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 1r7o_1_A DATA FIRST_RESID 42 DATA SEQUENCE VKPVTVKLVD SQATMETRSL FAFMQEQRRH SIMFGHQHET TQGLTITRTD DATA SEQUENCE GTQSDTFNAV GDFAAVYGWD TLSIVAPKAE GDIVAQVKKA YARGGIITVS DATA SEQUENCE SHFDNPKTDT QKGVWPVGTS WDQTPAVVDS LPGGAYNPVL NGYLDQVAEW DATA SEQUENCE ANNLKDEQGR LIPVIFRLYH ENTGSWFWWG DKQSTPEQYK QLFRYSVEYL DATA SEQUENCE RDVKGVRNFL YAYSPNNFWD VTEANYLERY PGDEWVDVLG FDTYGPVADN DATA SEQUENCE ADWFRNVVAN AALVARMAEA RGKIPVISEI GIRAPDIEAG LYDNQWYRKL DATA SEQUENCE ISGLKADPDA REIAFLLVWR XXXXXXXXXX XXXXXXXXXX XXXXXXINNG DATA SEQUENCE TLEDFQAFYA DEFTAFNRDI EQVYQRPTL 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 42 V HA 0.000 nan 4.120 nan 0.000 0.244 42 V C 0.000 176.115 176.094 0.035 0.000 1.182 42 V CA 0.000 62.320 62.300 0.033 0.000 1.235 42 V CB 0.000 31.851 31.823 0.046 0.000 1.184 43 K N 4.168 124.588 120.400 0.033 0.000 2.087 43 K HA 0.647 4.975 4.320 0.013 0.000 0.255 43 K C -2.708 173.916 176.600 0.041 0.000 0.988 43 K CA -1.922 54.385 56.287 0.033 0.000 0.915 43 K CB 0.937 33.453 32.500 0.027 0.000 1.043 43 K HN 0.649 nan 8.250 nan 0.000 0.457 44 P HA 0.041 nan 4.420 nan 0.000 0.268 44 P C -0.554 176.776 177.300 0.050 0.000 1.205 44 P CA -0.377 62.751 63.100 0.046 0.000 0.771 44 P CB 0.577 32.300 31.700 0.039 0.000 0.858 45 V N -0.255 119.696 119.914 0.062 0.000 3.040 45 V HA 0.677 4.804 4.120 0.013 0.000 0.312 45 V C -0.427 175.710 176.094 0.072 0.000 1.115 45 V CA -0.619 61.722 62.300 0.068 0.000 0.998 45 V CB 2.049 33.922 31.823 0.083 0.000 1.042 45 V HN 0.378 nan 8.190 nan 0.000 0.433 46 T N 3.134 117.729 114.554 0.068 0.000 2.799 46 T HA 0.670 5.028 4.350 0.013 0.000 0.286 46 T C -0.188 174.559 174.700 0.078 0.000 0.973 46 T CA -0.123 62.012 62.100 0.059 0.000 1.035 46 T CB 1.129 70.022 68.868 0.042 0.000 0.932 46 T HN 1.462 nan 8.240 nan 0.000 0.469 47 V N 1.163 121.107 119.914 0.051 0.000 2.735 47 V HA 0.726 4.853 4.120 0.013 0.000 0.310 47 V C -0.630 175.403 176.094 -0.101 0.000 1.061 47 V CA -1.150 61.155 62.300 0.009 0.000 0.913 47 V CB 1.931 33.770 31.823 0.027 0.000 1.005 47 V HN 0.794 nan 8.190 nan 0.000 0.428 48 K N 4.618 124.915 120.400 -0.172 0.000 2.449 48 K HA 0.663 4.990 4.320 0.013 0.000 0.257 48 K C -1.344 175.082 176.600 -0.290 0.000 0.989 48 K CA -0.625 55.565 56.287 -0.162 0.000 0.916 48 K CB 1.141 33.599 32.500 -0.070 0.000 1.136 48 K HN 0.876 nan 8.250 nan 0.000 0.439 49 L N 3.539 124.612 121.223 -0.250 0.000 2.332 49 L HA 0.341 4.689 4.340 0.013 0.000 0.269 49 L C 1.648 178.476 176.870 -0.071 0.000 1.016 49 L CA -0.958 53.754 54.840 -0.213 0.000 0.809 49 L CB 1.647 43.610 42.059 -0.160 0.000 1.280 49 L HN 0.371 nan 8.230 nan 0.000 0.447 50 V N -0.484 119.449 119.914 0.031 0.000 2.332 50 V HA -0.213 3.914 4.120 0.013 0.000 0.248 50 V C 0.649 176.753 176.094 0.016 0.000 1.055 50 V CA 1.672 63.990 62.300 0.030 0.000 1.038 50 V CB -0.481 31.458 31.823 0.193 0.000 0.651 50 V HN 0.803 nan 8.190 nan 0.000 0.450 51 D N -0.458 120.009 120.400 0.112 0.000 2.428 51 D HA 0.130 4.777 4.640 0.013 0.000 0.221 51 D C 1.294 177.607 176.300 0.022 0.000 1.123 51 D CA 0.520 54.573 54.000 0.088 0.000 0.869 51 D CB 1.250 42.157 40.800 0.177 0.000 1.032 51 D HN 0.278 nan 8.370 nan 0.000 0.506 52 S N 2.757 118.447 115.700 -0.016 0.000 2.547 52 S HA -0.135 4.343 4.470 0.013 0.000 0.235 52 S C 0.988 175.579 174.600 -0.013 0.000 0.980 52 S CA 0.643 58.826 58.200 -0.028 0.000 0.941 52 S CB -0.117 63.057 63.200 -0.043 0.000 0.763 52 S HN 0.604 nan 8.310 nan 0.000 0.532 53 Q N 0.661 120.460 119.800 -0.002 0.000 2.155 53 Q HA 0.506 4.853 4.340 0.013 0.000 0.220 53 Q C 0.284 176.289 176.000 0.009 0.000 0.819 53 Q CA -0.199 55.603 55.803 -0.001 0.000 1.032 53 Q CB 0.918 29.651 28.738 -0.008 0.000 1.151 53 Q HN 0.644 nan 8.270 nan 0.000 0.487 54 A N 1.506 124.340 122.820 0.024 0.000 2.507 54 A HA 0.209 4.536 4.320 0.013 0.000 0.235 54 A C 0.818 178.423 177.584 0.034 0.000 1.070 54 A CA -0.003 52.058 52.037 0.040 0.000 0.768 54 A CB 0.124 19.164 19.000 0.066 0.000 1.011 54 A HN 0.345 nan 8.150 nan 0.000 0.502 55 T N 0.156 114.730 114.554 0.034 0.000 2.802 55 T HA 0.247 4.605 4.350 0.013 0.000 0.305 55 T C 1.256 175.994 174.700 0.063 0.000 1.053 55 T CA 0.469 62.589 62.100 0.033 0.000 1.058 55 T CB 0.172 69.049 68.868 0.016 0.000 0.988 55 T HN 0.790 nan 8.240 nan 0.000 0.539 56 M N -0.387 119.250 119.600 0.062 0.000 2.229 56 M HA 0.032 4.519 4.480 0.013 0.000 0.264 56 M C 1.654 178.033 176.300 0.132 0.000 1.063 56 M CA 1.510 56.860 55.300 0.085 0.000 1.114 56 M CB -0.741 31.900 32.600 0.069 0.000 1.387 56 M HN 0.599 nan 8.290 nan 0.000 0.420 57 E N 1.117 121.406 120.200 0.148 0.000 2.152 57 E HA -0.071 4.287 4.350 0.013 0.000 0.192 57 E C 2.029 178.815 176.600 0.310 0.000 0.983 57 E CA 1.903 58.455 56.400 0.252 0.000 0.818 57 E CB -0.445 29.384 29.700 0.214 0.000 0.758 57 E HN 0.551 nan 8.360 nan 0.000 0.467 58 T N 0.276 114.957 114.554 0.213 0.000 2.812 58 T HA -0.063 4.294 4.350 0.013 0.000 0.264 58 T C 1.777 176.618 174.700 0.234 0.000 1.042 58 T CA 1.026 63.261 62.100 0.225 0.000 1.140 58 T CB -0.110 68.852 68.868 0.157 0.000 0.870 58 T HN 0.056 nan 8.240 nan 0.000 0.445 59 R N 0.932 121.540 120.500 0.179 0.000 2.081 59 R HA -0.030 4.318 4.340 0.013 0.000 0.235 59 R C 2.906 179.346 176.300 0.233 0.000 1.131 59 R CA 1.390 57.592 56.100 0.170 0.000 0.960 59 R CB -0.430 29.933 30.300 0.106 0.000 0.856 59 R HN 0.253 nan 8.270 nan 0.000 0.436 60 S N 0.729 116.559 115.700 0.217 0.000 2.383 60 S HA -0.107 4.371 4.470 0.013 0.000 0.227 60 S C 1.869 176.597 174.600 0.212 0.000 1.026 60 S CA 0.962 59.284 58.200 0.203 0.000 0.981 60 S CB -0.156 63.153 63.200 0.182 0.000 0.818 60 S HN 0.253 nan 8.310 nan 0.000 0.472 61 L N 0.784 122.144 121.223 0.227 0.000 2.042 61 L HA 0.038 4.386 4.340 0.013 0.000 0.210 61 L C 1.924 178.968 176.870 0.289 0.000 1.076 61 L CA 2.085 57.034 54.840 0.181 0.000 0.749 61 L CB -1.112 41.110 42.059 0.273 0.000 0.893 61 L HN 0.466 nan 8.230 nan 0.000 0.432 62 F N 0.283 120.339 119.950 0.176 0.000 2.102 62 F HA -0.148 4.386 4.527 0.011 0.000 0.298 62 F C 2.331 178.212 175.800 0.135 0.000 1.105 62 F CA 1.737 59.833 58.000 0.160 0.000 1.239 62 F CB -0.493 38.594 39.000 0.144 0.000 0.991 62 F HN 0.170 nan 8.300 nan 0.000 0.474 63 A N 0.029 123.063 122.820 0.357 0.000 1.933 63 A HA -0.228 4.100 4.320 0.013 0.000 0.218 63 A C 2.097 179.742 177.584 0.101 0.000 1.175 63 A CA 1.622 53.789 52.037 0.217 0.000 0.628 63 A CB -1.592 17.536 19.000 0.214 0.000 0.814 63 A HN 0.569 nan 8.150 nan 0.000 0.444 64 F N 0.387 120.342 119.950 0.009 0.000 2.069 64 F HA -0.203 4.331 4.527 0.013 0.000 0.298 64 F C 2.298 178.070 175.800 -0.046 0.000 1.113 64 F CA 2.237 60.216 58.000 -0.035 0.000 1.214 64 F CB -0.348 38.599 39.000 -0.089 0.000 0.978 64 F HN 0.160 nan 8.300 nan 0.000 0.474 65 M N -0.200 119.331 119.600 -0.114 0.000 2.213 65 M HA -0.240 4.247 4.480 0.013 0.000 0.263 65 M C 2.256 178.380 176.300 -0.294 0.000 1.062 65 M CA 1.572 56.737 55.300 -0.226 0.000 1.105 65 M CB -0.642 31.934 32.600 -0.041 0.000 1.385 65 M HN 0.307 nan 8.290 nan 0.000 0.417 66 Q N -0.105 119.525 119.800 -0.284 0.000 2.096 66 Q HA -0.244 4.103 4.340 0.013 0.000 0.204 66 Q C 1.959 177.863 176.000 -0.159 0.000 0.982 66 Q CA 1.649 57.318 55.803 -0.223 0.000 0.850 66 Q CB -0.046 28.601 28.738 -0.153 0.000 0.901 66 Q HN 0.388 nan 8.270 nan 0.000 0.422 67 E N 0.631 120.722 120.200 -0.181 0.000 2.042 67 E HA -0.174 4.183 4.350 0.013 0.000 0.189 67 E C 1.887 178.405 176.600 -0.136 0.000 0.974 67 E CA 1.096 57.421 56.400 -0.125 0.000 0.806 67 E CB -0.226 29.401 29.700 -0.122 0.000 0.769 67 E HN 0.160 nan 8.360 nan 0.000 0.451 68 Q N 1.386 120.936 119.800 -0.417 0.000 2.181 68 Q HA -0.235 4.112 4.340 0.013 0.000 0.205 68 Q C 2.079 177.949 176.000 -0.217 0.000 0.980 68 Q CA 2.143 57.691 55.803 -0.426 0.000 0.862 68 Q CB -0.377 27.764 28.738 -0.996 0.000 0.905 68 Q HN 0.462 nan 8.270 nan 0.000 0.429 69 R N -0.342 120.031 120.500 -0.212 0.000 2.193 69 R HA -0.048 4.300 4.340 0.013 0.000 0.229 69 R C 1.518 177.743 176.300 -0.124 0.000 1.110 69 R CA 1.000 57.006 56.100 -0.157 0.000 0.988 69 R CB -0.295 29.922 30.300 -0.138 0.000 0.871 69 R HN 0.128 nan 8.270 nan 0.000 0.458 70 R N -0.102 120.315 120.500 -0.138 0.000 2.334 70 R HA 0.128 4.475 4.340 0.013 0.000 0.220 70 R C 0.508 176.577 176.300 -0.383 0.000 0.917 70 R CA 0.150 56.128 56.100 -0.204 0.000 1.073 70 R CB 0.284 30.429 30.300 -0.258 0.000 1.056 70 R HN 0.461 nan 8.270 nan 0.000 0.506 71 H N -1.313 117.712 119.070 -0.074 0.000 3.241 71 H HA 0.204 4.768 4.556 0.013 0.000 0.260 71 H C 0.425 175.498 175.328 -0.424 0.000 1.084 71 H CA 0.364 56.368 56.048 -0.073 0.000 1.203 71 H CB 1.145 30.855 29.762 -0.087 0.000 1.524 71 H HN 0.117 nan 8.280 nan 0.000 0.521 72 S N 0.133 115.381 115.700 -0.753 0.000 2.636 72 S HA 0.485 4.963 4.470 0.013 0.000 0.266 72 S C -1.351 172.722 174.600 -0.877 0.000 1.147 72 S CA -0.918 56.568 58.200 -1.191 0.000 0.815 72 S CB 1.601 64.518 63.200 -0.471 0.000 1.119 72 S HN 0.067 nan 8.310 nan 0.000 0.470 73 I N 1.400 121.606 120.570 -0.608 0.000 2.410 73 I HA 0.350 4.528 4.170 0.013 0.000 0.286 73 I C -0.271 175.832 176.117 -0.024 0.000 1.009 73 I CA -0.672 60.533 61.300 -0.159 0.000 1.111 73 I CB 1.771 39.784 38.000 0.023 0.000 1.262 73 I HN 0.582 nan 8.210 nan 0.000 0.443 74 M N 5.287 124.934 119.600 0.079 0.000 2.238 74 M HA 0.230 4.718 4.480 0.013 0.000 0.347 74 M C -0.495 175.901 176.300 0.161 0.000 1.173 74 M CA -0.063 55.303 55.300 0.111 0.000 1.147 74 M CB 0.768 33.457 32.600 0.148 0.000 1.547 74 M HN 0.374 nan 8.290 nan 0.000 0.455 75 F N 1.514 121.368 119.950 -0.160 0.000 2.411 75 F HA 0.619 5.154 4.527 0.013 0.000 0.350 75 F C 0.260 175.949 175.800 -0.185 0.000 1.114 75 F CA -0.461 57.437 58.000 -0.170 0.000 1.135 75 F CB 0.711 39.309 39.000 -0.671 0.000 1.120 75 F HN 0.480 nan 8.300 nan 0.000 0.495 76 G N 4.422 112.715 108.800 -0.845 0.000 2.481 76 G HA2 0.420 4.387 3.960 0.013 0.000 0.315 76 G HA3 0.420 4.387 3.960 0.013 0.000 0.315 76 G C -2.109 172.230 174.900 -0.935 0.000 1.231 76 G CA -0.564 44.067 45.100 -0.782 0.000 0.968 76 G HN 0.849 nan 8.290 nan 0.000 0.482 77 H N 0.676 119.292 119.070 -0.756 0.000 2.966 77 H HA 0.314 4.878 4.556 0.012 0.000 0.347 77 H C -1.009 173.983 175.328 -0.561 0.000 1.048 77 H CA -0.646 55.071 56.048 -0.552 0.000 1.295 77 H CB 2.390 31.929 29.762 -0.371 0.000 1.744 77 H HN 0.479 nan 8.280 nan 0.000 0.513 78 Q N 2.502 121.764 119.800 -0.897 0.000 2.337 78 Q HA 0.065 4.412 4.340 0.013 0.000 0.270 78 Q C -0.215 174.976 176.000 -1.349 0.000 1.002 78 Q CA 0.748 55.783 55.803 -1.280 0.000 0.888 78 Q CB -0.032 27.633 28.738 -1.789 0.000 1.222 78 Q HN 0.890 nan 8.270 nan 0.000 0.400 79 H N 1.212 119.709 119.070 -0.955 0.000 2.820 79 H HA -0.258 4.306 4.556 0.013 0.000 0.295 79 H C 0.834 175.901 175.328 -0.435 0.000 1.187 79 H CA 0.514 56.202 56.048 -0.600 0.000 1.144 79 H CB -0.990 28.571 29.762 -0.336 0.000 1.354 79 H HN 0.800 nan 8.280 nan 0.000 0.395 80 E N 1.543 121.437 120.200 -0.510 0.000 2.113 80 E HA -0.220 4.138 4.350 0.013 0.000 0.210 80 E C 2.129 178.853 176.600 0.207 0.000 1.040 80 E CA 2.735 59.084 56.400 -0.085 0.000 0.847 80 E CB -0.104 29.461 29.700 -0.226 0.000 0.755 80 E HN 0.675 nan 8.360 nan 0.000 0.459 81 T N -3.624 111.122 114.554 0.320 0.000 3.134 81 T HA 0.183 4.540 4.350 0.013 0.000 0.260 81 T C 1.118 176.028 174.700 0.351 0.000 1.027 81 T CA 0.392 62.730 62.100 0.397 0.000 0.913 81 T CB 0.100 69.235 68.868 0.446 0.000 1.046 81 T HN 0.245 nan 8.240 nan 0.000 0.553 82 T N -1.911 112.862 114.554 0.365 0.000 2.959 82 T HA 0.354 4.712 4.350 0.013 0.000 0.254 82 T C 0.378 175.175 174.700 0.162 0.000 1.003 82 T CA -0.316 61.955 62.100 0.286 0.000 0.950 82 T CB 0.194 69.303 68.868 0.401 0.000 1.090 82 T HN 0.394 nan 8.240 nan 0.000 0.503 83 Q N -0.091 119.794 119.800 0.141 0.000 2.345 83 Q HA 0.666 5.014 4.340 0.013 0.000 0.275 83 Q C -1.042 175.021 176.000 0.105 0.000 1.063 83 Q CA -1.085 54.760 55.803 0.070 0.000 0.819 83 Q CB 2.573 31.296 28.738 -0.025 0.000 1.356 83 Q HN 0.496 nan 8.270 nan 0.000 0.418 84 G N 0.442 109.294 108.800 0.086 0.000 2.411 84 G HA2 0.277 4.244 3.960 0.013 0.000 0.295 84 G HA3 0.277 4.244 3.960 0.013 0.000 0.295 84 G C -0.357 