222 3.960 0.001 0.000 0.203 53 G HA3 0.262 4.222 3.960 0.001 0.000 0.203 53 G C 0.254 175.221 174.900 0.111 0.000 1.950 53 G CA 0.279 45.453 45.100 0.123 0.000 0.798 53 G HN 1.015 nan 8.290 nan 0.000 0.720 54 H N 0.411 119.494 119.070 0.023 0.000 2.679 54 H HA 0.251 4.807 4.556 0.001 0.000 0.369 54 H C 0.115 175.447 175.328 0.006 0.000 1.178 54 H CA 0.681 56.738 56.048 0.014 0.000 1.419 54 H CB 0.622 30.394 29.762 0.016 0.000 1.458 54 H HN 0.523 nan 8.280 nan 0.000 0.605 55 K N -0.061 120.272 120.400 -0.112 0.000 3.104 55 K HA -0.281 4.039 4.320 0.001 0.000 0.285 55 K C 1.423 177.920 176.600 -0.171 0.000 1.136 55 K CA 0.699 56.883 56.287 -0.171 0.000 0.842 55 K CB -1.598 30.735 32.500 -0.279 0.000 1.217 55 K HN 0.765 nan 8.250 nan 0.000 0.467 56 A N 1.920 124.665 122.820 -0.127 0.000 1.954 56 A HA -0.326 3.995 4.320 0.001 0.000 0.222 56 A C 2.200 179.685 177.584 -0.165 0.000 1.199 56 A CA 2.305 54.272 52.037 -0.118 0.000 0.657 56 A CB -0.386 18.577 19.000 -0.063 0.000 0.823 56 A HN 0.655 nan 8.150 nan 0.000 0.463 57 E N -0.054 120.067 120.200 -0.133 0.000 2.058 57 E HA -0.239 4.111 4.350 0.001 0.000 0.194 57 E C 1.959 178.469 176.600 -0.149 0.000 0.997 57 E CA 1.541 57.858 56.400 -0.139 0.000 0.801 57 E CB -1.024 28.622 29.700 -0.090 0.000 0.746 57 E HN 0.504 nan 8.360 nan 0.000 0.450 58 L N 1.768 122.916 121.223 -0.124 0.000 1.990 58 L HA -0.182 4.158 4.340 0.001 0.000 0.213 58 L C 2.577 179.381 176.870 -0.110 0.000 1.072 58 L CA 1.593 56.368 54.840 -0.108 0.000 0.755 58 L CB -0.749 41.248 42.059 -0.103 0.000 0.889 58 L HN 0.023 nan 8.230 nan 0.000 0.432 59 V N -0.473 119.365 119.914 -0.127 0.000 2.332 59 V HA -0.303 3.817 4.120 0.001 0.000 0.248 59 V C 2.564 178.589 176.094 -0.117 0.000 1.055 59 V CA 2.062 64.314 62.300 -0.080 0.000 1.038 59 V CB -0.762 31.037 31.823 -0.041 0.000 0.651 59 V HN 0.586 nan 8.190 nan 0.000 0.450 60 E N 0.187 120.181 120.200 -0.342 0.000 2.028 60 E HA -0.234 4.117 4.350 0.001 0.000 0.190 60 E C 2.337 178.812 176.600 -0.209 0.000 0.984 60 E CA 0.976 57.046 56.400 -0.549 0.000 0.800 60 E CB -0.221 28.985 29.700 -0.823 0.000 0.758 60 E HN 0.618 nan 8.360 nan 0.000 0.448 61 E N 0.209 120.312 120.200 -0.162 0.000 2.393 61 E HA -0.183 4.167 4.350 0.001 0.000 0.201 61 E C 1.421 177.997 176.600 -0.041 0.000 1.025 61 E CA 0.874 57.222 56.400 -0.086 0.000 0.856 61 E CB 0.296 29.950 29.700 -0.076 0.000 0.771 61 E HN 0.165 nan 8.360 nan 0.000 0.526 62 V N 0.725 120.624 119.914 -0.026 0.000 2.785 62 V HA -0.035 4.086 4.120 0.001 0.000 0.226 62 V C 1.361 177.488 176.094 0.056 0.000 1.127 62 V CA 0.657 62.964 62.300 0.011 0.000 1.193 62 V CB -0.244 31.585 31.823 0.010 0.000 0.926 62 V HN 0.299 nan 8.190 nan 0.000 0.507 63 L N 0.538 121.830 121.223 0.115 0.000 2.422 63 L HA 0.670 5.011 4.340 0.001 0.000 0.256 63 L C 0.765 177.787 176.870 0.253 0.000 1.202 63 L CA -0.266 54.687 54.840 0.188 0.000 1.119 63 L CB 0.027 42.257 42.059 0.285 0.000 1.383 63 L HN 0.161 nan 8.230 nan 0.000 0.411 64 A N 1.997 124.915 122.820 0.165 0.000 2.281 64 A HA 0.385 4.705 4.320 0.001 0.000 0.231 64 A C 1.360 179.013 177.584 0.115 0.000 1.317 64 A CA 0.226 52.385 52.037 0.203 0.000 0.959 64 A CB -0.995 18.067 19.000 0.103 0.000 0.900 64 A HN 0.774 nan 8.150 nan 0.000 0.497 65 G N -0.272 108.556 108.800 0.047 0.000 2.825 65 G HA2 0.209 4.170 3.960 0.001 0.000 0.241 65 G HA3 0.209 4.170 3.960 0.001 0.000 0.241 65 G C 0.199 174.963 174.900 -0.228 0.000 1.239 65 G CA -0.466 44.558 45.100 -0.127 0.000 0.859 65 G HN 0.760 nan 8.290 nan 0.000 0.598 66 Q N -0.454 119.195 119.800 -0.252 0.000 2.364 66 Q HA 0.331 4.672 4.340 0.001 0.000 0.263 66 Q C 0.091 175.884 176.000 -0.346 0.000 1.276 66 Q CA 0.428 56.095 55.803 -0.226 0.000 0.923 66 Q CB -0.272 28.365 28.738 -0.168 0.000 1.477 66 Q HN 0.421 nan 8.270 nan 0.000 0.484 67 T N 0.886 115.254 114.554 -0.309 0.000 3.343 67 T HA 0.070 4.420 4.350 0.001 0.000 0.383 67 T C -1.160 173.330 174.700 -0.351 0.000 1.615 67 T CA -0.871 61.000 62.100 -0.382 0.000 1.153 67 T CB 1.120 69.608 68.868 -0.633 0.000 1.434 67 T HN 0.497 nan 8.240 nan 0.000 0.476 68 E N 2.186 122.245 120.200 -0.236 0.000 2.408 68 E HA 0.371 4.721 4.350 0.001 0.000 0.259 68 E C -0.903 175.557 176.600 -0.234 0.000 1.110 68 E CA 0.073 56.399 56.400 -0.123 0.000 0.929 68 E CB 0.515 30.185 29.700 -0.050 0.000 0.971 68 E HN 0.490 nan 8.360 nan 0.000 0.438 69 F N 0.341 120.308 119.950 0.028 0.000 2.612 69 F HA 0.173 4.700 4.527 0.001 0.000 0.332 69 F C -0.198 175.616 175.800 0.023 0.000 1.167 69 F CA -0.868 57.154 58.000 0.037 0.000 0.970 69 F CB 1.509 40.530 39.000 0.035 0.000 1.234 69 F HN 0.091 nan 8.300 nan 0.000 0.453 70 V N -0.055 120.001 119.914 0.237 0.000 2.769 70 V HA 0.836 4.956 4.120 0.001 0.000 0.312 70 V C -0.273 175.897 176.094 0.127 0.000 1.058 70 V CA -0.544 61.835 62.300 0.131 0.000 0.952 70 V CB 1.641 33.504 31.823 0.067 0.000 1.019 70 V HN 0.617 nan 8.190 nan 0.000 0.445 71 T N 3.497 118.095 114.554 0.073 0.000 2.823 71 T HA 0.441 4.791 4.350 0.001 0.000 0.279 71 T C -0.549 174.171 174.700 0.033 0.000 0.998 71 T CA -0.233 61.902 62.100 0.057 0.000 0.994 71 T CB 1.402 70.294 68.868 0.040 0.000 0.960 71 T HN 0.902 nan 8.240 nan 0.000 0.448 72 Q N 2.088 121.913 119.800 0.041 0.000 2.462 72 Q HA 0.278 4.618 4.340 0.001 0.000 0.247 72 Q C 0.934 176.984 176.000 0.083 0.000 1.044 72 Q CA -0.490 55.337 55.803 0.040 0.000 0.803 72 Q CB 0.589 29.343 28.738 0.026 0.000 1.190 72 Q HN 0.847 nan 8.270 nan 0.000 0.507 73 S N 2.509 118.263 115.700 0.090 0.000 2.453 73 S HA 0.016 4.486 4.470 0.001 0.000 0.231 73 S C 0.187 174.838 174.600 0.085 0.000 1.005 73 S CA 0.407 58.657 58.200 0.083 0.000 0.949 73 S CB 0.186 63.426 63.200 0.068 0.000 0.774 73 S HN 0.643 nan 8.310 nan 0.000 0.510 74 E N 0.647 120.917 120.200 0.116 0.000 2.256 74 E HA 0.303 4.653 4.350 0.001 0.000 0.267 74 E C -1.157 175.488 176.600 0.075 0.000 0.892 74 E CA -0.584 55.858 56.400 0.070 0.000 0.775 74 E CB 1.335 31.048 29.700 0.021 0.000 1.207 74 E HN 0.273 nan 8.360 nan 0.000 0.420 75 Q N 1.986 121.801 119.800 0.026 0.000 2.837 75 Q HA 0.115 4.456 4.340 0.001 0.000 0.235 75 Q C -0.066 175.915 176.000 -0.031 0.000 1.348 75 Q CA -0.067 55.748 55.803 0.020 0.000 0.990 75 Q CB 0.089 28.833 28.738 0.011 0.000 1.570 75 Q HN 0.215 nan 8.270 nan 0.000 0.575 76 L N 0.889 122.073 121.223 -0.065 0.000 2.741 76 L HA 0.302 4.643 4.340 0.001 0.000 0.237 76 L C 0.701 177.416 176.870 -0.259 0.000 1.178 76 L CA 0.264 54.975 54.840 -0.214 0.000 0.973 76 L CB 0.271 41.993 42.059 -0.562 0.000 1.255 76 L HN 0.621 nan 8.230 nan 0.000 0.498 77 G N -1.244 107.461 108.800 -0.158 0.000 2.663 77 G HA2 -0.248 3.713 3.960 0.001 0.000 0.686 77 G HA3 -0.248 3.713 3.960 0.001 0.000 0.686 77 G C 0.732 175.530 174.900 -0.169 0.000 1.288 77 G CA -0.169 44.800 45.100 -0.218 0.000 0.836 77 G HN 0.177 nan 8.290 nan 0.000 0.584 78 T N -1.651 112.874 114.554 -0.047 0.000 2.759 78 T HA 0.041 4.391 4.350 0.001 0.000 0.269 78 T C 2.623 177.212 174.700 -0.186 0.000 1.042 78 T CA 2.278 64.352 62.100 -0.043 0.000 1.140 78 T CB -0.601 68.311 68.868 0.072 0.000 0.864 78 T HN 1.945 nan 8.240 nan 0.000 0.455 79 G N 0.655 109.254 108.800 -0.335 0.000 2.421 79 G HA2 -0.287 3.673 3.960 0.001 0.000 0.216 79 G HA3 -0.287 3.673 3.960 0.001 0.000 0.216 79 G C 1.505 175.990 174.900 -0.692 0.000 1.171 79 G CA 0.884 45.696 45.100 -0.481 0.000 0.775 79 G HN 0.706 nan 8.290 nan 0.000 0.543 80 H N 0.954 119.360 119.070 -1.107 0.000 2.423 80 H HA 0.063 4.620 4.556 0.001 0.000 0.297 80 H C 2.730 177.888 175.328 -0.282 0.000 1.075 80 H CA 1.151 56.747 56.048 -0.753 0.000 1.342 80 H CB 0.057 29.455 29.762 -0.607 0.000 1.395 80 H HN 0.318 nan 8.280 nan 0.000 0.530 81 A N 0.521 123.176 122.820 -0.276 0.000 1.902 81 A HA -0.098 4.222 4.320 0.001 0.000 0.217 81 A C 2.736 180.234 177.584 -0.142 0.000 1.181 81 A CA 1.502 53.430 52.037 -0.182 0.000 0.623 81 A CB -0.790 18.167 19.000 -0.071 0.000 0.818 81 A HN 0.296 nan 8.150 nan 0.000 0.443 82 V N -0.659 119.172 119.914 -0.139 0.000 2.358 82 V HA -0.249 3.872 4.120 0.001 0.000 0.246 82 V C 2.516 178.608 176.094 -0.003 0.000 1.047 82 V CA 2.097 64.347 62.300 -0.084 0.000 1.035 82 V CB -0.706 31.010 31.823 -0.179 0.000 0.658 82 V HN 0.621 nan 8.190 nan 0.000 0.452 83 M N -0.193 119.377 119.600 -0.050 0.000 2.260 83 M HA -0.151 4.330 4.480 0.001 0.000 0.261 83 M C 1.837 178.157 176.300 0.033 0.000 1.066 83 M CA 1.808 57.158 55.300 0.082 0.000 1.082 83 M CB -0.529 32.140 32.600 0.116 0.000 1.388 83 M HN 0.166 nan 8.290 nan 0.000 0.419 84 M N -0.750 118.795 119.600 -0.091 0.000 2.549 84 M HA -0.019 4.462 4.480 0.001 0.000 0.260 84 M C 1.736 178.035 176.300 -0.002 0.000 1.076 84 M CA 1.582 56.833 55.300 -0.083 0.000 1.090 84 M CB -1.937 30.583 32.600 -0.133 0.000 1.418 84 M HN 0.542 nan 8.290 nan 0.000 0.486 85 T N -3.310 111.287 114.554 0.073 0.000 3.107 85 T HA 0.057 4.407 4.350 0.001 0.000 0.249 85 T C 1.484 176.179 174.700 -0.007 0.000 1.096 85 T CA 0.113 62.263 62.100 0.084 0.000 1.012 85 T CB 0.132 69.103 68.868 0.172 0.000 0.977 85 T HN 0.335 nan 8.240 nan 0.000 0.527 86 E N 2.280 122.455 120.200 -0.042 0.000 2.049 86 E HA -0.127 4.223 4.350 0.001 0.000 0.198 86 E C -0.754 175.595 176.600 -0.418 0.000 1.007 86 E CA 1.731 57.851 56.400 -0.467 0.000 0.809 86 E CB -1.066 28.522 29.700 -0.188 0.000 0.749 86 E HN 0.394 nan 8.360 nan 0.000 0.450 87 P HA -0.160 nan 4.420 nan 0.000 0.217 87 P C 1.360 178.552 177.300 -0.181 0.000 1.151 87 P CA 1.542 64.544 63.100 -0.163 0.000 0.849 87 P CB -0.086 31.560 31.700 -0.090 0.000 0.787 88 I N -2.670 117.794 120.570 -0.177 0.000 2.852 88 I HA -0.035 4.136 4.170 0.001 0.000 0.264 88 I C 1.774 177.754 176.117 -0.229 0.000 1.179 88 I CA 0.903 62.110 61.300 -0.155 0.000 1.480 88 I CB -0.120 37.829 38.000 -0.085 0.000 1.111 88 I HN -0.112 nan 8.210 nan 0.000 0.441 89 L N -0.156 120.859 121.223 -0.347 0.000 2.731 89 L HA 0.205 4.546 4.340 0.001 0.000 0.240 89 L C 1.044 177.570 176.870 -0.573 0.000 1.120 89 L CA -0.044 54.550 54.840 -0.411 0.000 0.913 89 L CB 0.198 42.172 42.059 -0.143 0.000 1.213 89 L HN 0.158 nan 8.230 nan 0.000 0.515 90 E N 1.083 120.818 120.200 -0.774 0.000 2.384 90 E HA 0.208 4.559 4.350 0.001 0.000 0.266 90 E C 1.016 177.433 176.600 -0.305 0.000 1.012 90 E CA 1.040 57.047 56.400 -0.656 0.000 0.901 90 E CB 0.733 30.090 29.700 -0.572 0.000 0.967 90 E HN 0.292 nan 8.360 nan 0.000 0.435 91 G N 4.268 112.966 108.800 -0.171 0.000 2.659 91 G HA2 -0.284 3.677 3.960 0.001 0.000 0.212 91 G HA3 -0.284 3.677 3.960 0.001 0.000 0.212 91 G C 0.348 175.207 174.900 -0.069 0.000 1.226 91 G CA 0.043 45.085 45.100 -0.096 0.000 0.739 91 G HN 0.543 nan 8.290 nan 0.000 0.528 92 L N 1.861 123.004 121.223 -0.134 0.000 2.543 92 L HA 0.417 4.758 4.340 0.001 0.000 0.285 92 L C 1.070 177.940 176.870 -0.001 0.000 1.236 92 L CA 0.713 55.484 54.840 -0.115 0.000 0.871 92 L CB 0.863 42.680 42.059 -0.403 0.000 1.121 92 L HN 0.431 nan 8.230 nan 0.000 0.501 93 S N 1.122 116.893 115.700 0.118 0.000 2.565 93 S HA 0.893 5.364 4.470 0.001 0.000 0.290 93 S C -0.097 174.672 174.600 0.282 0.000 1.150 93 S CA 0.299 58.586 58.200 0.144 0.000 1.058 93 S CB 1.648 64.900 63.200 0.086 0.000 1.032 93 S HN 1.024 nan 8.310 nan 0.000 0.510 94 G N 2.417 111.301 108.800 0.140 0.000 2.357 94 G HA2 0.190 4.150 3.960 0.001 0.000 0.289 94 G HA3 0.190 4.150 3.960 0.001 0.000 0.289 94 G C -2.061 172.732 174.900 -0.178 0.000 1.302 94 G CA -0.962 44.121 45.100 -0.029 0.000 0.936 94 G HN 0.895 nan 8.290 nan 0.000 0.513 95 H N -0.208 118.985 119.070 0.205 0.000 2.488 95 H HA 0.678 5.235 4.556 0.001 0.000 0.322 95 H C -0.095 175.361 175.328 0.213 0.000 1.078 95 H CA -0.043 56.122 56.048 0.195 0.000 1.260 95 H CB 1.600 31.447 29.762 0.141 0.000 1.425 95 H HN 0.459 nan 8.280 nan 0.000 0.471 96 T N 3.913 118.658 114.554 0.318 0.000 2.786 96 T HA 0.264 4.614 4.350 0.001 0.000 0.283 96 T C -0.307 174.535 174.700 0.236 0.000 0.992 96 T CA -0.762 61.535 62.100 0.328 0.000 0.954 96 T CB 0.979 70.053 68.868 0.344 0.000 0.934 96 T HN 0.289 nan 8.240 nan 0.000 0.440 97 L N 4.856 126.196 121.223 0.195 0.000 2.305 97 L HA 0.643 4.984 4.340 0.001 0.000 0.281 97 L C -0.861 176.123 176.870 0.191 0.000 1.085 97 L CA -0.167 54.760 54.840 0.145 0.000 0.813 97 L CB 0.810 42.929 42.059 0.100 0.000 1.157 97 L HN 0.439 nan 8.230 nan 0.000 0.436 98 V N 7.455 127.505 119.914 0.227 0.000 2.376 98 V HA 0.509 4.630 4.120 0.001 0.000 0.287 98 V C -0.232 175.992 176.094 0.217 0.000 1.015 98 V CA -0.351 62.109 62.300 0.267 0.000 0.834 98 V CB 1.238 33.318 31.823 0.427 0.000 1.001 98 V HN 0.746 nan 8.190 nan 0.000 0.428 99 I N 3.371 124.025 120.570 0.141 0.000 2.769 99 I HA 0.857 5.028 4.170 0.001 0.000 0.298 99 I C 0.144 176.299 176.117 0.064 0.000 1.128 99 I CA -0.591 60.757 61.300 0.081 0.000 1.031 99 I CB 2.164 40.193 38.000 0.048 0.000 1.235 99 I HN 0.648 nan 8.210 nan 0.000 0.423 100 A N 3.670 126.511 122.820 0.036 0.000 2.302 100 A HA 0.551 4.871 4.320 0.001 0.000 0.285 100 A C 0.923 178.500 177.584 -0.011 0.000 1.105 100 A CA 0.101 52.152 52.037 0.023 0.000 0.816 100 A CB 0.803 19.813 19.000 0.018 0.000 1.067 100 A HN 0.977 nan 8.150 nan 0.000 0.489 101 G N -0.220 108.566 108.800 -0.023 0.000 2.920 101 G HA2 0.064 4.025 3.960 0.001 0.000 0.208 101 G HA3 0.064 4.025 3.960 0.001 0.000 0.208 101 G C 0.339 175.212 174.900 -0.044 0.000 1.159 101 G CA 0.953 46.013 45.100 -0.068 0.000 0.784 101 G HN 0.815 nan 8.290 nan 0.000 0.535 102 D N -0.092 120.293 120.400 -0.024 0.000 2.368 102 D HA 0.004 4.644 4.640 0.001 0.000 0.218 102 D C 0.909 177.187 176.300 -0.037 0.000 1.112 102 D CA 0.013 54.001 54.000 -0.021 0.000 0.834 102 D CB -0.409 40.383 40.800 -0.013 0.000 0.953 102 D HN 0.129 nan 8.370 nan 0.000 0.505 103 T N -1.276 113.252 114.554 -0.043 0.000 3.332 103 T HA 0.335 4.686 4.350 0.001 0.000 0.385 103 T C -1.870 172.795 174.700 -0.059 0.000 1.695 103 T CA -1.382 60.681 62.100 -0.062 0.000 1.397 103 T CB 1.584 70.412 68.868 -0.068 0.000 1.100 103 T HN -0.160 nan 8.240 nan 0.000 0.669 104 P HA 0.136 nan 4.420 nan 0.000 0.241 104 P C 1.149 178.375 177.300 -0.123 0.000 1.191 104 P CA 0.089 63.151 63.100 -0.064 0.000 0.771 104 P CB 0.224 31.881 31.700 -0.073 0.000 0.929 105 L N -0.952 120.196 121.223 -0.125 