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 2bh2_1_A DATA FIRST_RESID 15 DATA SEQUENCE QIITVSVNDL DSFGQGVARH NGKTLFIPGL LPQENAEVTV TEDKKQYARA DATA SEQUENCE KVVRRLSDSP ERETPRCPHF GVCGGCQQQH ASVDLQQRSK SAALARLMKH DATA SEQUENCE DVSEVIADVP WGYRRRARLS LNYLPKTQQL QMGFRKAGSS DIVDVKQCPI DATA SEQUENCE LAPQLEALLP KVRACLGSLQ AMRHLGHVEL VQATSGTLMI LRHTAPLSSA DATA SEQUENCE DREKLERFSH SEGLDLYLAP DSEILETVSG EMPWYDSNGL RLTFSPRDFI DATA SEQUENCE QVNAGVNQKM VARALEWLDV QPEDRVLDLF CGMGNFTLPL ATQAASVVGV DATA SEQUENCE EGVPALVEKG QQNARLNGLQ NVTFYHENLE EDVTKQPWAK NGFDKVLLDP DATA SEQUENCE ARAGAAGVMQ QIIKLEPIRI VYVSCNPATL ARDSEALLKA GYTIARLAML DATA SEQUENCE DMFPHTGHLE SMVLFSRV 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 15 Q HA 0.000 nan 4.340 nan 0.000 0.214 15 Q C 0.000 175.976 176.000 -0.039 0.000 1.003 15 Q CA 0.000 55.788 55.803 -0.026 0.000 1.022 15 Q CB 0.000 28.728 28.738 -0.016 0.000 1.108 16 I N 2.603 123.152 120.570 -0.034 0.000 2.452 16 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 16 I C -0.016 176.064 176.117 -0.062 0.000 1.079 16 I CA 0.167 61.442 61.300 -0.041 0.000 1.387 16 I CB 0.550 38.535 38.000 -0.025 0.000 1.404 16 I HN 0.136 nan 8.210 nan 0.000 0.522 17 I N 4.896 125.407 120.570 -0.098 0.000 2.797 17 I HA 0.470 4.640 4.170 -0.000 0.000 0.307 17 I C 0.262 176.304 176.117 -0.126 0.000 1.033 17 I CA -0.253 60.941 61.300 -0.178 0.000 1.071 17 I CB 2.300 40.095 38.000 -0.341 0.000 1.255 17 I HN 0.507 nan 8.210 nan 0.000 0.445 18 T N 3.396 117.883 114.554 -0.112 0.000 2.940 18 T HA 0.881 5.231 4.350 -0.000 0.000 0.288 18 T C -1.417 173.283 174.700 -0.000 0.000 1.033 18 T CA -0.434 61.649 62.100 -0.029 0.000 1.033 18 T CB 0.959 69.833 68.868 0.009 0.000 1.079 18 T HN 0.373 nan 8.240 nan 0.000 0.496 19 V N 2.141 122.067 119.914 0.019 0.000 3.108 19 V HA 0.588 4.708 4.120 -0.000 0.000 0.287 19 V C -1.362 174.753 176.094 0.035 0.000 1.436 19 V CA -0.798 61.523 62.300 0.033 0.000 1.001 19 V CB 2.803 34.634 31.823 0.013 0.000 1.141 19 V HN 1.030 nan 8.190 nan 0.000 0.443 20 S N 2.497 118.221 115.700 0.039 0.000 2.733 20 S HA 0.610 5.080 4.470 -0.000 0.000 0.294 20 S C -0.833 173.788 174.600 0.034 0.000 1.149 20 S CA -0.514 57.707 58.200 0.034 0.000 1.034 20 S CB 1.797 65.016 63.200 0.030 0.000 1.015 20 S HN 0.523 nan 8.310 nan 0.000 0.486 21 V N 3.999 123.936 119.914 0.039 0.000 2.465 21 V HA 0.393 4.513 4.120 -0.000 0.000 0.279 21 V C 0.809 176.925 176.094 0.037 0.000 1.045 21 V CA -0.443 61.883 62.300 0.043 0.000 0.938 21 V CB 1.052 32.911 31.823 0.061 0.000 0.986 21 V HN 1.054 nan 8.190 nan 0.000 0.467 22 N N 1.664 120.384 118.700 0.032 0.000 2.240 22 N HA 0.247 4.987 4.740 -0.000 0.000 0.240 22 N C -0.763 174.763 175.510 0.026 0.000 1.277 22 N CA -0.440 52.625 53.050 0.025 0.000 0.873 22 N CB 1.020 39.518 38.487 0.017 0.000 1.222 22 N HN 0.589 nan 8.380 nan 0.000 0.507 23 D N 0.668 121.091 120.400 0.039 0.000 2.717 23 D HA 0.360 5.000 4.640 -0.000 0.000 0.223 23 D C -2.105 174.234 176.300 0.063 0.000 1.240 23 D CA -0.523 53.503 54.000 0.043 0.000 0.801 23 D CB 2.485 43.313 40.800 0.046 0.000 1.556 23 D HN 0.055 nan 8.370 nan 0.000 0.462 24 L N 3.252 124.503 121.223 0.047 0.000 2.319 24 L HA 0.433 4.773 4.340 -0.000 0.000 0.281 24 L C -0.606 176.284 176.870 0.033 0.000 1.005 24 L CA -0.521 54.350 54.840 0.051 0.000 0.828 24 L CB 1.084 43.152 42.059 0.015 0.000 1.227 24 L HN 0.441 nan 8.230 nan 0.000 0.415 25 D N 1.761 122.200 120.400 0.065 0.000 2.369 25 D HA 0.034 4.674 4.640 -0.000 0.000 0.241 25 D C 1.107 177.324 176.300 -0.139 0.000 1.271 25 D CA 0.368 54.364 54.000 -0.008 0.000 0.942 25 D CB 0.497 41.338 40.800 0.068 0.000 1.129 25 D HN 0.489 nan 8.370 nan 0.000 0.476 26 S N -1.093 114.387 115.700 -0.367 0.000 2.453 26 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 26 S C 1.434 175.774 174.600 -0.433 0.000 1.005 26 S CA 0.010 57.951 58.200 -0.433 0.000 0.949 26 S CB -0.848 62.032 63.200 -0.533 0.000 0.774 26 S HN 0.486 nan 8.310 nan 0.000 0.510 27 F N 2.151 122.033 119.950 -0.113 0.000 2.804 27 F HA 0.400 4.927 4.527 -0.000 0.000 0.303 27 F C 1.950 177.722 175.800 -0.048 0.000 1.154 27 F CA 0.050 57.973 58.000 -0.128 0.000 1.401 27 F CB -0.505 38.374 39.000 -0.201 0.000 1.106 27 F HN 0.391 nan 8.300 nan 0.000 0.568 28 G N 0.460 109.320 108.800 0.100 0.000 2.159 28 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.256 28 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.256 28 G C -0.038 174.975 174.900 0.188 0.000 0.977 28 G CA -0.231 44.952 45.100 0.139 0.000 0.652 28 G HN 0.449 nan 8.290 nan 0.000 0.531 29 Q N -0.106 119.792 119.800 0.165 0.000 2.266 29 Q HA 0.607 4.947 4.340 -0.000 0.000 0.261 29 Q C 0.668 176.793 176.000 0.207 0.000 0.985 29 Q CA -0.470 55.449 55.803 0.194 0.000 0.873 29 Q CB 1.670 30.511 28.738 0.171 0.000 1.306 29 Q HN 0.440 nan 8.270 nan 0.000 0.447 30 G N 0.467 109.391 108.800 0.206 0.000 2.483 30 G HA2 0.408 4.368 3.960 -0.000 0.000 0.248 30 G HA3 0.408 4.368 3.960 -0.000 0.000 0.248 30 G C -0.662 174.361 174.900 0.205 0.000 1.248 30 G CA -0.332 44.872 45.100 0.175 0.000 0.838 30 G HN 0.342 nan 8.290 nan 0.000 0.566 31 V N 1.049 121.052 119.914 0.149 0.000 2.487 31 V HA 0.764 4.884 4.120 -0.000 0.000 0.298 31 V C 0.421 176.527 176.094 0.020 0.000 1.028 31 V CA -0.416 61.933 62.300 0.083 0.000 0.860 31 V CB 0.823 32.703 31.823 0.094 0.000 0.991 31 V HN 1.180 nan 8.190 nan 0.000 0.427 32 A N 5.326 128.133 122.820 -0.021 0.000 2.437 32 A HA 1.024 5.344 4.320 -0.000 0.000 0.288 32 A C -0.899 176.665 177.584 -0.033 0.000 1.201 32 A CA -0.936 51.096 52.037 -0.007 0.000 0.795 32 A CB 1.875 20.887 19.000 0.021 0.000 1.359 32 A HN 0.597 nan 8.150 nan 0.000 0.435 33 R N 0.384 120.885 120.500 0.001 0.000 2.534 33 R HA 0.500 4.840 4.340 -0.000 0.000 0.301 33 R C -1.706 174.639 176.300 0.075 0.000 0.961 33 R CA -0.480 55.624 56.100 0.006 0.000 0.871 33 R CB 1.287 31.579 30.300 -0.013 0.000 1.170 33 R HN 0.871 nan 8.270 nan 0.000 0.446 34 H N 2.457 121.509 119.070 -0.030 0.000 2.589 34 H HA 0.288 4.844 4.556 -0.000 0.000 0.335 34 H C -0.137 175.181 175.328 -0.017 0.000 1.019 34 H CA -0.190 55.847 56.048 -0.018 0.000 1.213 34 H CB 0.641 30.395 29.762 -0.014 0.000 1.472 34 H HN 0.522 nan 8.280 nan 0.000 0.508 35 N N 3.815 122.237 118.700 -0.464 0.000 2.721 35 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 35 N C 1.024 176.460 175.510 -0.125 0.000 1.072 35 N CA 1.600 54.475 53.050 -0.292 0.000 0.710 35 N CB -1.095 37.230 38.487 -0.271 0.000 0.993 35 N HN 1.129 nan 8.380 nan 0.000 0.547 36 G N -0.739 108.008 108.800 -0.090 0.000 2.284 36 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.247 36 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.247 36 G C 0.088 174.971 174.900 -0.029 0.000 1.012 36 G CA 0.795 45.866 45.100 -0.048 0.000 0.618 36 G HN 0.588 nan 8.290 nan 0.000 0.521 37 K N 1.909 122.298 120.400 -0.019 0.000 2.276 37 K HA 0.478 4.798 4.320 -0.000 0.000 0.283 37 K C 0.389 176.976 176.600 -0.023 0.000 1.044 37 K CA 0.038 56.324 56.287 -0.003 0.000 0.944 37 K CB 0.285 32.796 32.500 0.018 0.000 1.012 37 K HN 0.116 nan 8.250 nan 0.000 0.472 38 T N 4.113 118.632 114.554 -0.058 0.000 2.934 38 T HA 0.051 4.401 4.350 -0.000 0.000 0.306 38 T C -0.503 174.061 174.700 -0.226 0.000 1.042 38 T CA -0.041 61.947 62.100 -0.186 0.000 1.145 38 T CB 0.274 68.976 68.868 -0.277 0.000 0.982 38 T HN 0.302 nan 8.240 nan 0.000 0.544 39 L N 4.586 125.629 121.223 -0.299 0.000 2.404 39 L HA 0.550 4.890 4.340 -0.000 0.000 0.272 39 L C -1.624 175.123 176.870 -0.205 0.000 0.980 39 L CA -0.752 53.987 54.840 -0.169 0.000 0.836 39 L CB 0.941 42.980 42.059 -0.034 0.000 1.238 39 L HN 0.481 nan 8.230 nan 0.000 0.408 40 F N 6.046 126.058 119.950 0.103 0.000 2.404 40 F HA 0.570 5.097 4.527 -0.000 0.000 0.354 40 F C 0.037 175.881 175.800 0.073 0.000 1.122 40 F CA -0.511 57.539 58.000 0.082 0.000 1.080 40 F CB 1.079 40.126 39.000 0.078 0.000 1.131 40 F HN 0.219 nan 8.300 nan 0.000 0.471 41 I N 5.774 126.494 120.570 0.250 0.000 2.420 41 I HA 0.341 4.511 4.170 -0.000 0.000 0.282 41 I C -2.519 173.689 176.117 0.151 0.000 1.019 41 I CA -2.189 59.206 61.300 0.159 0.000 1.130 41 I CB 1.255 39.320 38.000 0.108 0.000 1.262 41 I HN 0.297 nan 8.210 nan 0.000 0.454 42 P HA 0.179 nan 4.420 nan 0.000 0.268 42 P C 1.004 178.344 177.300 0.066 0.000 1.205 42 P CA 0.443 63.601 63.100 0.097 0.000 0.771 42 P CB 0.798 32.520 31.700 0.037 0.000 0.858 43 G N 1.486 110.333 108.800 0.078 0.000 2.176 43 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.253 43 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.253 43 G C -0.274 174.718 174.900 0.155 0.000 0.979 43 G CA -0.389 44.691 45.100 -0.033 0.000 0.641 43 G HN 0.469 nan 8.290 nan 0.000 0.530 44 L N 0.693 122.047 121.223 0.218 0.000 2.346 44 L HA 0.696 5.036 4.340 -0.000 0.000 0.276 44 L C 0.433 177.416 176.870 0.187 0.000 1.006 44 L CA -0.978 53.971 54.840 0.181 0.000 0.817 44 L CB 1.694 43.826 42.059 0.123 0.000 1.272 44 L HN 0.024 nan 8.230 nan 0.000 0.421 45 L N 3.575 124.882 121.223 0.140 0.000 2.334 45 L HA 0.531 4.871 4.340 -0.000 0.000 0.272 45 L C -2.236 174.670 176.870 0.060 0.000 1.020 45 L CA -2.146 52.744 54.840 0.083 0.000 0.812 45 L CB 1.755 43.845 42.059 0.053 0.000 1.264 45 L HN 0.276 nan 8.230 nan 0.000 0.439 46 P HA -0.039 nan 4.420 nan 0.000 0.263 46 P C -0.759 176.559 177.300 0.030 0.000 1.175 46 P CA 0.379 63.499 63.100 0.033 0.000 0.761 46 P CB 0.251 31.963 31.700 0.021 0.000 0.794 47 Q N -1.227 118.591 119.800 0.030 0.000 2.494 47 Q HA -0.231 4.109 4.340 -0.000 0.000 0.272 47 Q C -0.547 175.472 176.000 0.032 0.000 1.145 47 Q CA 1.252 57.071 55.803 0.027 0.000 0.943 