174.579 174.900 0.060 0.000 1.542 84 G CA -0.798 44.360 45.100 0.096 0.000 0.814 84 G HN 0.544 nan 8.290 nan 0.000 0.557 85 L N 0.170 121.421 121.223 0.046 0.000 2.240 85 L HA 0.117 4.465 4.340 0.013 0.000 0.211 85 L C 2.672 179.554 176.870 0.021 0.000 1.106 85 L CA 1.777 56.632 54.840 0.024 0.000 0.793 85 L CB -0.018 42.047 42.059 0.009 0.000 0.927 85 L HN 0.728 nan 8.230 nan 0.000 0.446 86 T N -2.712 111.859 114.554 0.029 0.000 3.044 86 T HA 0.265 4.622 4.350 0.013 0.000 0.260 86 T C 0.607 175.332 174.700 0.042 0.000 1.019 86 T CA -0.486 61.630 62.100 0.026 0.000 0.921 86 T CB -0.257 68.621 68.868 0.017 0.000 1.053 86 T HN 0.196 nan 8.240 nan 0.000 0.533 87 I N 0.588 121.191 120.570 0.056 0.000 2.532 87 I HA 0.591 4.769 4.170 0.013 0.000 0.292 87 I C 1.063 177.211 176.117 0.051 0.000 1.014 87 I CA -0.702 60.638 61.300 0.066 0.000 1.340 87 I CB 1.735 39.792 38.000 0.095 0.000 1.422 87 I HN 0.076 nan 8.210 nan 0.000 0.528 88 T N 1.576 116.158 114.554 0.047 0.000 3.010 88 T HA 0.377 4.735 4.350 0.013 0.000 0.257 88 T C 0.699 175.422 174.700 0.038 0.000 1.020 88 T CA -0.272 61.850 62.100 0.037 0.000 0.938 88 T CB 0.074 68.960 68.868 0.030 0.000 1.049 88 T HN 0.731 nan 8.240 nan 0.000 0.522 89 R N 1.060 121.590 120.500 0.049 0.000 2.686 89 R HA 0.508 4.856 4.340 0.013 0.000 0.283 89 R C -0.073 176.269 176.300 0.070 0.000 0.978 89 R CA -0.266 55.864 56.100 0.050 0.000 0.897 89 R CB 1.744 32.071 30.300 0.044 0.000 1.192 89 R HN 0.250 nan 8.270 nan 0.000 0.457 90 T N -2.996 111.597 114.554 0.064 0.000 3.215 90 T HA 0.007 4.365 4.350 0.013 0.000 0.271 90 T C 0.497 175.243 174.700 0.077 0.000 1.012 90 T CA -0.386 61.764 62.100 0.084 0.000 0.899 90 T CB -0.128 68.781 68.868 0.068 0.000 1.089 90 T HN 0.601 nan 8.240 nan 0.000 0.552 91 D N 0.957 121.394 120.400 0.062 0.000 2.349 91 D HA 0.201 4.849 4.640 0.013 0.000 0.224 91 D C 1.651 177.978 176.300 0.044 0.000 1.029 91 D CA 0.477 54.499 54.000 0.038 0.000 0.879 91 D CB -0.609 40.205 40.800 0.022 0.000 0.906 91 D HN 0.576 nan 8.370 nan 0.000 0.528 92 G N 0.003 108.861 108.800 0.097 0.000 2.176 92 G HA2 -0.304 3.664 3.960 0.013 0.000 0.232 92 G HA3 -0.304 3.664 3.960 0.013 0.000 0.232 92 G C 1.019 175.971 174.900 0.086 0.000 0.986 92 G CA 0.642 45.810 45.100 0.114 0.000 0.643 92 G HN 0.568 nan 8.290 nan 0.000 0.522 93 T N -2.470 112.145 114.554 0.102 0.000 3.044 93 T HA 0.489 4.847 4.350 0.013 0.000 0.250 93 T C 0.731 175.565 174.700 0.224 0.000 1.081 93 T CA 1.017 63.183 62.100 0.110 0.000 1.040 93 T CB 0.463 69.363 68.868 0.053 0.000 0.962 93 T HN 0.554 nan 8.240 nan 0.000 0.506 94 Q N 0.983 120.938 119.800 0.258 0.000 2.451 94 Q HA 0.676 5.024 4.340 0.013 0.000 0.281 94 Q C -1.233 174.976 176.000 0.348 0.000 1.099 94 Q CA -0.984 54.953 55.803 0.224 0.000 0.806 94 Q CB 2.516 31.322 28.738 0.113 0.000 1.419 94 Q HN 0.411 nan 8.270 nan 0.000 0.427 95 S N -0.778 115.087 115.700 0.275 0.000 2.550 95 S HA 0.275 4.752 4.470 0.013 0.000 0.270 95 S C -0.450 174.260 174.600 0.184 0.000 1.145 95 S CA -0.712 57.659 58.200 0.286 0.000 0.852 95 S CB 1.388 64.847 63.200 0.432 0.000 1.119 95 S HN 0.530 nan 8.310 nan 0.000 0.465 96 D N 1.909 122.398 120.400 0.147 0.000 2.149 96 D HA -0.039 4.609 4.640 0.013 0.000 0.198 96 D C 1.757 178.061 176.300 0.008 0.000 0.990 96 D CA 1.998 56.029 54.000 0.051 0.000 0.839 96 D CB -0.582 40.223 40.800 0.008 0.000 0.948 96 D HN 0.711 nan 8.370 nan 0.000 0.460 97 T N 0.192 114.784 114.554 0.063 0.000 2.684 97 T HA -0.174 4.184 4.350 0.013 0.000 0.267 97 T C 1.769 176.514 174.700 0.075 0.000 1.036 97 T CA 0.778 62.957 62.100 0.132 0.000 1.148 97 T CB -0.553 68.524 68.868 0.349 0.000 0.863 97 T HN 0.152 nan 8.240 nan 0.000 0.436 98 F N 2.572 122.444 119.950 -0.131 0.000 2.134 98 F HA -0.112 4.422 4.527 0.012 0.000 0.299 98 F C 2.055 177.724 175.800 -0.217 0.000 1.097 98 F CA 1.028 58.835 58.000 -0.321 0.000 1.264 98 F CB -0.240 38.353 39.000 -0.678 0.000 1.001 98 F HN 0.054 nan 8.300 nan 0.000 0.479 99 N N 0.415 119.161 118.700 0.076 0.000 2.381 99 N HA -0.074 4.674 4.740 0.013 0.000 0.182 99 N C 1.768 177.225 175.510 -0.088 0.000 1.025 99 N CA 1.103 54.166 53.050 0.020 0.000 0.888 99 N CB -0.463 38.056 38.487 0.053 0.000 0.965 99 N HN 0.423 nan 8.380 nan 0.000 0.438 100 A N 0.019 122.775 122.820 -0.107 0.000 1.911 100 A HA 0.065 4.392 4.320 0.013 0.000 0.212 100 A C 1.869 179.328 177.584 -0.209 0.000 1.189 100 A CA 1.425 53.401 52.037 -0.101 0.000 0.639 100 A CB 0.062 19.050 19.000 -0.019 0.000 0.839 100 A HN 0.179 nan 8.150 nan 0.000 0.449 101 V N -5.831 113.853 119.914 -0.385 0.000 3.382 101 V HA 0.582 4.710 4.120 0.013 0.000 0.296 101 V C 1.096 176.627 176.094 -0.938 0.000 1.529 101 V CA 0.703 62.562 62.300 -0.734 0.000 1.048 101 V CB -0.371 30.773 31.823 -1.131 0.000 0.878 101 V HN 1.552 nan 8.190 nan 0.000 0.442 102 G N 0.230 108.481 108.800 -0.916 0.000 2.141 102 G HA2 -0.196 3.771 3.960 0.013 0.000 0.242 102 G HA3 -0.196 3.771 3.960 0.013 0.000 0.242 102 G C -0.251 173.929 174.900 -1.200 0.000 0.982 102 G CA 0.488 44.886 45.100 -1.170 0.000 0.662 102 G HN 0.816 nan 8.290 nan 0.000 0.527 103 D N -1.272 118.611 120.400 -0.862 0.000 2.602 103 D HA 0.640 5.287 4.640 0.013 0.000 0.236 103 D C -0.109 176.267 176.300 0.127 0.000 1.209 103 D CA -0.706 53.179 54.000 -0.191 0.000 0.831 103 D CB 0.946 41.804 40.800 0.097 0.000 1.478 103 D HN -0.078 nan 8.370 nan 0.000 0.438 104 F N 0.995 121.262 119.950 0.528 0.000 2.380 104 F HA 0.554 5.089 4.527 0.013 0.000 0.325 104 F C 1.395 177.445 175.800 0.417 0.000 1.136 104 F CA -0.550 57.719 58.000 0.448 0.000 1.171 104 F CB 0.613 39.858 39.000 0.408 0.000 1.230 104 F HN 0.311 nan 8.300 nan 0.000 0.554 105 A N 1.099 124.164 122.820 0.409 0.000 2.555 105 A HA 0.345 4.672 4.320 0.013 0.000 0.233 105 A C 1.109 178.652 177.584 -0.068 0.000 1.060 105 A CA 0.254 52.348 52.037 0.096 0.000 0.759 105 A CB -0.325 18.542 19.000 -0.221 0.000 0.995 105 A HN 1.016 nan 8.150 nan 0.000 0.506 106 A N 1.951 124.743 122.820 -0.048 0.000 1.970 106 A HA 0.333 4.661 4.320 0.013 0.000 0.216 106 A C 0.783 178.362 177.584 -0.008 0.000 1.170 106 A CA 1.356 53.425 52.037 0.052 0.000 0.645 106 A CB -0.180 18.863 19.000 0.072 0.000 0.816 106 A HN 0.886 nan 8.150 nan 0.000 0.447 107 V N 0.127 119.891 119.914 -0.250 0.000 2.448 107 V HA 0.392 4.519 4.120 0.013 0.000 0.295 107 V C -1.415 174.428 176.094 -0.419 0.000 1.025 107 V CA -0.617 61.498 62.300 -0.310 0.000 0.859 107 V CB 0.975 32.379 31.823 -0.699 0.000 0.988 107 V HN 0.358 nan 8.190 nan 0.000 0.431 108 Y N 2.514 122.618 120.300 -0.326 0.000 2.342 108 Y HA 0.674 5.231 4.550 0.012 0.000 0.338 108 Y C 0.824 176.349 175.900 -0.624 0.000 0.965 108 Y CA -0.626 57.163 58.100 -0.519 0.000 1.159 108 Y CB 1.846 40.039 38.460 -0.445 0.000 1.157 108 Y HN 0.698 nan 8.280 nan 0.000 0.486 109 G N 3.554 111.939 108.800 -0.692 0.000 2.343 109 G HA2 0.450 4.417 3.960 0.013 0.000 0.319 109 G HA3 0.450 4.417 3.960 0.013 0.000 0.319 109 G C -1.071 173.336 174.900 -0.823 0.000 1.126 109 G CA -0.315 44.433 45.100 -0.587 0.000 0.889 109 G HN 0.534 nan 8.290 nan 0.000 0.457 110 W N 0.093 121.258 121.300 -0.224 0.000 3.274 110 W HA 0.490 5.157 4.660 0.012 0.000 0.353 110 W C -0.613 175.741 176.519 -0.275 0.000 1.147 110 W CA -0.374 56.835 57.345 -0.226 0.000 1.054 110 W CB 2.215 31.619 29.460 -0.093 0.000 1.510 110 W HN 0.773 nan 8.180 nan 0.000 0.602 111 D N -2.982 117.411 120.400 -0.013 0.000 2.664 111 D HA 0.265 4.913 4.640 0.013 0.000 0.292 111 D C 0.391 176.545 176.300 -0.244 0.000 1.214 111 D CA -0.368 53.449 54.000 -0.304 0.000 0.932 111 D CB 1.156 41.487 40.800 -0.782 0.000 1.420 111 D HN 0.123 nan 8.370 nan 0.000 0.471 112 T N -1.866 112.521 114.554 -0.278 0.000 3.160 112 T HA 0.033 4.391 4.350 0.013 0.000 0.257 112 T C 1.543 176.211 174.700 -0.053 0.000 1.147 112 T CA 0.191 62.209 62.100 -0.138 0.000 1.064 112 T CB -0.566 68.308 68.868 0.009 0.000 0.949 112 T HN 0.391 nan 8.240 nan 0.000 0.526 113 L N 0.785 121.995 121.223 -0.020 0.000 2.456 113 L HA 0.059 4.406 4.340 0.013 0.000 0.224 113 L C 2.147 179.021 176.870 0.006 0.000 1.148 113 L CA 0.580 55.453 54.840 0.054 0.000 0.825 113 L CB -0.402 41.743 42.059 0.144 0.000 0.937 113 L HN 0.298 nan 8.230 nan 0.000 0.450 114 S N -0.989 114.671 115.700 -0.066 0.000 2.557 114 S HA 0.299 4.776 4.470 0.013 0.000 0.223 114 S C 1.467 175.947 174.600 -0.201 0.000 0.969 114 S CA 0.002 58.134 58.200 -0.113 0.000 0.927 114 S CB 0.478 63.590 63.200 -0.147 0.000 0.806 114 S HN 0.299 nan 8.310 nan 0.000 0.489 115 I N -0.698 119.736 120.570 -0.226 0.000 3.990 115 I HA 0.176 4.353 4.170 0.013 0.000 0.275 115 I C -0.257 175.802 176.117 -0.096 0.000 1.157 115 I CA 0.267 61.376 61.300 -0.318 0.000 1.338 115 I CB 0.468 38.088 38.000 -0.633 0.000 1.588 115 I HN -0.052 nan 8.210 nan 0.000 0.441 116 V N 2.897 122.792 119.914 -0.032 0.000 2.498 116 V HA 0.467 4.595 4.120 0.013 0.000 0.279 116 V C 0.573 176.686 176.094 0.031 0.000 1.048 116 V CA -0.996 61.322 62.300 0.031 0.000 0.967 116 V CB 1.103 32.955 31.823 0.049 0.000 0.988 116 V HN 0.304 nan 8.190 nan 0.000 0.473 117 A N 7.511 130.363 122.820 0.052 0.000 2.587 117 A HA 0.254 4.581 4.320 0.013 0.000 0.235 117 A C -0.819 176.799 177.584 0.057 0.000 1.044 117 A CA -0.371 51.701 52.037 0.057 0.000 0.754 117 A CB -0.190 18.852 19.000 0.070 0.000 0.968 117 A HN 0.806 nan 8.150 nan 0.000 0.509 118 P HA 0.115 nan 4.420 nan 0.000 0.256 118 P C -0.502 176.828 177.300 0.050 0.000 1.384 118 P CA -0.195 62.940 63.100 0.058 0.000 0.879 118 P CB -0.183 31.556 31.700 0.066 0.000 1.403 119 K N -0.147 120.279 120.400 0.043 0.000 3.419 119 K HA -0.186 4.141 4.320 0.013 0.000 0.272 119 K C 1.043 177.664 176.600 0.036 0.000 0.973 119 K CA 0.170 56.473 56.287 0.027 0.000 0.749 119 K CB -1.744 30.765 32.500 0.015 0.000 1.403 119 K HN 0.248 nan 8.250 nan 0.000 0.456 120 A N 0.787 123.642 122.820 0.058 0.000 2.019 120 A HA -0.187 4.141 4.320 0.013 0.000 0.219 120 A C 1.732 179.344 177.584 0.046 0.000 1.164 120 A CA 1.454 53.529 52.037 0.063 0.000 0.644 120 A CB -0.058 19.000 19.000 0.097 0.000 0.805 120 A HN 0.597 nan 8.150 nan 0.000 0.449 121 E N -1.017 119.208 120.200 0.042 0.000 2.489 121 E HA 0.340 4.697 4.350 0.013 0.000 0.193 121 E C 0.819 177.422 176.600 0.004 0.000 1.057 121 E CA 0.130 56.543 56.400 0.022 0.000 0.866 121 E CB -0.095 29.629 29.700 0.040 0.000 0.916 121 E HN 0.706 nan 8.360 nan 0.000 0.500 122 G N 1.734 110.534 108.800 0.001 0.000 2.787 122 G HA2 -0.202 3.766 3.960 0.013 0.000 0.685 122 G HA3 -0.202 3.766 3.960 0.013 0.000 0.685 122 G C -0.712 174.166 174.900 -0.038 0.000 1.437 122 G CA -0.686 44.407 45.100 -0.011 0.000 0.872 122 G HN 0.110 nan 8.290 nan 0.000 0.566 123 D N -0.435 119.946 120.400 -0.032 0.000 2.378 123 D HA 0.325 4.973 4.640 0.013 0.000 0.238 123 D C 1.697 177.931 176.300 -0.111 0.000 1.180 123 D CA 1.058 55.035 54.000 -0.038 0.000 0.895 123 D CB 0.785 41.587 40.800 0.003 0.000 1.192 123 D HN 0.803 nan 8.370 nan 0.000 0.438 124 I N -1.812 118.674 120.570 -0.139 0.000 4.310 124 I HA 0.063 4.240 4.170 0.013 0.000 0.328 124 I C 1.290 177.255 176.117 -0.254 0.000 1.406 124 I CA -0.346 60.732 61.300 -0.370 0.000 1.174 124 I CB 0.398 37.918 38.000 -0.799 0.000 1.279 124 I HN 0.038 nan 8.210 nan 0.000 0.471 125 V N 2.242 122.123 119.914 -0.056 0.000 2.282 125 V HA -0.314 3.814 4.120 0.013 0.000 0.249 125 V C 3.100 179.093 176.094 -0.168 0.000 1.057 125 V CA 2.705 64.940 62.300 -0.108 0.000 1.032 125 V CB -0.896 30.867 31.823 -0.100 0.000 0.645 125 V HN 0.658 nan 8.190 nan 0.000 0.447 126 A N -0.797 121.939 122.820 -0.140 0.000 1.902 126 A HA -0.275 4.052 4.320 0.013 0.000 0.217 126 A C 2.127 179.626 177.584 -0.142 0.000 1.181 126 A CA 2.012 53.976 52.037 -0.121 0.000 0.623 126 A CB -0.480 18.469 19.000 -0.086 0.000 0.818 126 A HN 0.588 nan 8.150 nan 0.000 0.443 127 Q N -0.548 119.134 119.800 -0.196 0.000 2.123 127 Q HA -0.034 4.314 4.340 0.013 0.000 0.199 127 Q C 2.051 177.917 176.000 -0.223 0.000 0.966 127 Q CA 1.451 57.144 55.803 -0.184 0.000 0.845 127 Q CB -0.473 28.138 28.738 -0.213 0.000 0.907 127 Q HN 0.428 nan 8.270 nan 0.000 0.439 128 V N 0.963 120.657 119.914 -0.367 0.000 2.295 128 V HA -0.303 3.825 4.120 0.013 0.000 0.246 128 V C 1.920 177.933 176.094 -0.135 0.000 1.049 128 V CA 1.933 