0.000 2.446 105 L HA 0.147 4.487 4.340 0.001 0.000 0.219 105 L C 1.528 178.340 176.870 -0.096 0.000 1.116 105 L CA -0.102 54.659 54.840 -0.131 0.000 0.844 105 L CB -0.440 41.538 42.059 -0.136 0.000 0.970 105 L HN -0.159 nan 8.230 nan 0.000 0.457 106 I N 0.911 121.433 120.570 -0.079 0.000 2.815 106 I HA -0.052 4.118 4.170 0.001 0.000 0.291 106 I C 0.976 177.075 176.117 -0.032 0.000 1.209 106 I CA 0.273 61.537 61.300 -0.060 0.000 1.431 106 I CB 0.677 38.645 38.000 -0.053 0.000 1.351 106 I HN 0.191 nan 8.210 nan 0.000 0.585 107 T N 1.638 116.178 114.554 -0.023 0.000 2.927 107 T HA 0.361 4.711 4.350 0.001 0.000 0.281 107 T C 1.186 175.891 174.700 0.008 0.000 0.998 107 T CA -0.339 61.758 62.100 -0.005 0.000 1.019 107 T CB 1.713 70.575 68.868 -0.010 0.000 1.061 107 T HN 0.725 nan 8.240 nan 0.000 0.518 108 G N 0.084 108.893 108.800 0.015 0.000 2.422 108 G HA2 -0.151 3.809 3.960 0.001 0.000 0.218 108 G HA3 -0.151 3.809 3.960 0.001 0.000 0.218 108 G C 1.298 176.202 174.900 0.007 0.000 1.146 108 G CA 0.728 45.837 45.100 0.016 0.000 0.769 108 G HN 0.785 nan 8.290 nan 0.000 0.547 109 E N 0.758 120.962 120.200 0.007 0.000 2.077 109 E HA -0.056 4.294 4.350 0.001 0.000 0.193 109 E C 2.815 179.424 176.600 0.015 0.000 0.989 109 E CA 1.232 57.636 56.400 0.006 0.000 0.800 109 E CB -0.282 29.422 29.700 0.008 0.000 0.746 109 E HN 0.303 nan 8.360 nan 0.000 0.452 110 S N -0.291 115.427 115.700 0.030 0.000 2.383 110 S HA -0.098 4.372 4.470 0.001 0.000 0.227 110 S C 1.594 176.221 174.600 0.046 0.000 1.026 110 S CA 0.629 58.874 58.200 0.074 0.000 0.981 110 S CB -0.203 63.032 63.200 0.058 0.000 0.818 110 S HN 0.159 nan 8.310 nan 0.000 0.472 111 L N 1.602 122.833 121.223 0.014 0.000 2.083 111 L HA 0.000 4.341 4.340 0.001 0.000 0.209 111 L C 2.132 178.982 176.870 -0.032 0.000 1.083 111 L CA 1.691 56.529 54.840 -0.003 0.000 0.752 111 L CB -0.716 41.346 42.059 0.005 0.000 0.899 111 L HN 0.162 nan 8.230 nan 0.000 0.433 112 K N -0.601 119.778 120.400 -0.035 0.000 2.026 112 K HA -0.128 4.193 4.320 0.001 0.000 0.208 112 K C 1.864 178.401 176.600 -0.106 0.000 1.048 112 K CA 1.670 57.924 56.287 -0.055 0.000 0.929 112 K CB -0.195 32.282 32.500 -0.039 0.000 0.713 112 K HN 0.424 nan 8.250 nan 0.000 0.439 113 N N 0.499 119.112 118.700 -0.144 0.000 2.205 113 N HA -0.178 4.562 4.740 0.001 0.000 0.186 113 N C 1.609 176.788 175.510 -0.551 0.000 1.015 113 N CA 0.502 53.353 53.050 -0.331 0.000 0.862 113 N CB -0.031 38.247 38.487 -0.349 0.000 0.986 113 N HN 0.021 nan 8.380 nan 0.000 0.429 114 L N 1.456 122.469 121.223 -0.350 0.000 1.994 114 L HA -0.078 4.263 4.340 0.001 0.000 0.208 114 L C 1.844 178.666 176.870 -0.080 0.000 1.071 114 L CA 1.435 56.140 54.840 -0.226 0.000 0.745 114 L CB -0.470 41.563 42.059 -0.043 0.000 0.892 114 L HN 0.172 nan 8.230 nan 0.000 0.431 115 I N -0.427 120.105 120.570 -0.064 0.000 2.142 115 I HA -0.309 3.862 4.170 0.001 0.000 0.240 115 I C 2.116 178.224 176.117 -0.015 0.000 1.078 115 I CA 1.570 62.854 61.300 -0.026 0.000 1.343 115 I CB -0.617 37.344 38.000 -0.066 0.000 1.046 115 I HN 0.285 nan 8.210 nan 0.000 0.405 116 D N 0.736 121.099 120.400 -0.063 0.000 2.116 116 D HA -0.253 4.388 4.640 0.001 0.000 0.193 116 D C 1.931 178.229 176.300 -0.004 0.000 0.998 116 D CA 1.390 55.356 54.000 -0.057 0.000 0.836 116 D CB -0.469 40.289 40.800 -0.070 0.000 0.951 116 D HN 0.285 nan 8.370 nan 0.000 0.449 117 F N 0.151 119.995 119.950 -0.177 0.000 2.202 117 F HA -0.207 4.320 4.527 0.001 0.000 0.301 117 F C 2.298 178.059 175.800 -0.064 0.000 1.082 117 F CA 1.580 59.493 58.000 -0.145 0.000 1.313 117 F CB -0.075 38.741 39.000 -0.307 0.000 1.024 117 F HN 0.044 nan 8.300 nan 0.000 0.495 118 H N 0.256 119.366 119.070 0.068 0.000 2.260 118 H HA -0.093 4.463 4.556 0.001 0.000 0.304 118 H C 2.201 177.518 175.328 -0.018 0.000 1.059 118 H CA 2.685 58.754 56.048 0.035 0.000 1.305 118 H CB -0.630 29.166 29.762 0.058 0.000 1.388 118 H HN 0.253 nan 8.280 nan 0.000 0.496 119 I N 0.504 121.028 120.570 -0.077 0.000 2.236 119 I HA -0.362 3.809 4.170 0.001 0.000 0.249 119 I C 2.508 178.554 176.117 -0.118 0.000 1.102 119 I CA 1.687 62.888 61.300 -0.165 0.000 1.365 119 I CB -0.622 37.242 38.000 -0.228 0.000 1.051 119 I HN 0.487 nan 8.210 nan 0.000 0.420 120 N N 0.553 119.207 118.700 -0.077 0.000 2.000 120 N HA -0.241 4.499 4.740 0.001 0.000 0.198 120 N C 1.491 176.961 175.510 -0.067 0.000 1.057 120 N CA 1.641 54.658 53.050 -0.056 0.000 0.858 120 N CB -0.066 38.419 38.487 -0.003 0.000 1.057 120 N HN 0.374 nan 8.380 nan 0.000 0.423 121 H N 0.850 119.729 119.070 -0.318 0.000 2.556 121 H HA 0.166 4.722 4.556 0.001 0.000 0.273 121 H C 0.017 175.214 175.328 -0.219 0.000 1.030 121 H CA 0.316 56.203 56.048 -0.269 0.000 1.156 121 H CB -0.135 29.432 29.762 -0.325 0.000 1.326 121 H HN 0.269 nan 8.280 nan 0.000 0.609 122 K N 0.141 120.469 120.400 -0.119 0.000 2.948 122 K HA -0.287 4.033 4.320 0.001 0.000 0.253 122 K C -0.496 175.991 176.600 -0.188 0.000 0.970 122 K CA 0.589 56.785 56.287 -0.152 0.000 0.716 122 K CB -2.116 30.335 32.500 -0.081 0.000 1.249 122 K HN 0.612 nan 8.250 nan 0.000 0.483 123 N N -0.010 118.530 118.700 -0.267 0.000 2.381 123 N HA 0.023 4.764 4.740 0.001 0.000 0.241 123 N C 1.451 176.886 175.510 -0.124 0.000 1.279 123 N CA -0.094 52.864 53.050 -0.152 0.000 0.896 123 N CB 0.691 39.165 38.487 -0.021 0.000 1.118 123 N HN -0.097 nan 8.380 nan 0.000 0.438 124 V N 0.126 120.020 119.914 -0.035 0.000 2.500 124 V HA 0.106 4.226 4.120 0.001 0.000 0.243 124 V C 0.605 176.820 176.094 0.202 0.000 1.039 124 V CA 1.149 63.406 62.300 -0.072 0.000 1.053 124 V CB -0.435 31.088 31.823 -0.500 0.000 0.695 124 V HN 0.775 nan 8.190 nan 0.000 0.463 125 A N -0.743 122.216 122.820 0.233 0.000 2.449 125 A HA 0.731 5.051 4.320 0.001 0.000 0.302 125 A C -0.514 177.194 177.584 0.208 0.000 1.048 125 A CA -0.288 51.898 52.037 0.249 0.000 0.708 125 A CB 1.678 20.947 19.000 0.447 0.000 1.274 125 A HN 0.143 nan 8.150 nan 0.000 0.410 126 T N 2.267 116.844 114.554 0.038 0.000 2.841 126 T HA 0.536 4.886 4.350 0.001 0.000 0.285 126 T C -0.494 174.202 174.700 -0.007 0.000 0.991 126 T CA -0.043 62.127 62.100 0.117 0.000 0.966 126 T CB 0.727 69.740 68.868 0.241 0.000 0.962 126 T HN 0.459 nan 8.240 nan 0.000 0.438 127 I N 3.370 123.962 120.570 0.037 0.000 2.331 127 I HA 0.317 4.487 4.170 0.001 0.000 0.292 127 I C -0.307 175.737 176.117 -0.121 0.000 0.998 127 I CA -0.964 60.323 61.300 -0.021 0.000 1.267 127 I CB 1.321 39.349 38.000 0.048 0.000 1.386 127 I HN 0.359 nan 8.210 nan 0.000 0.476 128 L N 8.350 129.443 121.223 -0.216 0.000 2.325 128 L HA 0.337 4.677 4.340 0.001 0.000 0.284 128 L C 0.470 177.211 176.870 -0.214 0.000 1.089 128 L CA 0.559 55.285 54.840 -0.189 0.000 0.836 128 L CB 0.349 42.301 42.059 -0.179 0.000 1.184 128 L HN 0.775 nan 8.230 nan 0.000 0.444 129 T N 2.332 116.755 114.554 -0.218 0.000 2.841 129 T HA 1.006 5.357 4.350 0.001 0.000 0.276 129 T C -0.317 174.271 174.700 -0.186 0.000 1.003 129 T CA -0.279 61.712 62.100 -0.180 0.000 0.995 129 T CB 1.766 70.541 68.868 -0.155 0.000 1.260 129 T HN 0.979 nan 8.240 nan 0.000 0.581 130 A N -0.024 122.724 122.820 -0.120 0.000 2.586 130 A HA 0.707 5.027 4.320 0.001 0.000 0.290 130 A C -1.567 175.981 177.584 -0.060 0.000 1.086 130 A CA -0.990 51.013 52.037 -0.057 0.000 0.665 130 A CB 1.089 20.133 19.000 0.074 0.000 1.279 130 A HN 0.865 nan 8.150 nan 0.000 0.423 131 E N -0.128 120.027 120.200 -0.075 0.000 2.238 131 E HA 0.678 5.028 4.350 0.001 0.000 0.267 131 E C -0.985 175.340 176.600 -0.459 0.000 0.887 131 E CA -0.619 55.648 56.400 -0.222 0.000 0.769 131 E CB 2.333 31.928 29.700 -0.174 0.000 1.187 131 E HN 0.668 nan 8.360 nan 0.000 0.416 132 T N 0.358 114.540 114.554 -0.620 0.000 2.853 132 T HA 0.145 4.496 4.350 0.001 0.000 0.311 132 T C -0.819 173.608 174.700 -0.456 0.000 1.307 132 T CA -0.619 61.000 62.100 -0.801 0.000 1.019 132 T CB 1.322 69.238 68.868 -1.586 0.000 1.264 132 T HN 0.273 nan 8.240 nan 0.000 0.497 133 D N 2.013 122.208 120.400 -0.342 0.000 2.340 133 D HA 0.153 4.794 4.640 0.001 0.000 0.220 133 D C -0.120 176.089 176.300 -0.151 0.000 1.039 133 D CA 0.440 54.319 54.000 -0.202 0.000 0.866 133 D CB 0.113 40.828 40.800 -0.142 0.000 0.913 133 D HN 0.487 nan 8.370 nan 0.000 0.523 134 N N 0.724 119.315 118.700 -0.181 0.000 2.723 134 N HA 0.120 4.860 4.740 0.001 0.000 0.290 134 N C -2.072 173.432 175.510 -0.011 0.000 1.882 134 N CA -0.842 52.179 53.050 -0.048 0.000 0.851 134 N CB 1.500 39.989 38.487 0.004 0.000 1.234 134 N HN -0.034 nan 8.380 nan 0.000 0.491 135 P HA -0.089 nan 4.420 nan 0.000 0.242 135 P C -0.053 177.377 177.300 0.217 0.000 1.197 135 P CA -0.081 63.001 63.100 -0.030 0.000 0.765 135 P CB -0.035 31.600 31.700 -0.108 0.000 0.936 136 F N 2.204 122.212 119.950 0.097 0.000 2.612 136 F HA 0.287 4.815 4.527 0.001 0.000 0.389 136 F C 1.527 177.412 175.800 0.141 0.000 1.055 136 F CA 1.728 59.783 58.000 0.092 0.000 1.232 136 F CB -0.132 38.896 39.000 0.046 0.000 1.044 136 F HN 0.287 nan 8.300 nan 0.000 0.560 137 G N 3.851 112.198 108.800 -0.756 0.000 2.284 137 G HA2 -0.304 3.656 3.960 0.001 0.000 0.230 137 G HA3 -0.304 3.656 3.960 0.001 0.000 0.230 137 G C -0.101 174.609 174.900 -0.317 0.000 1.021 137 G CA 0.025 44.705 45.100 -0.699 0.000 0.619 137 G HN 0.697 nan 8.290 nan 0.000 0.510 138 Y N 1.458 121.646 120.300 -0.187 0.000 2.307 138 Y HA 0.531 5.081 4.550 0.001 0.000 0.324 138 Y C 1.417 177.264 175.900 -0.089 0.000 1.238 138 Y CA 0.008 58.049 58.100 -0.100 0.000 1.280 138 Y CB 0.815 39.255 38.460 -0.033 0.000 1.248 138 Y HN 0.335 nan 8.280 nan 0.000 0.508 139 G N 2.818 111.684 108.800 0.110 0.000 2.406 139 G HA2 0.303 4.263 3.960 0.001 0.000 0.251 139 G HA3 0.303 4.263 3.960 0.001 0.000 0.251 139 G C -0.177 174.758 174.900 0.058 0.000 1.271 139 G CA -0.786 44.345 45.100 0.053 0.000 0.859 139 G HN 0.379 nan 8.290 nan 0.000 0.540 140 R N 0.952 121.465 120.500 0.022 0.000 2.532 140 R HA 0.330 4.670 4.340 0.001 0.000 0.272 140 R C -0.218 176.080 176.300 -0.003 0.000 1.032 140 R CA -0.886 55.211 56.100 -0.006 0.000 1.089 140 R CB 1.454 31.735 30.300 -0.033 0.000 1.098 140 R HN 0.283 nan 8.270 nan 0.000 0.526 141 I N 2.757 123.313 120.570 -0.023 0.000 2.307 141 I HA 0.182 4.353 4.170 0.001 0.000 0.289 141 I C 0.095 176.202 176.117 -0.017 0.000 1.021 141 I CA -0.776 60.518 61.300 -0.010 0.000 1.224 141 I CB 1.069 39.055 38.000 -0.023 0.000 1.376 141 I HN 0.111 nan 8.210 nan 0.000 0.470 142 V N 8.190 128.107 119.914 0.004 0.000 2.432 142 V HA 0.441 4.562 4.120 0.001 0.000 0.275 142 V C 0.471 176.583 176.094 0.030 0.000 1.043 142 V CA -0.594 61.711 62.300 0.007 0.000 0.925 142 V CB 1.030 32.866 31.823 0.022 0.000 0.985 142 V HN 0.664 nan 8.190 nan 0.000 0.466 143 R N 2.941 123.458 120.500 0.028 0.000 2.807 143 R HA 0.505 4.846 4.340 0.001 0.000 0.276 143 R C -0.568 175.765 176.300 0.055 0.000 0.979 143 R CA -0.901 55.225 56.100 0.044 0.000 0.928 143 R CB 1.745 32.068 30.300 0.038 0.000 1.191 143 R HN 0.866 nan 8.270 nan 0.000 0.471 144 N N -0.511 118.225 118.700 0.060 0.000 2.463 144 N HA 0.005 4.745 4.740 0.001 0.000 0.270 144 N C 0.030 175.575 175.510 0.059 0.000 1.205 144 N CA -0.605 52.482 53.050 0.062 0.000 0.974 144 N CB 0.435 38.957 38.487 0.058 0.000 1.197 144 N HN 0.584 nan 8.380 nan 0.000 0.504 145 D N -1.469 118.966 120.400 0.058 0.000 2.332 145 D HA -0.290 4.351 4.640 0.001 0.000 0.209 145 D C 0.408 176.735 176.300 0.045 0.000 0.988 145 D CA 1.254 55.285 54.000 0.052 0.000 0.912 145 D CB -0.353 40.474 40.800 0.045 0.000 0.899 145 D HN 0.638 nan 8.370 nan 0.000 0.477 146 N N -0.018 118.709 118.700 0.046 0.000 2.251 146 N HA 0.173 4.914 4.740 0.001 0.000 0.217 146 N C -0.104 175.438 175.510 0.053 0.000 1.124 146 N CA 0.564 53.641 53.050 0.045 0.000 0.843 146 N CB 0.187 38.699 38.487 0.042 0.000 1.024 146 N HN 0.217 nan 8.380 nan 0.000 0.501 147 A N 1.025 123.878 122.820 0.055 0.000 2.519 147 A HA -0.218 4.103 4.320 0.001 0.000 0.297 147 A C -0.510 177.120 177.584 0.076 0.000 1.472 147 A CA 0.969 53.042 52.037 0.060 0.000 0.739 147 A CB -1.912 17.124 19.000 0.059 0.000 1.096 147 A HN 0.568 nan 8.150 nan 0.000 0.414 148 E N -0.617 119.627 120.200 0.073 0.000 2.222 148 E HA 0.509 4.860 4.350 0.001 0.000 0.267 148 E C -0.197 176.452 176.600 0.081 0.000 0.884 148 E CA -1.124 55.327 56.400 0.085 0.000 0.764 148 E CB 2.132 31.879 29.700 0.077 0.000 1.169 148 E HN 0.303 nan 8.360 nan 0.000 0.413 149 V N 4.601 124.571 119.914 0.093 0.000 2.409 149 V HA -0.075 4.046 4.120 0.001 0.000 0.270 149 V C 0.747 176.897 176.094 0.094 0.000 1.019 149 V CA 0.322 62.675 62.300 0.089 0.000 1.066 149 V CB -0.139 31.746 31.823 0.103 0.000 1.021 149 V HN 0.678 nan 8.190 nan 0.000 0.476 150 L N 5.242 126.514 121.223 0.082 0.000 2.084 150 L HA 0.220 4.561 4.340 0.001 0.000 0.202 150 L C 1.184 178.111 176.870 0.095 0.000 1.074 150 L CA 1.383 56.274 54.840 0.085 0.000 0.757 150 L CB -0.599 41.504 42.059 0.073 0.000 0.918 150 L HN 0.892 nan 8.230 nan 0.000 0.444 151 R N -2.172 118.378 120.500 0.084 0.000 2.764 151 R HA 0.528 4.868 4.340 0.001 0.000 0.276 151 R C -1.438 174.907 176.300 0.074 0.000 1.021 151 R CA -0.810 55.342 56.100 0.087 0.000 0.870 151 R CB 0.821 31.166 30.300 0.074 0.000 1.293 151 R HN -0.144 nan 8.270 nan 0.000 0.469 152 I N 1.196 121.811 120.570 0.076 0.000 2.441 152 I HA 0.480 4.651 4.170 0.001 0.000 0.295 152 I C -0.782 175.363 176.117 0.046 0.000 0.994 152 I CA -1.344 59.996 61.300 0.067 0.000 1.144 152 I CB 2.297 40.356 38.000 0.099 0.000 1.314 152 I HN 0.252 nan 8.210 nan 0.000 0.445 153 V N 5.378 125.310 119.914 0.029 0.000 2.444 153 V HA 0.308 4.429 4.120 0.001 0.000 0.294 153 V C 0.050 176.147 176.094 0.004 0.000 1.022 153 V CA -0.853 61.456 62.300 0.016 0.000 0.850 153 V CB 1.553 33.383 31.823 0.011 0.000 0.992 153 V HN 0.598 nan 8.190 nan 0.000 0.426 154 E N 2.280 122.474 120.200 -0.010 0.000 2.410 154 E HA 0.056 4.406 4.350 0.001 0.000 0.255 154 E C 0.888 177.467 176.600 -0.035 0.000 1.194 154 E CA -0.147 56.232 56.400 -0.035 0.000 0.955 154 E CB 0.799 30.460 29.700 -0.065 0.000 0.988 154 E HN 0.698 nan 8.360 nan 0.000 0.461 155 Q N 1.610 121.369 119.800 -0.069 0.000 2.079 155 Q HA -0.178 4.162 4.340 0.001 0.000 0.200 155 Q C 1.752 177.741 176.000 -0.019 0.000 0.974 155 Q CA 2.241 58.006 55.803 -0.063 0.000 