47 Q CB -2.159 26.591 28.738 0.020 0.000 1.338 47 Q HN 0.593 nan 8.270 nan 0.000 0.492 48 E N -0.075 120.149 120.200 0.040 0.000 2.227 48 E HA 0.549 4.899 4.350 -0.000 0.000 0.268 48 E C -0.592 176.032 176.600 0.040 0.000 0.907 48 E CA -0.906 55.520 56.400 0.043 0.000 0.786 48 E CB 1.188 30.922 29.700 0.057 0.000 1.191 48 E HN 0.252 nan 8.360 nan 0.000 0.411 49 N N 0.552 119.273 118.700 0.035 0.000 2.370 49 N HA 0.739 5.479 4.740 -0.000 0.000 0.303 49 N C -1.343 174.184 175.510 0.030 0.000 1.103 49 N CA -0.608 52.461 53.050 0.031 0.000 0.848 49 N CB 2.019 40.522 38.487 0.026 0.000 1.235 49 N HN 0.470 nan 8.380 nan 0.000 0.496 50 A N 0.762 123.597 122.820 0.026 0.000 2.601 50 A HA 0.459 4.779 4.320 -0.000 0.000 0.291 50 A C -1.457 176.132 177.584 0.010 0.000 1.075 50 A CA -0.753 51.297 52.037 0.021 0.000 0.671 50 A CB 1.019 20.036 19.000 0.027 0.000 1.277 50 A HN 0.651 nan 8.150 nan 0.000 0.417 51 E N -0.254 119.949 120.200 0.004 0.000 2.283 51 E HA 0.542 4.892 4.350 -0.000 0.000 0.278 51 E C -0.766 175.829 176.600 -0.009 0.000 1.027 51 E CA -0.290 56.106 56.400 -0.008 0.000 0.843 51 E CB 2.006 31.701 29.700 -0.007 0.000 1.062 51 E HN 0.553 nan 8.360 nan 0.000 0.401 52 V N 1.950 121.850 119.914 -0.024 0.000 3.182 52 V HA 0.680 4.800 4.120 -0.000 0.000 0.308 52 V C -1.069 175.004 176.094 -0.034 0.000 1.240 52 V CA -0.290 61.997 62.300 -0.020 0.000 1.063 52 V CB 2.642 34.455 31.823 -0.017 0.000 1.076 52 V HN 0.735 nan 8.190 nan 0.000 0.446 53 T N 0.758 115.297 114.554 -0.025 0.000 2.853 53 T HA 0.582 4.932 4.350 -0.000 0.000 0.311 53 T C -1.755 172.935 174.700 -0.017 0.000 1.307 53 T CA -0.267 61.815 62.100 -0.030 0.000 1.019 53 T CB 1.605 70.459 68.868 -0.024 0.000 1.264 53 T HN 0.612 nan 8.240 nan 0.000 0.497 54 V N 4.196 124.098 119.914 -0.020 0.000 2.383 54 V HA 0.331 4.451 4.120 -0.000 0.000 0.275 54 V C 1.698 177.792 176.094 -0.001 0.000 1.036 54 V CA 0.234 62.530 62.300 -0.007 0.000 0.889 54 V CB 0.950 32.765 31.823 -0.014 0.000 0.985 54 V HN 1.146 nan 8.190 nan 0.000 0.459 55 T N 0.302 114.863 114.554 0.012 0.000 3.010 55 T HA 0.124 4.474 4.350 -0.000 0.000 0.252 55 T C 0.949 175.651 174.700 0.003 0.000 1.047 55 T CA 0.503 62.609 62.100 0.010 0.000 1.140 55 T CB 0.210 69.089 68.868 0.019 0.000 0.885 55 T HN 0.634 nan 8.240 nan 0.000 0.464 56 E N 0.167 120.370 120.200 0.004 0.000 2.474 56 E HA 0.100 4.450 4.350 -0.000 0.000 0.215 56 E C -0.198 176.356 176.600 -0.075 0.000 0.867 56 E CA 0.081 56.468 56.400 -0.022 0.000 1.135 56 E CB 0.324 30.026 29.700 0.005 0.000 1.147 56 E HN 0.204 nan 8.360 nan 0.000 0.534 57 D N 2.547 122.903 120.400 -0.073 0.000 2.692 57 D HA -0.142 4.497 4.640 -0.000 0.000 0.233 57 D C -0.175 176.035 176.300 -0.150 0.000 1.172 57 D CA 0.822 54.768 54.000 -0.091 0.000 0.636 57 D CB -0.487 40.284 40.800 -0.048 0.000 1.028 57 D HN 0.074 nan 8.370 nan 0.000 0.419 58 K N -0.064 120.159 120.400 -0.295 0.000 2.143 58 K HA 0.006 4.326 4.320 -0.000 0.000 0.239 58 K C 1.723 178.205 176.600 -0.198 0.000 1.048 58 K CA -0.127 55.972 56.287 -0.312 0.000 0.867 58 K CB 0.414 32.573 32.500 -0.568 0.000 1.088 58 K HN 0.204 nan 8.250 nan 0.000 0.510 59 K N 0.589 120.910 120.400 -0.132 0.000 2.009 59 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 59 K C 1.452 178.035 176.600 -0.028 0.000 1.049 59 K CA 1.625 57.878 56.287 -0.057 0.000 0.929 59 K CB 0.132 32.616 32.500 -0.026 0.000 0.714 59 K HN 0.297 nan 8.250 nan 0.000 0.440 60 Q N -0.935 118.865 119.800 0.000 0.000 2.378 60 Q HA 0.104 4.444 4.340 -0.000 0.000 0.216 60 Q C -0.273 175.839 176.000 0.186 0.000 0.892 60 Q CA 0.425 56.289 55.803 0.101 0.000 0.931 60 Q CB 0.820 29.663 28.738 0.176 0.000 1.086 60 Q HN 0.557 nan 8.270 nan 0.000 0.528 61 Y N -2.850 117.467 120.300 0.029 0.000 2.625 61 Y HA 0.797 5.347 4.550 -0.000 0.000 0.338 61 Y C -1.438 174.484 175.900 0.036 0.000 1.123 61 Y CA -1.813 56.295 58.100 0.014 0.000 1.046 61 Y CB 0.848 39.351 38.460 0.072 0.000 1.299 61 Y HN -0.160 nan 8.280 nan 0.000 0.464 62 A N 2.187 125.087 122.820 0.134 0.000 2.413 62 A HA 0.896 5.216 4.320 -0.000 0.000 0.307 62 A C -1.044 176.690 177.584 0.249 0.000 1.087 62 A CA -1.305 50.782 52.037 0.083 0.000 0.750 62 A CB 1.534 20.552 19.000 0.030 0.000 1.296 62 A HN 0.833 nan 8.150 nan 0.000 0.423 63 R N -0.130 120.496 120.500 0.211 0.000 2.668 63 R HA 0.810 5.150 4.340 -0.000 0.000 0.279 63 R C -0.458 175.914 176.300 0.120 0.000 0.976 63 R CA -0.326 55.914 56.100 0.233 0.000 0.978 63 R CB 2.123 32.554 30.300 0.219 0.000 1.133 63 R HN 0.979 nan 8.270 nan 0.000 0.484 64 A N 1.503 124.389 122.820 0.111 0.000 2.606 64 A HA 0.492 4.812 4.320 -0.000 0.000 0.293 64 A C -1.563 176.052 177.584 0.053 0.000 1.082 64 A CA -0.993 51.079 52.037 0.058 0.000 0.685 64 A CB 1.691 20.712 19.000 0.036 0.000 1.284 64 A HN 0.744 nan 8.150 nan 0.000 0.408 65 K N 0.508 120.924 120.400 0.027 0.000 2.259 65 K HA 0.714 5.034 4.320 -0.000 0.000 0.252 65 K C -0.229 176.378 176.600 0.012 0.000 0.936 65 K CA -0.637 55.662 56.287 0.019 0.000 0.810 65 K CB 1.856 34.360 32.500 0.007 0.000 1.143 65 K HN 1.116 nan 8.250 nan 0.000 0.427 66 V N 0.972 120.894 119.914 0.013 0.000 2.585 66 V HA 0.028 4.148 4.120 -0.000 0.000 0.296 66 V C 0.775 176.871 176.094 0.004 0.000 1.035 66 V CA -0.253 62.054 62.300 0.011 0.000 1.084 66 V CB 0.899 32.733 31.823 0.018 0.000 0.953 66 V HN 0.715 nan 8.190 nan 0.000 0.483 67 V N 3.771 123.686 119.914 0.002 0.000 2.627 67 V HA 0.288 4.408 4.120 -0.000 0.000 0.239 67 V C 1.138 177.234 176.094 0.003 0.000 1.077 67 V CA 0.677 62.976 62.300 -0.000 0.000 1.103 67 V CB -0.291 31.530 31.823 -0.005 0.000 0.802 67 V HN 0.919 nan 8.190 nan 0.000 0.482 68 R N 0.533 121.036 120.500 0.005 0.000 2.483 68 R HA 0.473 4.813 4.340 -0.000 0.000 0.303 68 R C -0.449 175.860 176.300 0.015 0.000 0.987 68 R CA -0.494 55.612 56.100 0.009 0.000 0.881 68 R CB 2.113 32.418 30.300 0.007 0.000 1.177 68 R HN 0.199 nan 8.270 nan 0.000 0.451 69 R N 2.488 123.000 120.500 0.020 0.000 2.438 69 R HA 0.102 4.442 4.340 -0.000 0.000 0.287 69 R C 0.355 176.670 176.300 0.025 0.000 1.077 69 R CA -0.061 56.055 56.100 0.028 0.000 1.034 69 R CB 0.696 31.019 30.300 0.037 0.000 0.993 69 R HN 0.530 nan 8.270 nan 0.000 0.459 70 L N 1.612 122.851 121.223 0.026 0.000 2.781 70 L HA 0.391 4.731 4.340 -0.000 0.000 0.245 70 L C -0.617 176.267 176.870 0.024 0.000 1.118 70 L CA 0.480 55.333 54.840 0.022 0.000 0.918 70 L CB 0.931 43.001 42.059 0.019 0.000 1.246 70 L HN 0.472 nan 8.230 nan 0.000 0.526 71 S N -0.848 114.869 115.700 0.029 0.000 2.564 71 S HA 0.592 5.062 4.470 -0.000 0.000 0.274 71 S C -1.740 172.881 174.600 0.036 0.000 1.124 71 S CA -0.674 57.544 58.200 0.029 0.000 0.869 71 S CB 1.374 64.591 63.200 0.028 0.000 1.105 71 S HN 0.145 nan 8.310 nan 0.000 0.472 72 D N 1.580 122.001 120.400 0.034 0.000 2.256 72 D HA 0.420 5.060 4.640 -0.000 0.000 0.246 72 D C -0.489 175.831 176.300 0.034 0.000 1.042 72 D CA -0.058 53.965 54.000 0.039 0.000 0.841 72 D CB 1.936 42.757 40.800 0.036 0.000 1.223 72 D HN 0.352 nan 8.370 nan 0.000 0.470 73 S N 1.936 117.658 115.700 0.038 0.000 2.565 73 S HA 0.280 4.750 4.470 -0.000 0.000 0.274 73 S C -1.452 173.163 174.600 0.025 0.000 1.309 73 S CA -1.175 57.042 58.200 0.029 0.000 1.043 73 S CB 1.046 64.263 63.200 0.029 0.000 0.939 73 S HN 0.207 nan 8.310 nan 0.000 0.504 74 P HA -0.029 nan 4.420 nan 0.000 0.225 74 P C 0.446 177.754 177.300 0.014 0.000 1.148 74 P CA 0.893 64.003 63.100 0.016 0.000 0.779 74 P CB 0.120 31.828 31.700 0.013 0.000 0.780 75 E N -0.437 119.770 120.200 0.011 0.000 2.479 75 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 75 E C 0.919 177.520 176.600 0.003 0.000 1.049 75 E CA -0.212 56.190 56.400 0.004 0.000 0.870 75 E CB -0.027 29.668 29.700 -0.007 0.000 0.944 75 E HN 0.306 nan 8.360 nan 0.000 0.492 76 R N 2.052 122.563 120.500 0.018 0.000 2.522 76 R HA -0.014 4.326 4.340 -0.000 0.000 0.284 76 R C -0.044 176.278 176.300 0.036 0.000 1.032 76 R CA 0.536 56.658 56.100 0.036 0.000 1.049 76 R CB 0.450 30.787 30.300 0.062 0.000 0.956 76 R HN -0.208 nan 8.270 nan 0.000 0.422 77 E N 2.385 122.610 120.200 0.042 0.000 2.299 77 E HA 0.204 4.554 4.350 -0.000 0.000 0.265 77 E C -0.800 175.822 176.600 0.038 0.000 0.911 77 E CA -0.811 55.609 56.400 0.034 0.000 0.789 77 E CB 2.102 31.818 29.700 0.028 0.000 1.246 77 E HN 0.556 nan 8.360 nan 0.000 0.427 78 T N 3.539 118.101 114.554 0.013 0.000 2.761 78 T HA 0.281 4.631 4.350 -0.000 0.000 0.296 78 T C -2.248 172.425 174.700 -0.045 0.000 0.934 78 T CA -1.127 60.972 62.100 -0.002 0.000 1.091 78 T CB 0.404 69.263 68.868 -0.015 0.000 0.896 78 T HN 0.051 nan 8.240 nan 0.000 0.515 79 P HA 0.216 nan 4.420 nan 0.000 0.265 79 P C 0.622 177.837 177.300 -0.142 0.000 1.193 79 P CA -0.260 62.740 63.100 -0.165 0.000 0.765 79 P CB 0.726 32.344 31.700 -0.137 0.000 0.823 80 R N 2.017 122.383 120.500 -0.224 0.000 2.119 80 R HA 0.016 4.356 4.340 -0.000 0.000 0.222 80 R C 0.428 176.609 176.300 -0.198 0.000 1.088 80 R CA 0.714 56.604 56.100 -0.349 0.000 0.984 80 R CB -0.311 29.453 30.300 -0.893 0.000 0.884 80 R HN 0.540 nan 8.270 nan 0.000 0.447 81 C N 1.775 121.037 119.300 -0.064 0.000 2.369 81 C HA 0.415 4.875 4.460 -0.000 0.000 0.358 81 C C -1.302 173.697 174.990 0.015 0.000 1.274 81 C CA -2.315 56.720 59.018 0.029 0.000 1.935 81 C CB 1.337 29.195 27.740 0.196 0.000 2.431 81 C HN 0.403 nan 8.230 nan 0.000 0.545 82 P HA -0.049 nan 4.420 nan 0.000 0.233 82 P C 0.618 177.769 177.300 -0.247 0.000 1.167 82 P CA 1.361 64.331 63.100 -0.217 0.000 0.770 82 P CB -0.110 31.389 31.700 -0.335 0.000 0.837 83 H N -1.909 117.240 119.070 0.132 0.000 2.551 83 H HA 0.156 4.712 4.556 -0.000 0.000 0.271 83 H