64.108 62.300 -0.208 0.000 1.024 128 V CB -0.409 31.306 31.823 -0.180 0.000 0.648 128 V HN 0.323 nan 8.190 nan 0.000 0.447 129 K N -0.143 120.168 120.400 -0.148 0.000 2.097 129 K HA -0.182 4.145 4.320 0.013 0.000 0.206 129 K C 2.248 178.806 176.600 -0.070 0.000 1.049 129 K CA 1.398 57.629 56.287 -0.094 0.000 0.933 129 K CB -0.209 32.226 32.500 -0.108 0.000 0.717 129 K HN 0.403 nan 8.250 nan 0.000 0.442 130 K N 0.370 120.706 120.400 -0.107 0.000 2.057 130 K HA -0.105 4.222 4.320 0.013 0.000 0.207 130 K C 2.220 178.702 176.600 -0.197 0.000 1.049 130 K CA 1.246 57.458 56.287 -0.126 0.000 0.931 130 K CB -0.123 32.307 32.500 -0.117 0.000 0.714 130 K HN 0.130 nan 8.250 nan 0.000 0.440 131 A N 0.600 123.252 122.820 -0.280 0.000 1.902 131 A HA -0.202 4.125 4.320 0.013 0.000 0.217 131 A C 2.048 179.469 177.584 -0.272 0.000 1.181 131 A CA 1.275 52.977 52.037 -0.558 0.000 0.623 131 A CB -0.746 17.616 19.000 -1.064 0.000 0.818 131 A HN 0.385 nan 8.150 nan 0.000 0.443 132 Y N 0.684 120.824 120.300 -0.267 0.000 2.224 132 Y HA -0.057 4.501 4.550 0.012 0.000 0.289 132 Y C 2.619 178.426 175.900 -0.155 0.000 1.146 132 Y CA 0.836 58.814 58.100 -0.204 0.000 1.182 132 Y CB -0.553 37.761 38.460 -0.244 0.000 0.983 132 Y HN 0.304 nan 8.280 nan 0.000 0.524 133 A N 0.045 122.783 122.820 -0.136 0.000 2.019 133 A HA -0.161 4.167 4.320 0.013 0.000 0.219 133 A C 2.259 179.757 177.584 -0.143 0.000 1.164 133 A CA 1.438 53.375 52.037 -0.167 0.000 0.644 133 A CB -0.563 18.379 19.000 -0.096 0.000 0.805 133 A HN 0.468 nan 8.150 nan 0.000 0.449 134 R N -1.399 119.030 120.500 -0.118 0.000 2.323 134 R HA 0.112 4.459 4.340 0.013 0.000 0.198 134 R C 1.226 177.521 176.300 -0.009 0.000 0.988 134 R CA 0.594 56.666 56.100 -0.046 0.000 1.041 134 R CB -0.208 30.063 30.300 -0.049 0.000 0.926 134 R HN 0.699 nan 8.270 nan 0.000 0.476 135 G N -0.163 108.596 108.800 -0.069 0.000 2.143 135 G HA2 -0.240 3.727 3.960 0.013 0.000 0.248 135 G HA3 -0.240 3.727 3.960 0.013 0.000 0.248 135 G C 0.338 175.306 174.900 0.114 0.000 0.991 135 G CA -0.059 45.041 45.100 -0.001 0.000 0.689 135 G HN 0.543 nan 8.290 nan 0.000 0.522 136 G N -0.882 107.999 108.800 0.135 0.000 2.634 136 G HA2 0.568 4.535 3.960 0.013 0.000 0.255 136 G HA3 0.568 4.535 3.960 0.013 0.000 0.255 136 G C 0.079 175.168 174.900 0.316 0.000 1.205 136 G CA -0.534 44.721 45.100 0.258 0.000 0.884 136 G HN 0.649 nan 8.290 nan 0.000 0.549 137 I N 0.613 121.368 120.570 0.308 0.000 2.441 137 I HA 0.284 4.461 4.170 0.013 0.000 0.295 137 I C -0.533 175.719 176.117 0.226 0.000 0.994 137 I CA -0.745 60.718 61.300 0.271 0.000 1.144 137 I CB 1.899 39.973 38.000 0.124 0.000 1.314 137 I HN 0.074 nan 8.210 nan 0.000 0.445 138 I N 4.330 125.030 120.570 0.216 0.000 2.404 138 I HA 0.391 4.569 4.170 0.013 0.000 0.293 138 I C 0.103 176.306 176.117 0.143 0.000 0.992 138 I CA -0.349 61.077 61.300 0.209 0.000 1.149 138 I CB 1.389 39.530 38.000 0.235 0.000 1.315 138 I HN 0.471 nan 8.210 nan 0.000 0.446 139 T N 5.691 120.299 114.554 0.090 0.000 2.886 139 T HA 0.706 5.063 4.350 0.013 0.000 0.292 139 T C -1.176 173.559 174.700 0.058 0.000 1.012 139 T CA -0.338 61.792 62.100 0.051 0.000 0.982 139 T CB 1.436 70.300 68.868 -0.006 0.000 1.018 139 T HN 0.271 nan 8.240 nan 0.000 0.451 140 V N 4.739 124.678 119.914 0.042 0.000 2.531 140 V HA 0.639 4.766 4.120 0.013 0.000 0.301 140 V C 0.012 176.007 176.094 -0.164 0.000 1.034 140 V CA -0.877 61.429 62.300 0.010 0.000 0.865 140 V CB 2.091 33.964 31.823 0.083 0.000 0.995 140 V HN 1.072 nan 8.190 nan 0.000 0.424 141 S N 2.571 118.116 115.700 -0.258 0.000 2.525 141 S HA 0.634 5.112 4.470 0.013 0.000 0.290 141 S C 0.040 174.316 174.600 -0.540 0.000 1.152 141 S CA -0.582 57.360 58.200 -0.429 0.000 1.072 141 S CB 1.624 64.681 63.200 -0.239 0.000 1.027 141 S HN 1.000 nan 8.310 nan 0.000 0.500 142 S N 1.411 116.639 115.700 -0.787 0.000 2.528 142 S HA 0.322 4.800 4.470 0.013 0.000 0.277 142 S C -0.718 173.653 174.600 -0.381 0.000 1.297 142 S CA -0.422 57.227 58.200 -0.917 0.000 1.052 142 S CB -0.223 61.977 63.200 -1.666 0.000 0.917 142 S HN 0.800 nan 8.310 nan 0.000 0.492 143 H N 2.161 120.934 119.070 -0.495 0.000 2.535 143 H HA 0.356 4.919 4.556 0.012 0.000 0.232 143 H C -0.852 174.526 175.328 0.083 0.000 1.405 143 H CA -1.474 54.489 56.048 -0.141 0.000 1.224 143 H CB -0.581 29.199 29.762 0.030 0.000 1.763 143 H HN 0.638 nan 8.280 nan 0.000 0.529 144 F N 0.957 121.027 119.950 0.202 0.000 2.518 144 F HA 0.035 4.569 4.527 0.012 0.000 0.359 144 F C 1.021 177.069 175.800 0.412 0.000 1.118 144 F CA -0.548 57.566 58.000 0.190 0.000 1.287 144 F CB 0.765 40.023 39.000 0.430 0.000 1.132 144 F HN 0.177 nan 8.300 nan 0.000 0.587 145 D N 1.397 121.942 120.400 0.241 0.000 2.364 145 D HA -0.119 4.529 4.640 0.013 0.000 0.236 145 D C 0.103 176.611 176.300 0.346 0.000 1.221 145 D CA 0.149 54.304 54.000 0.259 0.000 0.891 145 D CB 0.338 41.173 40.800 0.058 0.000 1.190 145 D HN 0.357 nan 8.370 nan 0.000 0.449 146 N N 1.139 119.860 118.700 0.036 0.000 2.405 146 N HA 0.049 4.797 4.740 0.013 0.000 0.260 146 N C -1.984 173.276 175.510 -0.417 0.000 1.152 146 N CA -1.456 51.240 53.050 -0.589 0.000 0.948 146 N CB 1.255 39.536 38.487 -0.343 0.000 1.111 146 N HN -0.016 nan 8.380 nan 0.000 0.485 147 P HA -0.077 nan 4.420 nan 0.000 0.222 147 P C 0.937 177.936 177.300 -0.502 0.000 1.147 147 P CA 1.119 63.999 63.100 -0.366 0.000 0.790 147 P CB 0.374 31.831 31.700 -0.405 0.000 0.780 148 K N -0.289 119.680 120.400 -0.718 0.000 2.305 148 K HA -0.003 4.324 4.320 0.013 0.000 0.199 148 K C 1.045 177.184 176.600 -0.767 0.000 1.047 148 K CA 1.484 57.060 56.287 -1.183 0.000 0.976 148 K CB 0.044 32.083 32.500 -0.769 0.000 0.765 148 K HN 0.160 nan 8.250 nan 0.000 0.474 149 T N -2.002 112.303 114.554 -0.415 0.000 3.144 149 T HA 0.021 4.379 4.350 0.013 0.000 0.290 149 T C 0.807 175.440 174.700 -0.113 0.000 0.966 149 T CA -0.050 61.916 62.100 -0.223 0.000 0.907 149 T CB 0.173 68.944 68.868 -0.163 0.000 1.152 149 T HN 0.207 nan 8.240 nan 0.000 0.532 150 D N 2.498 122.846 120.400 -0.086 0.000 2.310 150 D HA -0.142 4.505 4.640 0.013 0.000 0.212 150 D C 1.806 178.126 176.300 0.033 0.000 0.965 150 D CA 1.531 55.539 54.000 0.013 0.000 0.879 150 D CB -0.826 40.035 40.800 0.102 0.000 0.921 150 D HN 0.549 nan 8.370 nan 0.000 0.510 151 T N -2.989 111.576 114.554 0.017 0.000 3.118 151 T HA -0.048 4.309 4.350 0.013 0.000 0.260 151 T C 1.384 176.099 174.700 0.025 0.000 1.139 151 T CA 0.385 62.504 62.100 0.032 0.000 1.085 151 T CB -0.050 68.840 68.868 0.036 0.000 0.934 151 T HN 0.012 nan 8.240 nan 0.000 0.518 152 Q N 0.702 120.508 119.800 0.010 0.000 2.280 152 Q HA 0.255 4.602 4.340 0.013 0.000 0.201 152 Q C 0.125 176.138 176.000 0.022 0.000 0.890 152 Q CA 0.042 55.851 55.803 0.010 0.000 0.947 152 Q CB 0.218 28.950 28.738 -0.010 0.000 1.081 152 Q HN 0.608 nan 8.270 nan 0.000 0.502 153 K N 0.200 120.623 120.400 0.037 0.000 2.524 153 K HA 0.098 4.426 4.320 0.013 0.000 0.279 153 K C 0.813 177.451 176.600 0.063 0.000 0.993 153 K CA 0.879 57.201 56.287 0.058 0.000 1.030 153 K CB 0.441 32.989 32.500 0.080 0.000 0.891 153 K HN 0.280 nan 8.250 nan 0.000 0.488 154 G N 1.379 110.225 108.800 0.078 0.000 4.308 154 G HA2 -0.065 3.902 3.960 0.013 0.000 0.198 154 G HA3 -0.065 3.902 3.960 0.013 0.000 0.198 154 G C -0.784 174.177 174.900 0.102 0.000 0.980 154 G CA -0.523 44.624 45.100 0.079 0.000 0.961 154 G HN 0.387 nan 8.290 nan 0.000 0.318 155 V N 2.086 122.055 119.914 0.092 0.000 2.348 155 V HA 0.441 4.569 4.120 0.013 0.000 0.270 155 V C -0.128 176.056 176.094 0.150 0.000 1.037 155 V CA -0.743 61.625 62.300 0.114 0.000 0.872 155 V CB 0.818 32.685 31.823 0.073 0.000 1.002 155 V HN 0.402 nan 8.190 nan 0.000 0.464 156 W N 9.125 130.445 121.300 0.033 0.000 2.231 156 W HA 0.271 4.938 4.660 0.013 0.000 0.341 156 W C -1.181 175.359 176.519 0.034 0.000 1.298 156 W CA -0.985 56.386 57.345 0.043 0.000 1.266 156 W CB 0.905 30.378 29.460 0.023 0.000 1.172 156 W HN 0.446 nan 8.180 nan 0.000 0.568 157 P HA 0.062 nan 4.420 nan 0.000 0.263 157 P C -0.536 176.487 177.300 -0.461 0.000 1.448 157 P CA -0.031 62.293 63.100 -1.293 0.000 0.983 157 P CB -0.009 30.751 31.700 -1.566 0.000 1.481 158 V N 1.257 121.050 119.914 -0.201 0.000 2.644 158 V HA 0.181 4.308 4.120 0.013 0.000 0.305 158 V C 1.856 177.926 176.094 -0.040 0.000 1.053 158 V CA 1.902 64.150 62.300 -0.086 0.000 1.186 158 V CB -0.439 31.364 31.823 -0.034 0.000 0.895 158 V HN 0.602 nan 8.190 nan 0.000 0.490 159 G N 3.438 112.222 108.800 -0.027 0.000 2.179 159 G HA2 -0.256 3.712 3.960 0.013 0.000 0.260 159 G HA3 -0.256 3.712 3.960 0.013 0.000 0.260 159 G C 0.363 175.305 174.900 0.070 0.000 0.977 159 G CA 0.609 45.712 45.100 0.005 0.000 0.641 159 G HN 1.204 nan 8.290 nan 0.000 0.533 160 T N -2.809 111.803 114.554 0.097 0.000 2.893 160 T HA 0.697 5.055 4.350 0.013 0.000 0.279 160 T C 1.575 176.473 174.700 0.330 0.000 0.991 160 T CA 0.838 63.072 62.100 0.223 0.000 0.950 160 T CB 1.292 70.319 68.868 0.265 0.000 1.223 160 T HN 0.304 nan 8.240 nan 0.000 0.585 161 S N -0.451 115.463 115.700 0.357 0.000 2.387 161 S HA -0.098 4.379 4.470 0.013 0.000 0.230 161 S C 1.257 175.916 174.600 0.099 0.000 1.035 161 S CA 1.502 59.821 58.200 0.197 0.000 1.014 161 S CB -0.609 62.440 63.200 -0.253 0.000 0.836 161 S HN 0.792 nan 8.310 nan 0.000 0.466 162 W N 1.711 123.136 121.300 0.209 0.000 3.180 162 W HA 0.225 4.893 4.660 0.014 0.000 0.254 162 W C 0.441 176.907 176.519 -0.088 0.000 1.318 162 W CA -0.623 56.764 57.345 0.071 0.000 1.608 162 W CB -0.085 29.317 29.460 -0.097 0.000 1.124 162 W HN 0.081 nan 8.180 nan 0.000 0.694 163 D N 1.048 121.532 120.400 0.139 0.000 2.344 163 D HA -0.014 4.634 4.640 0.013 0.000 0.253 163 D C 0.937 177.302 176.300 0.109 0.000 1.255 163 D CA 0.379 54.412 54.000 0.054 0.000 0.894 163 D CB 0.883 41.694 40.800 0.018 0.000 1.067 163 D HN 0.223 nan 8.370 nan 0.000 0.492 164 Q N 1.679 121.514 119.800 0.058 0.000 2.515 164 Q HA -0.001 4.347 4.340 0.013 0.000 0.212 164 Q C 0.271 176.303 176.000 0.053 0.000 0.970 164 Q CA 0.382 56.211 55.803 0.044 0.000 0.941 164 Q CB 0.160 28.905 28.738 0.010 0.000 0.998 164 Q HN 0.451 nan 8.270 nan 0.000 0.518 165 T N 3.938 118.517 114.554 0.042 0.000 2.778 165 T HA 0.028 4.385 4.350 0.013 0.000 0.282 165 T C -2.391 172.343 174.700 0.056 0.000 0.983 165 T CA -0.792 61.319 62.100 0.018 0.000 1.193 165 T CB 0.229 69.078 68.868 -0.032 0.000 0.938 165 T HN 0.037 nan 8.240 nan 0.000 0.523 166 P HA 0.218 nan 4.420 nan 0.000 0.263 166 P C -0.293 177.055 177.300 0.081 0.000 1.195 166 P CA 0.049 63.208 63.100 0.098 0.000 0.762 166 P CB 0.463 32.200 31.700 0.062 0.000 0.799 167 A N 3.127 126.051 122.820 0.174 0.000 2.635 167 A HA 0.172 4.500 4.320 0.013 0.000 0.279 167 A C 1.349 179.022 177.584 0.147 0.000 1.122 167 A CA 0.030 52.081 52.037 0.024 0.000 0.965 167 A CB -0.288 18.514 19.000 -0.329 0.000 1.221 167 A HN 0.303 nan 8.150 nan 0.000 0.566 168 V N -0.521 119.558 119.914 0.276 0.000 2.273 168 V HA -0.160 3.967 4.120 0.013 0.000 0.242 168 V C 2.470 178.621 176.094 0.095 0.000 1.035 168 V CA 2.198 64.642 62.300 0.240 0.000 1.013 168 V CB -0.777 31.177 31.823 0.217 0.000 0.652 168 V HN 0.311 nan 8.190 nan 0.000 0.452 169 V N 0.623 120.580 119.914 0.071 0.000 2.324 169 V HA -0.276 3.851 4.120 0.013 0.000 0.250 169 V C 1.999 178.100 176.094 0.013 0.000 1.060 169 V CA 2.298 64.615 62.300 0.028 0.000 1.042 169 V CB -0.679 31.162 31.823 0.030 0.000 0.650 169 V HN 0.575 nan 8.190 nan 0.000 0.450 170 D N -0.770 119.654 120.400 0.040 0.000 2.349 170 D HA 0.011 4.658 4.640 0.013 0.000 0.224 170 D C 1.985 178.315 176.300 0.049 0.000 1.029 170 D CA 0.661 54.701 54.000 0.066 0.000 0.879 170 D CB 0.320 41.228 40.800 0.181 0.000 0.906 170 D HN 0.384 nan 8.370 nan 0.000 0.528 171 S N -0.513 115.185 115.700 -0.003 0.000 2.512 171 S HA 0.196 4.673 4.470 0.013 0.000 0.216 171 S C 0.980 175.487 174.600 -0.155 0.000 1.006 171 S CA -0.337 57.833 58.200 -0.051 0.000 0.915 171 S CB 1.012 64.190 63.200 -0.037 0.000 0.824 171 S HN 0.139 nan 8.310 nan 0.000 0.497 172 L N 2.285 123.397 121.223 -0.184 0.000 2.472 172 L HA 0.275 4.622 4.340 0.013 0.000 0.260 172 L C -2.431 174.228 176.870 -0.351 0.000 1.209 172 L CA -2.232 52.390 54.840 -0.363 0.000 0.817 172 L CB -0.284 41.629 42.059 -0.244 0.000 1.106 172 L HN -0.117 nan 