0.840 155 Q CB -0.064 28.557 28.738 -0.194 0.000 0.898 155 Q HN 0.528 nan 8.270 nan 0.000 0.430 156 K N -0.871 119.508 120.400 -0.036 0.000 2.283 156 K HA -0.130 4.190 4.320 0.001 0.000 0.202 156 K C 0.481 177.085 176.600 0.007 0.000 1.048 156 K CA 1.596 57.879 56.287 -0.007 0.000 0.948 156 K CB 0.076 32.562 32.500 -0.023 0.000 0.742 156 K HN 0.210 nan 8.250 nan 0.000 0.458 157 D N 1.008 121.409 120.400 0.002 0.000 2.389 157 D HA 0.114 4.755 4.640 0.001 0.000 0.206 157 D C 0.243 176.556 176.300 0.022 0.000 1.055 157 D CA 0.141 54.149 54.000 0.013 0.000 0.856 157 D CB 0.467 41.272 40.800 0.009 0.000 0.957 157 D HN 0.314 nan 8.370 nan 0.000 0.509 158 A N 1.837 124.669 122.820 0.020 0.000 2.540 158 A HA 0.274 4.595 4.320 0.001 0.000 0.239 158 A C 0.984 178.592 177.584 0.039 0.000 1.061 158 A CA 0.034 52.085 52.037 0.023 0.000 0.758 158 A CB -0.028 18.982 19.000 0.016 0.000 0.991 158 A HN 0.157 nan 8.150 nan 0.000 0.502 159 T N 0.278 114.861 114.554 0.049 0.000 2.868 159 T HA 0.223 4.574 4.350 0.001 0.000 0.292 159 T C 0.576 175.324 174.700 0.080 0.000 1.028 159 T CA -0.082 62.064 62.100 0.077 0.000 1.059 159 T CB 0.710 69.648 68.868 0.118 0.000 0.991 159 T HN 0.568 nan 8.240 nan 0.000 0.531 160 D N 0.102 120.560 120.400 0.097 0.000 2.116 160 D HA -0.131 4.510 4.640 0.001 0.000 0.193 160 D C 1.448 177.821 176.300 0.122 0.000 0.998 160 D CA 1.237 55.294 54.000 0.095 0.000 0.836 160 D CB -0.346 40.511 40.800 0.095 0.000 0.951 160 D HN 0.603 nan 8.370 nan 0.000 0.449 161 F N 1.861 121.821 119.950 0.016 0.000 2.202 161 F HA -0.134 4.393 4.527 0.001 0.000 0.301 161 F C 2.036 177.845 175.800 0.015 0.000 1.082 161 F CA 1.286 59.294 58.000 0.013 0.000 1.313 161 F CB -0.151 38.856 39.000 0.012 0.000 1.024 161 F HN -0.052 nan 8.300 nan 0.000 0.495 162 E N -0.221 119.878 120.200 -0.168 0.000 2.216 162 E HA -0.135 4.216 4.350 0.001 0.000 0.192 162 E C 1.928 178.426 176.600 -0.171 0.000 0.988 162 E CA 0.610 56.860 56.400 -0.249 0.000 0.834 162 E CB -0.079 29.568 29.700 -0.088 0.000 0.772 162 E HN 0.420 nan 8.360 nan 0.000 0.479 163 K N 0.607 120.960 120.400 -0.079 0.000 2.360 163 K HA -0.108 4.212 4.320 0.001 0.000 0.201 163 K C 1.983 178.545 176.600 -0.063 0.000 1.046 163 K CA 0.629 56.900 56.287 -0.027 0.000 0.945 163 K CB 0.111 32.632 32.500 0.035 0.000 0.750 163 K HN 0.030 nan 8.250 nan 0.000 0.464 164 Q N 0.613 120.335 119.800 -0.131 0.000 2.224 164 Q HA -0.003 4.338 4.340 0.001 0.000 0.203 164 Q C 0.684 176.592 176.000 -0.153 0.000 0.970 164 Q CA 0.655 56.379 55.803 -0.132 0.000 0.865 164 Q CB -0.114 28.534 28.738 -0.151 0.000 0.922 164 Q HN 0.391 nan 8.270 nan 0.000 0.445 165 I N 1.957 122.410 120.570 -0.196 0.000 2.741 165 I HA -0.140 4.030 4.170 0.001 0.000 0.288 165 I C 1.145 177.182 176.117 -0.133 0.000 1.192 165 I CA 0.270 61.471 61.300 -0.166 0.000 1.426 165 I CB 0.387 38.291 38.000 -0.160 0.000 1.367 165 I HN -0.161 nan 8.210 nan 0.000 0.563 166 K N 3.661 123.977 120.400 -0.139 0.000 2.379 166 K HA 0.048 4.369 4.320 0.001 0.000 0.194 166 K C 0.448 176.931 176.600 -0.195 0.000 1.031 166 K CA 0.220 56.405 56.287 -0.170 0.000 1.037 166 K CB 0.116 32.515 32.500 -0.167 0.000 0.824 166 K HN 0.521 nan 8.250 nan 0.000 0.516 167 E N 1.476 121.585 120.200 -0.151 0.000 2.223 167 E HA 0.184 4.534 4.350 0.001 0.000 0.282 167 E C -0.643 175.882 176.600 -0.125 0.000 1.046 167 E CA -0.582 55.734 56.400 -0.140 0.000 0.857 167 E CB 0.406 30.041 29.700 -0.108 0.000 1.055 167 E HN 0.099 nan 8.360 nan 0.000 0.409 168 I N 1.446 121.933 120.570 -0.139 0.000 3.023 168 I HA 0.467 4.637 4.170 0.001 0.000 0.312 168 I C -0.579 175.515 176.117 -0.038 0.000 1.056 168 I CA -1.217 60.026 61.300 -0.094 0.000 1.033 168 I CB 1.342 39.197 38.000 -0.241 0.000 1.233 168 I HN 0.329 nan 8.210 nan 0.000 0.462 169 N N 1.151 119.873 118.700 0.036 0.000 2.422 169 N HA 0.242 4.982 4.740 0.001 0.000 0.264 169 N C 0.755 176.278 175.510 0.020 0.000 1.063 169 N CA 0.290 53.347 53.050 0.011 0.000 0.959 169 N CB 0.979 39.505 38.487 0.065 0.000 1.087 169 N HN 0.873 nan 8.380 nan 0.000 0.483 170 T N 0.602 115.097 114.554 -0.098 0.000 3.088 170 T HA 0.187 4.538 4.350 0.001 0.000 0.259 170 T C 1.236 175.850 174.700 -0.143 0.000 1.122 170 T CA 0.438 62.483 62.100 -0.091 0.000 1.095 170 T CB -0.466 68.312 68.868 -0.150 0.000 0.930 170 T HN 0.748 nan 8.240 nan 0.000 0.508 171 G N 0.682 109.314 108.800 -0.280 0.000 2.132 171 G HA2 -0.195 3.766 3.960 0.001 0.000 0.234 171 G HA3 -0.195 3.766 3.960 0.001 0.000 0.234 171 G C 0.056 174.681 174.900 -0.457 0.000 0.989 171 G CA 0.126 45.069 45.100 -0.261 0.000 0.676 171 G HN 0.771 nan 8.290 nan 0.000 0.522 172 T N 0.095 114.223 114.554 -0.710 0.000 2.829 172 T HA 0.731 5.081 4.350 0.001 0.000 0.280 172 T C -0.795 173.476 174.700 -0.715 0.000 0.999 172 T CA -0.218 61.621 62.100 -0.434 0.000 0.983 172 T CB 1.698 70.430 68.868 -0.227 0.000 0.968 172 T HN 0.359 nan 8.240 nan 0.000 0.446 173 Y N -0.232 120.028 120.300 -0.066 0.000 2.625 173 Y HA 0.660 5.211 4.550 0.001 0.000 0.338 173 Y C -0.740 174.989 175.900 -0.284 0.000 1.123 173 Y CA -1.407 56.548 58.100 -0.241 0.000 1.046 173 Y CB 1.362 39.547 38.460 -0.459 0.000 1.299 173 Y HN 0.327 nan 8.280 nan 0.000 0.464 174 V N 2.478 122.212 119.914 -0.301 0.000 2.483 174 V HA 0.525 4.646 4.120 0.001 0.000 0.297 174 V C -1.184 174.571 176.094 -0.566 0.000 1.027 174 V CA -0.896 61.192 62.300 -0.352 0.000 0.855 174 V CB 1.147 32.700 31.823 -0.449 0.000 0.995 174 V HN 0.584 nan 8.190 nan 0.000 0.424 175 F N 1.261 121.179 119.950 -0.052 0.000 2.561 175 F HA 0.532 5.059 4.527 0.001 0.000 0.321 175 F C 0.251 176.118 175.800 0.113 0.000 1.065 175 F CA -0.967 57.074 58.000 0.068 0.000 0.934 175 F CB 1.571 40.621 39.000 0.084 0.000 1.215 175 F HN 0.367 nan 8.300 nan 0.000 0.471 176 D N 1.537 122.169 120.400 0.386 0.000 2.339 176 D HA 0.033 4.674 4.640 0.001 0.000 0.256 176 D C 0.945 177.377 176.300 0.220 0.000 1.214 176 D CA 0.324 54.471 54.000 0.246 0.000 0.877 176 D CB 0.758 41.655 40.800 0.162 0.000 1.111 176 D HN 0.514 nan 8.370 nan 0.000 0.478 177 N N 2.648 121.474 118.700 0.210 0.000 2.132 177 N HA -0.242 4.498 4.740 0.001 0.000 0.191 177 N C 1.287 176.927 175.510 0.216 0.000 1.015 177 N CA 1.514 54.694 53.050 0.217 0.000 0.864 177 N CB 0.265 38.901 38.487 0.248 0.000 1.006 177 N HN 0.457 nan 8.380 nan 0.000 0.430 178 E N -0.439 119.860 120.200 0.164 0.000 2.007 178 E HA -0.139 4.211 4.350 0.001 0.000 0.194 178 E C 2.074 178.766 176.600 0.154 0.000 0.999 178 E CA 0.847 57.334 56.400 0.146 0.000 0.811 178 E CB 0.023 29.778 29.700 0.092 0.000 0.762 178 E HN 0.262 nan 8.360 nan 0.000 0.450 179 R N 0.475 121.061 120.500 0.144 0.000 2.105 179 R HA -0.165 4.175 4.340 0.001 0.000 0.239 179 R C 2.499 178.924 176.300 0.209 0.000 1.135 179 R CA 0.661 56.873 56.100 0.187 0.000 0.967 179 R CB -0.833 29.564 30.300 0.161 0.000 0.861 179 R HN 0.209 nan 8.270 nan 0.000 0.442 180 L N 0.455 121.759 121.223 0.133 0.000 1.963 180 L HA -0.199 4.142 4.340 0.001 0.000 0.220 180 L C 2.004 178.700 176.870 -0.289 0.000 1.076 180 L CA 1.938 56.675 54.840 -0.173 0.000 0.772 180 L CB -0.872 40.956 42.059 -0.385 0.000 0.892 180 L HN -0.004 nan 8.230 nan 0.000 0.435 181 F N -0.024 119.901 119.950 -0.041 0.000 2.293 181 F HA -0.112 4.415 4.527 0.001 0.000 0.300 181 F C 2.528 178.313 175.800 -0.024 0.000 1.086 181 F CA 1.428 59.401 58.000 -0.046 0.000 1.375 181 F CB -0.513 38.462 39.000 -0.042 0.000 1.045 181 F HN 0.310 nan 8.300 nan 0.000 0.516 182 E N 0.222 120.511 120.200 0.149 0.000 2.015 182 E HA -0.184 4.166 4.350 0.001 0.000 0.191 182 E C 2.416 179.046 176.600 0.050 0.000 0.991 182 E CA 1.003 57.465 56.400 0.103 0.000 0.802 182 E CB -0.227 29.541 29.700 0.113 0.000 0.759 182 E HN 0.272 nan 8.360 nan 0.000 0.447 183 A N 0.512 123.347 122.820 0.025 0.000 2.070 183 A HA -0.152 4.169 4.320 0.001 0.000 0.220 183 A C 1.982 179.504 177.584 -0.104 0.000 1.159 183 A CA 0.851 52.850 52.037 -0.063 0.000 0.656 183 A CB -0.331 18.553 19.000 -0.193 0.000 0.800 183 A HN 0.250 nan 8.150 nan 0.000 0.453 184 L N -0.747 120.425 121.223 -0.085 0.000 2.217 184 L HA -0.025 4.316 4.340 0.001 0.000 0.211 184 L C 2.144 179.012 176.870 -0.002 0.000 1.107 184 L CA 1.526 56.349 54.840 -0.028 0.000 0.783 184 L CB -0.221 41.823 42.059 -0.024 0.000 0.919 184 L HN 0.201 nan 8.230 nan 0.000 0.442 185 K N -1.032 119.368 120.400 0.000 0.000 2.137 185 K HA -0.016 4.305 4.320 0.001 0.000 0.202 185 K C 1.785 178.339 176.600 -0.076 0.000 1.052 185 K CA 0.599 56.869 56.287 -0.028 0.000 0.961 185 K CB -0.409 32.098 32.500 0.011 0.000 0.741 185 K HN 0.194 nan 8.250 nan 0.000 0.452 186 N N 1.625 120.292 118.700 -0.056 0.000 2.223 186 N HA -0.074 4.666 4.740 0.001 0.000 0.185 186 N C 1.612 177.063 175.510 -0.099 0.000 1.016 186 N CA 0.939 53.953 53.050 -0.060 0.000 0.863 186 N CB 0.001 38.469 38.487 -0.032 0.000 0.983 186 N HN 0.168 nan 8.380 nan 0.000 0.429 187 I N -0.528 119.960 120.570 -0.136 0.000 2.494 187 I HA -0.094 4.077 4.170 0.001 0.000 0.250 187 I C 1.996 177.918 176.117 -0.324 0.000 1.112 187 I CA 0.370 61.566 61.300 -0.174 0.000 1.438 187 I CB -0.388 37.538 38.000 -0.124 0.000 1.111 187 I HN 0.095 nan 8.210 nan 0.000 0.431 188 N N 1.083 119.481 118.700 -0.503 0.000 2.061 188 N HA -0.191 4.549 4.740 0.001 0.000 0.193 188 N C 1.719 177.000 175.510 -0.382 0.000 1.030 188 N CA 2.474 55.077 53.050 -0.746 0.000 0.856 188 N CB -0.241 37.871 38.487 -0.626 0.000 1.023 188 N HN 0.194 nan 8.380 nan 0.000 0.424 189 T N 0.157 114.576 114.554 -0.226 0.000 2.809 189 T HA 0.043 4.393 4.350 0.001 0.000 0.260 189 T C 1.067 175.697 174.700 -0.116 0.000 1.039 189 T CA 0.894 62.910 62.100 -0.139 0.000 1.141 189 T CB -0.215 68.599 68.868 -0.090 0.000 0.869 189 T HN 0.295 nan 8.240 nan 0.000 0.437 190 N N 1.833 120.468 118.700 -0.108 0.000 2.362 190 N HA 0.093 4.834 4.740 0.001 0.000 0.204 190 N C 1.150 176.609 175.510 -0.084 0.000 1.166 190 N CA -0.021 52.982 53.050 -0.078 0.000 0.831 190 N CB -0.112 38.340 38.487 -0.057 0.000 1.008 190 N HN 0.257 nan 8.380 nan 0.000 0.472 191 N N 1.742 120.368 118.700 -0.124 0.000 2.223 191 N HA -0.128 4.613 4.740 0.001 0.000 0.185 191 N C 0.723 176.194 175.510 -0.066 0.000 1.016 191 N CA 1.040 54.021 53.050 -0.116 0.000 0.863 191 N CB -0.087 38.284 38.487 -0.194 0.000 0.983 191 N HN 0.230 nan 8.380 nan 0.000 0.429 192 A N -1.246 121.538 122.820 -0.060 0.000 2.771 192 A HA -0.258 4.062 4.320 0.001 0.000 0.294 192 A C 0.290 177.857 177.584 -0.028 0.000 1.500 192 A CA 1.705 53.719 52.037 -0.037 0.000 0.829 192 A CB -1.944 17.041 19.000 -0.025 0.000 0.998 192 A HN 0.637 nan 8.150 nan 0.000 0.526 193 Q N -3.654 116.123 119.800 -0.038 0.000 2.804 193 Q HA 0.479 4.820 4.340 0.001 0.000 0.302 193 Q C 0.974 176.953 176.000 -0.036 0.000 0.885 193 Q CA -0.090 55.700 55.803 -0.022 0.000 0.759 193 Q CB 0.467 29.206 28.738 0.001 0.000 1.465 193 Q HN 0.733 nan 8.270 nan 0.000 0.432 194 G N 0.507 109.293 108.800 -0.023 0.000 2.518 194 G HA2 -0.042 3.918 3.960 0.001 0.000 0.213 194 G HA3 -0.042 3.918 3.960 0.001 0.000 0.213 194 G C -0.016 174.884 174.900 0.001 0.000 1.226 194 G CA 0.386 45.467 45.100 -0.031 0.000 0.822 194 G HN 0.622 nan 8.290 nan 0.000 0.546 195 E N 0.927 121.103 120.200 -0.039 0.000 2.289 195 E HA 0.282 4.633 4.350 0.001 0.000 0.278 195 E C -1.250 175.214 176.600 -0.225 0.000 1.032 195 E CA -0.679 55.636 56.400 -0.142 0.000 0.854 195 E CB 0.981 30.531 29.700 -0.249 0.000 1.046 195 E HN 0.485 nan 8.360 nan 0.000 0.409 196 Y N 0.681 120.660 120.300 -0.534 0.000 2.524 196 Y HA 0.639 5.189 4.550 0.001 0.000 0.344 196 Y C -1.245 174.237 175.900 -0.697 0.000 1.012 196 Y CA -2.008 55.781 58.100 -0.519 0.000 1.068 196 Y CB 0.598 38.925 38.460 -0.220 0.000 1.249 196 Y HN 0.343 nan 8.280 nan 0.000 0.468 197 Y N 1.768 122.079 120.300 0.019 0.000 2.509 197 Y HA 0.399 4.950 4.550 0.001 0.000 0.341 197 Y C 1.121 176.963 175.900 -0.096 0.000 1.038 197 Y CA -1.354 56.709 58.100 -0.061 0.000 1.089 197 Y CB 1.406 39.852 38.460 -0.025 0.000 1.241 197 Y HN 0.645 nan 8.280 nan 0.000 0.468 198 I N 1.453 122.033 120.570 0.017 0.000 2.315 198 I HA -0.261 3.909 4.170 0.001 0.000 0.251 198 I C 2.197 178.215 176.117 -0.165 0.000 1.125 198 I CA 2.396 63.605 61.300 -0.151 0.000 1.392 198 I CB -0.700 37.190 38.000 -0.183 0.000 1.065 198 I HN 0.879 nan 8.210 nan 0.000 0.424 199 T N -3.261 111.279 114.554 -0.025 0.000 3.072 199 T HA -0.091 4.259 4.350 0.001 0.000 0.266 199 T C 1.563 176.260 174.700 -0.005 0.000 1.127 199 T CA 1.044 63.142 62.100 -0.003 0.000 1.107 199 T CB -0.549 68.363 68.868 0.073 0.000 0.910 199 T HN 0.285 nan 8.240 nan 0.000 0.513 200 D N 1.106 121.512 120.400 0.010 0.000 2.224 200 D HA 0.010 4.650 4.640 0.001 0.000 0.205 200 D C 2.132 178.353 176.300 -0.132 0.000 0.965 200 D CA 0.423 54.419 54.000 -0.007 0.000 0.852 200 D CB -0.204 40.627 40.800 0.052 0.000 0.947 200 D HN 0.322 nan 8.370 nan 0.000 0.494 201 V N 1.369 121.140 119.914 -0.238 0.000 2.515 201 V HA -0.175 3.946 4.120 0.001 0.000 0.250 201 V C 2.258 177.994 176.094 -0.597 0.000 1.058 201 V CA 0.810 62.817 62.300 -0.489 0.000 1.064 201 V CB -0.157 31.282 31.823 -0.642 0.000 0.675 201 V HN 0.205 nan 8.190 nan 0.000 0.461 202 I N 1.082 121.516 120.570 -0.226 0.000 2.394 202 I HA -0.094 4.077 4.170 0.001 0.000 0.251 202 I C 2.578 178.676 176.117 -0.031 0.000 1.136 202 I CA 1.717 62.992 61.300 -0.042 0.000 1.425 202 I CB -1.865 36.201 38.000 0.109 0.000 1.079 202 I HN 0.371 nan 8.210 nan 0.000 0.425 203 G N 1.509 110.272 108.800 -0.061 0.000 2.408 203 G HA2 -0.167 3.794 3.960 0.001 0.000 0.217 203 G HA3 -0.167 3.794 3.960 0.001 0.000 0.217 203 G C 1.627 176.513 174.900 -0.022 0.000 1.150 203 G CA 0.223 45.314 45.100 -0.015 0.000 0.776 203 G HN 0.180 nan 8.290 nan 0.000 0.542 204 I N 0.672 121.171 120.570 -0.119 0.000 2.252 204 I HA -0.021 4.150 4.170 0.001 0.000 0.245 204 I C 2.377 178.552 176.117 0.096 0.000 1.102 204 I CA 0.610 61.865 61.300 -0.073 0.000 1.385 204 I CB -1.216 36.672 38.000 -0.187 0.000 1.064 204 I HN 0.059 nan 8.210 nan 0.000 0.414 205 F N 1.131 121.120 119.950 0.065 0.000 2.365 205 F HA -0.132 4.396 4.527 0.001 0.000 0.300 205 F C 2.621 178.461 175.800 0.067 0.000 1.090 205 F CA 0.728 58.773 58.000 0.075 0.000 1.408 205 F CB -1.105 37.959 39.000 0.107 