C 0.490 175.909 175.328 0.151 0.000 0.984 83 H CA -0.655 55.467 56.048 0.124 0.000 1.164 83 H CB -0.460 29.382 29.762 0.132 0.000 1.437 83 H HN 0.129 nan 8.280 nan 0.000 0.550 84 F N 2.063 122.083 119.950 0.118 0.000 2.572 84 F HA 0.313 4.840 4.527 -0.000 0.000 0.370 84 F C 1.502 177.339 175.800 0.061 0.000 1.103 84 F CA 1.355 59.415 58.000 0.100 0.000 1.286 84 F CB 0.562 39.613 39.000 0.086 0.000 1.105 84 F HN 0.387 nan 8.300 nan 0.000 0.583 85 G N 3.134 111.432 108.800 -0.837 0.000 2.199 85 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.254 85 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.254 85 G C 0.362 175.128 174.900 -0.222 0.000 0.982 85 G CA 0.326 45.110 45.100 -0.526 0.000 0.632 85 G HN 0.812 nan 8.290 nan 0.000 0.529 86 V N -0.261 119.590 119.914 -0.104 0.000 3.161 86 V HA 0.262 4.382 4.120 -0.000 0.000 0.221 86 V C 2.102 178.203 176.094 0.012 0.000 1.296 86 V CA 0.532 62.819 62.300 -0.022 0.000 1.306 86 V CB -0.013 31.831 31.823 0.035 0.000 1.171 86 V HN 0.780 nan 8.190 nan 0.000 0.513 87 C N 2.935 122.280 119.300 0.076 0.000 2.538 87 C HA 0.280 4.740 4.460 -0.000 0.000 0.408 87 C C 2.093 177.111 174.990 0.047 0.000 1.421 87 C CA 0.590 59.672 59.018 0.105 0.000 1.642 87 C CB -0.201 27.662 27.740 0.205 0.000 2.553 87 C HN 0.701 nan 8.230 nan 0.000 0.604 88 G N 4.171 112.996 108.800 0.042 0.000 2.848 88 G HA2 0.166 4.126 3.960 -0.000 0.000 0.208 88 G HA3 0.166 4.126 3.960 -0.000 0.000 0.208 88 G C 1.324 176.230 174.900 0.010 0.000 1.152 88 G CA 0.737 45.844 45.100 0.012 0.000 0.789 88 G HN 1.089 nan 8.290 nan 0.000 0.531 89 G N -0.334 108.463 108.800 -0.004 0.000 2.408 89 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.215 89 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.215 89 G C 0.512 175.445 174.900 0.055 0.000 1.156 89 G CA 0.706 45.757 45.100 -0.080 0.000 0.793 89 G HN 0.412 nan 8.290 nan 0.000 0.535 90 C N -0.224 119.187 119.300 0.184 0.000 2.411 90 C HA 0.612 5.072 4.460 -0.000 0.000 0.330 90 C C 0.929 176.172 174.990 0.420 0.000 1.224 90 C CA -0.482 58.747 59.018 0.351 0.000 1.770 90 C CB 1.743 29.791 27.740 0.512 0.000 2.297 90 C HN 0.430 nan 8.230 nan 0.000 0.507 91 Q N 0.101 120.157 119.800 0.426 0.000 2.378 91 Q HA 0.105 4.445 4.340 -0.000 0.000 0.229 91 Q C 0.652 177.030 176.000 0.629 0.000 0.882 91 Q CA 0.646 56.686 55.803 0.395 0.000 0.936 91 Q CB 0.226 29.109 28.738 0.242 0.000 1.092 91 Q HN 0.887 nan 8.270 nan 0.000 0.535 92 Q N -1.284 118.859 119.800 0.570 0.000 2.458 92 Q HA 0.267 4.607 4.340 -0.000 0.000 0.332 92 Q C 0.086 176.136 176.000 0.083 0.000 0.825 92 Q CA -0.091 55.952 55.803 0.400 0.000 1.076 92 Q CB 0.188 29.017 28.738 0.152 0.000 1.394 92 Q HN 0.080 nan 8.270 nan 0.000 0.393 93 Q N 0.669 120.299 119.800 -0.283 0.000 2.291 93 Q HA -0.152 4.188 4.340 -0.000 0.000 0.205 93 Q C 1.559 177.368 176.000 -0.318 0.000 0.970 93 Q CA 1.565 57.011 55.803 -0.595 0.000 0.876 93 Q CB -0.017 28.153 28.738 -0.947 0.000 0.935 93 Q HN 0.688 nan 8.270 nan 0.000 0.455 94 H N -0.874 117.997 119.070 -0.331 0.000 2.561 94 H HA 0.236 4.792 4.556 -0.000 0.000 0.278 94 H C 0.043 175.366 175.328 -0.009 0.000 1.014 94 H CA 0.690 56.687 56.048 -0.084 0.000 1.211 94 H CB -0.090 29.716 29.762 0.073 0.000 1.365 94 H HN 0.050 nan 8.280 nan 0.000 0.594 95 A N 1.721 124.362 122.820 -0.297 0.000 2.304 95 A HA 0.457 4.777 4.320 -0.000 0.000 0.323 95 A C 0.470 178.005 177.584 -0.082 0.000 1.195 95 A CA -0.156 51.746 52.037 -0.226 0.000 0.826 95 A CB 0.751 19.590 19.000 -0.269 0.000 1.184 95 A HN 0.538 nan 8.150 nan 0.000 0.496 96 S N 1.742 117.418 115.700 -0.040 0.000 2.569 96 S HA 0.127 4.597 4.470 -0.000 0.000 0.274 96 S C 1.205 175.804 174.600 -0.002 0.000 1.353 96 S CA 0.023 58.224 58.200 0.001 0.000 1.023 96 S CB 0.502 63.705 63.200 0.004 0.000 0.876 96 S HN 0.874 nan 8.310 nan 0.000 0.540 97 V N 1.560 121.483 119.914 0.016 0.000 2.332 97 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 97 V C 2.438 178.508 176.094 -0.039 0.000 1.055 97 V CA 2.484 64.771 62.300 -0.023 0.000 1.038 97 V CB -1.174 30.631 31.823 -0.031 0.000 0.651 97 V HN 0.965 nan 8.190 nan 0.000 0.450 98 D N -0.475 119.911 120.400 -0.023 0.000 2.097 98 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 98 D C 1.913 178.195 176.300 -0.031 0.000 0.989 98 D CA 1.141 55.125 54.000 -0.026 0.000 0.827 98 D CB -0.239 40.553 40.800 -0.014 0.000 0.966 98 D HN 0.289 nan 8.370 nan 0.000 0.456 99 L N 0.806 122.012 121.223 -0.029 0.000 2.042 99 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 99 L C 2.053 178.896 176.870 -0.044 0.000 1.076 99 L CA 1.766 56.585 54.840 -0.035 0.000 0.749 99 L CB -0.657 41.378 42.059 -0.040 0.000 0.893 99 L HN 0.110 nan 8.230 nan 0.000 0.432 100 Q N -1.073 118.697 119.800 -0.050 0.000 2.061 100 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 100 Q C 2.247 178.208 176.000 -0.064 0.000 0.984 100 Q CA 2.182 57.950 55.803 -0.057 0.000 0.846 100 Q CB -0.267 28.434 28.738 -0.061 0.000 0.902 100 Q HN 0.662 nan 8.270 nan 0.000 0.421 101 Q N 0.114 119.873 119.800 -0.068 0.000 2.079 101 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 101 Q C 2.132 178.100 176.000 -0.053 0.000 0.974 101 Q CA 0.945 56.707 55.803 -0.069 0.000 0.840 101 Q CB -0.078 28.617 28.738 -0.071 0.000 0.898 101 Q HN 0.230 nan 8.270 nan 0.000 0.430 102 R N 0.072 120.546 120.500 -0.044 0.000 2.073 102 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 102 R C 2.443 178.720 176.300 -0.038 0.000 1.134 102 R CA 1.740 57.819 56.100 -0.034 0.000 0.952 102 R CB 0.027 30.311 30.300 -0.027 0.000 0.850 102 R HN 0.136 nan 8.270 nan 0.000 0.433 103 S N 0.515 116.189 115.700 -0.043 0.000 2.368 103 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 103 S C 1.654 176.213 174.600 -0.069 0.000 1.029 103 S CA 1.102 59.273 58.200 -0.048 0.000 0.988 103 S CB -0.065 63.108 63.200 -0.045 0.000 0.838 103 S HN 0.302 nan 8.310 nan 0.000 0.462 104 K N 1.519 121.873 120.400 -0.076 0.000 2.097 104 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 104 K C 2.596 179.151 176.600 -0.075 0.000 1.050 104 K CA 1.449 57.681 56.287 -0.092 0.000 0.938 104 K CB -0.204 32.245 32.500 -0.084 0.000 0.718 104 K HN 0.481 nan 8.250 nan 0.000 0.442 105 S N 0.506 116.173 115.700 -0.056 0.000 2.414 105 S HA 0.025 4.495 4.470 -0.000 0.000 0.227 105 S C 2.233 176.811 174.600 -0.037 0.000 1.022 105 S CA 0.604 58.778 58.200 -0.043 0.000 0.958 105 S CB 0.021 63.202 63.200 -0.033 0.000 0.797 105 S HN 0.238 nan 8.310 nan 0.000 0.493 106 A N 2.063 124.860 122.820 -0.038 0.000 1.933 106 A HA 0.258 4.578 4.320 -0.000 0.000 0.218 106 A C 2.523 180.083 177.584 -0.040 0.000 1.175 106 A CA 1.758 53.776 52.037 -0.031 0.000 0.628 106 A CB -1.462 17.521 19.000 -0.027 0.000 0.814 106 A HN 0.904 nan 8.150 nan 0.000 0.444 107 A N -0.619 122.163 122.820 -0.064 0.000 1.930 107 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 107 A C 2.120 179.661 177.584 -0.071 0.000 1.175 107 A CA 1.690 53.677 52.037 -0.084 0.000 0.627 107 A CB -0.530 18.380 19.000 -0.149 0.000 0.815 107 A HN 0.703 nan 8.150 nan 0.000 0.443 108 L N -0.299 120.885 121.223 -0.065 0.000 2.072 108 L HA 0.049 4.389 4.340 -0.000 0.000 0.205 108 L C 2.621 179.473 176.870 -0.030 0.000 1.079 108 L CA 2.113 56.921 54.840 -0.052 0.000 0.752 108 L CB -0.899 41.130 42.059 -0.049 0.000 0.906 108 L HN 0.313 nan 8.230 nan 0.000 0.436 109 A N -0.163 122.646 122.820 -0.018 0.000 1.908 109 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 109 A C 2.566 180.153 177.584 0.005 0.000 1.181 109 A CA 2.000 54.041 52.037 0.006 0.000 0.627 109 A CB -0.691 18.314 19.000 0.008 0.000 0.818 109 A HN 0.539 nan 8.150 nan 0.000 0.445 110 R N -0.488 120.007 120.500 -0.008 0.000 2.066 110 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 110 R C 2.053 178.351 176.300 -0.004 0.000 1.131 110 R CA 1.401 57.497 56.100 -0.006 0.000 0.955 110 R CB -0.386 29.907 30.300 -0.011 0.000 0.851 110 R HN 0.511 nan 8.270 nan 0.000 0.432 111 L N 0.093 121.308 121.223 -0.014 0.000 2.042 111 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 111 L C 2.223 179.091 176.870 -0.002 0.000 1.076 111 L CA 1.127 55.960 54.840 -0.013 0.000 0.749 111 L CB -0.178 41.862 42.059 -0.031 0.000 0.893 111 L HN 0.325 nan 8.230 nan 0.000 0.432 112 M N -0.758 118.843 119.600 0.002 0.000 2.556 112 M HA 0.008 4.488 4.480 -0.000 0.000 0.245 112 M C 0.480 176.814 176.300 0.057 0.000 1.128 112 M CA 0.432 55.745 55.300 0.022 0.000 1.069 112 M CB -0.327 32.273 32.600 0.000 0.000 1.469 112 M HN 0.086 nan 8.290 nan 0.000 0.494 113 K N 1.498 121.922 120.400 0.040 0.000 3.156 113 K HA -0.207 4.113 4.320 -0.000 0.000 0.266 113 K C -0.196 176.431 176.600 0.043 0.000 0.966 113 K CA 0.676 56.981 56.287 0.030 0.000 0.719 113 K CB -1.701 30.811 32.500 0.020 0.000 1.333 113 K HN 0.391 nan 8.250 nan 0.000 0.468 114 H N 0.422 119.471 119.070 -0.035 0.000 3.085 114 H HA 0.145 4.701 4.556 -0.000 0.000 0.356 114 H C -1.279 174.020 175.328 -0.047 0.000 1.178 114 H CA -1.031 54.988 56.048 -0.047 0.000 1.214 114 H CB 1.407 31.127 29.762 -0.071 0.000 1.881 114 H HN 0.265 nan 8.280 nan 0.000 0.538 115 D N 1.492 122.031 120.400 0.232 0.000 2.312 115 D HA 0.299 4.939 4.640 -0.000 0.000 0.248 115 D C -0.249 176.156 176.300 0.176 0.000 1.086 115 D CA -0.574 53.521 54.000 0.159 0.000 0.948 115 D CB 1.121 41.954 40.800 0.054 0.000 1.162 115 D HN 0.115 nan 8.370 nan 0.000 0.446 116 V N 1.649 121.600 119.914 0.062 0.000 2.455 116 V HA 0.141 4.261 4.120 -0.000 0.000 0.273 116 V C 1.210 177.320 176.094 0.026 0.000 1.045 116 V CA 0.141 62.453 62.300 0.019 0.000 0.976 116 V CB 0.738 32.564 31.823 0.005 0.000 0.993 116 V HN 0.790 nan 8.190 