8.230 nan 0.000 0.479 173 P HA 0.001 nan 4.420 nan 0.000 0.264 173 P C 0.619 177.830 177.300 -0.148 0.000 1.183 173 P CA 1.145 64.096 63.100 -0.249 0.000 0.763 173 P CB 0.631 32.217 31.700 -0.189 0.000 0.807 174 G N 1.912 110.648 108.800 -0.107 0.000 2.308 174 G HA2 -0.163 3.804 3.960 0.013 0.000 0.221 174 G HA3 -0.163 3.804 3.960 0.013 0.000 0.221 174 G C 0.635 175.480 174.900 -0.091 0.000 1.032 174 G CA -0.183 44.867 45.100 -0.083 0.000 0.623 174 G HN 0.883 nan 8.290 nan 0.000 0.506 175 G N 0.100 108.837 108.800 -0.105 0.000 2.467 175 G HA2 0.626 4.594 3.960 0.013 0.000 0.257 175 G HA3 0.626 4.594 3.960 0.013 0.000 0.257 175 G C 1.219 176.033 174.900 -0.144 0.000 1.227 175 G CA 0.849 45.893 45.100 -0.094 0.000 0.835 175 G HN 1.354 nan 8.290 nan 0.000 0.556 176 A N 1.218 123.913 122.820 -0.208 0.000 2.070 176 A HA -0.011 4.316 4.320 0.013 0.000 0.220 176 A C 1.408 178.621 177.584 -0.618 0.000 1.159 176 A CA 1.054 52.827 52.037 -0.440 0.000 0.656 176 A CB -0.284 18.351 19.000 -0.609 0.000 0.800 176 A HN 0.722 nan 8.150 nan 0.000 0.453 177 Y N -0.897 119.333 120.300 -0.117 0.000 2.555 177 Y HA 0.127 4.684 4.550 0.012 0.000 0.259 177 Y C 1.878 177.667 175.900 -0.185 0.000 1.179 177 Y CA -0.138 57.871 58.100 -0.152 0.000 1.230 177 Y CB -0.144 38.215 38.460 -0.169 0.000 1.146 177 Y HN 0.416 nan 8.280 nan 0.000 0.526 178 N N 1.708 120.354 118.700 -0.090 0.000 2.094 178 N HA -0.165 4.582 4.740 0.013 0.000 0.191 178 N C -1.133 174.302 175.510 -0.126 0.000 1.023 178 N CA 1.487 54.462 53.050 -0.125 0.000 0.857 178 N CB -0.546 37.852 38.487 -0.147 0.000 1.013 178 N HN 0.212 nan 8.380 nan 0.000 0.426 179 P HA -0.062 nan 4.420 nan 0.000 0.218 179 P C 1.709 178.906 177.300 -0.172 0.000 1.149 179 P CA 0.684 63.720 63.100 -0.107 0.000 0.817 179 P CB 0.073 31.724 31.700 -0.083 0.000 0.785 180 V N -0.392 119.400 119.914 -0.203 0.000 2.323 180 V HA -0.193 3.934 4.120 0.013 0.000 0.244 180 V C 2.367 177.995 176.094 -0.777 0.000 1.041 180 V CA 1.438 63.521 62.300 -0.362 0.000 1.025 180 V CB -1.307 30.378 31.823 -0.230 0.000 0.656 180 V HN 0.049 nan 8.190 nan 0.000 0.451 181 L N 1.204 122.059 121.223 -0.614 0.000 2.042 181 L HA -0.173 4.175 4.340 0.013 0.000 0.210 181 L C 2.165 178.733 176.870 -0.504 0.000 1.076 181 L CA 2.011 56.487 54.840 -0.606 0.000 0.749 181 L CB -1.070 40.876 42.059 -0.187 0.000 0.893 181 L HN 0.316 nan 8.230 nan 0.000 0.432 182 N N 0.217 118.687 118.700 -0.385 0.000 2.223 182 N HA -0.120 4.628 4.740 0.013 0.000 0.185 182 N C 1.821 177.176 175.510 -0.258 0.000 1.016 182 N CA 1.345 54.134 53.050 -0.435 0.000 0.863 182 N CB -0.887 37.442 38.487 -0.262 0.000 0.983 182 N HN 0.552 nan 8.380 nan 0.000 0.429 183 G N 0.036 108.695 108.800 -0.235 0.000 2.440 183 G HA2 -0.236 3.732 3.960 0.013 0.000 0.218 183 G HA3 -0.236 3.732 3.960 0.013 0.000 0.218 183 G C 1.367 176.261 174.900 -0.010 0.000 1.154 183 G CA 0.522 45.560 45.100 -0.103 0.000 0.767 183 G HN 0.415 nan 8.290 nan 0.000 0.552 184 Y N 0.336 120.514 120.300 -0.203 0.000 2.145 184 Y HA -0.048 4.509 4.550 0.012 0.000 0.286 184 Y C 2.833 178.591 175.900 -0.237 0.000 1.145 184 Y CA 0.285 58.193 58.100 -0.320 0.000 1.148 184 Y CB -0.302 37.668 38.460 -0.817 0.000 0.981 184 Y HN 0.056 nan 8.280 nan 0.000 0.507 185 L N -0.165 121.001 121.223 -0.095 0.000 2.141 185 L HA -0.216 4.132 4.340 0.013 0.000 0.209 185 L C 1.809 178.776 176.870 0.162 0.000 1.094 185 L CA 0.905 55.768 54.840 0.038 0.000 0.763 185 L CB -0.495 41.491 42.059 -0.123 0.000 0.908 185 L HN 0.228 nan 8.230 nan 0.000 0.437 186 D N -0.041 120.451 120.400 0.153 0.000 2.123 186 D HA -0.203 4.445 4.640 0.013 0.000 0.196 186 D C 2.307 178.683 176.300 0.127 0.000 0.992 186 D CA 1.236 55.341 54.000 0.176 0.000 0.833 186 D CB -0.090 40.793 40.800 0.138 0.000 0.954 186 D HN 0.412 nan 8.370 nan 0.000 0.455 187 Q N -0.016 119.856 119.800 0.120 0.000 2.123 187 Q HA -0.047 4.300 4.340 0.013 0.000 0.199 187 Q C 2.399 178.492 176.000 0.154 0.000 0.966 187 Q CA 0.544 56.422 55.803 0.124 0.000 0.845 187 Q CB 0.154 28.960 28.738 0.113 0.000 0.907 187 Q HN 0.124 nan 8.270 nan 0.000 0.439 188 V N 1.095 121.102 119.914 0.154 0.000 2.287 188 V HA -0.309 3.818 4.120 0.013 0.000 0.248 188 V C 2.269 178.460 176.094 0.163 0.000 1.053 188 V CA 1.954 64.349 62.300 0.158 0.000 1.027 188 V CB -0.976 30.938 31.823 0.152 0.000 0.646 188 V HN 0.410 nan 8.190 nan 0.000 0.447 189 A N -0.645 122.230 122.820 0.090 0.000 1.877 189 A HA -0.199 4.129 4.320 0.013 0.000 0.216 189 A C 2.220 179.803 177.584 -0.003 0.000 1.186 189 A CA 1.626 53.656 52.037 -0.011 0.000 0.620 189 A CB -0.452 18.552 19.000 0.005 0.000 0.822 189 A HN 0.506 nan 8.150 nan 0.000 0.443 190 E N -1.207 119.028 120.200 0.058 0.000 2.077 190 E HA -0.229 4.129 4.350 0.013 0.000 0.193 190 E C 1.722 178.358 176.600 0.061 0.000 0.989 190 E CA 1.268 57.693 56.400 0.042 0.000 0.800 190 E CB -0.430 29.308 29.700 0.063 0.000 0.746 190 E HN 0.866 nan 8.360 nan 0.000 0.452 191 W N 1.556 122.822 121.300 -0.056 0.000 2.333 191 W HA -0.213 4.455 4.660 0.012 0.000 0.316 191 W C 2.430 178.896 176.519 -0.090 0.000 1.215 191 W CA 2.644 59.955 57.345 -0.056 0.000 1.278 191 W CB -0.403 29.044 29.460 -0.021 0.000 1.154 191 W HN 0.054 nan 8.180 nan 0.000 0.486 192 A N 0.481 123.336 122.820 0.059 0.000 1.902 192 A HA -0.228 4.100 4.320 0.013 0.000 0.217 192 A C 1.758 179.145 177.584 -0.329 0.000 1.181 192 A CA 1.920 53.819 52.037 -0.231 0.000 0.623 192 A CB -1.027 17.720 19.000 -0.420 0.000 0.818 192 A HN 0.422 nan 8.150 nan 0.000 0.443 193 N N 0.512 119.069 118.700 -0.239 0.000 2.453 193 N HA -0.054 4.694 4.740 0.013 0.000 0.183 193 N C 0.680 176.068 175.510 -0.204 0.000 1.041 193 N CA 0.801 53.727 53.050 -0.207 0.000 0.900 193 N CB -0.245 38.154 38.487 -0.148 0.000 0.961 193 N HN 0.521 nan 8.380 nan 0.000 0.443 194 N N 0.065 118.619 118.700 -0.243 0.000 2.187 194 N HA 0.042 4.789 4.740 0.013 0.000 0.212 194 N C -0.347 174.964 175.510 -0.331 0.000 1.152 194 N CA -0.164 52.744 53.050 -0.238 0.000 0.872 194 N CB 0.932 39.311 38.487 -0.180 0.000 1.025 194 N HN 0.089 nan 8.380 nan 0.000 0.514 195 L N 2.180 123.127 121.223 -0.460 0.000 2.401 195 L HA 0.203 4.551 4.340 0.013 0.000 0.283 195 L C -0.369 176.257 176.870 -0.408 0.000 1.151 195 L CA 0.364 54.864 54.840 -0.567 0.000 0.942 195 L CB -0.367 41.178 42.059 -0.856 0.000 1.283 195 L HN -0.181 nan 8.230 nan 0.000 0.442 196 K N 2.322 122.533 120.400 -0.315 0.000 2.375 196 K HA 0.426 4.754 4.320 0.013 0.000 0.249 196 K C -0.764 175.723 176.600 -0.187 0.000 0.942 196 K CA -0.912 55.233 56.287 -0.236 0.000 0.806 196 K CB 1.686 34.080 32.500 -0.176 0.000 1.227 196 K HN 0.551 nan 8.250 nan 0.000 0.430 197 D N 0.467 120.787 120.400 -0.133 0.000 2.440 197 D HA 0.015 4.663 4.640 0.013 0.000 0.269 197 D C 0.623 176.898 176.300 -0.043 0.000 1.249 197 D CA -0.146 53.831 54.000 -0.040 0.000 1.055 197 D CB 0.484 41.347 40.800 0.105 0.000 1.104 197 D HN 0.312 nan 8.370 nan 0.000 0.561 198 E N -1.030 119.156 120.200 -0.023 0.000 2.268 198 E HA -0.143 4.215 4.350 0.013 0.000 0.195 198 E C 1.491 178.072 176.600 -0.032 0.000 0.995 198 E CA 0.959 57.340 56.400 -0.033 0.000 0.836 198 E CB -0.165 29.517 29.700 -0.030 0.000 0.763 198 E HN 0.460 nan 8.360 nan 0.000 0.491 199 Q N -0.894 118.891 119.800 -0.025 0.000 2.360 199 Q HA 0.220 4.568 4.340 0.013 0.000 0.202 199 Q C 0.964 176.943 176.000 -0.034 0.000 0.915 199 Q CA 0.607 56.395 55.803 -0.025 0.000 0.943 199 Q CB 0.712 29.441 28.738 -0.016 0.000 1.064 199 Q HN 0.337 nan 8.270 nan 0.000 0.511 200 G N 0.616 109.387 108.800 -0.048 0.000 2.148 200 G HA2 -0.316 3.652 3.960 0.013 0.000 0.254 200 G HA3 -0.316 3.652 3.960 0.013 0.000 0.254 200 G C -0.076 174.781 174.900 -0.071 0.000 0.981 200 G CA -0.133 44.930 45.100 -0.063 0.000 0.670 200 G HN 0.227 nan 8.290 nan 0.000 0.528 201 R N -0.475 119.987 120.500 -0.062 0.000 2.457 201 R HA 0.596 4.944 4.340 0.013 0.000 0.284 201 R C 0.792 177.017 176.300 -0.125 0.000 1.024 201 R CA -0.793 55.266 56.100 -0.068 0.000 1.025 201 R CB 0.998 31.283 30.300 -0.026 0.000 1.063 201 R HN 0.226 nan 8.270 nan 0.000 0.493 202 L N 3.102 124.238 121.223 -0.144 0.000 2.461 202 L HA 0.157 4.504 4.340 0.013 0.000 0.272 202 L C 0.385 177.065 176.870 -0.316 0.000 1.197 202 L CA 0.213 54.923 54.840 -0.217 0.000 0.836 202 L CB 0.304 42.258 42.059 -0.175 0.000 1.105 202 L HN 0.400 nan 8.230 nan 0.000 0.477 203 I N 4.143 124.435 120.570 -0.464 0.000 2.315 203 I HA 0.237 4.414 4.170 0.013 0.000 0.291 203 I C -2.042 173.822 176.117 -0.423 0.000 1.006 203 I CA -1.992 58.841 61.300 -0.779 0.000 1.265 203 I CB 1.267 38.723 38.000 -0.907 0.000 1.387 203 I HN 0.309 nan 8.210 nan 0.000 0.475 204 P HA 0.109 nan 4.420 nan 0.000 0.268 204 P C -0.932 176.416 177.300 0.080 0.000 1.205 204 P CA -0.023 63.088 63.100 0.018 0.000 0.771 204 P CB 0.751 32.576 31.700 0.209 0.000 0.858 205 V N 4.510 124.534 119.914 0.184 0.000 2.686 205 V HA 0.323 4.451 4.120 0.013 0.000 0.306 205 V C 0.098 176.227 176.094 0.058 0.000 1.065 205 V CA -0.564 61.830 62.300 0.157 0.000 0.894 205 V CB 2.057 34.017 31.823 0.229 0.000 1.004 205 V HN 0.366 nan 8.190 nan 0.000 0.424 206 I N 5.016 125.627 120.570 0.070 0.000 2.294 206 I HA 0.244 4.421 4.170 0.013 0.000 0.295 206 I C -0.629 175.455 176.117 -0.055 0.000 1.098 206 I CA 0.072 61.402 61.300 0.051 0.000 1.277 206 I CB 0.183 38.288 38.000 0.175 0.000 1.434 206 I HN 0.478 nan 8.210 nan 0.000 0.498 207 F N 7.483 127.149 119.950 -0.474 0.000 2.405 207 F HA 0.439 4.974 4.527 0.012 0.000 0.355 207 F C 0.348 175.992 175.800 -0.260 0.000 1.121 207 F CA -0.745 56.898 58.000 -0.594 0.000 1.112 207 F CB 0.674 38.909 39.000 -1.275 0.000 1.126 207 F HN 0.343 nan 8.300 nan 0.000 0.481 208 R N 7.277 127.365 120.500 -0.686 0.000 2.288 208 R HA 0.517 4.864 4.340 0.013 0.000 0.326 208 R C -1.677 174.187 176.300 -0.727 0.000 0.959 208 R CA -0.520 55.329 56.100 -0.418 0.000 0.834 208 R CB 0.611 30.792 30.300 -0.198 0.000 1.157 208 R HN 0.802 nan 8.270 nan 0.000 0.470 209 L N 5.586 126.479 121.223 -0.550 0.000 2.289 209 L HA 0.346 4.694 4.340 0.013 0.000 0.285 209 L C -0.383 176.229 176.870 -0.429 0.000 1.049 209 L CA -0.594 53.728 54.840 -0.865 0.000 0.804 209 L CB 0.854 42.268 42.059 -1.075 0.000 1.195 209 L HN 0.786 nan 8.230 nan 0.000 0.428 210 Y N 1.347 121.248 120.300 -0.665 0.000 3.078 210 Y HA -0.281 4.275 4.550 0.012 0.000 0.202 210 Y C 0.855 176.706 175.900 -0.082 0.000 1.322 210 Y CA 0.228 57.737 58.100 -0.984 0.000 1.118 210 Y CB -2.108 35.878 38.460 -0.790 0.000 1.343 210 Y HN 0.718 nan 8.280 nan 0.000 0.499 211 H N -0.710 118.352 119.070 -0.013 0.000 2.745 211 H HA 0.329 4.892 4.556 0.012 0.000 0.373 211 H C 0.739 176.298 175.328 0.385 0.000 1.226 211 H CA -0.263 55.881 56.048 0.160 0.000 1.435 211 H CB 0.540 30.355 29.762 0.089 0.000 1.461 211 H HN 0.429 nan 8.280 nan 0.000 0.616 212 E N 0.037 120.279 120.200 0.070 0.000 2.586 212 E HA -0.302 4.055 4.350 0.013 0.000 0.259 212 E C 0.319 176.771 176.600 -0.247 0.000 1.107 212 E CA 0.597 56.957 56.400 -0.067 0.000 0.754 212 E CB -1.112 28.601 29.700 0.022 0.000 1.335 212 E HN 0.880 nan 8.360 nan 0.000 0.411 213 N N -0.412 118.213 118.700 -0.125 0.000 2.494 213 N HA -0.092 4.656 4.740 0.013 0.000 0.182 213 N C 1.296 176.566 175.510 -0.400 0.000 1.076 213 N CA 1.480 54.410 53.050 -0.200 0.000 0.908 213 N CB -0.162 38.137 38.487 -0.312 0.000 0.967 213 N HN 0.299 nan 8.380 nan 0.000 0.449 214 T N -3.745 110.572 114.554 -0.395 0.000 3.129 214 T HA 0.305 4.662 4.350 0.013 0.000 0.251 214 T C 0.946 175.393 174.700 -0.421 0.000 1.117 214 T CA -0.082 61.808 62.100 -0.351 0.000 1.034 214 T CB 0.024 68.689 68.868 -0.338 0.000 0.968 214 T HN 0.230 nan 8.240 nan 0.000 0.526 215 G N 0.715 109.077 108.800 -0.730 0.000 0.000 215 G HA2 0.493 4.461 3.960 0.013 0.000 0.000 215 G HA3 0.493 4.461 3.960 0.013 0.000 0.000 215 G C 0.253 174.540 174.900 -1.021 0.000 0.000 215 G CA -0.334 44.152 45.100 -1.023 0.000 0.000 215 G HN 0.277 nan 8.290 nan 0.000 0.000 216 S N -1.871 113.347 115.700 -0.803 0.000 2.663 216 S HA 0.056 4.534 4.470 0.013 0.000 0.243 216 S C 0.997 175.359 174.600 -0.396 0.000 1.009 216 S CA -0.139 57.774 58.200 -0.479 0.000 0.988 216 S CB -0.373 62.702 63.200 -0.208 0.000 0.896 216 S HN 0.815 nan 8.310 nan 0.000 0.502 217 W N 0.332 121.367 