0.000 1.060 205 F HN 0.088 nan 8.300 nan 0.000 0.534 206 R N 1.051 121.689 120.500 0.230 0.000 2.073 206 R HA -0.081 4.260 4.340 0.001 0.000 0.229 206 R C 1.902 178.272 176.300 0.117 0.000 1.120 206 R CA 1.550 57.740 56.100 0.151 0.000 0.967 206 R CB -0.706 29.660 30.300 0.110 0.000 0.862 206 R HN 0.283 nan 8.270 nan 0.000 0.436 207 E N -0.658 119.603 120.200 0.102 0.000 2.118 207 E HA -0.161 4.189 4.350 0.001 0.000 0.195 207 E C 1.339 177.991 176.600 0.087 0.000 0.992 207 E CA 1.868 58.315 56.400 0.078 0.000 0.804 207 E CB -0.049 29.687 29.700 0.060 0.000 0.741 207 E HN 0.626 nan 8.360 nan 0.000 0.458 208 T N -3.666 110.960 114.554 0.120 0.000 3.081 208 T HA 0.243 4.594 4.350 0.001 0.000 0.250 208 T C 1.494 176.250 174.700 0.093 0.000 1.100 208 T CA 0.482 62.648 62.100 0.109 0.000 1.038 208 T CB 0.691 69.643 68.868 0.139 0.000 0.962 208 T HN 0.265 nan 8.240 nan 0.000 0.516 209 G N 1.508 110.371 108.800 0.105 0.000 2.162 209 G HA2 -0.254 3.706 3.960 0.001 0.000 0.260 209 G HA3 -0.254 3.706 3.960 0.001 0.000 0.260 209 G C -0.229 174.709 174.900 0.063 0.000 0.976 209 G CA 0.142 45.291 45.100 0.081 0.000 0.655 209 G HN 0.684 nan 8.290 nan 0.000 0.533 210 E N 0.545 120.781 120.200 0.060 0.000 2.384 210 E HA 0.221 4.571 4.350 0.001 0.000 0.266 210 E C 0.656 177.241 176.600 -0.026 0.000 1.012 210 E CA -0.226 56.151 56.400 -0.038 0.000 0.901 210 E CB 0.705 30.286 29.700 -0.199 0.000 0.967 210 E HN 0.318 nan 8.360 nan 0.000 0.435 211 K N 2.660 123.039 120.400 -0.035 0.000 2.453 211 K HA 0.007 4.327 4.320 0.001 0.000 0.280 211 K C -0.598 176.019 176.600 0.028 0.000 1.045 211 K CA -0.075 56.215 56.287 0.006 0.000 1.059 211 K CB 0.133 32.631 32.500 -0.004 0.000 0.901 211 K HN 0.332 nan 8.250 nan 0.000 0.475 212 V N 1.348 121.320 119.914 0.097 0.000 2.531 212 V HA 0.824 4.944 4.120 0.001 0.000 0.301 212 V C 0.027 176.212 176.094 0.152 0.000 1.034 212 V CA -0.684 61.709 62.300 0.155 0.000 0.865 212 V CB 1.613 33.573 31.823 0.227 0.000 0.995 212 V HN 0.776 nan 8.190 nan 0.000 0.424 213 G N 2.397 111.304 108.800 0.180 0.000 2.630 213 G HA2 0.913 4.874 3.960 0.001 0.000 0.296 213 G HA3 0.913 4.874 3.960 0.001 0.000 0.296 213 G C -0.913 174.107 174.900 0.201 0.000 1.285 213 G CA -0.549 44.680 45.100 0.215 0.000 0.958 213 G HN 1.637 nan 8.290 nan 0.000 0.479 214 A N -0.323 122.585 122.820 0.147 0.000 2.359 214 A HA 0.623 4.943 4.320 0.001 0.000 0.303 214 A C -1.752 175.609 177.584 -0.373 0.000 1.066 214 A CA -0.589 51.417 52.037 -0.050 0.000 0.730 214 A CB 1.435 20.407 19.000 -0.047 0.000 1.211 214 A HN 0.975 nan 8.150 nan 0.000 0.439 215 Y N 2.274 122.168 120.300 -0.677 0.000 2.326 215 Y HA 0.562 5.113 4.550 0.001 0.000 0.337 215 Y C 0.087 175.704 175.900 -0.472 0.000 1.023 215 Y CA -0.420 57.087 58.100 -0.988 0.000 1.143 215 Y CB 1.252 39.175 38.460 -0.894 0.000 1.183 215 Y HN 0.615 nan 8.280 nan 0.000 0.485 216 T N 7.266 121.249 114.554 -0.951 0.000 2.837 216 T HA 0.415 4.765 4.350 0.001 0.000 0.285 216 T C -0.164 174.012 174.700 -0.875 0.000 0.984 216 T CA -0.664 61.021 62.100 -0.693 0.000 1.049 216 T CB 0.768 69.392 68.868 -0.406 0.000 0.947 216 T HN 0.568 nan 8.240 nan 0.000 0.472 217 L N 3.900 124.808 121.223 -0.526 0.000 2.281 217 L HA 0.265 4.605 4.340 0.001 0.000 0.285 217 L C 1.856 178.586 176.870 -0.233 0.000 1.074 217 L CA -0.562 54.059 54.840 -0.365 0.000 0.817 217 L CB 1.012 42.939 42.059 -0.220 0.000 1.168 217 L HN 0.818 nan 8.230 nan 0.000 0.434 218 K N 0.826 121.114 120.400 -0.187 0.000 2.209 218 K HA -0.119 4.202 4.320 0.001 0.000 0.204 218 K C 0.186 176.743 176.600 -0.071 0.000 1.048 218 K CA 0.947 57.165 56.287 -0.115 0.000 0.940 218 K CB 0.074 32.526 32.500 -0.080 0.000 0.729 218 K HN 0.383 nan 8.250 nan 0.000 0.451 219 D N 0.080 120.439 120.400 -0.068 0.000 2.427 219 D HA 0.064 4.704 4.640 0.001 0.000 0.226 219 D C 0.022 176.307 176.300 -0.025 0.000 1.076 219 D CA -0.930 53.047 54.000 -0.039 0.000 0.849 219 D CB 0.630 41.395 40.800 -0.059 0.000 1.052 219 D HN 0.107 nan 8.370 nan 0.000 0.515 220 F N 3.327 123.206 119.950 -0.119 0.000 2.216 220 F HA -0.134 4.393 4.527 0.001 0.000 0.300 220 F C 1.404 177.147 175.800 -0.096 0.000 1.085 220 F CA 1.415 59.340 58.000 -0.126 0.000 1.326 220 F CB 0.246 39.164 39.000 -0.138 0.000 1.027 220 F HN 0.341 nan 8.300 nan 0.000 0.497 221 D N 0.244 120.538 120.400 -0.178 0.000 2.310 221 D HA -0.187 4.453 4.640 0.001 0.000 0.212 221 D C 1.944 178.093 176.300 -0.252 0.000 0.965 221 D CA 0.986 54.841 54.000 -0.242 0.000 0.879 221 D CB -0.379 40.379 40.800 -0.070 0.000 0.921 221 D HN 0.579 nan 8.370 nan 0.000 0.510 222 E N 0.710 120.779 120.200 -0.218 0.000 2.347 222 E HA -0.095 4.255 4.350 0.001 0.000 0.196 222 E C 1.473 177.947 176.600 -0.210 0.000 1.008 222 E CA 0.509 56.803 56.400 -0.177 0.000 0.852 222 E CB 0.230 29.852 29.700 -0.131 0.000 0.783 222 E HN 0.147 nan 8.360 nan 0.000 0.505 223 S N 0.027 115.539 115.700 -0.313 0.000 2.575 223 S HA 0.037 4.508 4.470 0.001 0.000 0.215 223 S C 0.652 175.095 174.600 -0.262 0.000 0.966 223 S CA -0.548 57.481 58.200 -0.285 0.000 0.911 223 S CB -0.178 62.831 63.200 -0.318 0.000 0.780 223 S HN 0.215 nan 8.310 nan 0.000 0.514 224 L N 3.200 124.257 121.223 -0.276 0.000 2.667 224 L HA 0.322 4.663 4.340 0.001 0.000 0.278 224 L C 0.612 177.410 176.870 -0.120 0.000 1.217 224 L CA 0.678 55.403 54.840 -0.193 0.000 0.935 224 L CB -0.235 41.729 42.059 -0.159 0.000 1.193 224 L HN 0.316 nan 8.230 nan 0.000 0.493 225 G N 5.331 114.077 108.800 -0.091 0.000 2.319 225 G HA2 0.494 4.455 3.960 0.001 0.000 0.308 225 G HA3 0.494 4.455 3.960 0.001 0.000 0.308 225 G C -0.773 174.087 174.900 -0.066 0.000 1.117 225 G CA -0.578 44.478 45.100 -0.072 0.000 0.903 225 G HN 0.537 nan 8.290 nan 0.000 0.436 226 V N 3.648 123.528 119.914 -0.057 0.000 2.455 226 V HA 0.162 4.283 4.120 0.001 0.000 0.273 226 V C 0.362 176.424 176.094 -0.053 0.000 1.045 226 V CA -0.421 61.847 62.300 -0.054 0.000 0.976 226 V CB 1.214 33.008 31.823 -0.048 0.000 0.993 226 V HN 0.794 nan 8.190 nan 0.000 0.475 227 N N 2.354 121.018 118.700 -0.059 0.000 2.266 227 N HA 0.112 4.853 4.740 0.001 0.000 0.217 227 N C -0.127 175.344 175.510 -0.066 0.000 1.211 227 N CA 0.123 53.139 53.050 -0.058 0.000 0.881 227 N CB 1.138 39.590 38.487 -0.058 0.000 1.153 227 N HN 0.901 nan 8.380 nan 0.000 0.489 228 D N -1.543 118.815 120.400 -0.071 0.000 2.610 228 D HA 0.279 4.919 4.640 0.001 0.000 0.271 228 D C 0.402 176.651 176.300 -0.085 0.000 1.174 228 D CA -0.587 53.367 54.000 -0.077 0.000 0.949 228 D CB 0.929 41.698 40.800 -0.051 0.000 1.430 228 D HN -0.285 nan 8.370 nan 0.000 0.467 229 R N -0.304 120.145 120.500 -0.084 0.000 2.285 229 R HA 0.061 4.401 4.340 0.001 0.000 0.213 229 R C 1.563 177.839 176.300 -0.040 0.000 1.068 229 R CA 0.575 56.631 56.100 -0.072 0.000 1.004 229 R CB -0.309 29.953 30.300 -0.062 0.000 0.873 229 R HN 0.278 nan 8.270 nan 0.000 0.467 230 V N 0.340 120.235 119.914 -0.032 0.000 2.346 230 V HA -0.136 3.984 4.120 0.001 0.000 0.244 230 V C 2.327 178.410 176.094 -0.018 0.000 1.037 230 V CA 1.928 64.217 62.300 -0.017 0.000 1.029 230 V CB -0.513 31.304 31.823 -0.010 0.000 0.663 230 V HN 0.365 nan 8.190 nan 0.000 0.454 231 A N -0.471 122.332 122.820 -0.028 0.000 2.015 231 A HA -0.077 4.244 4.320 0.001 0.000 0.219 231 A C 2.245 179.808 177.584 -0.035 0.000 1.163 231 A CA 1.254 53.272 52.037 -0.031 0.000 0.646 231 A CB -0.462 18.514 19.000 -0.040 0.000 0.806 231 A HN 0.431 nan 8.150 nan 0.000 0.448 232 L N -0.485 120.714 121.223 -0.040 0.000 1.989 232 L HA -0.239 4.102 4.340 0.001 0.000 0.211 232 L C 2.890 179.752 176.870 -0.014 0.000 1.071 232 L CA 2.007 56.827 54.840 -0.033 0.000 0.749 232 L CB -0.738 41.293 42.059 -0.047 0.000 0.890 232 L HN 0.447 nan 8.230 nan 0.000 0.431 233 A N -1.082 121.733 122.820 -0.009 0.000 1.933 233 A HA -0.204 4.117 4.320 0.001 0.000 0.218 233 A C 2.168 179.755 177.584 0.005 0.000 1.175 233 A CA 2.222 54.262 52.037 0.005 0.000 0.628 233 A CB -0.866 18.138 19.000 0.007 0.000 0.814 233 A HN 0.506 nan 8.150 nan 0.000 0.444 234 T N 0.226 114.776 114.554 -0.007 0.000 2.777 234 T HA 0.011 4.361 4.350 0.001 0.000 0.266 234 T C 2.229 176.913 174.700 -0.027 0.000 1.040 234 T CA 1.441 63.533 62.100 -0.012 0.000 1.141 234 T CB -0.418 68.440 68.868 -0.016 0.000 0.868 234 T HN 0.600 nan 8.240 nan 0.000 0.444 235 A N 1.562 124.359 122.820 -0.038 0.000 1.877 235 A HA -0.155 4.166 4.320 0.001 0.000 0.216 235 A C 2.197 179.751 177.584 -0.049 0.000 1.186 235 A CA 2.103 54.103 52.037 -0.061 0.000 0.620 235 A CB -0.714 18.247 19.000 -0.065 0.000 0.822 235 A HN 0.507 nan 8.150 nan 0.000 0.443 236 E N 0.067 120.259 120.200 -0.014 0.000 2.085 236 E HA -0.180 4.171 4.350 0.001 0.000 0.194 236 E C 2.191 178.806 176.600 0.024 0.000 0.994 236 E CA 1.715 58.126 56.400 0.017 0.000 0.801 236 E CB -0.359 29.369 29.700 0.046 0.000 0.743 236 E HN 0.528 nan 8.360 nan 0.000 0.453 237 S N -1.121 114.590 115.700 0.020 0.000 2.368 237 S HA -0.119 4.352 4.470 0.001 0.000 0.225 237 S C 1.991 176.584 174.600 -0.012 0.000 1.030 237 S CA 1.346 59.557 58.200 0.020 0.000 0.999 237 S CB -0.369 62.842 63.200 0.019 0.000 0.844 237 S HN 0.205 nan 8.310 nan 0.000 0.459 238 V N 1.535 121.428 119.914 -0.035 0.000 2.307 238 V HA -0.102 4.018 4.120 0.001 0.000 0.245 238 V C 2.542 178.598 176.094 -0.064 0.000 1.045 238 V CA 2.087 64.353 62.300 -0.057 0.000 1.024 238 V CB -0.625 31.152 31.823 -0.076 0.000 0.651 238 V HN 0.528 nan 8.190 nan 0.000 0.449 239 M N 0.211 119.769 119.600 -0.071 0.000 2.159 239 M HA -0.128 4.352 4.480 0.001 0.000 0.263 239 M C 2.164 178.448 176.300 -0.027 0.000 1.063 239 M CA 1.775 57.030 55.300 -0.075 0.000 1.110 239 M CB -0.716 31.808 32.600 -0.125 0.000 1.374 239 M HN 0.235 nan 8.290 nan 0.000 0.411 240 R N -0.615 119.880 120.500 -0.007 0.000 2.081 240 R HA -0.165 4.176 4.340 0.001 0.000 0.235 240 R C 2.445 178.722 176.300 -0.039 0.000 1.131 240 R CA 1.849 57.952 56.100 0.004 0.000 0.960 240 R CB -0.362 29.951 30.300 0.021 0.000 0.856 240 R HN 0.420 nan 8.270 nan 0.000 0.436 241 R N 0.328 120.797 120.500 -0.051 0.000 2.075 241 R HA -0.117 4.224 4.340 0.001 0.000 0.232 241 R C 2.507 178.773 176.300 -0.056 0.000 1.126 241 R CA 1.602 57.660 56.100 -0.070 0.000 0.963 241 R CB -0.233 30.029 30.300 -0.063 0.000 0.858 241 R HN 0.189 nan 8.270 nan 0.000 0.435 242 R N 0.483 120.951 120.500 -0.053 0.000 2.073 242 R HA -0.120 4.221 4.340 0.001 0.000 0.234 242 R C 2.174 178.453 176.300 -0.035 0.000 1.134 242 R CA 1.754 57.828 56.100 -0.042 0.000 0.952 242 R CB -0.309 29.956 30.300 -0.058 0.000 0.850 242 R HN 0.267 nan 8.270 nan 0.000 0.433 243 I N 1.438 121.983 120.570 -0.041 0.000 2.142 243 I HA -0.294 3.877 4.170 0.001 0.000 0.240 243 I C 1.766 177.822 176.117 -0.101 0.000 1.078 243 I CA 1.330 62.595 61.300 -0.059 0.000 1.343 243 I CB -0.364 37.663 38.000 0.044 0.000 1.046 243 I HN 0.234 nan 8.210 nan 0.000 0.405 244 N N -0.198 118.456 118.700 -0.078 0.000 2.166 244 N HA -0.235 4.506 4.740 0.001 0.000 0.186 244 N C 1.779 177.064 175.510 -0.375 0.000 1.019 244 N CA 1.294 54.161 53.050 -0.305 0.000 0.856 244 N CB -0.625 37.554 38.487 -0.513 0.000 0.993 244 N HN 0.463 nan 8.380 nan 0.000 0.426 245 H N 1.391 120.296 119.070 -0.276 0.000 2.321 245 H HA -0.022 4.535 4.556 0.001 0.000 0.300 245 H C 2.045 177.275 175.328 -0.162 0.000 1.087 245 H CA 1.798 57.721 56.048 -0.209 0.000 1.319 245 H CB 0.096 29.770 29.762 -0.147 0.000 1.379 245 H HN -0.054 nan 8.280 nan 0.000 0.501 246 K N 0.067 120.386 120.400 -0.135 0.000 2.063 246 K HA -0.216 4.104 4.320 0.001 0.000 0.208 246 K C 1.855 178.329 176.600 -0.210 0.000 1.048 246 K CA 1.884 58.062 56.287 -0.182 0.000 0.928 246 K CB -0.452 31.929 32.500 -0.199 0.000 0.713 246 K HN 0.556 nan 8.250 nan 0.000 0.442 247 H N 0.513 119.560 119.070 -0.039 0.000 2.326 247 H HA -0.036 4.520 4.556 0.000 0.000 0.301 247 H C 2.337 177.687 175.328 0.037 0.000 1.081 247 H CA 1.683 57.768 56.048 0.062 0.000 1.334 247 H CB -0.251 29.671 29.762 0.268 0.000 1.385 247 H HN 0.244 nan 8.280 nan 0.000 0.504 248 M N 0.075 119.694 119.600 0.032 0.000 2.080 248 M HA -0.159 4.321 4.480 0.001 0.000 0.260 248 M C 2.544 178.793 176.300 -0.084 0.000 1.068 248 M CA 1.234 56.523 55.300 -0.019 0.000 1.109 248 M CB -0.341 32.153 32.600 -0.176 0.000 1.342 248 M HN 0.001 nan 8.290 nan 0.000 0.405 249 V N 0.574 120.359 119.914 -0.214 0.000 2.469 249 V HA -0.275 3.845 4.120 0.001 0.000 0.251 249 V C 1.751 177.809 176.094 -0.059 0.000 1.064 249 V CA 1.703 63.903 62.300 -0.167 0.000 1.066 249 V CB -0.964 30.734 31.823 -0.209 0.000 0.667 249 V HN 0.583 nan 8.190 nan 0.000 0.461 250 N N -0.205 118.484 118.700 -0.019 0.000 2.421 250 N HA 0.079 4.819 4.740 0.001 0.000 0.201 250 N C 1.253 176.790 175.510 0.046 0.000 1.198 250 N CA 0.623 53.688 53.050 0.026 0.000 0.838 250 N CB 0.251 38.774 38.487 0.060 0.000 1.011 250 N HN 0.579 nan 8.380 nan 0.000 0.463 251 G N 0.232 109.055 108.800 0.038 0.000 2.132 251 G HA2 -0.218 3.742 3.960 0.001 0.000 0.234 251 G HA3 -0.218 3.742 3.960 0.001 0.000 0.234 251 G C -0.237 174.699 174.900 0.059 0.000 0.989 251 G CA -0.041 45.083 45.100 0.039 0.000 0.676 251 G HN 0.179 nan 8.290 nan 0.000 0.522 252 V N 1.020 121.004 119.914 0.116 0.000 2.427 252 V HA 0.657 4.778 4.120 0.001 0.000 0.286 252 V C 0.703 176.919 176.094 0.203 0.000 1.034 252 V CA -0.314 62.059 62.300 0.122 0.000 0.893 252 V CB 1.796 33.713 31.823 0.157 0.000 0.982 252 V HN 0.307 nan 8.190 nan 0.000 0.452 253 S N 4.528 120.274 115.700 0.077 0.000 2.513 253 S HA 0.667 5.137 4.470 0.001 0.000 0.276 253 S C -0.795 173.836 174.600 0.052 0.000 1.254 253 S CA -0.161 58.103 58.200 0.108 0.000 1.053 253 S CB 0.241 63.455 63.200 0.023 0.000 0.958 253 S HN 0.436 nan 8.310 nan 0.000 0.491 254 F N 2.019 121.949 119.950 -0.033 0.000 2.493 254 F HA 0.351 4.878 4.527 0.000 0.000 0.329 254 F C 0.969 176.749 175.800 -0.033 0.000 1.126 254 F CA -0.868 57.108 58.000 -0.040 0.000 0.937 254 F CB 1.275 40.251 39.000 -0.041 0.000 1.146 254 F HN 0.330 nan 8.300 nan 0.000 0.442 255 V N 1.767 121.739 119.914 0.097 0.000 2.427 255 V HA -0.168 3.952 4.120 0.001 0.000 0.248 255 V C 0.477 176.619 176.094 0.080 0.000 1.051 255 V CA 1.568 63.906 62.300 0.063 0.000 1.048 255 V CB -0.479 31.357 31.823 0.022 0.000 0.666 255 V HN 0.730 nan 8.190 