nan 0.000 0.475 117 S N 2.890 118.600 115.700 0.017 0.000 2.575 117 S HA 0.179 4.649 4.470 -0.000 0.000 0.215 117 S C 0.341 174.973 174.600 0.053 0.000 0.966 117 S CA -0.030 58.188 58.200 0.029 0.000 0.911 117 S CB -0.174 63.028 63.200 0.004 0.000 0.780 117 S HN 0.945 nan 8.310 nan 0.000 0.514 118 E N -0.493 119.744 120.200 0.062 0.000 2.388 118 E HA 0.442 4.792 4.350 -0.000 0.000 0.282 118 E C -2.022 174.595 176.600 0.028 0.000 1.026 118 E CA -1.036 55.399 56.400 0.057 0.000 0.820 118 E CB 1.256 31.015 29.700 0.099 0.000 1.226 118 E HN -0.043 nan 8.360 nan 0.000 0.432 119 V N 3.859 123.773 119.914 -0.001 0.000 2.370 119 V HA 0.408 4.528 4.120 -0.000 0.000 0.279 119 V C 0.010 176.075 176.094 -0.050 0.000 1.029 119 V CA -0.495 61.787 62.300 -0.031 0.000 0.870 119 V CB 1.006 32.804 31.823 -0.041 0.000 0.984 119 V HN 0.585 nan 8.190 nan 0.000 0.451 120 I N 4.649 125.174 120.570 -0.074 0.000 2.339 120 I HA 0.780 4.950 4.170 -0.000 0.000 0.290 120 I C 0.280 176.319 176.117 -0.130 0.000 0.994 120 I CA -0.078 61.162 61.300 -0.101 0.000 1.191 120 I CB 1.528 39.454 38.000 -0.123 0.000 1.343 120 I HN 0.734 nan 8.210 nan 0.000 0.458 121 A N 4.509 127.251 122.820 -0.129 0.000 2.594 121 A HA 0.733 5.053 4.320 -0.000 0.000 0.291 121 A C -1.290 176.210 177.584 -0.140 0.000 1.105 121 A CA -0.385 51.557 52.037 -0.158 0.000 0.694 121 A CB 2.296 21.208 19.000 -0.146 0.000 1.291 121 A HN 0.636 nan 8.150 nan 0.000 0.410 122 D N -1.489 118.813 120.400 -0.163 0.000 3.543 122 D HA 0.510 5.149 4.640 -0.000 0.000 0.249 122 D C -0.440 175.795 176.300 -0.109 0.000 1.444 122 D CA 0.851 54.780 54.000 -0.119 0.000 1.032 122 D CB 1.065 41.796 40.800 -0.115 0.000 1.283 122 D HN 0.953 nan 8.370 nan 0.000 0.639 123 V N 0.152 120.026 119.914 -0.067 0.000 2.649 123 V HA 0.447 4.567 4.120 -0.000 0.000 0.292 123 V C -1.727 174.326 176.094 -0.068 0.000 1.055 123 V CA -0.831 61.461 62.300 -0.014 0.000 1.023 123 V CB 1.099 32.962 31.823 0.067 0.000 0.992 123 V HN 0.511 nan 8.190 nan 0.000 0.480 124 P HA 0.101 nan 4.420 nan 0.000 0.224 124 P C -0.256 176.802 177.300 -0.404 0.000 1.157 124 P CA 0.729 63.627 63.100 -0.337 0.000 0.799 124 P CB 0.193 31.712 31.700 -0.302 0.000 0.809 125 W N -1.022 120.411 121.300 0.222 0.000 2.781 125 W HA 0.556 5.216 4.660 -0.000 0.000 0.345 125 W C 0.762 177.370 176.519 0.149 0.000 1.085 125 W CA 0.056 57.538 57.345 0.228 0.000 1.198 125 W CB 1.049 30.599 29.460 0.150 0.000 1.423 125 W HN 0.009 nan 8.180 nan 0.000 0.532 126 G N 1.347 110.326 108.800 0.298 0.000 2.198 126 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.257 126 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.257 126 G C -0.001 174.938 174.900 0.065 0.000 1.042 126 G CA 0.727 45.904 45.100 0.127 0.000 0.791 126 G HN 0.927 nan 8.290 nan 0.000 0.502 127 Y N -1.359 118.957 120.300 0.027 0.000 2.509 127 Y HA 0.449 4.999 4.550 -0.000 0.000 0.270 127 Y C 1.381 177.246 175.900 -0.058 0.000 1.103 127 Y CA -0.057 58.016 58.100 -0.045 0.000 1.278 127 Y CB 0.232 38.626 38.460 -0.111 0.000 1.087 127 Y HN 0.315 nan 8.280 nan 0.000 0.542 128 R N 3.054 123.307 120.500 -0.410 0.000 2.216 128 R HA 0.205 4.545 4.340 -0.000 0.000 0.332 128 R C 0.763 176.994 176.300 -0.116 0.000 1.056 128 R CA -0.330 55.628 56.100 -0.237 0.000 0.901 128 R CB 0.474 30.555 30.300 -0.364 0.000 1.039 128 R HN 0.598 nan 8.270 nan 0.000 0.456 129 R N 3.051 123.494 120.500 -0.094 0.000 2.393 129 R HA 0.191 4.530 4.340 -0.000 0.000 0.244 129 R C 0.074 176.307 176.300 -0.112 0.000 0.920 129 R CA -0.192 55.843 56.100 -0.109 0.000 1.076 129 R CB 0.428 30.636 30.300 -0.153 0.000 1.119 129 R HN 0.363 nan 8.270 nan 0.000 0.524 130 R N 0.767 121.213 120.500 -0.091 0.000 2.508 130 R HA 0.579 4.919 4.340 -0.000 0.000 0.283 130 R C -2.120 174.174 176.300 -0.011 0.000 1.120 130 R CA -0.381 55.676 56.100 -0.072 0.000 0.958 130 R CB 2.101 32.307 30.300 -0.156 0.000 1.215 130 R HN 0.217 nan 8.270 nan 0.000 0.427 131 A N 4.131 126.978 122.820 0.046 0.000 2.486 131 A HA 0.597 4.917 4.320 -0.000 0.000 0.300 131 A C -1.473 176.209 177.584 0.163 0.000 1.048 131 A CA -0.809 51.305 52.037 0.128 0.000 0.696 131 A CB 1.912 21.026 19.000 0.191 0.000 1.278 131 A HN 0.710 nan 8.150 nan 0.000 0.405 132 R N 2.517 123.151 120.500 0.223 0.000 2.388 132 R HA 0.579 4.919 4.340 -0.000 0.000 0.314 132 R C -1.761 174.681 176.300 0.236 0.000 0.959 132 R CA -0.471 55.752 56.100 0.205 0.000 0.851 132 R CB 0.669 31.036 30.300 0.112 0.000 1.168 132 R HN 0.716 nan 8.270 nan 0.000 0.472 133 L N 2.648 123.939 121.223 0.113 0.000 2.289 133 L HA 0.361 4.701 4.340 -0.000 0.000 0.285 133 L C 0.270 177.150 176.870 0.017 0.000 1.049 133 L CA -0.346 54.444 54.840 -0.085 0.000 0.804 133 L CB 1.939 43.868 42.059 -0.217 0.000 1.195 133 L HN 0.565 nan 8.230 nan 0.000 0.428 134 S N 3.347 119.038 115.700 -0.015 0.000 2.601 134 S HA 0.675 5.145 4.470 -0.000 0.000 0.271 134 S C -0.311 174.288 174.600 -0.002 0.000 1.305 134 S CA -0.487 57.735 58.200 0.037 0.000 1.022 134 S CB 0.858 64.078 63.200 0.034 0.000 0.940 134 S HN 0.320 nan 8.310 nan 0.000 0.525 135 L N 2.336 123.580 121.223 0.035 0.000 2.401 135 L HA 0.631 4.971 4.340 -0.000 0.000 0.266 135 L C -0.602 176.290 176.870 0.037 0.000 0.991 135 L CA -0.741 54.110 54.840 0.018 0.000 0.818 135 L CB 2.012 44.086 42.059 0.025 0.000 1.321 135 L HN 0.620 nan 8.230 nan 0.000 0.413 136 N N 0.815 119.531 118.700 0.027 0.000 2.406 136 N HA 0.273 5.013 4.740 -0.000 0.000 0.283 136 N C -1.722 173.823 175.510 0.059 0.000 1.074 136 N CA -0.552 52.525 53.050 0.046 0.000 0.916 136 N CB 1.447 39.944 38.487 0.018 0.000 1.639 136 N HN 0.428 nan 8.380 nan 0.000 0.485 137 Y N 3.409 123.689 120.300 -0.033 0.000 2.316 137 Y HA 0.486 5.036 4.550 0.000 0.000 0.331 137 Y C -0.698 175.180 175.900 -0.036 0.000 1.083 137 Y CA -0.415 57.657 58.100 -0.047 0.000 1.206 137 Y CB 0.718 39.136 38.460 -0.070 0.000 1.195 137 Y HN 0.540 nan 8.280 nan 0.000 0.497 138 L N 9.990 130.814 121.223 -0.664 0.000 2.287 138 L HA 0.269 4.608 4.340 -0.000 0.000 0.280 138 L C -1.483 175.052 176.870 -0.559 0.000 1.055 138 L CA -1.795 52.781 54.840 -0.440 0.000 0.863 138 L CB 1.216 43.089 42.059 -0.309 0.000 1.245 138 L HN 0.644 nan 8.230 nan 0.000 0.432 139 P HA -0.194 nan 4.420 nan 0.000 0.219 139 P C 1.326 178.595 177.300 -0.051 0.000 1.146 139 P CA 1.083 64.179 63.100 -0.007 0.000 0.808 139 P CB 0.312 32.081 31.700 0.114 0.000 0.779 140 K N 0.167 120.515 120.400 -0.086 0.000 1.978 140 K HA -0.080 4.240 4.320 -0.000 0.000 0.214 140 K C 0.826 177.379 176.600 -0.078 0.000 1.049 140 K CA 1.804 58.053 56.287 -0.063 0.000 0.939 140 K CB -0.574 31.889 32.500 -0.061 0.000 0.721 140 K HN 0.241 nan 8.250 nan 0.000 0.441 141 T N 0.150 114.624 114.554 -0.134 0.000 2.810 141 T HA 0.059 4.409 4.350 -0.000 0.000 0.277 141 T C 0.698 175.288 174.700 -0.184 0.000 0.973 141 T CA -0.789 61.234 62.100 -0.128 0.000 0.949 141 T CB 1.145 69.938 68.868 -0.125 0.000 1.075 141 T HN 0.279 nan 8.240 nan 0.000 0.537 142 Q N -0.227 119.509 119.800 -0.106 0.000 2.291 142 Q HA 0.087 4.427 4.340 -0.000 0.000 0.211 142 Q C -0.463 175.481 176.000 -0.093 0.000 0.925 142 Q CA -0.013 55.775 55.803 -0.025 0.000 0.949 142 Q CB 0.008 28.773 28.738 0.045 0.000 1.015 142 Q HN 0.446 nan 8.270 nan 0.000 0.477 143 Q N 1.214 120.814 119.800 -0.334 0.000 2.312 143 Q HA 0.388 4.727 4.340 -0.000 0.000 0.263 143 Q C -0.946 174.901 176.000 -0.255 0.000 0.995 143 Q CA -0.930 54.742 55.803 -0.218 0.000 0.853 143 Q CB 2.176 30.817 28.738 -0.161 0.000 1.300 143 Q HN 0.228 nan 8.270 nan 0.000 0.448 144 L N 2.298 123.477 121.223 -0.074 0.000 2.319 144 L HA 0.175 4.515 4.340 -0.000 0.000 0.280 144 L C -0.224 176.605 176.870 -0.068 0.000 1.099 144 L CA 0.401 55.224 54.840 -0.029 0.000 0.828 144 L CB 0.745 42.814 42.059 0.017 0.000 1.150 144 L HN 0.463 nan 8.230 nan 0.000 0.442 145 Q N 5.848 125.607 119.800 -0.068 0.000 2.267 145 Q HA 0.460 4.800 4.340 -0.000 0.000 0.255 145 Q C -0.734 175.224 176.000 -0.071 0.000 0.923 145 Q CA -0.029 55.730 55.803 -0.073 0.000 0.925 145 Q CB 1.732 30.429 28.738 -0.068 0.000 1.195 145 Q HN 0.669 nan 8.270 nan 0.000 0.417 146 M N 2.206 121.746 119.600 -0.100 0.000 2.165 146 M HA 0.581 5.061 4.480 -0.000 0.000 0.283 146 M C -1.072 175.102 176.300 -0.209 0.000 0.978 146 M CA -0.138 55.084 55.300 -0.131 0.000 0.948 146 M CB 1.347 33.875 32.600 -0.120 0.000 1.599 146 M HN 0.807 nan 8.290 nan 0.000 0.450 147 G N 3.149 111.783 108.800 -0.277 0.000 2.539 147 G HA2 0.414 4.373 3.960 -0.000 0.000 0.138 147 G HA3 0.414 4.373 3.960 -0.000 0.000 0.138 147 G C -2.058 172.505 174.900 -0.561 0.000 1.148 147 G CA -0.478 44.331 45.100 -0.486 0.000 1.057 147 G HN 0.505 nan 8.290 nan 0.000 0.511 148 F N 0.784 120.709 119.950 -0.042 0.000 2.598 148 F HA 0.767 5.294 4.527 -0.000 0.000 0.327 148 F C 0.537 176.324 175.800 -0.021 0.000 1.057 148 F CA -1.063 56.926 58.000 -0.019 0.000 0.957 148 F CB 1.403 40.400 39.000 -0.005 0.000 1.278 148 F HN 0.072 nan 8.300 nan 0.000 0.484 149 R N 1.020 121.642 120.500 0.205 0.000 2.539 149 R HA 0.250 4.590 4.340 -0.000 0.000 0.275 149 R C -0.363 175.985 176.300 0.080 0.000 1.077 149 R CA -0.672 55.487 56.100 0.099 0.000 1.097 149 R CB 0.330 30.670 30.300 0.067 0.000 1.018 149 R HN 0.589 nan 8.270 nan 0.000 0.483 150 K N 1.217 121.644 120.400 0.044 0.000 2.485 150 K HA 0.070 4.389 4.320 -0.000 0.000 0.277 150 K C 0.214 176.821 176.600 0.012 0.000 0.990 150 K CA 0.116 56.416 56.287 0.022 0.000 0.994 150 K CB 0.438 32.942 32.500 0.008 0.000 0.906 150 K HN 0.665 nan 8.250 nan 0.000 0.488 151 A N 1.898 124.717 122.820 -0.002 0.000 2.565 151 A HA 0.260 4.580 4.320 -0.000 0.000 0.237 151 A C 1.309 178.885 