121.300 -0.441 0.000 2.905 217 W HA 0.552 5.220 4.660 0.014 0.000 0.251 217 W C -0.009 176.111 176.519 -0.665 0.000 1.305 217 W CA -0.966 56.089 57.345 -0.484 0.000 1.465 217 W CB -0.588 28.584 29.460 -0.480 0.000 1.122 217 W HN 0.076 nan 8.180 nan 0.000 0.659 218 F N 1.080 120.557 119.950 -0.788 0.000 2.523 218 F HA 0.222 4.756 4.527 0.012 0.000 0.329 218 F C 1.558 176.800 175.800 -0.930 0.000 1.061 218 F CA -1.645 55.651 58.000 -1.172 0.000 0.967 218 F CB 0.772 38.399 39.000 -2.288 0.000 1.218 218 F HN -0.078 nan 8.300 nan 0.000 0.480 219 W N 0.573 121.599 121.300 -0.456 0.000 2.611 219 W HA -0.093 4.575 4.660 0.013 0.000 0.251 219 W C 0.539 177.045 176.519 -0.022 0.000 1.265 219 W CA 0.128 57.380 57.345 -0.156 0.000 1.295 219 W CB -0.946 28.513 29.460 -0.001 0.000 1.129 219 W HN 0.804 nan 8.180 nan 0.000 0.630 220 W N 1.861 122.971 121.300 -0.316 0.000 3.223 220 W HA 0.679 5.346 4.660 0.012 0.000 0.389 220 W C 0.693 177.157 176.519 -0.092 0.000 1.118 220 W CA -1.038 56.159 57.345 -0.247 0.000 1.902 220 W CB -0.871 28.223 29.460 -0.609 0.000 1.094 220 W HN -0.170 nan 8.180 nan 0.000 0.666 221 G N 1.479 110.126 108.800 -0.256 0.000 2.535 221 G HA2 0.066 4.034 3.960 0.013 0.000 0.282 221 G HA3 0.066 4.034 3.960 0.013 0.000 0.282 221 G C 0.659 175.452 174.900 -0.179 0.000 1.350 221 G CA 0.318 45.225 45.100 -0.322 0.000 1.039 221 G HN 0.243 nan 8.290 nan 0.000 0.509 222 D N -1.303 118.954 120.400 -0.239 0.000 2.323 222 D HA -0.038 4.610 4.640 0.013 0.000 0.209 222 D C 1.550 177.795 176.300 -0.091 0.000 0.973 222 D CA 0.657 54.567 54.000 -0.149 0.000 0.874 222 D CB 0.088 40.788 40.800 -0.168 0.000 0.930 222 D HN 0.422 nan 8.370 nan 0.000 0.521 223 K N -0.611 119.728 120.400 -0.102 0.000 2.379 223 K HA 0.082 4.409 4.320 0.013 0.000 0.194 223 K C 1.219 177.804 176.600 -0.024 0.000 1.031 223 K CA 0.280 56.534 56.287 -0.055 0.000 1.037 223 K CB 0.405 32.869 32.500 -0.060 0.000 0.824 223 K HN 0.015 nan 8.250 nan 0.000 0.516 224 Q N -0.032 119.757 119.800 -0.018 0.000 2.282 224 Q HA 0.075 4.423 4.340 0.013 0.000 0.206 224 Q C -0.472 175.572 176.000 0.073 0.000 0.878 224 Q CA -0.099 55.727 55.803 0.037 0.000 0.944 224 Q CB 1.335 30.109 28.738 0.060 0.000 1.100 224 Q HN 0.139 nan 8.270 nan 0.000 0.509 225 S N -1.944 113.792 115.700 0.059 0.000 2.543 225 S HA 0.465 4.942 4.470 0.013 0.000 0.274 225 S C -0.186 174.451 174.600 0.062 0.000 1.149 225 S CA -0.840 57.410 58.200 0.084 0.000 0.866 225 S CB 1.019 64.309 63.200 0.150 0.000 1.111 225 S HN 0.132 nan 8.310 nan 0.000 0.457 226 T N -0.614 113.975 114.554 0.059 0.000 2.813 226 T HA 0.457 4.815 4.350 0.013 0.000 0.297 226 T C -1.897 172.848 174.700 0.075 0.000 1.036 226 T CA -1.133 60.997 62.100 0.049 0.000 1.044 226 T CB -0.142 68.749 68.868 0.038 0.000 0.993 226 T HN 0.334 nan 8.240 nan 0.000 0.535 227 P HA -0.137 nan 4.420 nan 0.000 0.216 227 P C 1.528 178.888 177.300 0.100 0.000 1.153 227 P CA 1.216 64.367 63.100 0.085 0.000 0.858 227 P CB 0.061 31.794 31.700 0.055 0.000 0.789 228 E N -0.015 120.220 120.200 0.058 0.000 2.110 228 E HA -0.223 4.134 4.350 0.013 0.000 0.193 228 E C 2.056 178.672 176.600 0.026 0.000 0.988 228 E CA 1.590 58.009 56.400 0.032 0.000 0.804 228 E CB -0.783 28.928 29.700 0.018 0.000 0.745 228 E HN 0.237 nan 8.360 nan 0.000 0.458 229 Q N -1.257 118.571 119.800 0.046 0.000 2.079 229 Q HA -0.163 4.184 4.340 0.013 0.000 0.200 229 Q C 1.908 177.933 176.000 0.042 0.000 0.974 229 Q CA 1.585 57.408 55.803 0.035 0.000 0.840 229 Q CB -0.359 28.410 28.738 0.051 0.000 0.898 229 Q HN 0.445 nan 8.270 nan 0.000 0.430 230 Y N 1.571 121.869 120.300 -0.003 0.000 2.145 230 Y HA -0.239 4.317 4.550 0.011 0.000 0.286 230 Y C 1.788 177.682 175.900 -0.009 0.000 1.145 230 Y CA 1.612 59.714 58.100 0.003 0.000 1.148 230 Y CB 0.118 38.600 38.460 0.036 0.000 0.981 230 Y HN -0.106 nan 8.280 nan 0.000 0.507 231 K N -0.387 120.007 120.400 -0.009 0.000 2.063 231 K HA -0.226 4.102 4.320 0.013 0.000 0.208 231 K C 2.106 178.567 176.600 -0.232 0.000 1.048 231 K CA 1.580 57.773 56.287 -0.157 0.000 0.928 231 K CB -0.180 32.257 32.500 -0.106 0.000 0.713 231 K HN 0.347 nan 8.250 nan 0.000 0.442 232 Q N 0.725 120.429 119.800 -0.161 0.000 2.084 232 Q HA -0.151 4.197 4.340 0.013 0.000 0.202 232 Q C 2.238 178.162 176.000 -0.127 0.000 0.978 232 Q CA 1.085 56.799 55.803 -0.149 0.000 0.844 232 Q CB -0.404 28.278 28.738 -0.094 0.000 0.898 232 Q HN 0.239 nan 8.270 nan 0.000 0.426 233 L N -0.125 120.994 121.223 -0.172 0.000 2.012 233 L HA -0.149 4.199 4.340 0.013 0.000 0.210 233 L C 2.164 178.979 176.870 -0.092 0.000 1.073 233 L CA 1.586 56.323 54.840 -0.172 0.000 0.748 233 L CB -0.704 41.125 42.059 -0.382 0.000 0.891 233 L HN 0.130 nan 8.230 nan 0.000 0.431 234 F N 0.091 119.811 119.950 -0.384 0.000 2.075 234 F HA -0.213 4.323 4.527 0.015 0.000 0.297 234 F C 2.608 178.276 175.800 -0.219 0.000 1.113 234 F CA 1.673 59.559 58.000 -0.189 0.000 1.218 234 F CB -0.135 38.663 39.000 -0.336 0.000 0.984 234 F HN -0.034 nan 8.300 nan 0.000 0.472 235 R N -1.154 119.226 120.500 -0.201 0.000 2.073 235 R HA -0.242 4.106 4.340 0.013 0.000 0.234 235 R C 2.173 178.195 176.300 -0.463 0.000 1.134 235 R CA 1.937 57.554 56.100 -0.806 0.000 0.952 235 R CB -1.106 28.402 30.300 -1.321 0.000 0.850 235 R HN 0.446 nan 8.270 nan 0.000 0.433 236 Y N 1.578 121.709 120.300 -0.282 0.000 2.165 236 Y HA -0.240 4.316 4.550 0.011 0.000 0.286 236 Y C 2.247 178.165 175.900 0.029 0.000 1.155 236 Y CA 1.720 59.763 58.100 -0.094 0.000 1.164 236 Y CB -0.210 38.215 38.460 -0.058 0.000 0.978 236 Y HN -0.070 nan 8.280 nan 0.000 0.513 237 S N -0.609 115.063 115.700 -0.047 0.000 2.368 237 S HA -0.161 4.317 4.470 0.013 0.000 0.224 237 S C 2.136 176.736 174.600 0.001 0.000 1.029 237 S CA 1.320 59.511 58.200 -0.014 0.000 0.988 237 S CB -0.693 62.642 63.200 0.226 0.000 0.838 237 S HN 0.332 nan 8.310 nan 0.000 0.462 238 V N 1.927 121.798 119.914 -0.071 0.000 2.295 238 V HA -0.202 3.925 4.120 0.013 0.000 0.246 238 V C 2.508 178.624 176.094 0.035 0.000 1.049 238 V CA 2.059 64.287 62.300 -0.119 0.000 1.024 238 V CB -0.622 31.104 31.823 -0.162 0.000 0.648 238 V HN 0.545 nan 8.190 nan 0.000 0.447 239 E N -0.851 119.417 120.200 0.113 0.000 2.110 239 E HA -0.284 4.074 4.350 0.013 0.000 0.193 239 E C 2.169 178.778 176.600 0.014 0.000 0.988 239 E CA 1.672 58.159 56.400 0.145 0.000 0.804 239 E CB -0.273 29.536 29.700 0.182 0.000 0.745 239 E HN 0.707 nan 8.360 nan 0.000 0.458 240 Y N 0.891 121.052 120.300 -0.232 0.000 2.145 240 Y HA -0.191 4.366 4.550 0.012 0.000 0.286 240 Y C 1.991 177.833 175.900 -0.098 0.000 1.145 240 Y CA 1.739 59.689 58.100 -0.250 0.000 1.148 240 Y CB -0.092 38.085 38.460 -0.473 0.000 0.981 240 Y HN 0.024 nan 8.280 nan 0.000 0.507 241 L N -0.201 121.119 121.223 0.163 0.000 2.017 241 L HA -0.231 4.116 4.340 0.013 0.000 0.208 241 L C 2.755 179.641 176.870 0.026 0.000 1.073 241 L CA 1.885 56.801 54.840 0.128 0.000 0.745 241 L CB -0.563 41.650 42.059 0.258 0.000 0.894 241 L HN 0.155 nan 8.230 nan 0.000 0.432 242 R N -0.187 120.354 120.500 0.068 0.000 2.055 242 R HA -0.124 4.224 4.340 0.013 0.000 0.226 242 R C 1.691 177.979 176.300 -0.020 0.000 1.135 242 R CA 1.767 57.899 56.100 0.052 0.000 0.959 242 R CB 0.036 30.394 30.300 0.097 0.000 0.854 242 R HN 0.309 nan 8.270 nan 0.000 0.431 243 D N -0.516 119.861 120.400 -0.038 0.000 2.259 243 D HA -0.027 4.621 4.640 0.013 0.000 0.216 243 D C 1.964 178.189 176.300 -0.126 0.000 0.961 243 D CA 0.740 54.705 54.000 -0.059 0.000 0.878 243 D CB 0.021 40.807 40.800 -0.023 0.000 1.009 243 D HN 0.057 nan 8.370 nan 0.000 0.490 244 V N 1.179 120.955 119.914 -0.230 0.000 2.407 244 V HA -0.087 4.041 4.120 0.013 0.000 0.245 244 V C 1.849 177.753 176.094 -0.317 0.000 1.041 244 V CA 1.285 63.372 62.300 -0.354 0.000 1.040 244 V CB -0.128 31.259 31.823 -0.726 0.000 0.671 244 V HN 0.059 nan 8.190 nan 0.000 0.455 245 K N -0.306 119.918 120.400 -0.292 0.000 2.355 245 K HA 0.316 4.643 4.320 0.013 0.000 0.198 245 K C 1.394 177.913 176.600 -0.134 0.000 1.039 245 K CA 0.707 56.878 56.287 -0.194 0.000 1.075 245 K CB 0.462 32.872 32.500 -0.149 0.000 0.870 245 K HN 0.489 nan 8.250 nan 0.000 0.540 246 G N 1.883 110.611 108.800 -0.120 0.000 2.176 246 G HA2 -0.240 3.728 3.960 0.013 0.000 0.252 246 G HA3 -0.240 3.728 3.960 0.013 0.000 0.252 246 G C 0.138 174.969 174.900 -0.115 0.000 1.024 246 G CA 0.234 45.276 45.100 -0.098 0.000 0.755 246 G HN 0.098 nan 8.290 nan 0.000 0.507 247 V N 0.707 120.536 119.914 -0.142 0.000 2.529 247 V HA 0.257 4.384 4.120 0.013 0.000 0.292 247 V C 1.456 177.460 176.094 -0.150 0.000 1.028 247 V CA 0.346 62.502 62.300 -0.240 0.000 1.074 247 V CB 1.187 32.754 31.823 -0.426 0.000 0.958 247 V HN 0.412 nan 8.190 nan 0.000 0.481 248 R N 3.287 123.693 120.500 -0.158 0.000 2.509 248 R HA 0.151 4.498 4.340 0.013 0.000 0.297 248 R C 0.643 176.918 176.300 -0.042 0.000 0.951 248 R CA 0.050 56.110 56.100 -0.067 0.000 1.103 248 R CB 0.219 30.483 30.300 -0.059 0.000 1.283 248 R HN 0.877 nan 8.270 nan 0.000 0.534 249 N N -0.259 118.383 118.700 -0.098 0.000 2.338 249 N HA 0.081 4.828 4.740 0.013 0.000 0.251 249 N C -0.348 175.297 175.510 0.226 0.000 1.199 249 N CA -0.195 52.858 53.050 0.005 0.000 0.879 249 N CB 0.008 38.451 38.487 -0.074 0.000 1.159 249 N HN -0.006 nan 8.380 nan 0.000 0.514 250 F N 0.863 120.775 119.950 -0.065 0.000 2.469 250 F HA 0.484 5.018 4.527 0.012 0.000 0.332 250 F C 0.203 175.905 175.800 -0.164 0.000 1.103 250 F CA -1.239 56.648 58.000 -0.189 0.000 0.979 250 F CB 2.053 40.759 39.000 -0.491 0.000 1.137 250 F HN -0.285 nan 8.300 nan 0.000 0.463 251 L N 3.404 124.659 121.223 0.053 0.000 2.334 251 L HA 0.382 4.729 4.340 0.013 0.000 0.275 251 L C -1.181 175.644 176.870 -0.075 0.000 1.036 251 L CA -0.943 53.962 54.840 0.108 0.000 0.807 251 L CB 1.368 43.582 42.059 0.259 0.000 1.231 251 L HN 0.501 nan 8.230 nan 0.000 0.438 252 Y N 1.193 121.690 120.300 0.328 0.000 2.341 252 Y HA 0.603 5.161 4.550 0.013 0.000 0.337 252 Y C 0.340 176.464 175.900 0.374 0.000 1.014 252 Y CA -0.587 57.717 58.100 0.340 0.000 1.111 252 Y CB 1.848 40.553 38.460 0.408 0.000 1.194 252 Y HN 0.572 nan 8.280 nan 0.000 0.462 253 A N 3.329 126.415 122.820 0.443 0.000 2.350 253 A HA 0.643 4.971 4.320 0.013 0.000 0.324 253 A C -2.077 175.852 177.584 0.574 0.000 1.118 253 A CA -0.653 51.638 52.037 0.424 0.000 0.783 253 A CB 0.776 19.929 19.000 0.255 0.000 1.236 253 A HN 0.680 nan 8.150 nan 0.000 0.457 254 Y N 1.380 121.929 120.300 0.416 0.000 2.429 254 Y HA 0.636 5.195 4.550 0.015 0.000 0.342 254 Y C 0.053 176.149 175.900 0.327 0.000 1.004 254 Y CA -0.836 57.491 58.100 0.378 0.000 1.075 254 Y CB 2.143 40.759 38.460 0.260 0.000 1.214 254 Y HN 0.629 nan 8.280 nan 0.000 0.455 255 S N 8.436 123.893 115.700 -0.405 0.000 2.479 255 S HA 0.380 4.858 4.470 0.013 0.000 0.169 255 S C -3.163 171.251 174.600 -0.310 0.000 1.181 255 S CA -1.048 57.027 58.200 -0.208 0.000 1.169 255 S CB 0.373 63.605 63.200 0.055 0.000 1.384 255 S HN 0.545 nan 8.310 nan 0.000 0.412 256 P HA 0.293 nan 4.420 nan 0.000 0.279 256 P C -0.412 176.794 177.300 -0.158 0.000 1.282 256 P CA -0.551 62.327 63.100 -0.370 0.000 0.788 256 P CB 0.536 31.970 31.700 -0.444 0.000 1.139 257 N N 0.716 119.283 118.700 -0.223 0.000 2.399 257 N HA 0.025 4.773 4.740 0.013 0.000 0.250 257 N C 0.422 175.772 175.510 -0.266 0.000 1.272 257 N CA -0.028 52.956 53.050 -0.111 0.000 0.928 257 N CB -0.150 38.304 38.487 -0.055 0.000 1.158 257 N HN 0.494 nan 8.380 nan 0.000 0.463 258 N N 0.505 119.161 118.700 -0.073 0.000 2.356 258 N HA -0.070 4.678 4.740 0.013 0.000 0.252 258 N C -0.804 174.397 175.510 -0.515 0.000 1.241 258 N CA 0.477 53.354 53.050 -0.287 0.000 0.861 258 N CB 0.015 38.335 38.487 -0.278 0.000 1.075 258 N HN 0.267 nan 8.380 nan 0.000 0.461 259 F N 0.203 119.973 119.950 -0.300 0.000 2.385 259 F HA 0.279 4.816 4.527 0.016 0.000 0.336 259 F C 0.929 176.529 175.800 -0.334 0.000 1.100 259 F CA -0.842 57.039 58.000 -0.199 0.000 1.116 259 F CB 0.747 39.686 39.000 -0.101 0.000 1.166 259 F HN 0.554 nan 8.300 nan 0.000 0.511 260 W N -0.331 121.064 121.300 0.158 0.000 2.640 260 W HA 0.012 4.680 4.660 0.013 0.000 0.268 260 W C 0.540 177.110 176.519 0.085 0.000 1.263 260 W CA 0.078 57.480 57.345 0.095 0.000 1.344 260 W CB 0.217 29.725 29.460 0.080 0.000 1.093 260 W HN 0.259 nan 8.180 