nan 0.000 0.456 256 N N -0.559 118.205 118.700 0.107 0.000 2.732 256 N HA 0.189 4.929 4.740 0.001 0.000 0.247 256 N C -2.131 173.430 175.510 0.085 0.000 1.305 256 N CA -1.403 51.691 53.050 0.074 0.000 0.762 256 N CB 1.602 40.113 38.487 0.041 0.000 1.361 256 N HN 0.004 nan 8.380 nan 0.000 0.545 257 P HA -0.055 nan 4.420 nan 0.000 0.228 257 P C 0.461 177.699 177.300 -0.104 0.000 1.151 257 P CA 0.858 63.919 63.100 -0.065 0.000 0.770 257 P CB 0.624 32.110 31.700 -0.357 0.000 0.786 258 E N -0.291 119.871 120.200 -0.063 0.000 2.435 258 E HA 0.105 4.456 4.350 0.001 0.000 0.195 258 E C 1.124 177.679 176.600 -0.075 0.000 1.029 258 E CA 0.361 56.727 56.400 -0.056 0.000 0.865 258 E CB 0.112 29.802 29.700 -0.017 0.000 0.833 258 E HN 0.228 nan 8.360 nan 0.000 0.510 259 A N 0.696 123.438 122.820 -0.129 0.000 2.795 259 A HA 0.297 4.618 4.320 0.001 0.000 0.282 259 A C -0.185 177.062 177.584 -0.561 0.000 0.964 259 A CA -0.343 51.577 52.037 -0.195 0.000 1.045 259 A CB 0.377 19.406 19.000 0.048 0.000 1.174 259 A HN -0.088 nan 8.150 nan 0.000 0.493 260 T N 0.525 114.608 114.554 -0.785 0.000 2.879 260 T HA 0.502 4.852 4.350 0.001 0.000 0.290 260 T C -1.325 172.889 174.700 -0.810 0.000 0.993 260 T CA -0.070 61.677 62.100 -0.588 0.000 0.975 260 T CB 0.572 69.441 68.868 0.002 0.000 0.981 260 T HN 0.236 nan 8.240 nan 0.000 0.439 261 Y N 3.168 123.495 120.300 0.046 0.000 2.491 261 Y HA 0.574 5.124 4.550 0.001 0.000 0.334 261 Y C 0.179 176.086 175.900 0.012 0.000 0.969 261 Y CA -1.082 57.032 58.100 0.023 0.000 1.241 261 Y CB 0.139 38.586 38.460 -0.022 0.000 1.105 261 Y HN 0.460 nan 8.280 nan 0.000 0.503 262 I N 3.690 124.326 120.570 0.110 0.000 2.382 262 I HA 0.235 4.405 4.170 0.001 0.000 0.286 262 I C -0.466 175.728 176.117 0.128 0.000 1.002 262 I CA -0.915 60.451 61.300 0.109 0.000 1.135 262 I CB 1.112 39.204 38.000 0.154 0.000 1.288 262 I HN 0.472 nan 8.210 nan 0.000 0.448 263 D N 3.966 124.424 120.400 0.098 0.000 2.390 263 D HA -0.032 4.608 4.640 0.001 0.000 0.236 263 D C 1.148 177.524 176.300 0.127 0.000 1.189 263 D CA 0.040 54.103 54.000 0.105 0.000 0.887 263 D CB 1.065 41.910 40.800 0.075 0.000 1.198 263 D HN 0.428 nan 8.370 nan 0.000 0.444 264 I N 1.044 121.691 120.570 0.128 0.000 2.236 264 I HA -0.283 3.888 4.170 0.001 0.000 0.249 264 I C 1.087 177.265 176.117 0.102 0.000 1.102 264 I CA 1.796 63.174 61.300 0.129 0.000 1.365 264 I CB 0.042 38.128 38.000 0.144 0.000 1.051 264 I HN 0.241 nan 8.210 nan 0.000 0.420 265 D N -0.199 120.250 120.400 0.083 0.000 2.340 265 D HA 0.166 4.806 4.640 0.001 0.000 0.217 265 D C 0.270 176.620 176.300 0.083 0.000 1.081 265 D CA 0.091 54.134 54.000 0.072 0.000 0.842 265 D CB 0.067 40.894 40.800 0.046 0.000 0.934 265 D HN 0.080 nan 8.370 nan 0.000 0.511 266 V N 1.538 121.516 119.914 0.107 0.000 2.655 266 V HA 0.020 4.140 4.120 0.001 0.000 0.300 266 V C 0.700 176.867 176.094 0.122 0.000 1.044 266 V CA 0.073 62.425 62.300 0.088 0.000 1.095 266 V CB 1.002 32.862 31.823 0.061 0.000 0.952 266 V HN -0.002 nan 8.190 nan 0.000 0.485 267 E N 4.932 125.173 120.200 0.069 0.000 2.183 267 E HA 0.647 4.998 4.350 0.001 0.000 0.271 267 E C -1.077 175.532 176.600 0.016 0.000 0.919 267 E CA -0.530 55.920 56.400 0.084 0.000 0.781 267 E CB 2.266 32.001 29.700 0.059 0.000 1.140 267 E HN 0.518 nan 8.360 nan 0.000 0.402 268 I N 2.085 122.665 120.570 0.018 0.000 2.478 268 I HA 0.374 4.545 4.170 0.001 0.000 0.287 268 I C -0.004 176.116 176.117 0.005 0.000 1.042 268 I CA -0.903 60.358 61.300 -0.064 0.000 1.067 268 I CB 1.795 39.634 38.000 -0.269 0.000 1.233 268 I HN 0.528 nan 8.210 nan 0.000 0.431 269 A N 7.564 130.378 122.820 -0.011 0.000 2.386 269 A HA 0.572 4.892 4.320 0.001 0.000 0.246 269 A C -2.461 175.126 177.584 0.005 0.000 1.089 269 A CA -0.885 51.154 52.037 0.004 0.000 0.790 269 A CB -0.362 18.634 19.000 -0.007 0.000 1.042 269 A HN 0.409 nan 8.150 nan 0.000 0.497 270 P HA 0.232 nan 4.420 nan 0.000 0.272 270 P C -0.056 177.243 177.300 -0.002 0.000 1.240 270 P CA 0.053 63.163 63.100 0.016 0.000 0.791 270 P CB 0.365 32.076 31.700 0.018 0.000 0.978 271 E N -3.074 117.125 120.200 -0.002 0.000 3.916 271 E HA -0.160 4.190 4.350 0.001 0.000 0.331 271 E C -0.271 176.308 176.600 -0.034 0.000 0.729 271 E CA 0.184 56.576 56.400 -0.014 0.000 1.222 271 E CB -1.746 27.947 29.700 -0.012 0.000 1.633 271 E HN 0.162 nan 8.360 nan 0.000 0.437 272 V N 1.045 120.929 119.914 -0.050 0.000 2.924 272 V HA 0.053 4.174 4.120 0.001 0.000 0.305 272 V C 0.608 176.634 176.094 -0.115 0.000 1.073 272 V CA 0.709 62.956 62.300 -0.088 0.000 1.098 272 V CB 1.402 33.154 31.823 -0.118 0.000 1.000 272 V HN 0.123 nan 8.190 nan 0.000 0.484 273 Q N 3.551 123.271 119.800 -0.132 0.000 2.325 273 Q HA 0.586 4.926 4.340 0.001 0.000 0.270 273 Q C -1.262 174.613 176.000 -0.208 0.000 1.020 273 Q CA -0.312 55.404 55.803 -0.145 0.000 0.785 273 Q CB 2.133 30.817 28.738 -0.090 0.000 1.259 273 Q HN 0.618 nan 8.270 nan 0.000 0.452 274 I N 2.170 122.550 120.570 -0.317 0.000 2.389 274 I HA 0.297 4.468 4.170 0.001 0.000 0.288 274 I C 0.181 176.147 176.117 -0.252 0.000 0.999 274 I CA -0.607 60.472 61.300 -0.368 0.000 1.129 274 I CB 1.636 39.220 38.000 -0.692 0.000 1.288 274 I HN 0.470 nan 8.210 nan 0.000 0.444 275 E N 3.505 123.613 120.200 -0.154 0.000 2.342 275 E HA 0.500 4.850 4.350 0.001 0.000 0.257 275 E C 0.132 176.694 176.600 -0.063 0.000 1.150 275 E CA -0.659 55.692 56.400 -0.082 0.000 0.926 275 E CB 0.977 30.645 29.700 -0.054 0.000 1.074 275 E HN 0.707 nan 8.360 nan 0.000 0.449 276 A N 1.723 124.534 122.820 -0.015 0.000 2.475 276 A HA -0.047 4.274 4.320 0.001 0.000 0.239 276 A C 0.695 178.293 177.584 0.024 0.000 1.087 276 A CA 0.323 52.365 52.037 0.010 0.000 0.779 276 A CB -0.057 18.962 19.000 0.032 0.000 1.036 276 A HN 0.935 nan 8.150 nan 0.000 0.506 277 N N -1.209 117.527 118.700 0.060 0.000 2.727 277 N HA -0.145 4.595 4.740 0.001 0.000 0.249 277 N C -0.677 174.908 175.510 0.125 0.000 1.048 277 N CA 0.613 53.763 53.050 0.167 0.000 0.714 277 N CB -0.682 37.899 38.487 0.156 0.000 0.959 277 N HN 0.445 nan 8.380 nan 0.000 0.544 278 V N 1.812 121.759 119.914 0.056 0.000 2.630 278 V HA 0.582 4.703 4.120 0.001 0.000 0.305 278 V C 0.588 176.697 176.094 0.026 0.000 1.046 278 V CA -0.501 61.804 62.300 0.009 0.000 0.934 278 V CB 2.055 33.831 31.823 -0.078 0.000 1.003 278 V HN 0.122 nan 8.190 nan 0.000 0.451 279 I N 5.159 125.691 120.570 -0.064 0.000 2.418 279 I HA 0.469 4.639 4.170 0.001 0.000 0.287 279 I C -1.026 174.956 176.117 -0.225 0.000 1.008 279 I CA -0.381 60.802 61.300 -0.195 0.000 1.104 279 I CB 1.649 39.283 38.000 -0.611 0.000 1.264 279 I HN 0.279 nan 8.210 nan 0.000 0.438 280 L N 6.949 128.092 121.223 -0.132 0.000 2.343 280 L HA 0.538 4.878 4.340 0.001 0.000 0.278 280 L C -0.589 176.250 176.870 -0.053 0.000 0.996 280 L CA -0.609 54.180 54.840 -0.085 0.000 0.831 280 L CB 1.630 43.652 42.059 -0.061 0.000 1.232 280 L HN 0.531 nan 8.230 nan 0.000 0.413 281 K N 1.487 121.863 120.400 -0.041 0.000 2.328 281 K HA 0.812 5.132 4.320 0.001 0.000 0.246 281 K C 0.446 177.064 176.600 0.030 0.000 0.955 281 K CA -0.263 56.025 56.287 0.001 0.000 0.817 281 K CB 2.290 34.793 32.500 0.006 0.000 1.208 281 K HN 0.652 nan 8.250 nan 0.000 0.432 282 G N 1.134 109.957 108.800 0.039 0.000 2.574 282 G HA2 -0.304 3.656 3.960 0.001 0.000 0.286 282 G HA3 -0.304 3.656 3.960 0.001 0.000 0.286 282 G C -0.391 174.530 174.900 0.035 0.000 1.212 282 G CA -0.136 44.987 45.100 0.038 0.000 0.979 282 G HN 0.476 nan 8.290 nan 0.000 0.557 283 Q N 1.840 121.659 119.800 0.031 0.000 3.184 283 Q HA 0.494 4.835 4.340 0.001 0.000 0.288 283 Q C 0.336 176.350 176.000 0.023 0.000 1.412 283 Q CA 0.508 56.327 55.803 0.027 0.000 0.991 283 Q CB -0.366 28.385 28.738 0.023 0.000 1.688 283 Q HN 0.549 nan 8.270 nan 0.000 0.554 284 T N 1.304 115.871 114.554 0.022 0.000 2.859 284 T HA 0.550 4.901 4.350 0.001 0.000 0.281 284 T C -0.256 174.447 174.700 0.005 0.000 1.005 284 T CA -0.666 61.441 62.100 0.012 0.000 1.025 284 T CB 1.126 69.997 68.868 0.005 0.000 0.977 284 T HN 0.152 nan 8.240 nan 0.000 0.458 285 K N 2.740 123.138 120.400 -0.002 0.000 2.397 285 K HA 0.592 4.913 4.320 0.001 0.000 0.253 285 K C -1.176 175.411 176.600 -0.022 0.000 0.932 285 K CA -0.966 55.317 56.287 -0.007 0.000 0.795 285 K CB 1.945 34.446 32.500 0.001 0.000 1.159 285 K HN 0.314 nan 8.250 nan 0.000 0.424 286 I N 1.982 122.530 120.570 -0.036 0.000 2.436 286 I HA 0.291 4.462 4.170 0.001 0.000 0.289 286 I C 0.737 176.830 176.117 -0.040 0.000 1.010 286 I CA -0.567 60.703 61.300 -0.050 0.000 1.098 286 I CB 1.094 39.042 38.000 -0.087 0.000 1.266 286 I HN 0.736 nan 8.210 nan 0.000 0.434 287 G N 3.753 112.534 108.800 -0.033 0.000 2.580 287 G HA2 0.541 4.502 3.960 0.001 0.000 0.278 287 G HA3 0.541 4.502 3.960 0.001 0.000 0.278 287 G C 0.014 174.897 174.900 -0.029 0.000 1.212 287 G CA -0.457 44.629 45.100 -0.024 0.000 0.939 287 G HN 0.804 nan 8.290 nan 0.000 0.513 288 A N -0.315 122.492 122.820 -0.021 0.000 2.565 288 A HA 0.376 4.696 4.320 0.001 0.000 0.237 288 A C 1.018 178.586 177.584 -0.026 0.000 1.053 288 A CA 1.042 53.066 52.037 -0.021 0.000 0.755 288 A CB -0.315 18.678 19.000 -0.012 0.000 0.980 288 A HN 1.117 nan 8.150 nan 0.000 0.506 289 E N -0.742 119.439 120.200 -0.031 0.000 3.547 289 E HA -0.250 4.101 4.350 0.001 0.000 0.300 289 E C 0.513 177.088 176.600 -0.042 0.000 0.857 289 E CA 1.133 57.513 56.400 -0.034 0.000 1.039 289 E CB -2.542 27.143 29.700 -0.024 0.000 1.524 289 E HN 1.097 nan 8.360 nan 0.000 0.457 290 T N -0.726 113.799 114.554 -0.049 0.000 2.860 290 T HA 0.410 4.760 4.350 0.001 0.000 0.299 290 T C 0.201 174.859 174.700 -0.069 0.000 1.045 290 T CA -0.390 61.678 62.100 -0.053 0.000 1.071 290 T CB 1.556 70.393 68.868 -0.051 0.000 0.985 290 T HN 0.059 nan 8.240 nan 0.000 0.537 291 V N 4.126 124.000 119.914 -0.066 0.000 2.495 291 V HA 0.465 4.586 4.120 0.001 0.000 0.298 291 V C -0.174 175.870 176.094 -0.084 0.000 1.031 291 V CA -0.857 61.397 62.300 -0.077 0.000 0.871 291 V CB 1.397 33.184 31.823 -0.061 0.000 0.988 291 V HN 0.804 nan 8.190 nan 0.000 0.432 292 L N 5.093 126.252 121.223 -0.106 0.000 2.316 292 L HA 0.537 4.877 4.340 0.001 0.000 0.280 292 L C 0.510 177.322 176.870 -0.097 0.000 1.006 292 L CA -0.367 54.411 54.840 -0.104 0.000 0.836 292 L CB 1.839 43.819 42.059 -0.131 0.000 1.221 292 L HN 0.775 nan 8.230 nan 0.000 0.418 293 T N -0.568 113.938 114.554 -0.079 0.000 2.918 293 T HA 0.183 4.533 4.350 0.001 0.000 0.283 293 T C 0.255 174.922 174.700 -0.054 0.000 1.001 293 T CA -0.690 61.368 62.100 -0.070 0.000 1.041 293 T CB 1.105 69.929 68.868 -0.074 0.000 1.028 293 T HN 0.562 nan 8.240 nan 0.000 0.511 294 N N 0.602 119.280 118.700 -0.036 0.000 2.131 294 N HA 0.212 4.952 4.740 0.001 0.000 0.276 294 N C 1.493 177.005 175.510 0.003 0.000 1.295 294 N CA 1.810 54.857 53.050 -0.005 0.000 0.818 294 N CB -0.465 38.028 38.487 0.009 0.000 1.049 294 N HN 1.151 nan 8.380 nan 0.000 0.484 295 G N 1.403 110.226 108.800 0.039 0.000 2.279 295 G HA2 -0.269 3.691 3.960 0.001 0.000 0.223 295 G HA3 -0.269 3.691 3.960 0.001 0.000 0.223 295 G C 0.369 175.315 174.900 0.076 0.000 1.015 295 G CA 0.158 45.297 45.100 0.065 0.000 0.621 295 G HN 0.704 nan 8.290 nan 0.000 0.506 296 T N 0.989 115.561 114.554 0.030 0.000 2.933 296 T HA 0.358 4.708 4.350 0.001 0.000 0.306 296 T C -0.670 174.091 174.700 0.102 0.000 1.045 296 T CA 0.967 63.091 62.100 0.041 0.000 1.143 296 T CB 0.789 69.650 68.868 -0.012 0.000 1.003 296 T HN 0.495 nan 8.240 nan 0.000 0.540 297 Y N 3.308 123.604 120.300 -0.007 0.000 2.331 297 Y HA 0.514 5.065 4.550 0.001 0.000 0.326 297 Y C -1.130 174.775 175.900 0.008 0.000 1.020 297 Y CA -1.019 57.086 58.100 0.008 0.000 1.136 297 Y CB 1.101 39.561 38.460 0.001 0.000 1.157 297 Y HN 0.386 nan 8.280 nan 0.000 0.444 298 V N 6.502 126.492 119.914 0.127 0.000 2.588 298 V HA 0.680 4.800 4.120 0.001 0.000 0.304 298 V C -1.029 175.128 176.094 0.106 0.000 1.042 298 V CA -0.937 61.434 62.300 0.119 0.000 0.877 298 V CB 1.776 33.620 31.823 0.034 0.000 0.996 298 V HN 0.502 nan 8.190 nan 0.000 0.425 299 V N 2.688 122.685 119.914 0.139 0.000 2.577 299 V HA 0.475 4.595 4.120 0.001 0.000 0.303 299 V C -0.209 175.930 176.094 0.075 0.000 1.042 299 V CA -0.787 61.583 62.300 0.117 0.000 0.872 299 V CB 1.687 33.614 31.823 0.173 0.000 0.998 299 V HN 0.951 nan 8.190 nan 0.000 0.423 300 D N 2.545 122.976 120.400 0.053 0.000 2.720 300 D HA -0.154 4.487 4.640 0.001 0.000 0.229 300 D C 0.338 176.655 176.300 0.029 0.000 1.198 300 D CA 1.253 55.275 54.000 0.037 0.000 0.639 300 D CB -0.436 40.386 40.800 0.036 0.000 1.003 300 D HN 0.625 nan 8.370 nan 0.000 0.411 301 S N -0.923 114.792 115.700 0.025 0.000 2.667 301 S HA 0.685 5.155 4.470 0.001 0.000 0.292 301 S C 0.032 174.637 174.600 0.007 0.000 1.126 301 S CA -0.721 57.489 58.200 0.017 0.000 0.881 301 S CB 2.666 65.879 63.200 0.021 0.000 1.132 301 S HN 0.049 nan 8.310 nan 0.000 0.492 302 T N 1.756 116.311 114.554 0.002 0.000 2.812 302 T HA 0.618 4.969 4.350 0.001 0.000 0.282 302 T C -0.741 173.954 174.700 -0.008 0.000 0.990 302 T CA -0.271 61.827 62.100 -0.003 0.000 0.960 302 T CB 0.240 69.106 68.868 -0.002 0.000 0.948 302 T HN 0.390 nan 8.240 nan 0.000 0.438 303 I N 2.210 122.771 120.570 -0.014 0.000 2.465 303 I HA 0.538 4.708 4.170 0.001 0.000 0.291 303 I C 1.106 177.211 176.117 -0.019 0.000 1.014 303 I CA -0.887 60.402 61.300 -0.019 0.000 1.093 303 I CB 1.940 39.924 38.000 -0.026 0.000 1.267 303 I HN 0.699 nan 8.210 nan 0.000 0.431 304 G N 3.425 112.214 108.800 -0.017 0.000 2.489 304 G HA2 0.584 4.544 3.960 0.001 0.000 0.271 304 G HA3 0.584 4.544 3.960 0.001 0.000 0.271 304 G C -0.241 174.647 174.900 -0.020 0.000 1.427 304 G CA -0.314 44.777 45.100 -0.015 0.000 1.057 304 G HN 0.752 nan 8.290 nan 0.000 0.532 305 A N -2.415 120.395 122.820 -0.017 0.000 2.286 305 A HA 0.603 4.924 4.320 0.001 0.000 0.286 305 A C 1.357 178.930 177.584 -0.018 0.000 1.097 305 A CA 0.706 52.732 52.037 -0.019 0.000 0.821 305 A CB 0.243 19.235 19.000 -0.014 0.000 1.076 305 A HN 2.480 nan 8.150 nan 0.000 0.490 306 G N -0.807 107.980 108.800 -0.022 0.000 2.168 306 G HA2 0.141 4.101 3.960 0.001 0.000 0.257 306 G HA3 0.141 4.101 3.960 0.001 0.000 0.257 306 G C 0.532 175.420 174.900 -0.020 0.000 0.997 306 G CA 0.786 45.873 45.100 -0.020 0.000 0.708 306 G HN 