177.584 -0.013 0.000 1.053 151 A CA 0.751 52.782 52.037 -0.011 0.000 0.755 151 A CB -0.612 18.373 19.000 -0.025 0.000 0.980 151 A HN 0.977 nan 8.150 nan 0.000 0.506 152 G N 0.559 109.351 108.800 -0.014 0.000 2.166 152 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.260 152 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.260 152 G C 0.372 175.268 174.900 -0.008 0.000 0.986 152 G CA 1.090 46.181 45.100 -0.015 0.000 0.683 152 G HN 2.008 nan 8.290 nan 0.000 0.527 153 S N -1.563 114.136 115.700 -0.002 0.000 2.618 153 S HA 0.732 5.202 4.470 -0.000 0.000 0.277 153 S C 1.107 175.712 174.600 0.008 0.000 1.138 153 S CA 0.795 58.996 58.200 0.002 0.000 0.844 153 S CB 1.585 64.786 63.200 0.001 0.000 1.127 153 S HN 1.337 nan 8.310 nan 0.000 0.474 154 S N 1.133 116.838 115.700 0.008 0.000 2.535 154 S HA 0.234 4.704 4.470 -0.000 0.000 0.214 154 S C -0.186 174.422 174.600 0.012 0.000 0.980 154 S CA -0.206 58.001 58.200 0.012 0.000 0.907 154 S CB -0.380 62.828 63.200 0.012 0.000 0.790 154 S HN 0.687 nan 8.310 nan 0.000 0.510 155 D N 2.679 123.084 120.400 0.008 0.000 2.455 155 D HA 0.182 4.822 4.640 -0.000 0.000 0.241 155 D C 0.086 176.391 176.300 0.008 0.000 1.138 155 D CA 0.224 54.227 54.000 0.003 0.000 0.877 155 D CB 0.476 41.276 40.800 -0.000 0.000 1.187 155 D HN 0.236 nan 8.370 nan 0.000 0.451 156 I N 2.084 122.653 120.570 -0.003 0.000 2.353 156 I HA 0.129 4.299 4.170 -0.000 0.000 0.293 156 I C 0.288 176.390 176.117 -0.026 0.000 0.992 156 I CA -0.714 60.579 61.300 -0.011 0.000 1.268 156 I CB 1.266 39.249 38.000 -0.029 0.000 1.387 156 I HN -0.023 nan 8.210 nan 0.000 0.478 157 V N 5.487 125.384 119.914 -0.028 0.000 2.406 157 V HA 0.125 4.244 4.120 -0.000 0.000 0.272 157 V C 0.312 176.321 176.094 -0.142 0.000 1.043 157 V CA -0.683 61.581 62.300 -0.061 0.000 0.915 157 V CB 1.152 32.952 31.823 -0.038 0.000 0.988 157 V HN 0.590 nan 8.190 nan 0.000 0.466 158 D N 3.507 123.827 120.400 -0.134 0.000 2.487 158 D HA 0.106 4.746 4.640 -0.000 0.000 0.243 158 D C -0.309 175.814 176.300 -0.295 0.000 1.154 158 D CA 0.473 54.377 54.000 -0.160 0.000 0.876 158 D CB 1.483 42.231 40.800 -0.086 0.000 1.161 158 D HN 0.246 nan 8.370 nan 0.000 0.478 159 V N 5.583 125.313 119.914 -0.306 0.000 2.357 159 V HA 0.126 4.246 4.120 -0.000 0.000 0.284 159 V C 1.199 177.234 176.094 -0.099 0.000 1.018 159 V CA -0.462 61.609 62.300 -0.382 0.000 0.841 159 V CB 1.650 33.275 31.823 -0.330 0.000 0.991 159 V HN 0.456 nan 8.190 nan 0.000 0.437 160 K N 3.769 124.243 120.400 0.123 0.000 2.276 160 K HA 0.227 4.547 4.320 -0.000 0.000 0.198 160 K C 0.205 176.899 176.600 0.157 0.000 1.052 160 K CA 0.311 56.689 56.287 0.152 0.000 0.984 160 K CB 0.599 33.206 32.500 0.180 0.000 0.836 160 K HN 0.793 nan 8.250 nan 0.000 0.490 161 Q N -0.401 119.554 119.800 0.257 0.000 2.456 161 Q HA 0.534 4.874 4.340 -0.000 0.000 0.284 161 Q C -1.233 174.910 176.000 0.238 0.000 1.061 161 Q CA -1.001 54.905 55.803 0.172 0.000 0.799 161 Q CB 2.404 31.200 28.738 0.096 0.000 1.445 161 Q HN 0.061 nan 8.270 nan 0.000 0.411 162 C N 2.120 121.531 119.300 0.185 0.000 3.220 162 C HA 0.351 4.811 4.460 -0.000 0.000 0.352 162 C C -2.047 173.048 174.990 0.174 0.000 1.031 162 C CA -1.001 58.155 59.018 0.230 0.000 1.338 162 C CB 1.010 28.915 27.740 0.274 0.000 1.763 162 C HN 0.721 nan 8.230 nan 0.000 0.548 163 P HA -0.049 nan 4.420 nan 0.000 0.234 163 P C 1.073 178.581 177.300 0.346 0.000 1.167 163 P CA 0.982 64.194 63.100 0.188 0.000 0.763 163 P CB -0.114 31.594 31.700 0.013 0.000 0.835 164 I N -4.295 116.436 120.570 0.268 0.000 3.059 164 I HA 0.053 4.223 4.170 -0.000 0.000 0.270 164 I C 1.014 176.975 176.117 -0.260 0.000 1.238 164 I CA 0.323 61.612 61.300 -0.019 0.000 1.478 164 I CB -1.113 36.792 38.000 -0.159 0.000 1.097 164 I HN -0.259 nan 8.210 nan 0.000 0.455 165 L N 2.214 123.398 121.223 -0.065 0.000 2.417 165 L HA 0.470 4.810 4.340 -0.000 0.000 0.268 165 L C 1.018 177.865 176.870 -0.038 0.000 1.158 165 L CA -0.610 54.193 54.840 -0.061 0.000 0.819 165 L CB 0.564 42.646 42.059 0.039 0.000 1.112 165 L HN 0.305 nan 8.230 nan 0.000 0.458 166 A N 4.688 127.479 122.820 -0.049 0.000 2.555 166 A HA 0.114 4.434 4.320 -0.000 0.000 0.233 166 A C -1.579 176.011 177.584 0.010 0.000 1.060 166 A CA -0.751 51.278 52.037 -0.015 0.000 0.759 166 A CB -0.267 18.718 19.000 -0.024 0.000 0.995 166 A HN 0.640 nan 8.150 nan 0.000 0.506 167 P HA -0.192 nan 4.420 nan 0.000 0.216 167 P C 1.137 178.448 177.300 0.018 0.000 1.153 167 P CA 1.620 64.734 63.100 0.024 0.000 0.858 167 P CB 0.086 31.801 31.700 0.024 0.000 0.789 168 Q N -0.731 119.075 119.800 0.010 0.000 2.124 168 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 168 Q C 2.155 178.164 176.000 0.015 0.000 0.977 168 Q CA 1.299 57.106 55.803 0.007 0.000 0.850 168 Q CB -1.042 27.694 28.738 -0.005 0.000 0.901 168 Q HN 0.275 nan 8.270 nan 0.000 0.429 169 L N 0.021 121.254 121.223 0.018 0.000 2.072 169 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 169 L C 2.470 179.366 176.870 0.043 0.000 1.079 169 L CA 1.303 56.162 54.840 0.032 0.000 0.752 169 L CB -0.541 41.536 42.059 0.030 0.000 0.906 169 L HN 0.284 nan 8.230 nan 0.000 0.436 170 E N 1.002 121.228 120.200 0.043 0.000 2.085 170 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 170 E C 2.244 178.871 176.600 0.046 0.000 0.994 170 E CA 1.310 57.741 56.400 0.052 0.000 0.801 170 E CB -0.016 29.717 29.700 0.056 0.000 0.743 170 E HN 0.437 nan 8.360 nan 0.000 0.453 171 A N 0.766 123.609 122.820 0.038 0.000 2.019 171 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 171 A C 2.122 179.734 177.584 0.048 0.000 1.164 171 A CA 0.946 53.004 52.037 0.036 0.000 0.644 171 A CB -0.503 18.512 19.000 0.026 0.000 0.805 171 A HN 0.335 nan 8.150 nan 0.000 0.449 172 L N -0.512 120.744 121.223 0.056 0.000 2.376 172 L HA -0.091 4.248 4.340 -0.000 0.000 0.219 172 L C 2.263 179.188 176.870 0.092 0.000 1.133 172 L CA 0.249 55.143 54.840 0.090 0.000 0.816 172 L CB -0.360 41.756 42.059 0.095 0.000 0.933 172 L HN 0.412 nan 8.230 nan 0.000 0.449 173 L N 0.352 121.608 121.223 0.054 0.000 1.971 173 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 173 L C -0.129 176.749 176.870 0.013 0.000 1.072 173 L CA 1.674 56.528 54.840 0.023 0.000 0.758 173 L CB -2.256 39.812 42.059 0.014 0.000 0.889 173 L HN 0.257 nan 8.230 nan 0.000 0.433 174 P HA -0.162 nan 4.420 nan 0.000 0.219 174 P C 1.215 178.525 177.300 0.016 0.000 1.146 174 P CA 1.486 64.594 63.100 0.013 0.000 0.808 174 P CB 0.056 31.770 31.700 0.024 0.000 0.779 175 K N -0.357 120.082 120.400 0.066 0.000 2.031 175 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 175 K C 2.164 178.721 176.600 -0.072 0.000 1.049 175 K CA 0.956 57.315 56.287 0.119 0.000 0.939 175 K CB -0.960 31.736 32.500 0.327 0.000 0.717 175 K HN -0.083 nan 8.250 nan 0.000 0.438 176 V N 1.428 121.317 119.914 -0.041 0.000 2.295 176 V HA -0.264 3.855 4.120 -0.000 0.000 0.246 176 V C 2.404 178.359 176.094 -0.232 0.000 1.049 176 V CA 1.910 64.077 62.300 -0.221 0.000 1.024 176 V CB -0.499 31.305 31.823 -0.032 0.000 0.648 176 V HN 0.322 nan 8.190 nan 0.000 0.447 177 R N 0.405 120.827 120.500 -0.130 0.000 2.096 177 R HA -0.230 4.110 4.340 -0.000 0.000 0.240 177 R C 2.247 178.470 176.300 -0.127 0.000 1.139 177 R CA 2.035 58.067 56.100 -0.112 0.000 0.952 177 R CB -0.486 29.769 30.300 -0.075 0.000 0.854 177 R HN 0.482 nan 8.270 nan 0.000 0.436 178 A N 0.533 123.275 122.820 -0.129 0.000 1.855 178 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 178 A C 2.589 180.067 177.584 -0.175 0.000 1.191 178 A CA 1.437 53.405 52.037 -0.116 0.000 0.613 178 A CB -1.340 17.617 19.000 -0.072 0.000 0.829 178 A HN 0.689 nan 8.150 nan 0.000 0.442 179 C N -0.231 118.875 119.300 -0.323 0.000 2.413 179 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 179 C C 2.620 177.441 174.990 -0.281 0.000 1.228 179 C CA 1.349 60.122 59.018 -0.407 0.000 1.731 179 C CB -1.579 25.581 27.740 -0.967 0.000 2.042 179 C HN 0.568 nan 8.230 nan 0.000 0.468 180 L N 0.783 121.844 121.223 -0.269 0.000 2.141 180 L HA 0.064 4.404 4.340 -0.000 0.000 0.209 180 L C 2.812 179.618 176.870 -0.108 0.000 1.094 180 L CA 1.517 56.253 54.840 -0.173 0.000 0.763 180 L CB -1.021 40.952 42.059 -0.144 0.000 0.908 180 L HN 0.590 nan 8.230 nan 0.000 0.437 181 G N -0.666 108.077 108.800 -0.094 0.000 2.598 181 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 181 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 181 G C 1.599 176.474 174.900 -0.043 0.000 1.131 181 G CA 0.806 45.877 45.100 -0.047 0.000 0.785 181 G HN 0.487 nan 8.290 nan 0.000 0.539 182 S N -0.383 115.275 115.700 -0.069 0.000 2.575 182 S HA 0.354 4.824 4.470 -0.000 0.000 0.215 182 S C 0.813 175.378 174.600 -0.058 0.000 0.966 182 S CA -0.542 57.625 58.200 -0.056 0.000 0.911 182 S CB -0.116 63.048 63.200 -0.060 0.000 0.780 182 S HN 0.151 nan 8.310 nan 0.000 0.514 183 L N 1.310 122.490 121.223 -0.070 0.000 2.418 183 L HA 0.387 4.727 4.340 -0.000 0.000 0.265 183 L C 1.767 178.594 176.870 -0.072 0.000 1.143 183 L CA -0.556 54.240 54.840 -0.073 0.000 0.809 183 L CB 0.675 42.682 42.059 -0.087 0.000 1.124 183 L HN 0.148 nan 8.230 nan 0.000 0.456 184 Q N 2.057 121.816 119.800 -0.067 0.000 2.123 184 Q HA -0.027 4.313 4.340 -0.000 0.000 0.199 184 Q C 1.592 177.537 176.000 -0.092 0.000 0.966 184 Q CA 1.580 57.340 55.803 -0.072 0.000 0.845 184 Q CB 0.074 28.782 28.738 -0.049 0.000 0.907 184 Q HN 0.781 nan 8.270 nan 0.000 0.439 185 A N 0.516 123.295 122.820 -0.067 0.000 2.265 185 A HA 0.044 4.363 4.320 -0.000 0.000 0.213 185 A C 1.629 179.159 177.584 -0.090 0.000 1.255 185 A CA 0.390 52.408 52.037 -0.031 0.000 0.862 185 A CB -0.895 18.102 19.000 -0.004 0.000 