nan 0.000 0.603 261 D N 0.584 121.163 120.400 0.297 0.000 2.479 261 D HA 0.139 4.787 4.640 0.013 0.000 0.218 261 D C -0.562 175.781 176.300 0.072 0.000 1.131 261 D CA -0.126 53.969 54.000 0.160 0.000 0.916 261 D CB 0.603 41.484 40.800 0.134 0.000 1.022 261 D HN -0.299 nan 8.370 nan 0.000 0.515 262 V N 4.571 124.497 119.914 0.019 0.000 2.287 262 V HA 0.247 4.375 4.120 0.013 0.000 0.246 262 V C 0.757 176.782 176.094 -0.116 0.000 1.165 262 V CA -0.072 62.189 62.300 -0.064 0.000 1.088 262 V CB -0.337 31.430 31.823 -0.092 0.000 1.242 262 V HN 0.661 nan 8.190 nan 0.000 0.497 263 T N -0.686 113.757 114.554 -0.186 0.000 2.906 263 T HA 0.417 4.775 4.350 0.013 0.000 0.295 263 T C 0.717 175.281 174.700 -0.228 0.000 1.061 263 T CA -0.598 61.398 62.100 -0.175 0.000 1.000 263 T CB 2.333 71.123 68.868 -0.130 0.000 1.103 263 T HN 0.453 nan 8.240 nan 0.000 0.486 264 E N 1.132 121.230 120.200 -0.169 0.000 2.085 264 E HA -0.152 4.206 4.350 0.013 0.000 0.194 264 E C 2.237 178.765 176.600 -0.121 0.000 0.994 264 E CA 1.449 57.757 56.400 -0.153 0.000 0.801 264 E CB -0.461 29.163 29.700 -0.126 0.000 0.743 264 E HN 0.807 nan 8.360 nan 0.000 0.453 265 A N 1.188 123.941 122.820 -0.112 0.000 1.908 265 A HA -0.237 4.090 4.320 0.013 0.000 0.218 265 A C 1.948 179.459 177.584 -0.122 0.000 1.181 265 A CA 1.756 53.744 52.037 -0.082 0.000 0.627 265 A CB -0.628 18.336 19.000 -0.061 0.000 0.818 265 A HN 0.269 nan 8.150 nan 0.000 0.445 266 N N -1.519 117.033 118.700 -0.246 0.000 2.106 266 N HA -0.152 4.596 4.740 0.013 0.000 0.188 266 N C 1.575 176.738 175.510 -0.578 0.000 1.029 266 N CA 1.608 54.410 53.050 -0.414 0.000 0.848 266 N CB -0.656 37.463 38.487 -0.614 0.000 1.007 266 N HN 0.657 nan 8.380 nan 0.000 0.423 267 Y N 1.348 121.179 120.300 -0.781 0.000 2.224 267 Y HA -0.039 4.517 4.550 0.010 0.000 0.289 267 Y C 2.025 177.910 175.900 -0.026 0.000 1.146 267 Y CA 1.200 59.084 58.100 -0.361 0.000 1.182 267 Y CB -0.109 38.192 38.460 -0.266 0.000 0.983 267 Y HN 0.012 nan 8.280 nan 0.000 0.524 268 L N -0.082 121.196 121.223 0.091 0.000 2.395 268 L HA -0.128 4.219 4.340 0.013 0.000 0.218 268 L C 2.351 179.291 176.870 0.117 0.000 1.130 268 L CA 1.043 55.965 54.840 0.137 0.000 0.826 268 L CB -0.449 41.662 42.059 0.087 0.000 0.941 268 L HN 0.307 nan 8.230 nan 0.000 0.451 269 E N 1.053 121.291 120.200 0.063 0.000 2.085 269 E HA -0.227 4.131 4.350 0.013 0.000 0.194 269 E C 1.707 178.350 176.600 0.072 0.000 0.994 269 E CA 1.323 57.759 56.400 0.061 0.000 0.801 269 E CB 0.201 29.933 29.700 0.052 0.000 0.743 269 E HN 0.414 nan 8.360 nan 0.000 0.453 270 R N -0.759 119.791 120.500 0.083 0.000 2.509 270 R HA 0.062 4.410 4.340 0.013 0.000 0.300 270 R C -0.431 175.865 176.300 -0.006 0.000 0.985 270 R CA -0.424 55.718 56.100 0.070 0.000 1.092 270 R CB 0.338 30.618 30.300 -0.034 0.000 1.237 270 R HN 0.125 nan 8.270 nan 0.000 0.546 271 Y N 2.844 123.009 120.300 -0.225 0.000 2.650 271 Y HA 0.071 4.625 4.550 0.007 0.000 0.331 271 Y C -1.735 173.913 175.900 -0.421 0.000 1.165 271 Y CA -2.520 55.261 58.100 -0.533 0.000 1.473 271 Y CB 0.937 39.298 38.460 -0.164 0.000 1.224 271 Y HN -0.048 nan 8.280 nan 0.000 0.533 272 P HA 0.089 nan 4.420 nan 0.000 0.222 272 P C -0.270 176.652 177.300 -0.631 0.000 1.147 272 P CA 1.694 64.311 63.100 -0.807 0.000 0.790 272 P CB 0.083 31.131 31.700 -1.087 0.000 0.780 273 G N -0.604 107.465 108.800 -1.219 0.000 2.484 273 G HA2 -0.127 3.841 3.960 0.013 0.000 0.685 273 G HA3 -0.127 3.841 3.960 0.013 0.000 0.685 273 G C -0.248 174.476 174.900 -0.293 0.000 1.294 273 G CA -0.373 44.390 45.100 -0.561 0.000 0.879 273 G HN -0.143 nan 8.290 nan 0.000 0.646 274 D N 0.027 120.471 120.400 0.074 0.000 2.218 274 D HA -0.046 4.602 4.640 0.013 0.000 0.204 274 D C 2.110 178.422 176.300 0.021 0.000 0.976 274 D CA 1.200 55.298 54.000 0.164 0.000 0.853 274 D CB 0.239 41.142 40.800 0.172 0.000 0.939 274 D HN 0.507 nan 8.370 nan 0.000 0.481 275 E N -1.166 118.965 120.200 -0.114 0.000 2.418 275 E HA -0.087 4.271 4.350 0.013 0.000 0.197 275 E C 0.962 177.182 176.600 -0.634 0.000 1.026 275 E CA 0.380 56.526 56.400 -0.423 0.000 0.862 275 E CB -0.002 29.324 29.700 -0.622 0.000 0.799 275 E HN 0.552 nan 8.360 nan 0.000 0.518 276 W N -0.398 120.895 121.300 -0.012 0.000 2.725 276 W HA 0.175 4.840 4.660 0.010 0.000 0.336 276 W C -0.009 176.606 176.519 0.161 0.000 1.012 276 W CA -0.097 57.266 57.345 0.030 0.000 1.566 276 W CB 1.071 30.520 29.460 -0.019 0.000 1.068 276 W HN -0.320 nan 8.180 nan 0.000 0.546 277 V N 1.187 121.291 119.914 0.317 0.000 2.638 277 V HA 0.219 4.346 4.120 0.013 0.000 0.306 277 V C -0.060 176.274 176.094 0.400 0.000 1.052 277 V CA -0.590 61.961 62.300 0.418 0.000 0.885 277 V CB 2.263 34.312 31.823 0.377 0.000 0.999 277 V HN -0.092 nan 8.190 nan 0.000 0.424 278 D N 1.909 122.585 120.400 0.460 0.000 2.324 278 D HA 0.126 4.774 4.640 0.013 0.000 0.212 278 D C 0.183 176.767 176.300 0.473 0.000 0.984 278 D CA 1.056 55.336 54.000 0.467 0.000 0.885 278 D CB 1.429 42.518 40.800 0.481 0.000 0.996 278 D HN 0.315 nan 8.370 nan 0.000 0.505 279 V N 2.256 122.418 119.914 0.414 0.000 2.483 279 V HA 0.292 4.420 4.120 0.013 0.000 0.297 279 V C -0.296 175.996 176.094 0.330 0.000 1.027 279 V CA -0.628 61.856 62.300 0.307 0.000 0.855 279 V CB 2.359 34.342 31.823 0.267 0.000 0.995 279 V HN -0.033 nan 8.190 nan 0.000 0.424 280 L N 5.145 126.521 121.223 0.256 0.000 2.255 280 L HA 0.781 5.129 4.340 0.013 0.000 0.289 280 L C 0.791 177.798 176.870 0.229 0.000 1.046 280 L CA 0.085 55.110 54.840 0.307 0.000 0.816 280 L CB 1.073 43.223 42.059 0.153 0.000 1.197 280 L HN 0.780 nan 8.230 nan 0.000 0.427 281 G N 2.417 111.400 108.800 0.305 0.000 3.140 281 G HA2 0.839 4.807 3.960 0.013 0.000 0.271 281 G HA3 0.839 4.807 3.960 0.013 0.000 0.271 281 G C -1.331 173.803 174.900 0.391 0.000 1.370 281 G CA -0.483 44.742 45.100 0.208 0.000 1.014 281 G HN 0.496 nan 8.290 nan 0.000 0.541 282 F N -2.099 117.893 119.950 0.071 0.000 2.741 282 F HA 0.691 5.225 4.527 0.013 0.000 0.311 282 F C -2.217 173.605 175.800 0.037 0.000 1.149 282 F CA -1.339 56.687 58.000 0.043 0.000 0.930 282 F CB 1.493 40.538 39.000 0.074 0.000 1.312 282 F HN 0.328 nan 8.300 nan 0.000 0.450 283 D N 0.684 121.138 120.400 0.091 0.000 2.362 283 D HA 0.586 5.234 4.640 0.013 0.000 0.247 283 D C -1.115 175.279 176.300 0.157 0.000 1.050 283 D CA -0.128 53.904 54.000 0.053 0.000 0.839 283 D CB 2.143 43.073 40.800 0.217 0.000 1.283 283 D HN 0.834 nan 8.370 nan 0.000 0.477 284 T N 1.534 116.103 114.554 0.025 0.000 3.032 284 T HA 0.518 4.876 4.350 0.013 0.000 0.312 284 T C -1.890 172.875 174.700 0.110 0.000 1.078 284 T CA -0.471 61.756 62.100 0.213 0.000 1.028 284 T CB 0.224 69.249 68.868 0.262 0.000 1.091 284 T HN 0.181 nan 8.240 nan 0.000 0.457 285 Y N 1.946 122.470 120.300 0.374 0.000 2.361 285 Y HA 0.681 5.238 4.550 0.012 0.000 0.337 285 Y C 0.728 176.558 175.900 -0.117 0.000 0.965 285 Y CA -0.507 57.681 58.100 0.148 0.000 1.091 285 Y CB 2.505 40.959 38.460 -0.010 0.000 1.182 285 Y HN 0.890 nan 8.280 nan 0.000 0.450 286 G N 2.591 110.966 108.800 -0.707 0.000 2.788 286 G HA2 0.690 4.658 3.960 0.013 0.000 0.293 286 G HA3 0.690 4.658 3.960 0.013 0.000 0.293 286 G C -3.145 171.289 174.900 -0.776 0.000 1.305 286 G CA -2.189 41.954 45.100 -1.595 0.000 1.005 286 G HN 0.261 nan 8.290 nan 0.000 0.496 287 P HA 0.159 nan 4.420 nan 0.000 0.277 287 P C 0.831 178.028 177.300 -0.172 0.000 1.240 287 P CA -0.355 62.594 63.100 -0.251 0.000 0.798 287 P CB 2.227 33.856 31.700 -0.118 0.000 0.979 288 V N 1.343 121.190 119.914 -0.112 0.000 2.719 288 V HA 0.040 4.168 4.120 0.013 0.000 0.252 288 V C 0.824 176.929 176.094 0.017 0.000 1.065 288 V CA 1.850 64.118 62.300 -0.053 0.000 1.086 288 V CB -0.644 31.124 31.823 -0.092 0.000 0.700 288 V HN 0.747 nan 8.190 nan 0.000 0.467 289 A N -0.758 122.063 122.820 0.001 0.000 2.380 289 A HA 0.606 4.933 4.320 0.013 0.000 0.315 289 A C 0.210 177.831 177.584 0.062 0.000 1.101 289 A CA 0.245 52.298 52.037 0.027 0.000 0.771 289 A CB 0.978 19.969 19.000 -0.015 0.000 1.287 289 A HN 0.377 nan 8.150 nan 0.000 0.436 290 D N -0.019 120.431 120.400 0.084 0.000 2.689 290 D HA -0.166 4.482 4.640 0.013 0.000 0.237 290 D C 0.279 176.677 176.300 0.164 0.000 1.148 290 D CA 1.463 55.525 54.000 0.102 0.000 0.656 290 D CB -0.999 39.838 40.800 0.062 0.000 1.050 290 D HN 0.700 nan 8.370 nan 0.000 0.426 291 N N -1.084 117.764 118.700 0.247 0.000 2.235 291 N HA 0.346 5.093 4.740 0.013 0.000 0.209 291 N C 1.573 177.403 175.510 0.533 0.000 1.122 291 N CA 0.283 53.564 53.050 0.386 0.000 0.845 291 N CB 0.080 38.815 38.487 0.413 0.000 1.004 291 N HN 0.213 nan 8.380 nan 0.000 0.499 292 A N 1.047 124.086 122.820 0.365 0.000 1.883 292 A HA -0.205 4.122 4.320 0.013 0.000 0.217 292 A C 1.669 179.444 177.584 0.319 0.000 1.186 292 A CA 1.815 54.039 52.037 0.312 0.000 0.624 292 A CB -0.604 18.503 19.000 0.178 0.000 0.822 292 A HN 0.232 nan 8.150 nan 0.000 0.444 293 D N -1.733 118.847 120.400 0.300 0.000 2.117 293 D HA -0.168 4.479 4.640 0.013 0.000 0.197 293 D C 1.544 178.091 176.300 0.412 0.000 0.987 293 D CA 1.299 55.486 54.000 0.311 0.000 0.829 293 D CB -0.413 40.558 40.800 0.285 0.000 0.961 293 D HN 0.751 nan 8.370 nan 0.000 0.460 294 W N 0.259 121.730 121.300 0.285 0.000 2.381 294 W HA -0.121 4.547 4.660 0.014 0.000 0.301 294 W C 1.917 178.449 176.519 0.022 0.000 1.205 294 W CA 1.063 58.539 57.345 0.219 0.000 1.285 294 W CB -0.634 28.919 29.460 0.155 0.000 1.133 294 W HN -0.122 nan 8.180 nan 0.000 0.521 295 F N 0.501 120.530 119.950 0.131 0.000 2.134 295 F HA -0.140 4.394 4.527 0.012 0.000 0.299 295 F C 2.591 178.269 175.800 -0.203 0.000 1.097 295 F CA 1.995 59.899 58.000 -0.159 0.000 1.264 295 F CB -0.642 38.364 39.000 0.010 0.000 1.001 295 F HN -0.291 nan 8.300 nan 0.000 0.479 296 R N 0.021 120.583 120.500 0.104 0.000 2.096 296 R HA -0.205 4.143 4.340 0.013 0.000 0.235 296 R C 1.888 178.130 176.300 -0.098 0.000 1.127 296 R CA 1.650 57.763 56.100 0.022 0.000 0.968 296 R CB -0.534 29.809 30.300 0.071 0.000 0.861 296 R HN 0.204 nan 8.270 nan 0.000 0.440 297 N N -0.460 118.128 118.700 -0.186 0.000 2.188 297 N HA -0.112 4.635 4.740 0.013 0.000 0.184 297 N C 1.374 176.584 175.510 -0.499 0.000 1.018 297 N CA 0.928 53.746 53.050 -0.388 0.000 0.858 297 N CB 0.133 38.212 38.487 -0.681 0.000 0.989 297 N HN -0.042 nan 8.380 nan 0.000 0.426 298 V N -0.232 119.321 119.914 -0.603 0.000 2.287 298 V HA -0.215 3.913 4.120 0.013 0.000 0.248 298 V C 2.226 178.207 176.094 -0.188 0.000 1.053 298 V CA 1.494 63.518 62.300 -0.459 0.000 1.027 298 V CB -0.574 30.849 31.823 -0.667 0.000 0.646 298 V HN 0.192 nan 8.190 nan 0.000 0.447 299 V N 0.216 120.034 119.914 -0.160 0.000 2.343 299 V HA -0.244 3.884 4.120 0.013 0.000 0.247 299 V C 2.687 178.714 176.094 -0.113 0.000 1.051 299 V CA 1.971 64.222 62.300 -0.081 0.000 1.036 299 V CB -1.146 30.648 31.823 -0.049 0.000 0.654 299 V HN 0.561 nan 8.190 nan 0.000 0.451 300 A N 0.144 122.867 122.820 -0.161 0.000 1.902 300 A HA -0.226 4.101 4.320 0.013 0.000 0.217 300 A C 2.132 179.570 177.584 -0.244 0.000 1.181 300 A CA 1.980 53.915 52.037 -0.171 0.000 0.623 300 A CB -0.655 18.249 19.000 -0.159 0.000 0.818 300 A HN 0.612 nan 8.150 nan 0.000 0.443 301 N N 0.149 118.613 118.700 -0.393 0.000 2.142 301 N HA -0.112 4.636 4.740 0.013 0.000 0.186 301 N C 2.005 177.217 175.510 -0.495 0.000 1.023 301 N CA 1.309 53.962 53.050 -0.662 0.000 0.852 301 N CB -0.293 37.354 38.487 -1.400 0.000 0.998 301 N HN 0.473 nan 8.380 nan 0.000 0.424 302 A N 1.315 124.037 122.820 -0.163 0.000 1.933 302 A HA -0.005 4.322 4.320 0.013 0.000 0.218 302 A C 2.382 179.950 177.584 -0.027 0.000 1.175 302 A CA 1.761 53.865 52.037 0.112 0.000 0.628 302 A CB -0.615 18.480 19.000 0.158 0.000 0.814 302 A HN 0.336 nan 8.150 nan 0.000 0.444 303 A N -0.553 122.217 122.820 -0.083 0.000 1.930 303 A HA 0.013 4.340 4.320 0.013 0.000 0.217 303 A C 2.128 179.637 177.584 -0.125 0.000 1.175 303 A CA 1.663 53.646 52.037 -0.090 0.000 0.627 303 A CB -0.572 18.374 19.000 -0.090 0.000 0.815 303 A HN 0.679 nan 8.150 nan 0.000 0.443 304 L N 0.659 121.777 121.223 -0.175 0.000 1.994 304 L HA -0.127 4.221 4.340 0.013 0.000 0.208 304 L C 2.539 179.252 176.870 -0.261 0.000 1.071 304 L CA 2.589 57.298 54.840 -0.219 0.000 0.745 304 L CB -0.616 41.286 42.059 -0.260 0.000 0.892 304 L HN 0.365 