2.020 nan 8.290 nan 0.000 0.520 307 A N -1.107 121.699 122.820 -0.025 0.000 2.264 307 A HA 0.836 5.157 4.320 0.001 0.000 0.304 307 A C 0.049 177.615 177.584 -0.030 0.000 1.100 307 A CA -0.009 52.014 52.037 -0.023 0.000 0.839 307 A CB 1.734 20.718 19.000 -0.025 0.000 1.121 307 A HN 1.164 nan 8.150 nan 0.000 0.496 308 V N 2.878 122.776 119.914 -0.027 0.000 2.419 308 V HA 0.260 4.380 4.120 0.001 0.000 0.287 308 V C -0.968 175.102 176.094 -0.040 0.000 1.017 308 V CA -0.325 61.954 62.300 -0.034 0.000 0.844 308 V CB 1.111 32.918 31.823 -0.026 0.000 1.011 308 V HN 0.650 nan 8.190 nan 0.000 0.429 309 I N 3.840 124.379 120.570 -0.052 0.000 2.307 309 I HA 0.371 4.541 4.170 0.001 0.000 0.289 309 I C 0.470 176.544 176.117 -0.072 0.000 1.021 309 I CA 0.051 61.316 61.300 -0.057 0.000 1.224 309 I CB 1.299 39.270 38.000 -0.049 0.000 1.376 309 I HN 0.462 nan 8.210 nan 0.000 0.470 310 T N 5.508 120.006 114.554 -0.092 0.000 2.743 310 T HA 0.185 4.536 4.350 0.001 0.000 0.292 310 T C 0.688 175.282 174.700 -0.176 0.000 0.972 310 T CA -0.525 61.499 62.100 -0.127 0.000 0.967 310 T CB 0.074 68.859 68.868 -0.137 0.000 0.926 310 T HN 0.664 nan 8.240 nan 0.000 0.459 311 N N 2.660 121.262 118.700 -0.163 0.000 2.725 311 N HA -0.204 4.537 4.740 0.001 0.000 0.280 311 N C -0.721 174.699 175.510 -0.151 0.000 1.017 311 N CA 0.227 53.171 53.050 -0.176 0.000 0.813 311 N CB -0.231 38.051 38.487 -0.342 0.000 0.931 311 N HN 0.450 nan 8.380 nan 0.000 0.570 312 S N 0.950 116.613 115.700 -0.062 0.000 2.627 312 S HA 0.542 5.013 4.470 0.001 0.000 0.283 312 S C -0.588 174.033 174.600 0.036 0.000 1.127 312 S CA -0.741 57.446 58.200 -0.021 0.000 0.863 312 S CB 1.956 65.132 63.200 -0.040 0.000 1.121 312 S HN 0.393 nan 8.310 nan 0.000 0.479 313 M N 2.897 122.524 119.600 0.044 0.000 2.167 313 M HA 0.593 5.073 4.480 0.001 0.000 0.333 313 M C -1.944 174.454 176.300 0.163 0.000 1.030 313 M CA -0.408 54.933 55.300 0.068 0.000 0.963 313 M CB 0.279 32.784 32.600 -0.158 0.000 1.589 313 M HN 0.567 nan 8.290 nan 0.000 0.431 314 I N 4.523 125.181 120.570 0.147 0.000 2.418 314 I HA 0.388 4.559 4.170 0.001 0.000 0.287 314 I C -0.966 175.222 176.117 0.117 0.000 1.008 314 I CA -0.597 60.771 61.300 0.113 0.000 1.104 314 I CB 2.033 40.070 38.000 0.061 0.000 1.264 314 I HN 0.684 nan 8.210 nan 0.000 0.438 315 E N 5.006 125.262 120.200 0.092 0.000 2.234 315 E HA 0.342 4.692 4.350 0.001 0.000 0.266 315 E C -0.913 175.707 176.600 0.035 0.000 0.877 315 E CA -0.841 55.605 56.400 0.077 0.000 0.758 315 E CB 1.693 31.447 29.700 0.089 0.000 1.170 315 E HN 0.447 nan 8.360 nan 0.000 0.415 316 E N 0.848 121.068 120.200 0.034 0.000 2.165 316 E HA -0.224 4.127 4.350 0.001 0.000 0.203 316 E C -0.819 175.782 176.600 0.002 0.000 1.335 316 E CA 0.564 56.973 56.400 0.016 0.000 0.708 316 E CB -0.839 28.867 29.700 0.010 0.000 1.105 316 E HN 0.294 nan 8.360 nan 0.000 0.346 317 S N -0.744 114.958 115.700 0.003 0.000 2.732 317 S HA 0.648 5.118 4.470 0.001 0.000 0.293 317 S C -0.815 173.780 174.600 -0.007 0.000 1.159 317 S CA -0.621 57.574 58.200 -0.009 0.000 0.847 317 S CB 2.238 65.427 63.200 -0.018 0.000 1.169 317 S HN 0.158 nan 8.310 nan 0.000 0.501 318 S N 0.817 116.509 115.700 -0.013 0.000 2.502 318 S HA 0.737 5.208 4.470 0.001 0.000 0.304 318 S C -1.574 173.017 174.600 -0.015 0.000 1.097 318 S CA -0.463 57.731 58.200 -0.011 0.000 1.045 318 S CB 0.716 63.910 63.200 -0.010 0.000 1.019 318 S HN 0.450 nan 8.310 nan 0.000 0.481 319 V N 4.191 124.098 119.914 -0.013 0.000 2.482 319 V HA 0.734 4.854 4.120 0.001 0.000 0.295 319 V C 0.736 176.822 176.094 -0.013 0.000 1.026 319 V CA -0.642 61.649 62.300 -0.016 0.000 0.856 319 V CB 0.938 32.750 31.823 -0.018 0.000 1.001 319 V HN 1.127 nan 8.190 nan 0.000 0.424 320 A N 3.545 126.358 122.820 -0.010 0.000 2.262 320 A HA 0.452 4.773 4.320 0.001 0.000 0.273 320 A C 0.093 177.672 177.584 -0.008 0.000 1.202 320 A CA -0.239 51.794 52.037 -0.007 0.000 0.811 320 A CB 0.047 19.045 19.000 -0.004 0.000 1.159 320 A HN 0.788 nan 8.150 nan 0.000 0.505 321 D N -0.909 119.487 120.400 -0.006 0.000 2.372 321 D HA 0.414 5.055 4.640 0.001 0.000 0.243 321 D C 1.262 177.559 176.300 -0.005 0.000 1.121 321 D CA 1.522 55.518 54.000 -0.007 0.000 0.898 321 D CB 0.449 41.246 40.800 -0.006 0.000 1.202 321 D HN 1.103 nan 8.370 nan 0.000 0.428 322 G N 0.389 109.185 108.800 -0.007 0.000 2.175 322 G HA2 -0.273 3.687 3.960 0.001 0.000 0.265 322 G HA3 -0.273 3.687 3.960 0.001 0.000 0.265 322 G C 0.396 175.298 174.900 0.004 0.000 0.979 322 G CA 0.437 45.535 45.100 -0.004 0.000 0.663 322 G HN 0.477 nan 8.290 nan 0.000 0.533 323 V N 1.705 121.620 119.914 0.002 0.000 2.715 323 V HA 0.526 4.647 4.120 0.001 0.000 0.299 323 V C 1.018 177.119 176.094 0.013 0.000 1.054 323 V CA 0.668 62.973 62.300 0.009 0.000 1.077 323 V CB 1.324 33.143 31.823 -0.006 0.000 0.972 323 V HN 0.732 nan 8.190 nan 0.000 0.484 324 T N 2.180 116.763 114.554 0.049 0.000 2.792 324 T HA 0.768 5.118 4.350 0.001 0.000 0.280 324 T C -0.820 173.878 174.700 -0.003 0.000 0.990 324 T CA -0.675 61.466 62.100 0.069 0.000 0.960 324 T CB 1.444 70.432 68.868 0.200 0.000 0.939 324 T HN 0.328 nan 8.240 nan 0.000 0.439 325 V N 2.370 122.250 119.914 -0.056 0.000 2.789 325 V HA 0.914 5.035 4.120 0.001 0.000 0.311 325 V C 0.826 176.840 176.094 -0.133 0.000 1.073 325 V CA 0.282 62.505 62.300 -0.128 0.000 0.921 325 V CB 1.057 32.823 31.823 -0.095 0.000 1.009 325 V HN 1.595 nan 8.190 nan 0.000 0.426 326 G N 5.203 113.892 108.800 -0.185 0.000 2.660 326 G HA2 -0.052 3.908 3.960 0.001 0.000 0.247 326 G HA3 -0.052 3.908 3.960 0.001 0.000 0.247 326 G C -3.030 171.743 174.900 -0.211 0.000 1.328 326 G CA -0.401 44.578 45.100 -0.202 0.000 0.884 326 G HN 0.729 nan 8.290 nan 0.000 0.531 327 P HA 0.373 nan 4.420 nan 0.000 0.274 327 P C -0.457 176.570 177.300 -0.456 0.000 1.237 327 P CA 0.466 63.267 63.100 -0.499 0.000 0.793 327 P CB 0.049 31.341 31.700 -0.680 0.000 0.977 328 Y N -2.671 117.571 120.300 -0.096 0.000 3.078 328 Y HA -0.117 4.434 4.550 0.001 0.000 0.202 328 Y C 0.535 176.401 175.900 -0.056 0.000 1.322 328 Y CA 0.634 58.704 58.100 -0.049 0.000 1.118 328 Y CB -2.679 35.788 38.460 0.013 0.000 1.343 328 Y HN 0.574 nan 8.280 nan 0.000 0.499 329 A N 0.098 122.934 122.820 0.027 0.000 2.356 329 A HA 0.794 5.114 4.320 0.001 0.000 0.323 329 A C -0.839 176.814 177.584 0.116 0.000 1.119 329 A CA -0.646 51.411 52.037 0.033 0.000 0.790 329 A CB 1.427 20.390 19.000 -0.063 0.000 1.273 329 A HN 0.610 nan 8.150 nan 0.000 0.452 330 H N 2.131 121.201 119.070 0.001 0.000 2.906 330 H HA 0.446 5.003 4.556 0.001 0.000 0.324 330 H C -1.374 173.941 175.328 -0.022 0.000 0.973 330 H CA -0.892 55.156 56.048 0.000 0.000 1.321 330 H CB 0.658 30.433 29.762 0.022 0.000 1.535 330 H HN 0.443 nan 8.280 nan 0.000 0.518 331 I N 6.047 126.674 120.570 0.095 0.000 2.306 331 I HA 0.253 4.424 4.170 0.001 0.000 0.288 331 I C 0.563 176.623 176.117 -0.095 0.000 1.036 331 I CA -0.254 61.018 61.300 -0.046 0.000 1.221 331 I CB 0.628 38.617 38.000 -0.018 0.000 1.385 331 I HN 0.566 nan 8.210 nan 0.000 0.472 332 R N 5.867 126.223 120.500 -0.240 0.000 2.546 332 R HA 0.425 4.765 4.340 0.001 0.000 0.266 332 R C -2.295 173.941 176.300 -0.107 0.000 1.086 332 R CA -1.665 54.300 56.100 -0.226 0.000 1.160 332 R CB 0.004 30.105 30.300 -0.331 0.000 1.138 332 R HN 0.256 nan 8.270 nan 0.000 0.567 333 P HA -0.219 nan 4.420 nan 0.000 0.265 333 P C -0.820 176.451 177.300 -0.048 0.000 1.167 333 P CA 0.774 63.850 63.100 -0.040 0.000 0.760 333 P CB 0.213 31.895 31.700 -0.031 0.000 0.783 334 N N -1.018 117.662 118.700 -0.034 0.000 2.725 334 N HA -0.153 4.587 4.740 0.001 0.000 0.251 334 N C -0.716 174.767 175.510 -0.045 0.000 1.031 334 N CA 1.015 54.045 53.050 -0.034 0.000 0.720 334 N CB -1.596 36.872 38.487 -0.032 0.000 0.930 334 N HN 0.286 nan 8.380 nan 0.000 0.543 335 S N -0.177 115.494 115.700 -0.049 0.000 2.568 335 S HA 0.748 5.218 4.470 0.001 0.000 0.302 335 S C 0.133 174.708 174.600 -0.042 0.000 1.082 335 S CA -0.662 57.502 58.200 -0.060 0.000 1.009 335 S CB 2.297 65.448 63.200 -0.082 0.000 1.069 335 S HN 0.396 nan 8.310 nan 0.000 0.500 336 S N 1.640 117.316 115.700 -0.040 0.000 2.677 336 S HA 0.618 5.088 4.470 0.001 0.000 0.283 336 S C -1.139 173.444 174.600 -0.028 0.000 1.159 336 S CA -0.867 57.316 58.200 -0.027 0.000 1.001 336 S CB 0.229 63.418 63.200 -0.018 0.000 1.032 336 S HN 0.523 nan 8.310 nan 0.000 0.487 337 L N 3.247 124.455 121.223 -0.026 0.000 2.296 337 L HA 0.693 5.033 4.340 0.001 0.000 0.286 337 L C 1.074 177.938 176.870 -0.010 0.000 1.023 337 L CA -0.822 54.005 54.840 -0.022 0.000 0.812 337 L CB 1.343 43.383 42.059 -0.031 0.000 1.223 337 L HN 0.954 nan 8.230 nan 0.000 0.421 338 G N 1.718 110.517 108.800 -0.001 0.000 2.616 338 G HA2 0.464 4.424 3.960 0.001 0.000 0.268 338 G HA3 0.464 4.424 3.960 0.001 0.000 0.268 338 G C 0.119 175.022 174.900 0.005 0.000 1.213 338 G CA -0.329 44.773 45.100 0.004 0.000 0.926 338 G HN 0.804 nan 8.290 nan 0.000 0.523 339 A N -0.466 122.357 122.820 0.005 0.000 2.587 339 A HA 0.313 4.633 4.320 0.001 0.000 0.235 339 A C 1.112 178.702 177.584 0.011 0.000 1.044 339 A CA 1.192 53.232 52.037 0.005 0.000 0.754 339 A CB -0.307 18.695 19.000 0.004 0.000 0.968 339 A HN 1.060 nan 8.150 nan 0.000 0.509 340 Q N -0.759 119.048 119.800 0.011 0.000 2.348 340 Q HA -0.185 4.155 4.340 0.001 0.000 0.221 340 Q C 0.116 176.137 176.000 0.036 0.000 0.735 340 Q CA 0.815 56.629 55.803 0.019 0.000 1.351 340 Q CB -2.138 26.608 28.738 0.013 0.000 1.640 340 Q HN 0.615 nan 8.270 nan 0.000 0.667 341 V N 0.785 120.719 119.914 0.034 0.000 2.999 341 V HA 0.053 4.173 4.120 0.001 0.000 0.307 341 V C 0.212 176.354 176.094 0.079 0.000 1.084 341 V CA 0.739 63.067 62.300 0.047 0.000 1.155 341 V CB 0.852 32.687 31.823 0.019 0.000 0.975 341 V HN 0.256 nan 8.190 nan 0.000 0.490 342 H N 4.271 123.328 119.070 -0.021 0.000 2.658 342 H HA 0.561 5.118 4.556 0.001 0.000 0.337 342 H C -1.095 174.198 175.328 -0.057 0.000 1.009 342 H CA -0.846 55.176 56.048 -0.043 0.000 1.231 342 H CB 0.992 30.725 29.762 -0.048 0.000 1.508 342 H HN 0.373 nan 8.280 nan 0.000 0.517 343 I N 5.549 125.734 120.570 -0.641 0.000 2.411 343 I HA 0.335 4.505 4.170 0.001 0.000 0.284 343 I C 1.135 176.827 176.117 -0.709 0.000 1.012 343 I CA -0.197 60.790 61.300 -0.522 0.000 1.119 343 I CB 0.819 38.654 38.000 -0.276 0.000 1.261 343 I HN 0.815 nan 8.210 nan 0.000 0.448 344 G N 6.272 114.668 108.800 -0.673 0.000 2.582 344 G HA2 0.199 4.159 3.960 0.001 0.000 0.232 344 G HA3 0.199 4.159 3.960 0.001 0.000 0.232 344 G C 0.085 174.803 174.900 -0.303 0.000 1.458 344 G CA -0.763 44.071 45.100 -0.443 0.000 1.062 344 G HN 0.738 nan 8.290 nan 0.000 0.566 345 N N -1.456 117.049 118.700 -0.324 0.000 2.518 345 N HA 0.204 4.945 4.740 0.001 0.000 0.266 345 N C -0.849 174.360 175.510 -0.501 0.000 1.196 345 N CA -0.349 52.340 53.050 -0.601 0.000 0.947 345 N CB 0.567 38.437 38.487 -1.028 0.000 1.098 345 N HN 0.353 nan 8.380 nan 0.000 0.450 346 F N -1.869 118.153 119.950 0.122 0.000 3.071 346 F HA -0.178 4.350 4.527 0.001 0.000 0.295 346 F C -0.857 174.985 175.800 0.070 0.000 0.919 346 F CA -0.268 57.792 58.000 0.100 0.000 1.050 346 F CB -2.261 36.793 39.000 0.090 0.000 1.040 346 F HN 0.250 nan 8.300 nan 0.000 0.692 347 V N 0.147 120.128 119.914 0.110 0.000 2.555 347 V HA 0.530 4.650 4.120 0.001 0.000 0.302 347 V C 0.129 176.246 176.094 0.039 0.000 1.038 347 V CA -1.014 61.313 62.300 0.045 0.000 0.887 347 V CB 2.292 34.073 31.823 -0.069 0.000 0.991 347 V HN 0.293 nan 8.190 nan 0.000 0.434 348 E N 3.254 123.477 120.200 0.039 0.000 2.187 348 E HA 0.684 5.034 4.350 0.001 0.000 0.268 348 E C -1.892 174.609 176.600 -0.165 0.000 0.896 348 E CA -0.484 55.927 56.400 0.019 0.000 0.766 348 E CB 2.185 32.004 29.700 0.198 0.000 1.142 348 E HN 0.454 nan 8.360 nan 0.000 0.408 349 V N 4.948 124.738 119.914 -0.207 0.000 2.483 349 V HA 0.400 4.521 4.120 0.001 0.000 0.297 349 V C -0.531 175.412 176.094 -0.252 0.000 1.027 349 V CA -0.755 61.376 62.300 -0.281 0.000 0.855 349 V CB 1.644 33.336 31.823 -0.218 0.000 0.995 349 V HN 0.601 nan 8.190 nan 0.000 0.424 350 K N 3.344 123.572 120.400 -0.287 0.000 2.471 350 K HA 0.601 4.922 4.320 0.001 0.000 0.252 350 K C 0.563 177.071 176.600 -0.154 0.000 0.938 350 K CA 0.010 56.184 56.287 -0.188 0.000 0.796 350 K CB 1.770 34.203 32.500 -0.112 0.000 1.161 350 K HN 1.056 nan 8.250 nan 0.000 0.425 351 G N 2.589 111.324 108.800 -0.107 0.000 2.395 351 G HA2 -0.235 3.726 3.960 0.001 0.000 0.292 351 G HA3 -0.235 3.726 3.960 0.001 0.000 0.292 351 G C -0.788 174.063 174.900 -0.081 0.000 0.953 351 G CA 0.843 45.896 45.100 -0.078 0.000 1.207 351 G HN 0.482 nan 8.290 nan 0.000 0.503 352 S N -0.900 114.746 115.700 -0.091 0.000 2.540 352 S HA 0.765 5.236 4.470 0.001 0.000 0.275 352 S C -0.043 174.523 174.600 -0.057 0.000 1.123 352 S CA -0.122 58.031 58.200 -0.080 0.000 0.907 352 S CB 2.092 65.218 63.200 -0.124 0.000 1.081 352 S HN 1.310 nan 8.310 nan 0.000 0.476 353 S N 1.924 117.605 115.700 -0.031 0.000 2.462 353 S HA 0.753 5.224 4.470 0.001 0.000 0.294 353 S C -0.527 174.072 174.600 -0.002 0.000 1.144 353 S CA -0.686 57.504 58.200 -0.017 0.000 1.088 353 S CB 0.186 63.382 63.200 -0.006 0.000 1.009 353 S HN 0.613 nan 8.310 nan 0.000 0.484 354 I N 2.613 123.183 120.570 0.000 0.000 2.436 354 I HA 0.448 4.618 4.170 0.001 0.000 0.289 354 I C 0.974 177.108 176.117 0.028 0.000 1.010 354 I CA -0.840 60.477 61.300 0.028 0.000 1.098 354 I CB 1.757 39.767 38.000 0.017 0.000 1.266 354 I HN 0.900 nan 8.210 nan 0.000 0.434 355 G N 4.599 113.422 108.800 0.038 0.000 2.634 355 G HA2 0.230 4.191 3.960 0.001 0.000 0.255 355 G HA3 0.230 4.191 3.960 0.001 0.000 0.255 355 G C -0.068 174.848 174.900 0.028 0.000 1.205 355 G CA -0.480 44.636 45.100 0.026 0.000 0.884 355 G HN 0.759 nan 8.290 nan 0.000 0.549 356 E N 0.058 120.270 120.200 0.020 0.000 2.418 356 E HA -0.022 4.329 4.350 0.001 0.000 0.261 356 E C -0.006 176.608 176.600 0.024 0.000 1.070 356 E CA -0.030 56.381 56.400 0.020 0.000 0.931 356 E CB 0.367 30.075 29.700 0.013 0.000 0.954 356 E HN 0.494 nan 8.360 nan 0.000 0.439 357 N N -0.485 118.232 118.700 0.027 0.000 2.857 357 N HA -0.164 4.576 4.740 0.001 0.000 0.242 357 N C -0.585 174.950 175.510 0.043 0.000 0.983 357 N CA 1.564 54.633 53.050 0.031 0.000 0.934 357 N CB -1.785 36.714 38.487 0.021 0.000 1.115 357 N HN 0.572 nan 8.380 nan 0.000 0.593 358 T N 2.140 116.725 114.554 0.052 0.000 2.918 358 T HA 0.272 4.623 4.350 0.001 0.000 0.302 358 T C 0.747 175.512 174.700 0.108 0.000 1.045 358 T CA 0.020 62.163 62.100 0.072 0.000 1.114 358 T CB 1.039 69.969 68.868 0.104 0.000 0.965 358 T HN 0.148 nan 8.240 nan 0.000 0.540 359 K N 0.346 120.823 120.400 0.129 0.000 2.427 359 K HA 0.733 5.054 4.320 0.001 0.000 0.252 359 K C -1.619 175.118 176.600 0.227 0.000 0.931 359 K CA -1.210 55.173 56.287 0.160 0.000 0.793 359 K CB 2.324 34.914 32.500 0.150 0.000 1.211 359 K HN 0.509 nan 8.250 nan 0.000 0.426 360 A N 1.775 124.669 122.820 0.123 0.000 2.763 360 A HA 0.505 4.826 4.320 0.001 0.000 0.325 360 A C 0.603 178.124 177.584 -0.105 0.000 1.209 360 A CA -0.486 51.592 52.037 0.068 0.000 0.764 360 A CB 0.624 19.541 19.000 -0.137 0.000 1.120 360 A HN 0.925 nan 8.150 nan 0.000 0.463 361 G N 0.736 109.444 108.800 -0.154 0.000 2.712 361 G HA2 0.335 4.295 3.960 0.001 0.000 0.212 361 G HA3 0.335 4.295 3.960 0.001 0.000 0.212 361 G C 0.513 174.996 174.900 -0.695 0.000 1.142 361 G CA 0.644 45.434 45.100 -0.517 0.000 0.789 361 G HN 0.922 nan 8.290 nan 0.000 0.535 362 H N -2.631 116.470 119.070 0.051 0.000 3.094 362 H HA 0.203 4.759 4.556 0.001 0.000 0.335 362 H C -0.405 175.001 175.328 0.131 0.000 1.254 362 H CA -1.491 54.612 56.048 0.091 0.000 1.240 362 H CB 0.397 30.236 29.762 0.128 0.000 1.936 362 H HN -0.099 nan 8.280 nan 0.000 0.536 363 L N 1.030 122.471 121.223 0.362 0.000 3.965 363 L HA -0.212 4.129 4.340 0.001 0.000 0.499 363 L C -0.595 176.383 176.870 0.179 0.000 1.194 363 L CA 0.964 55.970 54.840 0.277 0.000 0.707 363 L CB -1.623 40.568 42.059 0.220 0.000 1.414 363 L HN 0.755 nan 8.230 nan 0.000 0.802 364 T N -0.993 113.647 114.554 0.144 0.000 2.909 364 T HA 0.538 4.888 4.350 0.001 0.000 0.299 364 T C -1.216 173.529 174.700 0.074 0.000 1.073 364 T CA -0.626 61.523 62.100 0.081 0.000 0.999 364 T CB 2.079 70.947 68.868 -0.001 0.000 1.098 364 T HN 0.122 nan 8.240 nan 0.000 0.477 365 Y N 2.877 123.135 120.300 -0.070 0.000 2.331 365 Y HA 0.711 5.262 4.550 0.001 0.000 0.334 365 Y C -1.395 174.420 175.900 -0.143 0.000 0.960 365 Y CA -1.264 56.783 58.100 -0.087 0.000 1.130 365 Y CB 0.642 39.079 38.460 -0.038 0.000 1.164 365 Y HN 0.551 nan 8.280 nan 0.000 0.458 366 I N 6.408 126.479 120.570 -0.832 0.000 2.411 366 I HA 0.580 4.751 4.170 0.001 0.000 0.284 366 I C -0.022 175.583 176.117 -0.854 0.000 1.012 366 I CA -0.630 60.237 61.300 -0.723 0.000 1.119 366 I CB 1.695 39.322 38.000 -0.622 0.000 1.261 366 I HN 0.841 nan 8.210 nan 0.000 0.448 367 G N 2.966 111.317 108.800 -0.747 0.000 2.617 367 G HA2 0.405 4.365 3.960 0.001 0.000 0.306 367 G HA3 0.405 4.365 3.960 0.001 0.000 0.306 367 G C -0.292 174.521 174.900 -0.143 0.000 1.360 367 G CA -0.603 44.228 45.100 -0.448 0.000 0.983 367 G HN 0.667 nan 8.290 nan 0.000 0.496 368 N N -1.316 117.328 118.700 -0.093 0.000 2.738 368 N HA -0.197 4.544 4.740 0.001 0.000 0.249 368 N C -0.320 175.182 175.510 -0.014 0.000 1.047 368 N CA 1.073 54.105 53.050 -0.031 0.000 0.707 368 N CB -1.350 37.146 38.487 0.014 0.000 0.937 368 N HN 0.605 nan 8.380 nan 0.000 0.545 369 C N -0.098 119.179 119.300 -0.037 0.000 2.561 369 C HA 0.524 4.984 4.460 0.001 0.000 0.319 369 C C 0.593 175.589 174.990 0.009 0.000 1.198 369 C CA -0.979 58.040 59.018 0.002 0.000 1.665 369 C CB 1.889 29.637 27.740 0.014 0.000 2.258 369 C HN 0.381 nan 8.230 nan 0.000 0.493 370 E N 1.481 121.698 120.200 0.030 0.000 2.073 370 E HA 0.556 4.907 4.350 0.001 0.000 0.269 370 E C -1.313 175.316 176.600 0.048 0.000 0.917 370 E CA -0.100 56.316 56.400 0.028 0.000 0.757 370 E CB 0.845 30.560 29.700 0.025 0.000 1.111 370 E HN 0.557 nan 8.360 nan 0.000 0.410 371 V N 3.413 123.362 119.914 0.060 0.000 2.513 371 V HA 0.525 4.646 4.120 0.001 0.000 0.299 371 V C 0.958 177.085 176.094 0.055 0.000 1.035 371 V CA -0.644 61.709 62.300 0.089 0.000 0.889 371 V CB 1.612 33.547 31.823 0.187 0.000 0.988 371 V HN 0.760 nan 8.190 nan 0.000 0.440 372 G N 2.437 111.257 108.800 0.032 0.000 2.508 372 G HA2 0.462 4.422 3.960 0.001 0.000 0.278 372 G HA3 0.462 4.422 3.960 0.001 0.000 0.278 372 G C 0.172 175.083 174.900 0.017 0.000 1.389 372 G CA 0.052 45.163 45.100 0.017 0.000 1.050 372 G HN 0.929 nan 8.290 nan 0.000 0.522 373 S N -0.979 114.727 115.700 0.010 0.000 2.585 373 S HA 0.285 4.755 4.470 0.001 0.000 0.277 373 S C 0.447 175.049 174.600 0.003 0.000 1.241 373 S CA -0.241 57.965 58.200 0.011 0.000 1.041 373 S CB 1.186 64.393 63.200 0.011 0.000 0.987 373 S HN 0.693 nan 8.310 nan 0.000 0.512 374 N N -0.738 117.967 118.700 0.008 0.000 2.741 374 N HA -0.129 4.612 4.740 0.001 0.000 0.250 374 N C -0.423 175.076 175.510 -0.017 0.000 1.115 374 N CA 0.728 53.781 53.050 0.006 0.000 0.724 374 N CB -1.713 36.781 38.487 0.012 0.000 1.090 374 N HN 0.511 nan 8.380 nan 0.000 0.558 375 V N 0.689 120.573 119.914 -0.050 0.000 3.003 375 V HA 0.221 4.341 4.120 0.001 0.000 0.305 375 V C 0.723 176.692 176.094 -0.208 0.000 1.078 375 V CA -0.171 62.031 62.300 -0.163 0.000 1.083 375 V CB 1.538 33.214 31.823 -0.246 0.000 1.039 375 V HN 0.246 nan 8.190 nan 0.000 0.481 376 N N 1.198 119.669 118.700 -0.382 0.000 2.410 376 N HA 0.529 5.269 4.740 0.001 0.000 0.287 376 N C -1.557 173.593 175.510 -0.600 0.000 1.044 376 N CA -0.403 52.406 53.050 -0.402 0.000 0.881 376 N CB 1.081 39.271 38.487 -0.494 0.000 1.405 376 N HN 0.453 nan 8.380 nan 0.000 0.490 377 F N 1.314 121.148 119.950 -0.193 0.000 2.388 377 F HA 0.477 5.004 4.527 0.000 0.000 0.358 377 F C 1.345 177.077 175.800 -0.113 0.000 1.122 377 F CA -0.683 57.231 58.000 -0.144 0.000 1.056 377 F CB 1.508 40.470 39.000 -0.064 0.000 1.155 377 F HN 0.368 nan 8.300 nan 0.000 0.461 378 G N 1.686 110.479 108.800 -0.012 0.000 2.527 378 G HA2 0.450 4.410 3.960 0.001 0.000 0.248 378 G HA3 0.450 4.410 3.960 0.001 0.000 0.248 378 G C -0.287 174.697 174.900 0.139 0.000 1.231 378 G CA -0.629 44.489 45.100 0.029 0.000 0.838 378 G HN 0.924 nan 8.290 nan 0.000 0.570 379 A N 0.000 122.889 122.820 0.114 0.000 2.565 379 A HA 0.502 4.823 4.320 0.001 0.000 0.237 379 A C 1.675 179.303 177.584 0.073 0.000 1.053 379 A CA 1.339 53.426 52.037 0.083 0.000 0.755 379 A CB -0.283 18.551 19.000 -0.276 0.000 0.980 379 A HN 2.594 nan 8.150 nan 0.000 0.506 380 G N 1.688 110.552 108.800 0.107 0.000 2.213 380 G HA2 -0.208 3.753 3.960 0.001 0.000 0.236 380 G HA3 -0.208 3.753 3.960 0.001 0.000 0.236 380 G C 0.519 175.477 174.900 0.096 0.000 0.991 380 G CA 0.406 45.556 45.100 0.084 0.000 0.629 380 G HN 1.250 nan 8.290 nan 0.000 0.517 381 T N 2.317 116.943 114.554 0.121 0.000 2.940 381 T HA 0.489 4.840 4.350 0.001 0.000 0.309 381 T C 0.278 175.057 174.700 0.131 0.000 1.056 381 T CA 0.531 62.714 62.100 0.138 0.000 1.137 381 T CB 1.109 70.103 68.868 0.211 0.000 0.976 381 T HN 0.300 nan 8.240 nan 0.000 0.547 382 I N 3.078 123.731 120.570 0.137 0.000 2.534 382 I HA 0.252 4.422 4.170 0.001 0.000 0.288 382 I C 0.509 176.729 176.117 0.173 0.000 1.077 382 I CA -0.773 60.626 61.300 0.166 0.000 1.051 382 I CB 1.867 39.947 38.000 0.134 0.000 1.234 382 I HN 0.702 nan 8.210 nan 0.000 0.425 383 T N 3.305 117.983 114.554 0.206 0.000 2.743 383 T HA 0.605 4.956 4.350 0.001 0.000 0.292 383 T C -0.232 174.617 174.700 0.248 0.000 0.972 383 T CA -0.606 61.597 62.100 0.170 0.000 0.967 383 T CB 1.011 69.924 68.868 0.074 0.000 0.926 383 T HN 0.207 nan 8.240 nan 0.000 0.459 384 V N 5.326 125.352 119.914 0.187 0.000 2.385 384 V HA 0.344 4.465 4.120 0.001 0.000 0.269 384 V C 1.057 177.275 176.094 0.207 0.000 1.043 384 V CA -0.525 61.886 62.300 0.186 0.000 0.906 384 V CB 0.246 32.145 31.823 0.127 0.000 0.995 384 V HN 1.095 nan 8.190 nan 0.000 0.467 385 N N 2.868 121.721 118.700 0.255 0.000 2.240 385 N HA 0.171 4.912 4.740 0.001 0.000 0.240 385 N C -0.637 175.075 175.510 0.337 0.000 1.277 385 N CA -0.470 52.746 53.050 0.277 0.000 0.873 385 N CB 0.672 39.289 38.487 0.217 0.000 1.222 385 N HN 0.551 nan 8.380 nan 0.000 0.507 386 Y N 1.834 122.223 120.300 0.147 0.000 2.470 386 Y HA 0.262 4.812 4.550 0.001 0.000 0.341 386 Y C -1.346 174.625 175.900 0.119 0.000 1.021 386 Y CA -1.292 56.868 58.100 0.101 0.000 1.025 386 Y CB 1.724 40.208 38.460 0.040 0.000 1.266 386 Y HN 0.111 nan 8.280 nan 0.000 0.448 387 D N 1.827 122.027 120.400 -0.334 0.000 2.501 387 D HA 0.303 4.944 4.640 0.001 0.000 0.224 387 D C 1.324 177.280 176.300 -0.574 0.000 1.202 387 D CA 0.409 54.234 54.000 -0.291 0.000 0.829 387 D CB 0.425 41.224 40.800 -0.001 0.000 1.023 387 D HN 1.018 nan 8.370 nan 0.000 0.499 388 G N 0.671 108.597 108.800 -1.458 0.000 2.213 388 G HA2 -0.335 3.625 3.960 0.001 0.000 0.236 388 G HA3 -0.335 3.625 3.960 0.001 0.000 0.236 388 G C 0.849 175.475 174.900 -0.456 0.000 0.991 388 G CA 0.484 44.994 45.100 -0.984 0.000 0.629 388 G HN 0.515 nan 8.290 nan 0.000 0.517 389 K N -0.564 119.627 120.400 -0.348 0.000 2.703 389 K HA 0.192 4.512 4.320 0.001 0.000 0.196 389 K C 0.293 176.935 176.600 0.070 0.000 1.457 389 K CA 0.394 56.669 56.287 -0.020 0.000 1.115 389 K CB 0.462 32.945 32.500 -0.028 0.000 1.661 389 K HN 0.353 nan 8.250 nan 0.000 0.552 390 N N 0.490 119.176 118.700 -0.023 0.000 2.328 390 N HA 0.245 4.986 4.740 0.001 0.000 0.299 390 N C -1.633 173.756 175.510 -0.202 0.000 1.179 390 N CA -0.709 52.265 53.050 -0.128 0.000 0.793 390 N CB 2.173 40.475 38.487 -0.309 0.000 1.366 390 N HN -0.081 nan 8.380 nan 0.000 0.493 391 K N 1.124 121.349 120.400 -0.291 0.000 2.123 391 K HA 0.451 4.772 4.320 0.001 0.000 0.259 391 K C -1.292 174.975 176.600 -0.555 0.000 0.960 391 K CA -0.531 55.633 56.287 -0.203 0.000 0.872 391 K CB 1.213 33.678 32.500 -0.058 0.000 1.079 391 K HN 0.429 nan 8.250 nan 0.000 0.440 392 Y N 0.369 120.724 120.300 0.092 0.000 2.536 392 Y HA 0.327 4.877 4.550 0.001 0.000 0.347 392 Y C 0.001 175.933 175.900 0.054 0.000 1.000 392 Y CA -0.961 57.176 58.100 0.062 0.000 1.051 392 Y CB 1.820 40.312 38.460 0.054 0.000 1.259 392 Y HN 0.386 nan 8.280 nan 0.000 0.468 393 K N 0.575 121.089 120.400 0.191 0.000 2.110 393 K HA 0.621 4.942 4.320 0.001 0.000 0.263 393 K C -1.067 175.598 176.600 0.109 0.000 0.975 393 K CA -0.334 56.021 56.287 0.114 0.000 0.895 393 K CB 0.967 33.513 32.500 0.076 0.000 1.060 393 K HN 0.732 nan 8.250 nan 0.000 0.448 394 T N 2.349 116.953 114.554 0.083 0.000 2.824 394 T HA 0.338 4.689 4.350 0.001 0.000 0.282 394 T C -1.181 173.557 174.700 0.062 0.000 0.993 394 T CA -0.616 61.529 62.100 0.076 0.000 0.967 394 T CB 1.419 70.338 68.868 0.085 0.000 0.960 394 T HN 0.257 nan 8.240 nan 0.000 0.441 395 V N 5.194 125.140 119.914 0.053 0.000 2.417 395 V HA 0.534 4.655 4.120 0.001 0.000 0.291 395 V C -0.342 175.776 176.094 0.040 0.000 1.024 395 V CA -0.715 61.611 62.300 0.043 0.000 0.861 395 V CB 1.294 33.137 31.823 0.034 0.000 0.985 395 V HN 0.771 nan 8.190 nan 0.000 0.436 396 I N 4.314 124.909 120.570 0.040 0.000 2.410 396 I HA 0.483 4.654 4.170 0.001 0.000 0.286 396 I C 1.029 177.149 176.117 0.004 0.000 1.009 396 I CA -0.365 60.947 61.300 0.020 0.000 1.111 396 I CB 1.721 39.735 38.000 0.023 0.000 1.262 396 I HN 0.704 nan 8.210 nan 0.000 0.443 397 G N 4.949 113.746 108.800 -0.005 0.000 2.583 397 G HA2 0.073 4.034 3.960 0.001 0.000 0.275 397 G HA3 0.073 4.034 3.960 0.001 0.000 0.275 397 G C -0.189 174.702 174.900 -0.015 0.000 1.342 397 G CA -0.412 44.685 45.100 -0.005 0.000 1.030 397 G HN 0.582 nan 8.290 nan 0.000 0.520 398 D N 0.572 120.968 120.400 -0.008 0.000 2.345 398 D HA 0.086 4.727 4.640 0.001 0.000 0.247 398 D C 0.355 176.648 176.300 -0.011 0.000 1.108 398 D CA 0.045 54.039 54.000 -0.009 0.000 0.894 398 D CB 0.678 41.477 40.800 -0.000 0.000 1.203 398 D HN 0.458 nan 8.370 nan 0.000 0.430 399 N N -0.274 118.418 118.700 -0.013 0.000 2.753 399 N HA -0.167 4.574 4.740 0.001 0.000 0.251 399 N C -0.225 175.291 175.510 0.009 0.000 1.097 399 N CA 0.251 53.303 53.050 0.003 0.000 0.786 399 N CB -1.206 37.289 38.487 0.014 0.000 1.137 399 N HN 0.190 nan 8.380 nan 0.000 0.566 400 V N 0.928 120.820 119.914 -0.037 0.000 2.811 400 V HA 0.190 4.310 4.120 0.001 0.000 0.302 400 V C 0.470 176.541 176.094 -0.037 0.000 1.063 400 V CA 0.050 62.328 62.300 -0.037 0.000 1.088 400 V CB 0.648 32.414 31.823 -0.094 0.000 0.982 400 V HN 0.188 nan 8.190 nan 0.000 0.485 401 F N 4.032 123.912 119.950 -0.116 0.000 2.366 401 F HA 0.511 5.039 4.527 0.001 0.000 0.366 401 F C -0.018 175.720 175.800 -0.103 0.000 1.096 401 F CA -0.572 57.364 58.000 -0.107 0.000 1.060 401 F CB 1.143 40.109 39.000 -0.056 0.000 1.282 401 F HN 0.253 nan 8.300 nan 0.000 0.450 402 V N 6.298 126.028 119.914 -0.308 0.000 2.338 402 V HA 0.291 4.412 4.120 0.001 0.000 0.255 402 V C 1.078 177.110 176.094 -0.104 0.000 1.082 402 V CA -0.524 61.678 62.300 -0.163 0.000 0.951 402 V CB 0.096 31.785 31.823 -0.224 0.000 1.102 402 V HN 0.865 nan 8.190 nan 0.000 0.489 403 G N 4.010 112.852 108.800 0.071 0.000 2.464 403 G HA2 0.140 4.100 3.960 0.001 0.000 0.231 403 G HA3 0.140 4.100 3.960 0.001 0.000 0.231 403 G C 0.435 175.381 174.900 0.075 0.000 1.267 403 G CA -0.231 44.942 45.100 0.122 0.000 0.863 403 G HN 0.677 nan 8.290 nan 0.000 0.559 404 S N 1.144 116.891 115.700 0.078 0.000 2.558 404 S HA 0.013 4.483 4.470 0.001 0.000 0.287 404 S C 1.191 175.829 174.600 0.063 0.000 1.321 404 S CA 0.110 58.348 58.200 0.064 0.000 1.048 404 S CB 0.348 63.576 63.200 0.047 0.000 0.844 404 S HN 0.799 nan 8.310 nan 0.000 0.512 405 N N 0.182 118.919 118.700 0.061 0.000 2.708 405 N HA -0.170 4.571 4.740 0.001 0.000 0.251 405 N C -0.140 175.405 175.510 0.060 0.000 1.123 405 N CA 1.079 54.162 53.050 0.055 0.000 0.739 405 N CB -1.562 36.948 38.487 0.039 0.000 1.113 405 N HN 0.774 nan 8.380 nan 0.000 0.561 406 S N -1.888 113.855 115.700 0.073 0.000 2.632 406 S HA 0.610 5.081 4.470 0.001 0.000 0.271 406 S C 0.315 174.962 174.600 0.079 0.000 1.260 406 S CA -0.348 57.895 58.200 0.071 0.000 1.010 406 S CB 2.187 65.431 63.200 0.075 0.000 0.965 406 S HN 0.117 nan 8.310 nan 0.000 0.534 407 T N 2.808 117.404 114.554 0.069 0.000 2.864 407 T HA 0.394 4.744 4.350 0.001 0.000 0.310 407 T C -0.518 174.225 174.700 0.072 0.000 1.040 407 T CA -0.537 61.606 62.100 0.072 0.000 0.977 407 T CB 0.167 69.068 68.868 0.055 0.000 0.976 407 T HN 0.510 nan 8.240 nan 0.000 0.459 408 I N 5.096 125.720 120.570 0.091 