0.852 185 A HN 0.608 nan 8.150 nan 0.000 0.484 186 M N -0.919 118.590 119.600 -0.151 0.000 2.296 186 M HA -0.093 4.387 4.480 -0.000 0.000 0.265 186 M C 1.750 177.924 176.300 -0.210 0.000 1.064 186 M CA 1.512 56.734 55.300 -0.129 0.000 1.109 186 M CB -0.239 32.315 32.600 -0.078 0.000 1.396 186 M HN 0.322 nan 8.290 nan 0.000 0.430 187 R N -0.073 120.126 120.500 -0.502 0.000 2.241 187 R HA -0.067 4.273 4.340 -0.000 0.000 0.224 187 R C 0.477 176.535 176.300 -0.402 0.000 1.101 187 R CA 1.039 56.752 56.100 -0.645 0.000 0.995 187 R CB -0.247 29.461 30.300 -0.986 0.000 0.870 187 R HN 0.523 nan 8.270 nan 0.000 0.463 188 H N -0.880 118.161 119.070 -0.049 0.000 2.481 188 H HA 0.263 4.819 4.556 -0.000 0.000 0.273 188 H C -0.634 174.716 175.328 0.037 0.000 1.145 188 H CA -0.288 55.760 56.048 -0.001 0.000 0.964 188 H CB -0.104 29.657 29.762 -0.001 0.000 1.722 188 H HN 0.003 nan 8.280 nan 0.000 0.573 189 L N -0.633 120.658 121.223 0.114 0.000 2.317 189 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 189 L C 1.390 178.313 176.870 0.089 0.000 1.024 189 L CA -0.536 54.360 54.840 0.093 0.000 0.810 189 L CB 2.124 44.207 42.059 0.040 0.000 1.240 189 L HN 0.246 nan 8.230 nan 0.000 0.427 190 G N 0.722 109.570 108.800 0.080 0.000 2.599 190 G HA2 0.106 4.066 3.960 -0.000 0.000 0.210 190 G HA3 0.106 4.066 3.960 -0.000 0.000 0.210 190 G C 0.300 175.305 174.900 0.175 0.000 1.177 190 G CA 0.303 45.477 45.100 0.123 0.000 0.835 190 G HN 0.729 nan 8.290 nan 0.000 0.575 191 H N -2.400 116.697 119.070 0.045 0.000 2.967 191 H HA 0.551 5.107 4.556 -0.000 0.000 0.318 191 H C -2.254 173.096 175.328 0.036 0.000 1.375 191 H CA -0.757 55.310 56.048 0.031 0.000 1.132 191 H CB 1.323 31.105 29.762 0.034 0.000 1.848 191 H HN 0.294 nan 8.280 nan 0.000 0.524 192 V N 1.161 121.090 119.914 0.024 0.000 2.483 192 V HA 0.346 4.466 4.120 -0.000 0.000 0.297 192 V C -0.824 175.338 176.094 0.114 0.000 1.027 192 V CA -0.375 61.922 62.300 -0.005 0.000 0.855 192 V CB 1.548 33.366 31.823 -0.008 0.000 0.995 192 V HN 0.842 nan 8.190 nan 0.000 0.424 193 E N 6.385 126.656 120.200 0.118 0.000 2.216 193 E HA 0.627 4.977 4.350 -0.000 0.000 0.279 193 E C -1.199 175.457 176.600 0.093 0.000 0.997 193 E CA -0.510 55.974 56.400 0.140 0.000 0.817 193 E CB 2.147 31.935 29.700 0.147 0.000 1.096 193 E HN 0.611 nan 8.360 nan 0.000 0.393 194 L N 2.677 123.950 121.223 0.083 0.000 2.385 194 L HA 0.571 4.911 4.340 -0.000 0.000 0.273 194 L C -1.058 175.839 176.870 0.044 0.000 0.990 194 L CA -1.025 53.856 54.840 0.068 0.000 0.821 194 L CB 1.828 43.926 42.059 0.066 0.000 1.279 194 L HN 0.273 nan 8.230 nan 0.000 0.412 195 V N 2.105 122.042 119.914 0.039 0.000 2.638 195 V HA 0.400 4.520 4.120 -0.000 0.000 0.306 195 V C -0.748 175.350 176.094 0.008 0.000 1.052 195 V CA -0.644 61.661 62.300 0.009 0.000 0.885 195 V CB 2.108 33.961 31.823 0.049 0.000 0.999 195 V HN 0.725 nan 8.190 nan 0.000 0.424 196 Q N 3.193 122.969 119.800 -0.041 0.000 2.394 196 Q HA 0.759 5.099 4.340 -0.000 0.000 0.259 196 Q C -0.501 175.455 176.000 -0.072 0.000 1.021 196 Q CA -0.002 55.777 55.803 -0.041 0.000 0.805 196 Q CB 1.489 30.201 28.738 -0.045 0.000 1.226 196 Q HN 1.019 nan 8.270 nan 0.000 0.476 197 A N 2.605 125.403 122.820 -0.037 0.000 2.269 197 A HA 0.540 4.860 4.320 -0.000 0.000 0.327 197 A C 0.827 178.337 177.584 -0.122 0.000 1.112 197 A CA -0.242 51.771 52.037 -0.041 0.000 0.865 197 A CB 0.755 19.832 19.000 0.128 0.000 1.227 197 A HN 0.824 nan 8.150 nan 0.000 0.498 198 T N 0.928 115.396 114.554 -0.143 0.000 2.737 198 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 198 T C 2.094 176.445 174.700 -0.582 0.000 1.040 198 T CA 2.356 64.301 62.100 -0.259 0.000 1.142 198 T CB -0.438 68.354 68.868 -0.126 0.000 0.861 198 T HN 0.956 nan 8.240 nan 0.000 0.456 199 S N 0.425 115.529 115.700 -0.993 0.000 2.423 199 S HA 0.348 4.818 4.470 -0.000 0.000 0.231 199 S C 1.161 175.499 174.600 -0.436 0.000 1.014 199 S CA 0.443 57.965 58.200 -1.130 0.000 0.965 199 S CB -0.187 62.157 63.200 -1.426 0.000 0.785 199 S HN 0.849 nan 8.310 nan 0.000 0.495 200 G N -0.683 107.956 108.800 -0.269 0.000 2.341 200 G HA2 0.372 4.332 3.960 -0.000 0.000 0.293 200 G HA3 0.372 4.332 3.960 -0.000 0.000 0.293 200 G C -1.356 173.508 174.900 -0.060 0.000 1.298 200 G CA -0.592 44.432 45.100 -0.126 0.000 0.868 200 G HN 0.149 nan 8.290 nan 0.000 0.540 201 T N 1.278 115.815 114.554 -0.028 0.000 2.806 201 T HA 0.619 4.969 4.350 -0.000 0.000 0.290 201 T C 0.364 175.090 174.700 0.043 0.000 0.966 201 T CA -0.220 61.882 62.100 0.004 0.000 1.060 201 T CB 0.676 69.540 68.868 -0.007 0.000 0.927 201 T HN 0.646 nan 8.240 nan 0.000 0.485 202 L N 1.998 123.270 121.223 0.082 0.000 2.342 202 L HA 0.769 5.109 4.340 -0.000 0.000 0.271 202 L C -0.447 176.499 176.870 0.127 0.000 1.008 202 L CA -1.155 53.769 54.840 0.141 0.000 0.818 202 L CB 1.749 43.909 42.059 0.167 0.000 1.296 202 L HN 0.540 nan 8.230 nan 0.000 0.427 203 M N 3.152 122.852 119.600 0.168 0.000 2.259 203 M HA 0.578 5.058 4.480 -0.000 0.000 0.304 203 M C -1.876 174.532 176.300 0.180 0.000 1.019 203 M CA -0.446 54.941 55.300 0.145 0.000 0.922 203 M CB 2.027 34.715 32.600 0.146 0.000 1.600 203 M HN 0.575 nan 8.290 nan 0.000 0.433 204 I N 5.608 126.249 120.570 0.118 0.000 2.355 204 I HA 0.329 4.499 4.170 -0.000 0.000 0.288 204 I C -1.078 175.056 176.117 0.029 0.000 0.999 204 I CA -0.480 60.883 61.300 0.105 0.000 1.163 204 I CB 1.629 39.660 38.000 0.052 0.000 1.316 204 I HN 0.568 nan 8.210 nan 0.000 0.454 205 L N 7.119 128.368 121.223 0.043 0.000 2.255 205 L HA 0.500 4.840 4.340 -0.000 0.000 0.289 205 L C 0.059 176.939 176.870 0.016 0.000 1.046 205 L CA -0.389 54.449 54.840 -0.002 0.000 0.816 205 L CB 0.352 42.428 42.059 0.028 0.000 1.197 205 L HN 0.499 nan 8.230 nan 0.000 0.427 206 R N 5.040 125.422 120.500 -0.197 0.000 2.234 206 R HA 0.405 4.745 4.340 -0.000 0.000 0.324 206 R C -0.917 175.370 176.300 -0.023 0.000 1.054 206 R CA -0.017 55.970 56.100 -0.189 0.000 0.912 206 R CB 0.107 30.116 30.300 -0.485 0.000 1.030 206 R HN 0.775 nan 8.270 nan 0.000 0.455 207 H N 0.855 119.896 119.070 -0.048 0.000 2.851 207 H HA 0.274 4.830 4.556 -0.000 0.000 0.372 207 H C -0.782 174.548 175.328 0.004 0.000 1.158 207 H CA -0.722 55.319 56.048 -0.010 0.000 1.159 207 H CB 1.925 31.683 29.762 -0.006 0.000 1.757 207 H HN 0.565 nan 8.280 nan 0.000 0.546 208 T N 0.663 115.251 114.554 0.058 0.000 3.069 208 T HA 0.524 4.874 4.350 -0.000 0.000 0.252 208 T C 0.125 174.799 174.700 -0.044 0.000 1.053 208 T CA 0.446 62.537 62.100 -0.016 0.000 0.964 208 T CB -0.595 68.287 68.868 0.023 0.000 1.005 208 T HN 0.849 nan 8.240 nan 0.000 0.532 209 A N 1.570 124.417 122.820 0.045 0.000 2.609 209 A HA 0.791 5.111 4.320 -0.000 0.000 0.291 209 A C -3.055 174.634 177.584 0.174 0.000 1.096 209 A CA -1.609 50.424 52.037 -0.007 0.000 0.684 209 A CB 0.857 19.703 19.000 -0.256 0.000 1.282 209 A HN 0.208 nan 8.150 nan 0.000 0.412 210 P HA 0.409 nan 4.420 nan 0.000 0.271 210 P C -0.898 176.431 177.300 0.049 0.000 1.218 210 P CA -0.033 63.142 63.100 0.124 0.000 0.780 210 P CB 0.315 32.047 31.700 0.054 0.000 0.901 211 L N 1.690 122.890 121.223 -0.038 0.000 2.281 211 L HA 0.212 4.552 4.340 -0.000 0.000 0.285 211 L C 1.100 177.941 176.870 -0.049 0.000 1.074 211 L CA -0.572 54.206 54.840 -0.103 0.000 0.817 211 L CB 0.424 42.351 42.059 -0.221 0.000 1.168 211 L HN 0.469 nan 8.230 nan 0.000 0.434 212 S N 0.948 116.627 115.700 -0.035 0.000 2.560 212 S HA -0.085 4.385 4.470 -0.000 0.000 0.276 212 S C 1.368 175.949 174.600 -0.032 0.000 1.350 212 S CA -0.054 58.131 58.200 -0.025 0.000 1.024 212 S CB 1.024 64.211 63.200 -0.022 0.000 0.864 212 S HN 0.791 nan 8.310 nan 0.000 0.536 213 S N 1.839 117.527 115.700 -0.021 0.000 2.419 213 S HA -0.114 4.356 4.470 -0.000 0.000 0.233 213 S C 1.934 176.521 174.600 -0.021 0.000 1.016 213 S CA 0.893 59.081 58.200 -0.020 0.000 0.974 213 S CB -1.115 62.078 63.200 -0.012 0.000 0.786 213 S HN 1.105 nan 8.310 nan 0.000 0.492 214 A N 1.738 124.545 122.820 -0.022 0.000 1.902 214 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 214 A C 1.977 179.542 177.584 -0.031 0.000 1.181 214 A CA 1.736 53.760 52.037 -0.022 0.000 0.623 214 A CB -0.971 18.016 19.000 -0.021 0.000 0.818 214 A HN 0.552 nan 8.150 nan 0.000 0.443 215 D N -0.675 119.699 120.400 -0.043 0.000 2.117 215 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 215 D C 2.220 178.482 176.300 -0.063 0.000 0.982 215 D CA 1.006 54.970 54.000 -0.061 0.000 0.828 215 D CB -0.274 40.477 40.800 -0.081 0.000 0.967 215 D HN 0.410 nan 8.370 nan 0.000 0.464 216 R N 0.393 120.858 120.500 -0.059 0.000 2.073 216 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 216 R C 2.209 178.488 176.300 -0.035 0.000 1.134 216 R CA 1.151 57.218 56.100 -0.055 0.000 0.952 216 R CB -0.143 30.129 30.300 -0.046 0.000 0.850 216 R HN 0.248 nan 8.270 nan 0.000 0.433 217 E N 0.939 121.126 120.200 -0.021 0.000 2.058 217 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 217 E C 1.692 178.293 176.600 0.003 0.000 0.997 217 E CA 1.489 57.886 56.400 -0.005 0.000 0.801 217 E CB 0.175 29.875 29.700 0.001 0.000 0.746 217 E HN 0.186 nan 8.360 nan 0.000 0.450 218 K N 0.019 120.417 120.400 -0.003 0.000 2.063 218 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 218 K C 2.218 178.842 176.600 0.039 0.000 1.048 218 K CA 1.164 57.458 56.287 0.011 0.000 0.928 218 K CB -0.088 32.401 32.500 -0.018 0.000 0.713 218 K HN 0.193 nan 8.250 nan 0.000 0.442 219 L N 0.784 122.013 121.223 0.009 0.000 2.072 219 L HA -0.170 4.170 4.340 -0.000 0.000 0.205 219 L C 2.209 179.097 176.870 0.030 0.000 1.079 219 L CA 1.253 56.119 54.840 0.044 0.000 0.752 219 L CB -0.243 41.806 42.059 -0.017 0.000 0.906 219 L HN 0.220 nan 8.230 nan 0.000 0.436 220 E N -0.137 120.031 120.200 -0.054 0.000 2.051 220 E HA -0.290 4.060 4.350 -0.000 0.000 0.192 220 E C 2.192 178.672 176.600 -0.200 0.000 0.991 220 E CA 1.364 57.651 56.400 -0.189 0.000 0.799 220 E CB -0.132 29.503 29.700 -0.109 0.000 0.748 220 E HN 0.327 nan 8.360 nan 0.000 0.449 221 R N 0.594 121.089 120.500 -0.007 0.000 2.073 221 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 221 R C 2.235 178.568 176.300 0.055 0.000 1.134 221 R CA 1.537 57.675 56.100 0.063 0.000 0.952 221 R CB -0.509 29.837 30.300 0.077 0.000 0.850 221 R HN 0.186 nan 8.270 nan 0.000 0.433 222 F N 1.250 121.167 119.950 -0.054 0.000 2.126 222 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 222 F C 1.950 177.717 175.800 -0.055 0.000 1.096 222 F CA 1.998 59.972 58.000 -0.044 0.000 1.255 222 F CB -0.457 38.514 39.000 -0.048 0.000 0.997 222 F HN 0.023 nan 8.300 nan 0.000 0.479 223 S N -0.817 114.700 115.700 -0.305 0.000 2.383 223 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 223 S C 1.707 176.124 174.600 -0.305 0.000 1.026 223 S CA 1.400 59.357 58.200 -0.405 0.000 0.981 223 S CB -0.711 62.319 63.200 -0.283 0.000 0.818 223 S HN 0.622 nan 8.310 nan 0.000 0.472 224 H N 0.497 119.478 119.070 -0.148 0.000 2.395 224 H HA 0.106 4.662 4.556 -0.000 0.000 0.299 224 H C 2.384 177.631 175.328 -0.134 0.000 1.070 224 H CA 1.074 57.053 56.048 -0.114 0.000 1.356 224 H CB 0.019 29.740 29.762 -0.068 0.000 1.401 224 H HN 0.231 nan 8.280 nan 0.000 0.524 225 S N 0.205 115.877 115.700 -0.046 0.000 2.382 225 S HA -0.117 4.352 4.470 -0.000 0.000 0.228 225 S C 1.562 176.078 174.600 -0.140 0.000 1.027 225 S CA 1.141 59.294 58.200 -0.078 0.000 0.991 225 S CB 0.028 63.186 63.200 -0.070 0.000 0.823 225 S HN 0.406 nan 8.310 nan 0.000 0.469 226 E N -0.160 119.876 120.200 -0.274 0.000 2.481 226 E HA 0.222 4.572 4.350 -0.000 0.000 0.198 226 E C 1.108 177.605 176.600 -0.172 0.000 1.027 226 E CA 0.259 56.498 56.400 -0.267 0.000 0.900 226 E CB 0.063 29.462 29.700 -0.502 0.000 0.993 226 E HN 0.468 nan 8.360 nan 0.000 0.482 227 G N 1.958 110.684 108.800 -0.124 0.000 2.283 227 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.280 227 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.280 227 G C 0.232 175.087 174.900 -0.075 0.000 1.029 227 G CA 0.323 45.382 45.100 -0.069 0.000 0.840 227 G HN 0.198 nan 8.290 nan 0.000 0.505 228 L N 0.234 121.386 121.223 -0.118 0.000 2.334 228 L HA 0.351 4.691 4.340 -0.000 0.000 0.277 228 L C -0.105 176.734 176.870 -0.051 0.000 1.075 228 L CA -0.893 53.898 54.840 -0.081 0.000 0.804 228 L CB 0.802 42.789 42.059 -0.120 0.000 1.174 228 L HN 0.040 nan 8.230 nan 0.000 0.438 229 D N 3.112 123.513 120.400 0.001 0.000 2.348 229 D HA 0.309 4.949 4.640 -0.000 0.000 0.253 229 D C -0.302 176.011 176.300 0.021 0.000 1.161 229 D CA -0.182 53.816 54.000 -0.004 0.000 0.876 229 D CB 1.875 42.727 40.800 0.087 0.000 1.160 229 D HN 0.084 nan 8.370 nan 0.000 0.459 230 L N 3.492 124.644 121.223 -0.117 0.000 2.307 230 L HA 0.391 4.731 4.340 -0.000 0.000 0.284 230 L C -1.590 175.163 176.870 -0.195 0.000 1.023 230 L CA -0.556 54.248 54.840 -0.062 0.000 0.810 230 L CB 0.620 42.623 42.059 -0.092 0.000 1.231 230 L HN 0.255 nan 8.230 nan 0.000 0.423 231 Y N 4.940 125.243 120.300 0.005 0.000 2.425 231 Y HA 0.640 5.190 4.550 -0.000 0.000 0.344 231 Y C -0.677 175.240 175.900 0.030 0.000 0.969 231 Y CA -0.814 57.294 58.100 0.013 0.000 1.052 231 Y CB 1.931 40.400 38.460 0.014 0.000 1.215 231 Y HN 0.369 nan 8.280 nan 0.000 0.451 232 L N 2.994 124.331 121.223 0.188 0.000 2.341 232 L HA 0.813 5.153 4.340 -0.000 0.000 0.278 232 L C -0.509 176.463 176.870 0.170 0.000 1.005 232 L CA -1.081 53.876 54.840 0.195 0.000 0.818 232 L CB 1.935 44.116 42.059 0.202 0.000 1.259 232 L HN 0.757 nan 8.230 nan 0.000 0.418 233 A N 4.540 127.428 122.820 0.114 0.000 2.508 233 A HA 0.562 4.882 4.320 -0.000 0.000 0.336 233 A C -1.950 175.491 177.584 -0.240 0.000 1.360 233 A CA -1.255 50.777 52.037 -0.009 0.000 0.841 233 A CB 0.356 19.357 19.000 0.001 0.000 1.136 233 A HN 0.517 nan 8.150 nan 0.000 0.489 234 P HA 0.011 nan 4.420 nan 0.000 0.231 234 P C -0.182 176.943 177.300 -0.291 0.000 1.168 234 P CA 1.291 64.052 63.100 -0.565 0.000 0.779 234 P CB 0.220 31.781 31.700 -0.232 0.000 0.844 235 D N -2.143 118.167 120.400 -0.150 0.000 2.946 235 D HA 0.047 4.687 4.640 -0.000 0.000 0.337 235 D C 0.752 177.033 176.300 -0.031 0.000 1.332 235 D CA -0.283 53.670 54.000 -0.078 0.000 0.935 235 D CB -0.404 40.362 40.800 -0.056 0.000 1.440 235 D HN -0.219 nan 8.370 nan 0.000 0.540 236 S N -1.191 114.504 115.700 -0.008 0.000 2.461 236 S HA 0.010 4.480 4.470 -0.000 0.000 0.228 236 S C 1.016 175.626 174.600 0.016 0.000 1.005 236 S CA 0.700 58.908 58.200 0.014 0.000 0.942 236 S CB -0.350 62.861 63.200 0.019 0.000 0.776 236 S HN 0.541 nan 8.310 nan 0.000 0.514 237 E N 0.047 120.252 120.200 0.008 0.000 2.489 237 E HA 0.304 4.654 4.350 -0.000 0.000 0.204 237 E C -0.470 176.137 176.600 0.012 0.000 1.006 237 E CA -0.062 56.345 56.400 0.011 0.000 0.936 237 E CB 0.466 30.171 29.700 0.008 0.000 1.002 237 E HN 0.402 nan 8.360 nan 0.000 0.488 238 I N 1.541 122.117 120.570 0.009 0.000 2.509 238 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 238 I C -0.833 175.303 176.117 0.032 0.000 1.020 238 I CA -0.988 60.322 61.300 0.016 0.000 1.088 238 I CB 1.823 39.826 38.000 0.006 0.000 1.267 238 I HN -0.050 nan 8.210 nan 0.000 0.430 239 L N 5.807 127.063 121.223 0.055 0.000 2.415 239 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 239 L C -0.260 176.686 176.870 0.126 0.000 0.984 239 L CA -0.134 54.766 54.840 0.100 0.000 0.853 239 L CB 1.379 43.499 42.059 0.103 0.000 1.215 239 L HN 0.633 nan 8.230 nan 0.000 0.419 240 E N 2.771 123.045 120.200 0.124 0.000 2.200 240 E HA 0.333 4.683 4.350 -0.000 0.000 0.283 240 E C -0.926 175.702 176.600 0.046 0.000 1.015 240 E CA -0.449 55.997 56.400 0.076 0.000 0.819 240 E CB 0.952 30.687 29.700 0.060 0.000 1.081 240 E HN 0.603 nan 8.360 nan 0.000 0.397 241 T N 4.029 118.561 114.554 -0.036 0.000 2.749 241 T HA 0.143 4.493 4.350 -0.000 0.000 0.295 241 T C 0.884 175.456 174.700 -0.214 0.000 0.936 241 T CA -0.565 61.373 62.100 -0.269 0.000 1.060 241 T CB 1.326 70.067 68.868 -0.212 0.000 0.904 241 T HN 0.341 nan 8.240 nan 0.000 0.500 242 V N 2.432 122.185 119.914 -0.269 0.000 2.788 242 V HA 0.173 4.293 4.120 -0.000 0.000 0.241 242 V C 1.033 177.034 176.094 -0.154 0.000 1.083 242 V CA 0.486 62.690 62.300 -0.161 0.000 1.103 242 V CB 0.209 31.954 31.823 -0.130 0.000 0.800 242 V HN 0.941 nan 8.190 nan 0.000 0.476 243 S N -1.080 114.486 115.700 -0.224 0.000 2.556 243 S HA 0.805 5.275 4.470 -0.000 0.000 0.271 243 S C -0.364 174.129 174.600 -0.178 0.000 1.135 243 S CA -0.061 58.064 58.200 -0.126 0.000 0.858 243 S CB 2.176 65.332 63.200 -0.074 0.000 1.114 243 S HN 1.480 nan 8.310 nan 0.000 0.468 244 G N 1.087 109.841 108.800 -0.077 0.000 2.479 244 G HA2 0.265 4.225 3.960 -0.000 0.000 0.686 244 G HA3 0.265 4.225 3.960 -0.000 0.000 0.686 244 G C -1.545 173.336 174.900 -0.033 0.000 1.295 244 G CA -0.776 44.293 45.100 -0.052 0.000 0.922 244 G HN 0.818 nan 8.290 nan 0.000 0.582 245 E N -0.242 119.963 120.200 0.009 0.000 2.259 245 E HA 0.510 4.860 4.350 -0.000 0.000 0.257 245 E C 0.839 177.475 176.600 0.059 0.000 0.998 245 E CA -1.180 55.243 56.400 0.039 0.000 0.866 245 E CB 0.900 30.644 29.700 0.073 0.000 1.220 245 E HN 0.759 nan 8.360 nan 0.000 0.415 246 M N 3.231 122.876 119.600 0.074 0.000 2.336 246 M HA 0.012 4.492 4.480 -0.000 0.000 0.371 246 M C -2.075 174.281 176.300 0.094 0.000 1.542 246 M CA -0.577 54.767 55.300 0.073 0.000 0.959 246 M CB 0.263 32.913 32.600 0.084 0.000 2.033 246 M HN 0.071 nan 8.290 nan 0.000 0.472 247 P HA 0.370 nan 4.420 nan 0.000 0.278 247 P C -1.618 175.683 177.300 0.002 0.000 1.258 247 P CA -0.207 62.800 63.100 -0.155 0.000 0.811 247 P CB 0.697 32.160 31.700 -0.396 0.000 1.063 248 W N 1.042 122.452 121.300 0.183 0.000 3.298 248 W HA 0.448 5.108 4.660 -0.000 0.000 0.302 248 W C -2.436 174.308 176.519 0.375 0.000 1.255 248 W CA -1.129 56.385 57.345 0.282 0.000 1.196 248 W CB 0.048 29.546 29.460 0.062 0.000 1.364 248 W HN 0.526 nan 8.180 nan 0.000 0.566 249 Y N -0.211 120.392 120.300 0.506 0.000 2.570 249 Y HA 0.543 5.093 4.550 -0.000 0.000 0.345 249 Y C -0.634 175.479 175.900 0.355 0.000 1.014 249 Y CA -1.357 56.909 58.100 0.276 0.000 1.063 249 Y CB 1.537 39.998 38.460 0.001 0.000 1.272 249 Y HN 0.404 nan 8.280 nan 0.000 0.477 250 D N 1.996 122.616 120.400 0.366 0.000 2.325 250 D HA 0.111 4.751 4.640 -0.000 0.000 0.251 250 D C -1.008 175.392 176.300 0.167 0.000 1.196 250 D CA 0.247 54.372 54.000 0.209 0.000 0.866 250 D CB 1.220 42.157 40.800 0.228 0.000 1.101 250 D HN 0.582 nan 8.370 nan 0.000 0.476 251 S N 4.400 120.113 115.700 0.021 0.000 2.601 251 S HA 0.182 4.652 4.470 -0.000 0.000 0.312 251 S C 0.251 174.850 174.600 -0.003 0.000 1.107 251 S CA -0.538 57.690 58.200 0.045 0.000 1.129 251 S CB -0.252 62.947 63.200 -0.001 0.000 0.982 251 S HN 0.715 nan 8.310 nan 0.000 0.469 252 N N 3.269 121.971 118.700 0.003 0.000 2.815 252 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 252 N C 0.774 176.281 175.510 -0.005 0.000 1.114 252 N CA 0.854 53.899 53.050 -0.010 0.000 0.717 252 N CB -1.317 37.158 38.487 -0.021 0.000 1.074 252 N HN 1.362 nan 8.380 nan 0.000 0.555 253 G N -0.600 108.204 108.800 0.005 0.000 2.212 253 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.266 253 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.266 253 G C 0.159 175.045 174.900 -0.024 0.000 0.978 253 G CA 0.755 45.855 45.100 0.001 0.000 0.632 253 G HN 0.378 nan 