nan 8.230 nan 0.000 0.431 305 V N -2.279 117.476 119.914 -0.266 0.000 2.515 305 V HA -0.094 4.033 4.120 0.013 0.000 0.250 305 V C 2.507 178.504 176.094 -0.162 0.000 1.058 305 V CA 1.359 63.494 62.300 -0.276 0.000 1.064 305 V CB -1.946 29.791 31.823 -0.143 0.000 0.675 305 V HN 0.456 nan 8.190 nan 0.000 0.461 306 A N 0.816 123.570 122.820 -0.110 0.000 1.873 306 A HA -0.118 4.209 4.320 0.013 0.000 0.215 306 A C 2.461 179.991 177.584 -0.090 0.000 1.186 306 A CA 1.834 53.822 52.037 -0.082 0.000 0.616 306 A CB -0.546 18.419 19.000 -0.059 0.000 0.823 306 A HN 0.542 nan 8.150 nan 0.000 0.442 307 R N -1.077 119.360 120.500 -0.106 0.000 2.075 307 R HA -0.041 4.307 4.340 0.013 0.000 0.232 307 R C 2.279 178.516 176.300 -0.106 0.000 1.126 307 R CA 1.671 57.713 56.100 -0.097 0.000 0.963 307 R CB -0.402 29.838 30.300 -0.100 0.000 0.858 307 R HN 0.548 nan 8.270 nan 0.000 0.435 308 M N -0.008 119.500 119.600 -0.155 0.000 2.159 308 M HA -0.115 4.373 4.480 0.013 0.000 0.263 308 M C 2.522 178.758 176.300 -0.107 0.000 1.063 308 M CA 1.688 56.888 55.300 -0.167 0.000 1.110 308 M CB -0.296 32.127 32.600 -0.296 0.000 1.374 308 M HN 0.221 nan 8.290 nan 0.000 0.411 309 A N 0.094 122.857 122.820 -0.094 0.000 1.902 309 A HA -0.202 4.125 4.320 0.013 0.000 0.217 309 A C 1.952 179.531 177.584 -0.009 0.000 1.181 309 A CA 2.062 54.080 52.037 -0.032 0.000 0.623 309 A CB -0.641 18.337 19.000 -0.037 0.000 0.818 309 A HN 0.446 nan 8.150 nan 0.000 0.443 310 E N 0.496 120.678 120.200 -0.030 0.000 2.077 310 E HA -0.082 4.276 4.350 0.013 0.000 0.193 310 E C 1.942 178.541 176.600 -0.002 0.000 0.989 310 E CA 1.714 58.104 56.400 -0.016 0.000 0.800 310 E CB -0.514 29.168 29.700 -0.030 0.000 0.746 310 E HN 0.454 nan 8.360 nan 0.000 0.452 311 A N 0.241 123.052 122.820 -0.015 0.000 1.969 311 A HA -0.080 4.247 4.320 0.013 0.000 0.218 311 A C 2.022 179.618 177.584 0.020 0.000 1.169 311 A CA 1.530 53.564 52.037 -0.005 0.000 0.635 311 A CB -0.255 18.731 19.000 -0.024 0.000 0.810 311 A HN 0.208 nan 8.150 nan 0.000 0.445 312 R N -1.776 118.744 120.500 0.033 0.000 2.397 312 R HA 0.293 4.640 4.340 0.013 0.000 0.241 312 R C 0.940 177.307 176.300 0.111 0.000 0.914 312 R CA 0.474 56.617 56.100 0.072 0.000 1.071 312 R CB 0.299 30.648 30.300 0.082 0.000 1.116 312 R HN 0.587 nan 8.270 nan 0.000 0.524 313 G N 2.071 110.938 108.800 0.112 0.000 2.221 313 G HA2 -0.263 3.705 3.960 0.013 0.000 0.265 313 G HA3 -0.263 3.705 3.960 0.013 0.000 0.265 313 G C -0.270 174.809 174.900 0.298 0.000 1.041 313 G CA 0.260 45.466 45.100 0.176 0.000 0.807 313 G HN 0.048 nan 8.290 nan 0.000 0.502 314 K N -0.491 120.039 120.400 0.217 0.000 2.258 314 K HA 0.707 5.035 4.320 0.013 0.000 0.236 314 K C 0.420 177.059 176.600 0.066 0.000 1.008 314 K CA -1.258 55.180 56.287 0.251 0.000 0.869 314 K CB 1.178 33.808 32.500 0.216 0.000 1.171 314 K HN 0.064 nan 8.250 nan 0.000 0.447 315 I N 3.654 124.234 120.570 0.017 0.000 2.315 315 I HA 0.245 4.423 4.170 0.013 0.000 0.291 315 I C -2.180 173.907 176.117 -0.049 0.000 1.006 315 I CA -2.858 58.377 61.300 -0.108 0.000 1.265 315 I CB 0.766 38.663 38.000 -0.173 0.000 1.387 315 I HN 0.164 nan 8.210 nan 0.000 0.475 316 P HA 0.432 nan 4.420 nan 0.000 0.290 316 P C -0.761 176.434 177.300 -0.175 0.000 1.276 316 P CA -0.274 62.778 63.100 -0.080 0.000 0.808 316 P CB 2.062 33.722 31.700 -0.067 0.000 0.966 317 V N 0.675 120.467 119.914 -0.204 0.000 3.188 317 V HA 0.564 4.692 4.120 0.013 0.000 0.305 317 V C -0.668 175.246 176.094 -0.300 0.000 1.232 317 V CA -1.213 60.829 62.300 -0.429 0.000 1.043 317 V CB 2.016 33.263 31.823 -0.960 0.000 1.068 317 V HN 0.277 nan 8.190 nan 0.000 0.439 318 I N 2.836 123.189 120.570 -0.361 0.000 2.291 318 I HA 0.306 4.483 4.170 0.013 0.000 0.290 318 I C 1.401 177.346 176.117 -0.286 0.000 1.050 318 I CA 0.006 61.007 61.300 -0.499 0.000 1.245 318 I CB 1.829 39.585 38.000 -0.405 0.000 1.405 318 I HN 0.909 nan 8.210 nan 0.000 0.478 319 S N 3.753 119.306 115.700 -0.244 0.000 2.470 319 S HA 0.154 4.632 4.470 0.013 0.000 0.225 319 S C 0.534 175.193 174.600 0.100 0.000 1.006 319 S CA 0.208 58.423 58.200 0.025 0.000 0.934 319 S CB 0.072 63.307 63.200 0.059 0.000 0.778 319 S HN 0.666 nan 8.310 nan 0.000 0.517 320 E N -0.164 120.030 120.200 -0.010 0.000 2.321 320 E HA 0.634 4.992 4.350 0.013 0.000 0.281 320 E C -1.822 174.693 176.600 -0.141 0.000 0.910 320 E CA -0.383 56.055 56.400 0.063 0.000 0.770 320 E CB 2.459 32.274 29.700 0.191 0.000 1.225 320 E HN 0.312 nan 8.360 nan 0.000 0.417 321 I N 1.665 122.181 120.570 -0.090 0.000 2.692 321 I HA 0.767 4.944 4.170 0.013 0.000 0.293 321 I C -0.891 175.242 176.117 0.027 0.000 1.200 321 I CA -0.185 61.056 61.300 -0.097 0.000 1.036 321 I CB 1.730 39.780 38.000 0.083 0.000 1.258 321 I HN 0.664 nan 8.210 nan 0.000 0.421 322 G N 6.317 115.066 108.800 -0.085 0.000 2.489 322 G HA2 0.456 4.423 3.960 0.013 0.000 0.305 322 G HA3 0.456 4.423 3.960 0.013 0.000 0.305 322 G C -1.858 173.033 174.900 -0.015 0.000 1.311 322 G CA -0.762 44.335 45.100 -0.004 0.000 0.813 322 G HN 0.554 nan 8.290 nan 0.000 0.480 323 I N 1.354 121.826 120.570 -0.164 0.000 2.392 323 I HA 0.351 4.528 4.170 0.013 0.000 0.295 323 I C 1.090 177.196 176.117 -0.018 0.000 0.985 323 I CA -0.873 60.296 61.300 -0.218 0.000 1.221 323 I CB 1.662 39.426 38.000 -0.394 0.000 1.366 323 I HN 0.636 nan 8.210 nan 0.000 0.467 324 R N 4.959 125.420 120.500 -0.064 0.000 2.638 324 R HA 0.116 4.463 4.340 0.013 0.000 0.268 324 R C 0.870 177.090 176.300 -0.134 0.000 1.006 324 R CA 0.259 56.301 56.100 -0.096 0.000 1.088 324 R CB 0.266 30.487 30.300 -0.131 0.000 0.950 324 R HN 0.768 nan 8.270 nan 0.000 0.419 325 A N 4.399 127.107 122.820 -0.187 0.000 1.908 325 A HA -0.084 4.243 4.320 0.013 0.000 0.218 325 A C -0.465 177.041 177.584 -0.131 0.000 1.181 325 A CA 1.066 53.008 52.037 -0.159 0.000 0.627 325 A CB -1.339 17.536 19.000 -0.208 0.000 0.818 325 A HN 0.774 nan 8.150 nan 0.000 0.445 326 P HA -0.143 nan 4.420 nan 0.000 0.216 326 P C 0.455 177.699 177.300 -0.092 0.000 1.153 326 P CA 1.549 64.582 63.100 -0.112 0.000 0.858 326 P CB -0.133 31.499 31.700 -0.114 0.000 0.789 327 D N -1.064 119.278 120.400 -0.098 0.000 2.144 327 D HA -0.093 4.554 4.640 0.013 0.000 0.199 327 D C 1.975 178.233 176.300 -0.069 0.000 0.984 327 D CA 0.889 54.837 54.000 -0.087 0.000 0.834 327 D CB -0.665 40.072 40.800 -0.106 0.000 0.955 327 D HN 0.199 nan 8.370 nan 0.000 0.465 328 I N 0.689 121.216 120.570 -0.072 0.000 2.406 328 I HA -0.141 4.037 4.170 0.013 0.000 0.249 328 I C 2.034 178.130 176.117 -0.036 0.000 1.122 328 I CA 0.826 62.096 61.300 -0.049 0.000 1.431 328 I CB 0.216 38.187 38.000 -0.049 0.000 1.087 328 I HN -0.152 nan 8.210 nan 0.000 0.424 329 E N 0.525 120.694 120.200 -0.050 0.000 2.358 329 E HA 0.008 4.366 4.350 0.013 0.000 0.195 329 E C 1.868 178.444 176.600 -0.040 0.000 1.010 329 E CA 0.676 57.047 56.400 -0.048 0.000 0.856 329 E CB 0.134 29.793 29.700 -0.067 0.000 0.795 329 E HN 0.413 nan 8.360 nan 0.000 0.504 330 A N -0.162 122.634 122.820 -0.039 0.000 2.251 330 A HA 0.310 4.637 4.320 0.013 0.000 0.209 330 A C 1.583 179.162 177.584 -0.008 0.000 1.187 330 A CA 0.825 52.844 52.037 -0.030 0.000 0.823 330 A CB -0.177 18.799 19.000 -0.040 0.000 0.846 330 A HN 0.211 nan 8.150 nan 0.000 0.486 331 G N -0.941 107.862 108.800 0.005 0.000 2.143 331 G HA2 -0.229 3.738 3.960 0.013 0.000 0.248 331 G HA3 -0.229 3.738 3.960 0.013 0.000 0.248 331 G C 0.097 175.058 174.900 0.102 0.000 0.991 331 G CA 0.471 45.597 45.100 0.044 0.000 0.689 331 G HN 0.458 nan 8.290 nan 0.000 0.522 332 L N -0.439 120.812 121.223 0.047 0.000 2.439 332 L HA 0.765 5.112 4.340 0.013 0.000 0.261 332 L C 0.561 177.479 176.870 0.079 0.000 1.153 332 L CA -1.171 53.672 54.840 0.005 0.000 0.808 332 L CB 0.871 42.883 42.059 -0.077 0.000 1.126 332 L HN 0.405 nan 8.230 nan 0.000 0.460 333 Y N -1.335 118.951 120.300 -0.023 0.000 2.581 333 Y HA 0.554 5.111 4.550 0.012 0.000 0.337 333 Y C -1.513 174.402 175.900 0.025 0.000 1.108 333 Y CA -1.567 56.521 58.100 -0.020 0.000 1.033 333 Y CB 1.334 39.792 38.460 -0.004 0.000 1.318 333 Y HN 0.381 nan 8.280 nan 0.000 0.459 334 D N 2.012 122.525 120.400 0.188 0.000 2.462 334 D HA 0.180 4.828 4.640 0.013 0.000 0.245 334 D C -0.305 176.213 176.300 0.363 0.000 1.122 334 D CA -0.596 53.540 54.000 0.227 0.000 0.864 334 D CB 0.696 41.672 40.800 0.294 0.000 1.098 334 D HN 0.749 nan 8.370 nan 0.000 0.541 335 N N 2.368 121.297 118.700 0.382 0.000 2.449 335 N HA -0.066 4.682 4.740 0.013 0.000 0.191 335 N C 0.367 176.048 175.510 0.284 0.000 1.161 335 N CA 0.406 53.660 53.050 0.340 0.000 0.863 335 N CB 0.086 38.758 38.487 0.309 0.000 0.980 335 N HN 0.450 nan 8.380 nan 0.000 0.458 336 Q N -1.725 118.244 119.800 0.281 0.000 2.159 336 Q HA 0.147 4.495 4.340 0.013 0.000 0.217 336 Q C 0.313 176.469 176.000 0.261 0.000 0.818 336 Q CA -0.543 55.394 55.803 0.225 0.000 1.008 336 Q CB 0.027 28.843 28.738 0.129 0.000 1.148 336 Q HN 0.394 nan 8.270 nan 0.000 0.491 337 W N 0.149 121.556 121.300 0.179 0.000 2.354 337 W HA -0.237 4.430 4.660 0.013 0.000 0.315 337 W C 1.137 177.751 176.519 0.159 0.000 1.206 337 W CA 1.792 59.258 57.345 0.202 0.000 1.290 337 W CB -0.123 29.410 29.460 0.122 0.000 1.152 337 W HN 0.191 nan 8.180 nan 0.000 0.489 338 Y N -0.103 120.464 120.300 0.445 0.000 2.242 338 Y HA -0.158 4.400 4.550 0.013 0.000 0.291 338 Y C 2.622 178.660 175.900 0.229 0.000 1.137 338 Y CA 2.035 60.279 58.100 0.241 0.000 1.181 338 Y CB -0.678 37.901 38.460 0.197 0.000 0.989 338 Y HN -0.151 nan 8.280 nan 0.000 0.527 339 R N 0.242 120.937 120.500 0.325 0.000 2.075 339 R HA -0.145 4.203 4.340 0.013 0.000 0.232 339 R C 2.084 178.394 176.300 0.017 0.000 1.126 339 R CA 1.510 57.722 56.100 0.186 0.000 0.963 339 R CB -0.196 30.185 30.300 0.136 0.000 0.858 339 R HN 0.284 nan 8.270 nan 0.000 0.435 340 K N 0.329 120.629 120.400 -0.167 0.000 2.097 340 K HA -0.162 4.166 4.320 0.013 0.000 0.206 340 K C 1.967 178.290 176.600 -0.462 0.000 1.049 340 K CA 1.038 57.024 56.287 -0.501 0.000 0.933 340 K CB -0.191 31.628 32.500 -1.135 0.000 0.717 340 K HN 0.020 nan 8.250 nan 0.000 0.442 341 L N 1.047 122.117 121.223 -0.255 0.000 1.988 341 L HA -0.122 4.226 4.340 0.013 0.000 0.207 341 L C 2.065 179.015 176.870 0.132 0.000 1.071 341 L CA 1.443 56.305 54.840 0.036 0.000 0.744 341 L CB -0.499 41.539 42.059 -0.035 0.000 0.893 341 L HN 0.091 nan 8.230 nan 0.000 0.433 342 I N -1.204 119.520 120.570 0.256 0.000 2.315 342 I HA -0.211 3.967 4.170 0.013 0.000 0.248 342 I C 2.683 178.850 176.117 0.083 0.000 1.117 342 I CA 1.684 63.124 61.300 0.234 0.000 1.404 342 I CB -0.551 37.587 38.000 0.232 0.000 1.071 342 I HN 0.471 nan 8.210 nan 0.000 0.419 343 S N 0.216 115.933 115.700 0.028 0.000 2.348 343 S HA -0.136 4.342 4.470 0.013 0.000 0.221 343 S C 2.280 176.852 174.600 -0.047 0.000 1.033 343 S CA 1.591 59.773 58.200 -0.031 0.000 1.010 343 S CB -1.152 62.016 63.200 -0.055 0.000 0.891 343 S HN 0.587 nan 8.310 nan 0.000 0.442 344 G N 1.318 110.088 108.800 -0.051 0.000 2.418 344 G HA2 -0.068 3.900 3.960 0.013 0.000 0.217 344 G HA3 -0.068 3.900 3.960 0.013 0.000 0.217 344 G C 1.496 176.387 174.900 -0.015 0.000 1.158 344 G CA 0.898 45.975 45.100 -0.037 0.000 0.771 344 G HN 0.514 nan 8.290 nan 0.000 0.545 345 L N 0.780 122.015 121.223 0.020 0.000 2.027 345 L HA -0.040 4.308 4.340 0.013 0.000 0.206 345 L C 2.988 179.856 176.870 -0.003 0.000 1.074 345 L CA 1.811 56.674 54.840 0.038 0.000 0.745 345 L CB -0.308 41.815 42.059 0.108 0.000 0.898 345 L HN 0.362 nan 8.230 nan 0.000 0.433 346 K N 0.361 120.735 120.400 -0.043 0.000 2.288 346 K HA -0.011 4.316 4.320 0.013 0.000 0.201 346 K C 1.905 178.356 176.600 -0.247 0.000 1.048 346 K CA 1.063 57.210 56.287 -0.233 0.000 0.956 346 K CB -0.145 32.114 32.500 -0.402 0.000 0.746 346 K HN 0.169 nan 8.250 nan 0.000 0.461 347 A N 1.610 124.341 122.820 -0.149 0.000 2.014 347 A HA -0.089 4.239 4.320 0.013 0.000 0.218 347 A C 0.800 178.321 177.584 -0.105 0.000 1.163 347 A CA 0.815 52.776 52.037 -0.127 0.000 0.652 347 A CB -0.271 18.674 19.000 -0.091 0.000 0.808 347 A HN 0.469 nan 8.150 nan 0.000 0.449 348 D N -0.079 120.269 120.400 -0.087 0.000 2.277 348 D HA 0.174 4.822 4.640 0.013 0.000 0.249 348 D C -1.733 174.522 176.300 -0.074 0.000 1.134 348 D CA -1.685 52.274 54.000 -0.069 0.000 0.863 348 D CB 1.504 42.274 40.800 -0.051 0.000 1.143 348 D HN 0.069 nan 8.370 nan 0.000 0.458 349 P HA -0.068 nan 4.420 nan 0.000 0.223 349 P C 0.388 177.655 177.300 -0.056 0.000 1.151 349 P CA 0.759 63.817 63.100 -0.070 0.000 0.787 349 P CB 0.756 32.417 31.700 -0.064 0.000 0.788 350 D N -0.003 120.366 120.400 -0.051 0.000 2.290 350 D HA 0.058 4.706 4.640 0.013 0.000 0.224 350 D C 2.158 178.439 176.300 -0.032 0.000 0.967 350 D CA 0.953 54.925 54.000 -0.047 0.000 0.893 350 D CB -0.695 40.070 40.800 -0.059 0.000 1.037 350 D HN 0.018 nan 8.370 nan 0.000 0.477 351 A N 2.100 124.904 122.820 -0.027 0.000 1.978 351 A HA -0.225 4.103 4.320 0.013 0.000 0.220 351 A C 2.118 179.725 177.584 0.039 0.000 1.170 351 A CA 1.740 53.778 52.037 0.001 0.000 0.636 351 A CB -0.730 18.268 19.000 -0.003 0.000 0.810 351 A HN 0.317 nan 8.150 nan 0.000 0.448 352 R N 0.060 120.583 120.500 0.038 0.000 2.193 352 R HA -0.088 4.259 4.340 0.013 0.000 0.229 352 R C 0.969 177.386 176.300 0.194 0.000 1.110 352 R CA 1.599 57.780 56.100 0.136 0.000 0.988 352 R CB -0.474 29.824 30.300 -0.004 0.000 0.871 352 R HN 0.577 nan 8.270 nan 0.000 0.458 353 E N 1.812 122.054 120.200 0.069 0.000 2.494 353 E HA 0.061 4.418 4.350 0.013 0.000 0.193 353 E C 0.549 177.138 176.600 -0.018 0.000 1.074 353 E CA -0.072 56.340 56.400 0.020 0.000 0.867 353 E CB -0.048 29.639 29.700 -0.022 0.000 0.924 353 E HN 0.556 nan 8.360 nan 0.000 0.502 354 I N -2.152 118.416 120.570 -0.003 0.000 2.754 354 I HA 0.115 4.293 4.170 0.013 0.000 0.285 354 I C 1.223 177.296 176.117 -0.074 0.000 1.166 354 I CA -0.291 60.975 61.300 -0.056 0.000 1.417 354 I CB 1.078 39.051 38.000 -0.045 0.000 1.382 354 I HN -0.217 nan 8.210 nan 0.000 0.588 355 A N 5.679 128.418 122.820 -0.135 0.000 1.898 355 A HA 0.209 4.536 4.320 0.013 0.000 0.214 355 A C 0.636 178.269 177.584 0.082 0.000 1.183 355 A CA 1.083 53.082 52.037 -0.063 0.000 0.622 355 A CB -0.403 18.568 19.000 -0.048 0.000 0.824 355 A HN 0.899 nan 8.150 nan 0.000 0.444 356 F N -2.638 117.312 119.950 -0.000 0.000 2.686 356 F HA 0.648 5.184 4.527 0.014 0.000 0.311 356 F C -1.388 174.423 175.800 0.019 0.000 1.128 356 F CA -2.285 55.723 58.000 0.013 0.000 0.946 356 F CB 0.868 39.870 39.000 0.003 0.000 1.336 356 F HN 0.116 nan 8.300 nan 0.000 0.457 357 L N 1.418 122.857 121.223 0.359 0.000 2.381 357 L HA 0.877 5.225 4.340 0.013 0.000 0.268 357 L C -1.707 175.328 176.870 0.274 0.000 0.997 357 L CA -1.040 53.957 54.840 0.263 0.000 0.818 357 L CB 1.962 44.156 42.059 0.225 0.000 1.310 357 L HN 0.969 nan 8.230 nan 0.000 0.416 358 L N 3.364 124.709 121.223 0.204 0.000 2.349 358 L HA 0.750 5.098 4.340 0.013 0.000 0.278 358 L C -1.012 175.924 176.870 0.110 0.000 0.996 358 L CA -0.632 54.235 54.840 0.045 0.000 0.825 358 L CB 1.851 43.949 42.059 0.064 0.000 1.243 358 L HN 0.611 nan 8.230 nan 0.000 0.412 359 V N 4.563 124.540 119.914 0.103 0.000 2.509 359 V HA 0.266 4.393 4.120 0.013 0.000 0.284 359 V C -0.719 175.567 176.094 0.320 0.000 1.047 359 V CA -0.302 62.178 62.300 0.301 0.000 0.952 359 V CB 1.532 33.645 31.823 0.484 0.000 0.988 359 V HN 0.724 nan 8.190 nan 0.000 0.469 360 W N 7.010 128.409 121.300 0.166 0.000 2.362 360 W HA 0.483 5.151 4.660 0.012 0.000 0.316 360 W C 0.437 177.084 176.519 0.213 0.000 1.024 360 W CA -1.132 56.314 57.345 0.168 0.000 1.270 360 W CB 1.195 30.811 29.460 0.260 0.000 1.273 360 W HN 0.918 nan 8.180 nan 0.000 0.424 389 N N 2.377 121.030 118.700 -0.079 0.000 2.936 389 N HA -0.201 4.547 4.740 0.013 0.000 0.236 389 N C 0.682 176.140 175.510 -0.087 0.000 0.930 389 N CA 1.717 54.729 53.050 -0.063 0.000 0.966 389 N CB -0.956 37.505 38.487 -0.043 0.000 1.090 389 N HN 0.883 nan 8.380 nan 0.000 0.592 390 N N 0.043 118.635 118.700 -0.180 0.000 2.336 390 N HA 0.239 4.987 4.740 0.013 0.000 0.189 390 N C 1.240 176.659 175.510 -0.152 0.000 1.113 390 N CA 1.275 54.145 53.050 -0.301 0.000 0.858 390 N CB -0.059 37.887 38.487 -0.901 0.000 0.970 390 N HN 0.433 nan 8.380 nan 0.000 0.471 391 G N -0.501 108.262 108.800 -0.061 0.000 2.159 391 G HA2 -0.358 3.610 3.960 0.013 0.000 0.256 391 G HA3 -0.358 3.610 3.960 0.013 0.000 0.256 391 G C 0.964 175.902 174.900 0.063 0.000 0.977 391 G CA 0.920 46.035 45.100 0.026 0.000 0.652 391 G HN 0.597 nan 8.290 nan 0.000 0.531 392 T N -1.610 112.954 114.554 0.018 0.000 2.942 392 T HA 0.184 4.542 4.350 0.013 0.000 0.265 392 T C 2.287 177.051 174.700 0.108 0.000 1.062 392 T CA 1.498 63.655 62.100 0.096 0.000 1.139 392 T CB -0.025 68.869 68.868 0.043 0.000 0.883 392 T HN 0.713 nan 8.240 nan 0.000 0.468 393 L N 1.684 122.932 121.223 0.041 0.000 2.046 393 L HA 0.048 4.396 4.340 0.013 0.000 0.208 393 L C 2.283 179.200 176.870 0.078 0.000 1.077 393 L CA 1.847 56.714 54.840 0.044 0.000 0.747 393 L CB -0.857 41.200 42.059 -0.003 0.000 0.896 393 L HN 0.099 nan 8.230 nan 0.000 0.432 394 E N -0.343 119.896 120.200 0.064 0.000 2.106 394 E HA -0.219 4.138 4.350 0.013 0.000 0.192 394 E C 1.862 178.523 176.600 0.101 0.000 0.984 394 E CA 1.237 57.674 56.400 0.062 0.000 0.806 394 E CB -0.336 29.393 29.700 0.050 0.000 0.750 394 E HN 0.624 nan 8.360 nan 0.000 0.458 395 D N -0.561 119.935 120.400 0.159 0.000 2.092 395 D HA -0.194 4.453 4.640 0.013 0.000 0.193 395 D C 1.563 178.011 176.300 0.246 0.000 0.994 395 D CA 0.890 55.032 54.000 0.237 0.000 0.828 395 D CB -0.192 40.808 40.800 0.333 0.000 0.963 395 D HN 0.164 nan 8.370 nan 0.000 0.450 396 F N 0.915 120.867 119.950 0.003 0.000 2.186 396 F HA -0.030 4.504 4.527 0.012 0.000 0.299 396 F C 2.344 178.098 175.800 -0.077 0.000 1.090 396 F CA 1.240 59.096 58.000 -0.239 0.000 1.307 396 F CB -0.261 38.472 39.000 -0.446 0.000 1.019 396 F HN 0.017 nan 8.300 nan 0.000 0.489 397 Q N -0.314 119.468 119.800 -0.029 0.000 2.167 397 Q HA -0.144 4.203 4.340 0.013 0.000 0.202 397 Q C 2.431 178.398 176.000 -0.056 0.000 0.970 397 Q CA 1.306 57.050 55.803 -0.097 0.000 0.855 397 Q CB -0.392 28.316 28.738 -0.049 0.000 0.911 397 Q HN 0.506 nan 8.270 nan 0.000 0.438 398 A N 0.394 123.218 122.820 0.005 0.000 1.898 398 A HA -0.175 4.153 4.320 0.013 0.000 0.216 398 A C 1.827 179.421 177.584 0.017 0.000 1.181 398 A CA 0.932 52.982 52.037 0.023 0.000 0.620 398 A CB -0.723 18.319 19.000 0.070 0.000 0.819 398 A HN 0.480 nan 8.150 nan 0.000 0.442 399 F N -0.818 119.052 119.950 -0.132 0.000 2.134 399 F HA -0.216 4.318 4.527 0.012 0.000 0.299 399 F C 2.128 177.798 175.800 -0.216 0.000 1.097 399 F CA 2.071 59.991 58.000 -0.134 0.000 1.264 399 F CB -0.428 38.487 39.000 -0.141 0.000 1.001 399 F HN 0.377 nan 8.300 nan 0.000 0.479 400 Y N 0.923 120.967 120.300 -0.426 0.000 2.181 400 Y HA -0.144 4.413 4.550 0.013 0.000 0.288 400 Y C 2.279 177.911 175.900 -0.447 0.000 1.146 400 Y CA 1.641 59.332 58.100 -0.682 0.000 1.164 400 Y CB -0.874 37.002 38.460 -0.973 0.000 0.982 400 Y HN 0.078 nan 8.280 nan 0.000 0.515 401 A N -0.239 122.397 122.820 -0.306 0.000 2.119 401 A HA -0.107 4.221 4.320 0.013 0.000 0.217 401 A C 0.989 178.416 177.584 -0.261 0.000 1.153 401 A CA 0.669 52.539 52.037 -0.278 0.000 0.692 401 A CB -0.781 18.157 19.000 -0.103 0.000 0.799 401 A HN 0.523 nan 8.150 nan 0.000 0.458 402 D N 0.395 120.647 120.400 -0.247 0.000 2.493 402 D HA -0.075 4.573 4.640 0.013 0.000 0.240 402 D C 0.980 177.177 176.300 -0.172 0.000 1.142 402 D CA 0.142 54.034 54.000 -0.179 0.000 0.872 402 D CB 0.514 41.203 40.800 -0.185 0.000 1.173 402 D HN 0.383 nan 8.370 nan 0.000 0.467 403 E N 3.745 123.896 120.200 -0.082 0.000 2.209 403 E HA -0.226 4.131 4.350 0.013 0.000 0.196 403 E C 1.254 177.880 176.600 0.043 0.000 0.993 403 E CA 0.873 57.252 56.400 -0.034 0.000 0.819 403 E CB -0.105 29.601 29.700 0.009 0.000 0.745 403 E HN 0.562 nan 8.360 nan 0.000 0.477 404 F N 1.281 121.153 119.950 -0.130 0.000 2.754 404 F HA 0.053 4.587 4.527 0.012 0.000 0.297 404 F C 0.780 176.512 175.800 -0.112 0.000 1.122 404 F CA 0.661 58.602 58.000 -0.098 0.000 1.400 404 F CB 0.128 39.077 39.000 -0.085 0.000 1.117 404 F HN -0.173 nan 8.300 nan 0.000 0.587 405 T N -0.358 114.105 114.554 -0.151 0.000 2.909 405 T HA 0.709 5.067 4.350 0.013 0.000 0.289 405 T C -0.227 174.434 174.700 -0.064 0.000 1.005 405 T CA -0.430 61.551 62.100 -0.197 0.000 1.084 405 T CB 1.752 70.361 68.868 -0.431 0.000 0.975 405 T HN 0.186 nan 8.240 nan 0.000 0.509 406 A N 2.689 125.531 122.820 0.037 0.000 2.335 406 A HA 0.743 5.070 4.320 0.013 0.000 0.304 406 A C -0.930 176.800 177.584 0.243 0.000 1.118 406 A CA -0.829 51.286 52.037 0.130 0.000 0.757 406 A CB 0.530 19.563 19.000 0.056 0.000 1.188 406 A HN 0.694 nan 8.150 nan 0.000 0.460 407 F N 0.655 120.676 119.950 0.118 0.000 2.544 407 F HA 0.425 4.960 4.527 0.013 0.000 0.378 407 F C 1.745 177.683 175.800 0.230 0.000 1.112 407 F CA -0.798 57.351 58.000 0.248 0.000 1.115 407 F CB 0.727 39.937 39.000 0.350 0.000 1.436 407 F HN 0.595 nan 8.300 nan 0.000 0.496 408 N N 0.376 119.359 118.700 0.472 0.000 2.166 408 N HA -0.127 4.620 4.740 0.013 0.000 0.186 408 N C 1.619 177.303 175.510 0.291 0.000 1.019 408 N CA 1.403 54.673 53.050 0.368 0.000 0.856 408 N CB -0.023 38.749 38.487 0.474 0.000 0.993 408 N HN 0.397 nan 8.380 nan 0.000 0.426 409 R N 0.013 120.697 120.500 0.305 0.000 2.280 409 R HA 0.017 4.365 4.340 0.013 0.000 0.207 409 R C 0.435 176.832 176.300 0.161 0.000 1.043 409 R CA 0.669 56.898 56.100 0.215 0.000 1.006 409 R CB 0.101 30.526 30.300 0.209 0.000 0.885 409 R HN 0.290 nan 8.270 nan 0.000 0.467 410 D N 0.968 121.476 120.400 0.179 0.000 2.355 410 D HA 0.012 4.659 4.640 0.013 0.000 0.218 410 D C 0.854 177.232 176.300 0.130 0.000 1.004 410 D CA 0.545 54.621 54.000 0.127 0.000 0.880 410 D CB 0.226 41.096 40.800 0.116 0.000 0.911 410 D HN 0.337 nan 8.370 nan 0.000 0.528 411 I N -0.788 119.868 120.570 0.142 0.000 2.493 411 I HA 0.531 4.708 4.170 0.013 0.000 0.298 411 I C -0.595 175.542 176.117 0.033 0.000 0.998 411 I CA -0.894 60.492 61.300 0.143 0.000 1.137 411 I CB 2.032 40.117 38.000 0.140 0.000 1.310 411 I HN -0.245 nan 8.210 nan 0.000 0.445 412 E N 3.421 123.633 120.200 0.021 0.000 2.413 412 E HA 0.372 4.729 4.350 0.013 0.000 0.277 412 E C -1.236 175.327 176.600 -0.061 0.000 0.958 412 E CA -0.989 55.395 56.400 -0.027 0.000 0.779 412 E CB 1.478 31.197 29.700 0.030 0.000 1.278 412 E HN 0.695 nan 8.360 nan 0.000 0.456 413 Q N 0.173 119.926 119.800 -0.077 0.000 2.463 413 Q HA -0.189 4.158 4.340 0.013 0.000 0.299 413 Q C 0.523 176.436 176.000 -0.145 0.000 1.353 413 Q CA 0.551 56.325 55.803 -0.048 0.000 0.828 413 Q CB -1.700 27.059 28.738 0.036 0.000 1.157 413 Q HN 0.555 nan 8.270 nan 0.000 0.436 414 V N -1.513 118.135 119.914 -0.444 0.000 2.488 414 V HA -0.171 3.956 4.120 0.013 0.000 0.246 414 V C 1.169 176.930 176.094 -0.556 0.000 1.046 414 V CA 2.024 63.794 62.300 -0.882 0.000 1.053 414 V CB -0.202 30.766 31.823 -1.425 0.000 0.679 414 V HN 0.522 nan 8.190 nan 0.000 0.458 415 Y N -1.070 119.195 120.300 -0.059 0.000 2.481 415 Y HA 0.286 4.843 4.550 0.013 0.000 0.247 415 Y C 1.800 177.729 175.900 0.047 0.000 1.151 415 Y CA -0.057 58.061 58.100 0.030 0.000 1.238 415 Y CB 0.593 39.076 38.460 0.038 0.000 1.179 415 Y HN 0.212 nan 8.280 nan 0.000 0.524 416 Q N 0.495 120.377 119.800 0.137 0.000 2.141 416 Q HA 0.219 4.567 4.340 0.013 0.000 0.248 416 Q C -0.342 175.709 176.000 0.085 0.000 0.834 416 Q CA -0.217 55.649 55.803 0.105 0.000 1.096 416 Q CB 0.655 29.438 28.738 0.075 0.000 1.189 416 Q HN 0.268 nan 8.270 nan 0.000 0.471 417 R N 2.533 123.090 120.500 0.095 0.000 2.389 417 R HA 0.193 4.541 4.340 0.013 0.000 0.295 417 R C -2.287 174.068 176.300 0.092 0.000 1.075 417 R CA -1.515 54.641 56.100 0.094 0.000 1.005 417 R CB 0.027 30.397 30.300 0.117 0.000 0.987 417 R HN 0.001 nan 8.270 nan 0.000 0.452 418 P HA 0.019 nan 4.420 nan 0.000 0.271 418 P C -0.612 176.732 177.300 0.073 0.000 1.216 418 P CA -0.108 63.032 63.100 0.067 0.000 0.771 418 P CB 1.258 32.989 31.700 0.052 0.000 0.864 419 T N 0.460 115.057 114.554 0.071 0.000 2.865 419 T HA 0.762 5.120 4.350 0.013 0.000 0.294 419 T C -0.246 174.485 174.700 0.052 0.000 1.119 419 T CA -0.817 61.326 62.100 0.071 0.000 1.007 419 T CB 1.057 69.979 68.868 0.089 0.000 1.225 419 T HN 0.182 nan 8.240 nan 0.000 0.515 420 L N 0.000 121.251 121.223 0.046 0.000 2.949 420 L HA 0.000 4.348 4.340 0.013 0.000 0.249 420 L CA 0.000 54.859 54.840 0.032 0.000 0.813 420 L CB 0.000 42.077 42.059 0.029 0.000 0.961 420 L HN 0.000 nan 8.230 nan 0.000 0.502