0.000 2.287 408 I HA 0.318 4.489 4.170 0.001 0.000 0.290 408 I C 0.280 176.448 176.117 0.084 0.000 1.069 408 I CA -0.656 60.695 61.300 0.086 0.000 1.237 408 I CB 0.153 38.217 38.000 0.107 0.000 1.418 408 I HN 0.598 nan 8.210 nan 0.000 0.481 409 I N 5.611 126.217 120.570 0.060 0.000 2.291 409 I HA 0.314 4.485 4.170 0.001 0.000 0.292 409 I C 1.061 177.201 176.117 0.039 0.000 1.064 409 I CA -0.369 60.963 61.300 0.053 0.000 1.269 409 I CB 0.791 38.806 38.000 0.025 0.000 1.418 409 I HN 0.572 nan 8.210 nan 0.000 0.485 410 A N 9.711 132.576 122.820 0.075 0.000 2.406 410 A HA 0.406 4.726 4.320 0.001 0.000 0.243 410 A C -2.181 175.385 177.584 -0.030 0.000 1.082 410 A CA -0.881 51.202 52.037 0.077 0.000 0.786 410 A CB -0.344 18.758 19.000 0.171 0.000 1.029 410 A HN 0.532 nan 8.150 nan 0.000 0.495 411 P HA 0.431 nan 4.420 nan 0.000 0.287 411 P C -0.773 176.531 177.300 0.007 0.000 1.294 411 P CA -0.004 63.112 63.100 0.026 0.000 0.776 411 P CB 0.885 32.610 31.700 0.042 0.000 0.889 412 V N 0.078 120.013 119.914 0.034 0.000 3.206 412 V HA 0.677 4.798 4.120 0.001 0.000 0.305 412 V C -1.035 175.079 176.094 0.034 0.000 1.257 412 V CA -1.143 61.172 62.300 0.025 0.000 1.057 412 V CB 2.372 34.209 31.823 0.023 0.000 1.075 412 V HN 0.543 nan 8.190 nan 0.000 0.443 413 E N 1.015 121.230 120.200 0.025 0.000 2.256 413 E HA 0.679 5.029 4.350 0.001 0.000 0.268 413 E C -1.835 174.777 176.600 0.020 0.000 0.877 413 E CA -0.864 55.551 56.400 0.025 0.000 0.757 413 E CB 2.178 31.890 29.700 0.020 0.000 1.183 413 E HN 0.813 nan 8.360 nan 0.000 0.418 414 L N 3.856 125.090 121.223 0.018 0.000 2.294 414 L HA 0.520 4.861 4.340 0.001 0.000 0.283 414 L C 0.722 177.595 176.870 0.005 0.000 1.015 414 L CA -0.932 53.915 54.840 0.011 0.000 0.831 414 L CB 1.545 43.607 42.059 0.005 0.000 1.217 414 L HN 0.626 nan 8.230 nan 0.000 0.420 415 G N 1.429 110.232 108.800 0.006 0.000 2.634 415 G HA2 0.153 4.113 3.960 0.001 0.000 0.255 415 G HA3 0.153 4.113 3.960 0.001 0.000 0.255 415 G C -0.325 174.576 174.900 0.001 0.000 1.205 415 G CA -0.574 44.529 45.100 0.004 0.000 0.884 415 G HN 0.568 nan 8.290 nan 0.000 0.549 416 D N 0.537 120.938 120.400 0.001 0.000 2.515 416 D HA -0.049 4.591 4.640 0.001 0.000 0.232 416 D C 0.967 177.269 176.300 0.003 0.000 1.157 416 D CA 0.559 54.559 54.000 0.000 0.000 0.871 416 D CB 0.318 41.118 40.800 0.001 0.000 1.200 416 D HN 0.456 nan 8.370 nan 0.000 0.466 417 N N -1.079 117.624 118.700 0.005 0.000 2.765 417 N HA -0.222 4.519 4.740 0.001 0.000 0.248 417 N C -0.001 175.519 175.510 0.017 0.000 1.063 417 N CA 1.221 54.279 53.050 0.012 0.000 0.862 417 N CB -1.760 36.731 38.487 0.005 0.000 1.145 417 N HN 0.535 nan 8.380 nan 0.000 0.581 418 S N 0.065 115.775 115.700 0.016 0.000 2.617 418 S HA 0.613 5.084 4.470 0.001 0.000 0.259 418 S C 0.336 174.966 174.600 0.049 0.000 1.301 418 S CA -0.714 57.499 58.200 0.021 0.000 0.984 418 S CB 2.122 65.331 63.200 0.015 0.000 0.954 418 S HN 0.384 nan 8.310 nan 0.000 0.572 419 L N 0.617 121.871 121.223 0.052 0.000 2.455 419 L HA 0.686 5.026 4.340 0.001 0.000 0.264 419 L C -1.718 175.200 176.870 0.079 0.000 0.968 419 L CA -0.857 54.043 54.840 0.099 0.000 0.827 419 L CB 1.923 44.024 42.059 0.069 0.000 1.317 419 L HN 0.617 nan 8.230 nan 0.000 0.407 420 V N 3.829 123.805 119.914 0.103 0.000 2.398 420 V HA 0.511 4.632 4.120 0.001 0.000 0.286 420 V C 0.857 177.011 176.094 0.099 0.000 1.026 420 V CA -0.261 62.085 62.300 0.077 0.000 0.868 420 V CB 1.444 33.304 31.823 0.062 0.000 0.982 420 V HN 0.902 nan 8.190 nan 0.000 0.443 421 G N 3.822 112.665 108.800 0.071 0.000 2.380 421 G HA2 0.424 4.385 3.960 0.001 0.000 0.242 421 G HA3 0.424 4.385 3.960 0.001 0.000 0.242 421 G C 0.480 175.425 174.900 0.076 0.000 1.298 421 G CA 0.279 45.421 45.100 0.070 0.000 0.878 421 G HN 1.184 nan 8.290 nan 0.000 0.542 422 A N 1.239 124.112 122.820 0.088 0.000 2.555 422 A HA 0.499 4.819 4.320 0.001 0.000 0.233 422 A C 1.801 179.417 177.584 0.054 0.000 1.060 422 A CA 1.215 53.300 52.037 0.078 0.000 0.759 422 A CB -0.269 18.778 19.000 0.079 0.000 0.995 422 A HN 2.657 nan 8.150 nan 0.000 0.506 423 G N 1.216 110.046 108.800 0.050 0.000 2.166 423 G HA2 -0.207 3.753 3.960 0.001 0.000 0.260 423 G HA3 -0.207 3.753 3.960 0.001 0.000 0.260 423 G C 0.433 175.354 174.900 0.035 0.000 0.986 423 G CA 0.599 45.722 45.100 0.038 0.000 0.683 423 G HN 1.205 nan 8.290 nan 0.000 0.527 424 S N -0.227 115.498 115.700 0.042 0.000 2.616 424 S HA 0.665 5.135 4.470 0.001 0.000 0.277 424 S C 0.297 174.920 174.600 0.038 0.000 1.234 424 S CA -0.044 58.178 58.200 0.037 0.000 1.028 424 S CB 1.682 64.905 63.200 0.039 0.000 0.988 424 S HN 0.331 nan 8.310 nan 0.000 0.522 425 T N 3.328 117.900 114.554 0.030 0.000 2.772 425 T HA 0.398 4.748 4.350 0.001 0.000 0.288 425 T C -0.488 174.228 174.700 0.027 0.000 0.994 425 T CA -0.454 61.664 62.100 0.030 0.000 0.951 425 T CB 0.140 69.022 68.868 0.023 0.000 0.933 425 T HN 0.274 nan 8.240 nan 0.000 0.447 426 I N 4.546 125.136 120.570 0.033 0.000 2.304 426 I HA 0.260 4.430 4.170 0.001 0.000 0.291 426 I C 1.669 177.798 176.117 0.021 0.000 1.018 426 I CA -0.472 60.845 61.300 0.028 0.000 1.260 426 I CB 0.797 38.818 38.000 0.036 0.000 1.390 426 I HN 0.748 nan 8.210 nan 0.000 0.475 427 T N 2.671 117.231 114.554 0.009 0.000 2.985 427 T HA 0.310 4.661 4.350 0.001 0.000 0.254 427 T C 0.648 175.342 174.700 -0.009 0.000 1.021 427 T CA 0.025 62.123 62.100 -0.003 0.000 0.957 427 T CB 0.444 69.307 68.868 -0.009 0.000 1.047 427 T HN 0.434 nan 8.240 nan 0.000 0.511 428 K N 1.217 121.616 120.400 -0.002 0.000 2.443 428 K HA 0.492 4.812 4.320 0.001 0.000 0.251 428 K C -1.316 175.286 176.600 0.004 0.000 0.972 428 K CA -1.065 55.219 56.287 -0.004 0.000 0.833 428 K CB 1.337 33.834 32.500 -0.004 0.000 1.317 428 K HN -0.011 nan 8.250 nan 0.000 0.441 429 D N 1.046 121.448 120.400 0.003 0.000 2.478 429 D HA 0.028 4.669 4.640 0.001 0.000 0.234 429 D C -0.498 175.807 176.300 0.008 0.000 1.154 429 D CA 0.347 54.352 54.000 0.008 0.000 0.874 429 D CB 0.751 41.555 40.800 0.006 0.000 1.198 429 D HN 0.008 nan 8.370 nan 0.000 0.455 430 V N 4.195 124.115 119.914 0.011 0.000 2.376 430 V HA 0.243 4.363 4.120 0.001 0.000 0.287 430 V C -1.984 174.115 176.094 0.008 0.000 1.015 430 V CA -1.516 60.791 62.300 0.010 0.000 0.834 430 V CB 1.721 33.552 31.823 0.014 0.000 1.001 430 V HN 0.445 nan 8.190 nan 0.000 0.428 431 P HA 0.159 nan 4.420 nan 0.000 0.270 431 P C -0.153 177.150 177.300 0.005 0.000 1.223 431 P CA -0.059 63.044 63.100 0.005 0.000 0.785 431 P CB 0.789 32.491 31.700 0.003 0.000 0.923 432 A N 1.851 124.673 122.820 0.004 0.000 2.540 432 A HA 0.063 4.384 4.320 0.001 0.000 0.239 432 A C 0.920 178.505 177.584 0.002 0.000 1.061 432 A CA 0.451 52.490 52.037 0.003 0.000 0.758 432 A CB -0.847 18.155 19.000 0.003 0.000 0.991 432 A HN 0.757 nan 8.150 nan 0.000 0.502 433 D N -1.418 118.983 120.400 0.002 0.000 3.028 433 D HA -0.202 4.439 4.640 0.001 0.000 0.207 433 D C 0.473 176.771 176.300 -0.002 0.000 1.100 433 D CA 1.591 55.590 54.000 -0.001 0.000 0.995 433 D CB -1.722 39.076 40.800 -0.003 0.000 1.108 433 D HN 1.064 nan 8.370 nan 0.000 0.421 434 A N 0.284 123.104 122.820 0.001 0.000 2.247 434 A HA 0.818 5.139 4.320 0.001 0.000 0.313 434 A C 0.409 177.995 177.584 0.004 0.000 1.109 434 A CA -0.486 51.552 52.037 0.001 0.000 0.890 434 A CB 1.016 20.018 19.000 0.003 0.000 1.239 434 A HN 0.361 nan 8.150 nan 0.000 0.506 435 I N -3.437 117.135 120.570 0.004 0.000 2.689 435 I HA 0.838 5.009 4.170 0.001 0.000 0.299 435 I C -0.394 175.731 176.117 0.012 0.000 1.059 435 I CA -0.965 60.341 61.300 0.009 0.000 1.055 435 I CB 2.233 40.233 38.000 0.001 0.000 1.243 435 I HN 0.686 nan 8.210 nan 0.000 0.425 436 A N 6.970 129.802 122.820 0.020 0.000 2.355 436 A HA 0.899 5.219 4.320 0.001 0.000 0.317 436 A C -0.855 176.743 177.584 0.023 0.000 1.094 436 A CA -0.635 51.414 52.037 0.019 0.000 0.764 436 A CB 1.113 20.126 19.000 0.022 0.000 1.230 436 A HN 0.734 nan 8.150 nan 0.000 0.448 437 I N 1.625 122.205 120.570 0.018 0.000 2.534 437 I HA 0.569 4.740 4.170 0.001 0.000 0.288 437 I C 0.361 176.488 176.117 0.015 0.000 1.077 437 I CA -0.532 60.780 61.300 0.019 0.000 1.051 437 I CB 2.676 40.684 38.000 0.014 0.000 1.234 437 I HN 0.782 nan 8.210 nan 0.000 0.425 438 G N 6.622 115.433 108.800 0.018 0.000 4.142 438 G HA2 0.505 4.465 3.960 0.001 0.000 0.310 438 G HA3 0.505 4.465 3.960 0.001 0.000 0.310 438 G C -0.663 174.247 174.900 0.016 0.000 1.384 438 G CA -0.471 44.638 45.100 0.015 0.000 0.838 438 G HN 0.674 nan 8.290 nan 0.000 0.512 439 R N -0.025 120.482 120.500 0.013 0.000 2.707 439 R HA 0.750 5.090 4.340 0.001 0.000 0.272 439 R C -0.060 176.244 176.300 0.007 0.000 1.011 439 R CA -0.876 55.231 56.100 0.012 0.000 0.893 439 R CB 0.931 31.241 30.300 0.015 0.000 1.233 439 R HN 0.279 nan 8.270 nan 0.000 0.464 440 G N 1.640 110.443 108.800 0.005 0.000 2.527 440 G HA2 0.248 4.208 3.960 0.001 0.000 0.248 440 G HA3 0.248 4.208 3.960 0.001 0.000 0.248 440 G C -0.365 174.535 174.900 -0.001 0.000 1.231 440 G CA -0.835 44.266 45.100 0.001 0.000 0.838 440 G HN 0.483 nan 8.290 nan 0.000 0.570 441 R N 0.742 121.240 120.500 -0.003 0.000 2.441 441 R HA 0.177 4.517 4.340 0.001 0.000 0.284 441 R C 0.354 176.648 176.300 -0.010 0.000 1.070 441 R CA -0.532 55.565 56.100 -0.006 0.000 1.047 441 R CB 1.092 31.388 30.300 -0.007 0.000 1.016 441 R HN 0.679 nan 8.270 nan 0.000 0.477 442 Q N 2.358 122.152 119.800 -0.011 0.000 2.364 442 Q HA 0.105 4.446 4.340 0.001 0.000 0.267 442 Q C -0.752 175.233 176.000 -0.025 0.000 0.999 442 Q CA 0.291 56.084 55.803 -0.017 0.000 0.886 442 Q CB 0.631 29.361 28.738 -0.014 0.000 1.243 442 Q HN 0.376 nan 8.270 nan 0.000 0.415 443 I N 3.816 124.365 120.570 -0.036 0.000 2.569 443 I HA 0.323 4.494 4.170 0.001 0.000 0.290 443 I C -0.957 175.115 176.117 -0.074 0.000 1.088 443 I CA -0.818 60.451 61.300 -0.052 0.000 1.047 443 I CB 1.797 39.763 38.000 -0.057 0.000 1.237 443 I HN 0.670 nan 8.210 nan 0.000 0.421 444 N N 5.725 124.374 118.700 -0.085 0.000 2.399 444 N HA 0.395 5.135 4.740 0.001 0.000 0.295 444 N C -0.555 174.844 175.510 -0.185 0.000 1.048 444 N CA -0.560 52.427 53.050 -0.106 0.000 0.886 444 N CB 1.871 40.318 38.487 -0.066 0.000 1.185 444 N HN 0.221 nan 8.380 nan 0.000 0.487 445 K N 1.641 121.871 120.400 -0.283 0.000 2.473 445 K HA 0.253 4.573 4.320 0.001 0.000 0.246 445 K C -0.889 175.532 176.600 -0.298 0.000 1.011 445 K CA -0.628 55.321 56.287 -0.563 0.000 0.984 445 K CB 1.078 32.769 32.500 -1.349 0.000 1.250 445 K HN 0.434 nan 8.250 nan 0.000 0.454 446 D N 2.775 123.106 120.400 -0.115 0.000 2.506 446 D HA -0.069 4.571 4.640 0.001 0.000 0.234 446 D C 0.892 177.282 176.300 0.151 0.000 1.143 446 D CA 0.922 54.934 54.000 0.020 0.000 0.871 446 D CB 0.674 41.491 40.800 0.029 0.000 1.190 446 D HN 0.404 nan 8.370 nan 0.000 0.459 447 E N 1.097 121.372 120.200 0.126 0.000 3.760 447 E HA -0.307 4.043 4.350 0.001 0.000 0.317 447 E C 1.303 178.006 176.600 0.172 0.000 0.730 447 E CA 0.962 57.434 56.400 0.119 0.000 1.106 447 E CB -1.471 28.279 29.700 0.083 0.000 1.574 447 E HN 0.613 nan 8.360 nan 0.000 0.451 448 Y N -0.132 120.160 120.300 -0.013 0.000 2.256 448 Y HA -0.112 4.438 4.550 0.001 0.000 0.288 448 Y C 2.594 178.494 175.900 0.001 0.000 1.155 448 Y CA 1.387 59.483 58.100 -0.006 0.000 1.203 448 Y CB -0.687 37.780 38.460 0.012 0.000 0.980 448 Y HN 0.289 nan 8.280 nan 0.000 0.530 449 A N -0.460 122.472 122.820 0.188 0.000 2.015 449 A HA -0.178 4.142 4.320 0.001 0.000 0.219 449 A C 2.292 179.844 177.584 -0.053 0.000 1.163 449 A CA 1.941 54.094 52.037 0.195 0.000 0.646 449 A CB -1.258 17.936 19.000 0.324 0.000 0.806 449 A HN 0.501 nan 8.150 nan 0.000 0.448 450 T N -2.527 111.844 114.554 -0.305 0.000 3.077 450 T HA -0.073 4.278 4.350 0.001 0.000 0.269 450 T C 1.284 175.806 174.700 -0.297 0.000 1.146 450 T CA 1.277 62.975 62.100 -0.669 0.000 1.091 450 T CB -0.360 68.208 68.868 -0.501 0.000 0.892 450 T HN 0.502 nan 8.240 nan 0.000 0.533 451 R N 0.351 120.764 120.500 -0.145 0.000 2.552 451 R HA 0.506 4.847 4.340 0.001 0.000 0.314 451 R C -0.479 175.808 176.300 -0.023 0.000 1.041 451 R CA -0.135 55.910 56.100 -0.092 0.000 1.076 451 R CB 0.264 30.492 30.300 -0.121 0.000 1.290 451 R HN 0.392 nan 8.270 nan 0.000 0.563 452 L N -0.753 120.478 121.223 0.014 0.000 2.388 452 L HA 0.431 4.772 4.340 0.001 0.000 0.264 452 L C -1.882 175.026 176.870 0.063 0.000 0.998 452 L CA -2.642 52.255 54.840 0.094 0.000 0.817 452 L CB 2.216 44.423 42.059 0.246 0.000 1.338 452 L HN -0.215 nan 8.230 nan 0.000 0.414 453 P HA -0.269 nan 4.420 nan 0.000 0.220 453 P C 1.322 178.651 177.300 0.047 0.000 1.155 453 P CA 1.689 64.826 63.100 0.062 0.000 0.880 453 P CB -0.142 31.604 31.700 0.076 0.000 0.790 454 H N -2.619 116.484 119.070 0.056 0.000 2.524 454 H HA -0.051 4.506 4.556 0.001 0.000 0.282 454 H C 0.804 176.159 175.328 0.045 0.000 1.016 454 H CA 0.603 56.675 56.048 0.041 0.000 1.270 454 H CB -1.338 28.445 29.762 0.035 0.000 1.394 454 H HN 0.226 nan 8.280 nan 0.000 0.568 455 H N 2.849 121.382 119.070 -0.894 0.000 2.886 455 H HA 0.030 4.587 4.556 0.001 0.000 0.329 455 H C -1.558 173.629 175.328 -0.235 0.000 1.044 455 H CA -1.426 54.264 56.048 -0.597 0.000 1.456 455 H CB 1.581 31.084 29.762 -0.432 0.000 1.464 455 H HN 0.108 nan 8.280 nan 0.000 0.573 456 P HA -0.188 nan 4.420 nan 0.000 0.217 456 P C 1.158 178.441 177.300 -0.029 0.000 1.151 456 P CA 1.889 64.857 63.100 -0.220 0.000 0.849 456 P CB 0.235 31.758 31.700 -0.295 0.000 0.787 457 K N -1.252 119.258 120.400 0.183 0.000 2.209 457 K HA -0.056 4.265 4.320 0.001 0.000 0.204 457 K C 0.640 177.286 176.600 0.076 0.000 1.048 457 K CA 0.876 57.266 56.287 0.171 0.000 0.940 457 K CB -0.326 32.303 32.500 0.215 0.000 0.729 457 K HN 0.193 nan 8.250 nan 0.000 0.451 458 N N 1.478 120.216 118.700 0.063 0.000 2.380 458 N HA 0.020 4.761 4.740 0.001 0.000 0.255 458 N C -0.527 174.985 175.510 0.003 0.000 1.158 458 N CA 0.137 53.197 53.050 0.017 0.000 0.878 458 N CB 0.721 39.212 38.487 0.007 0.000 1.138 458 N HN 0.392 nan 8.380 nan 0.000 0.509 459 Q N 0.000 119.799 119.800 -0.001 0.000 2.315 459 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 459 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 459 Q CB 0.000 28.731 28.738 -0.012 0.000 1.108 459 Q HN 0.000 nan 8.270 nan 0.000 0.481