8.290 nan 0.000 0.537 254 L N 0.246 121.447 121.223 -0.037 0.000 2.399 254 L HA 0.564 4.904 4.340 -0.000 0.000 0.266 254 L C 1.044 177.855 176.870 -0.098 0.000 1.114 254 L CA -0.842 53.955 54.840 -0.071 0.000 0.804 254 L CB 0.913 42.933 42.059 -0.065 0.000 1.146 254 L HN 0.089 nan 8.230 nan 0.000 0.451 255 R N 3.240 123.643 120.500 -0.162 0.000 2.294 255 R HA 0.584 4.923 4.340 -0.000 0.000 0.319 255 R C -1.231 174.963 176.300 -0.176 0.000 0.984 255 R CA -0.549 55.434 56.100 -0.196 0.000 0.861 255 R CB 1.135 31.094 30.300 -0.568 0.000 1.104 255 R HN 0.464 nan 8.270 nan 0.000 0.451 256 L N 2.259 123.378 121.223 -0.174 0.000 2.343 256 L HA 0.309 4.649 4.340 -0.000 0.000 0.278 256 L C 0.515 177.392 176.870 0.012 0.000 0.996 256 L CA -0.638 54.084 54.840 -0.197 0.000 0.831 256 L CB 2.012 43.803 42.059 -0.447 0.000 1.232 256 L HN 0.571 nan 8.230 nan 0.000 0.413 257 T N 2.789 117.400 114.554 0.095 0.000 2.813 257 T HA 0.535 4.885 4.350 -0.000 0.000 0.297 257 T C -0.533 174.323 174.700 0.259 0.000 1.036 257 T CA 0.008 62.216 62.100 0.180 0.000 1.044 257 T CB 0.396 69.300 68.868 0.060 0.000 0.993 257 T HN 0.384 nan 8.240 nan 0.000 0.535 258 F N -0.168 119.837 119.950 0.092 0.000 2.685 258 F HA 0.666 5.193 4.527 0.000 0.000 0.315 258 F C -0.377 175.444 175.800 0.036 0.000 1.126 258 F CA -1.319 56.733 58.000 0.086 0.000 0.950 258 F CB 1.194 40.294 39.000 0.168 0.000 1.360 258 F HN 0.414 nan 8.300 nan 0.000 0.469 259 S N 1.938 117.727 115.700 0.149 0.000 2.439 259 S HA 0.394 4.864 4.470 -0.000 0.000 0.282 259 S C -1.839 172.804 174.600 0.071 0.000 1.170 259 S CA -1.271 56.944 58.200 0.025 0.000 1.054 259 S CB 0.756 63.991 63.200 0.059 0.000 0.956 259 S HN 0.522 nan 8.310 nan 0.000 0.490 260 P HA -0.072 nan 4.420 nan 0.000 0.216 260 P C 1.153 178.431 177.300 -0.038 0.000 1.150 260 P CA 1.136 64.144 63.100 -0.153 0.000 0.843 260 P CB 0.146 31.451 31.700 -0.658 0.000 0.787 261 R N -1.223 119.252 120.500 -0.041 0.000 2.275 261 R HA 0.051 4.391 4.340 -0.000 0.000 0.199 261 R C 0.362 176.705 176.300 0.071 0.000 0.989 261 R CA 0.473 56.587 56.100 0.023 0.000 1.016 261 R CB -0.007 30.310 30.300 0.027 0.000 0.918 261 R HN 0.306 nan 8.270 nan 0.000 0.473 262 D N -0.754 119.705 120.400 0.098 0.000 2.385 262 D HA 0.034 4.674 4.640 -0.000 0.000 0.254 262 D C -0.656 175.738 176.300 0.157 0.000 1.053 262 D CA -0.618 53.466 54.000 0.141 0.000 0.992 262 D CB 0.863 41.752 40.800 0.147 0.000 1.145 262 D HN -0.161 nan 8.370 nan 0.000 0.523 263 F N 1.663 121.650 119.950 0.063 0.000 2.612 263 F HA 0.068 4.595 4.527 -0.000 0.000 0.389 263 F C 0.253 176.064 175.800 0.017 0.000 1.055 263 F CA 0.342 58.365 58.000 0.037 0.000 1.232 263 F CB -0.068 38.963 39.000 0.051 0.000 1.044 263 F HN 0.145 nan 8.300 nan 0.000 0.560 264 I N 2.890 122.903 120.570 -0.929 0.000 2.969 264 I HA 0.399 4.569 4.170 -0.000 0.000 0.307 264 I C -0.983 174.333 176.117 -1.336 0.000 1.149 264 I CA -1.376 59.365 61.300 -0.932 0.000 1.008 264 I CB 1.636 39.157 38.000 -0.798 0.000 1.232 264 I HN 0.316 nan 8.210 nan 0.000 0.435 265 Q N 2.322 121.658 119.800 -0.773 0.000 2.361 265 Q HA 0.074 4.414 4.340 -0.000 0.000 0.276 265 Q C 1.022 176.747 176.000 -0.458 0.000 1.022 265 Q CA 0.214 55.749 55.803 -0.446 0.000 0.898 265 Q CB 2.031 30.651 28.738 -0.197 0.000 1.246 265 Q HN 0.795 nan 8.270 nan 0.000 0.410 266 V N -0.691 119.060 119.914 -0.271 0.000 3.650 266 V HA 0.182 4.302 4.120 -0.000 0.000 0.271 266 V C 0.309 176.323 176.094 -0.134 0.000 1.281 266 V CA 0.279 62.461 62.300 -0.196 0.000 1.120 266 V CB 0.225 32.035 31.823 -0.022 0.000 0.856 266 V HN 0.561 nan 8.190 nan 0.000 0.443 267 N N 0.719 119.314 118.700 -0.175 0.000 2.524 267 N HA 0.557 5.297 4.740 -0.000 0.000 0.261 267 N C 0.788 176.191 175.510 -0.178 0.000 0.998 267 N CA 0.485 53.459 53.050 -0.126 0.000 0.915 267 N CB 1.966 40.329 38.487 -0.207 0.000 1.187 267 N HN 0.219 nan 8.380 nan 0.000 0.507 268 A N 3.076 125.804 122.820 -0.154 0.000 1.877 268 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 268 A C 1.836 179.349 177.584 -0.118 0.000 1.186 268 A CA 2.033 53.974 52.037 -0.160 0.000 0.620 268 A CB -0.944 17.988 19.000 -0.115 0.000 0.822 268 A HN 0.652 nan 8.150 nan 0.000 0.443 269 G N -0.796 107.948 108.800 -0.093 0.000 2.404 269 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.215 269 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.215 269 G C 1.477 176.308 174.900 -0.116 0.000 1.174 269 G CA 1.168 46.218 45.100 -0.082 0.000 0.780 269 G HN 0.320 nan 8.290 nan 0.000 0.537 270 V N 1.396 121.216 119.914 -0.157 0.000 2.515 270 V HA -0.177 3.942 4.120 -0.000 0.000 0.250 270 V C 2.557 178.546 176.094 -0.175 0.000 1.058 270 V CA 1.928 64.116 62.300 -0.187 0.000 1.064 270 V CB -0.523 31.143 31.823 -0.261 0.000 0.675 270 V HN 0.459 nan 8.190 nan 0.000 0.461 271 N N 0.351 118.943 118.700 -0.179 0.000 2.120 271 N HA -0.207 4.532 4.740 -0.000 0.000 0.188 271 N C 1.922 177.335 175.510 -0.162 0.000 1.024 271 N CA 1.692 54.632 53.050 -0.183 0.000 0.852 271 N CB -0.175 38.184 38.487 -0.212 0.000 1.003 271 N HN 0.553 nan 8.380 nan 0.000 0.424 272 Q N -0.141 119.588 119.800 -0.118 0.000 2.096 272 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 272 Q C 1.878 177.818 176.000 -0.101 0.000 0.982 272 Q CA 1.398 57.149 55.803 -0.087 0.000 0.850 272 Q CB -0.089 28.617 28.738 -0.052 0.000 0.901 272 Q HN 0.429 nan 8.270 nan 0.000 0.422 273 K N 0.308 120.643 120.400 -0.108 0.000 2.103 273 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 273 K C 2.061 178.579 176.600 -0.137 0.000 1.052 273 K CA 1.025 57.245 56.287 -0.112 0.000 0.945 273 K CB -0.103 32.329 32.500 -0.112 0.000 0.722 273 K HN 0.192 nan 8.250 nan 0.000 0.443 274 M N 0.781 120.297 119.600 -0.140 0.000 2.067 274 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 274 M C 1.906 178.165 176.300 -0.069 0.000 1.069 274 M CA 1.603 56.834 55.300 -0.116 0.000 1.117 274 M CB 0.021 32.581 32.600 -0.067 0.000 1.334 274 M HN -0.076 nan 8.290 nan 0.000 0.407 275 V N 0.933 120.758 119.914 -0.149 0.000 2.295 275 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 275 V C 2.710 178.782 176.094 -0.037 0.000 1.049 275 V CA 1.966 64.176 62.300 -0.151 0.000 1.024 275 V CB -1.565 30.059 31.823 -0.332 0.000 0.648 275 V HN 0.675 nan 8.190 nan 0.000 0.447 276 A N -0.058 122.718 122.820 -0.074 0.000 1.933 276 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 276 A C 2.309 179.843 177.584 -0.083 0.000 1.175 276 A CA 2.106 54.110 52.037 -0.055 0.000 0.628 276 A CB -0.493 18.475 19.000 -0.053 0.000 0.814 276 A HN 0.441 nan 8.150 nan 0.000 0.444 277 R N -0.097 120.301 120.500 -0.169 0.000 2.073 277 R HA 0.059 4.399 4.340 -0.000 0.000 0.229 277 R C 2.258 178.291 176.300 -0.444 0.000 1.120 277 R CA 1.620 57.510 56.100 -0.351 0.000 0.967 277 R CB -0.832 29.161 30.300 -0.511 0.000 0.862 277 R HN 0.401 nan 8.270 nan 0.000 0.436 278 A N 0.319 122.985 122.820 -0.257 0.000 1.917 278 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 278 A C 1.978 179.602 177.584 0.065 0.000 1.182 278 A CA 1.589 53.590 52.037 -0.061 0.000 0.633 278 A CB -0.673 18.433 19.000 0.177 0.000 0.819 278 A HN 0.276 nan 8.150 nan 0.000 0.448 279 L N -0.371 120.894 121.223 0.070 0.000 2.027 279 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 279 L C 2.435 179.363 176.870 0.097 0.000 1.074 279 L CA 2.154 57.048 54.840 0.090 0.000 0.745 279 L CB -0.815 41.288 42.059 0.074 0.000 0.898 279 L HN 0.479 nan 8.230 nan 0.000 0.433 280 E N -1.558 118.684 120.200 0.070 0.000 2.097 280 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 280 E C 2.066 178.821 176.600 0.258 0.000 1.000 280 E CA 1.546 58.020 56.400 0.124 0.000 0.804 280 E CB -0.270 29.488 29.700 0.096 0.000 0.740 280 E HN 0.444 nan 8.360 nan 0.000 0.454 281 W N 0.659 121.981 121.300 0.036 0.000 2.363 281 W HA -0.054 4.606 4.660 -0.000 0.000 0.296 281 W C 1.963 178.505 176.519 0.037 0.000 1.212 281 W CA 0.588 57.950 57.345 0.028 0.000 1.260 281 W CB -0.768 28.703 29.460 0.019 0.000 1.131 281 W HN 0.100 nan 8.180 nan 0.000 0.530 282 L N -0.031 121.356 121.223 0.273 0.000 2.376 282 L HA -0.107 4.233 4.340 -0.000 0.000 0.219 282 L C 0.515 177.467 176.870 0.135 0.000 1.133 282 L CA 1.125 56.071 54.840 0.177 0.000 0.816 282 L CB -0.720 41.422 42.059 0.139 0.000 0.933 282 L HN -0.076 nan 8.230 nan 0.000 0.449 283 D N 0.557 121.037 120.400 0.134 0.000 2.735 283 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 283 D C -0.382 175.968 176.300 0.084 0.000 1.175 283 D CA 0.145 54.206 54.000 0.102 0.000 0.683 283 D CB -0.704 40.151 40.800 0.092 0.000 1.008 283 D HN -0.112 nan 8.370 nan 0.000 0.416 284 V N 2.555 122.518 119.914 0.081 0.000 2.470 284 V HA 0.119 4.239 4.120 -0.000 0.000 0.276 284 V C 0.916 177.047 176.094 0.062 0.000 1.040 284 V CA -0.117 62.227 62.300 0.074 0.000 1.008 284 V CB 1.402 33.268 31.823 0.072 0.000 0.990 284 V HN 0.236 nan 8.190 nan 0.000 0.477 285 Q N 7.552 127.387 119.800 0.059 0.000 2.260 285 Q HA 0.312 4.652 4.340 -0.000 0.000 0.242 285 Q C -1.478 174.548 176.000 0.044 0.000 0.932 285 Q CA -2.458 53.374 55.803 0.048 0.000 0.891 285 Q CB 0.876 29.642 28.738 0.047 0.000 1.222 285 Q HN 0.385 nan 8.270 nan 0.000 0.453 286 P HA -0.131 nan 4.420 nan 0.000 0.223 286 P C -0.203 177.116 177.300 0.032 0.000 1.144 286 P CA 1.182 64.301 63.100 0.032 0.000 0.783 286 P CB 0.508 32.223 31.700 0.026 0.000 0.771 287 E N -0.905 119.314 120.200 0.033 0.000 2.481 287 E HA 0.081 4.431 4.350 -0.000 0.000 0.198 287 E C 0.119 176.742 176.600 0.039 0.000 1.027 287 E CA -0.103 56.315 56.400 0.030 0.000 0.900 287 E CB -0.357 29.358 29.700 0.025 0.000 0.993 287 E HN 0.200 nan 8.360 nan 0.000 0.482 288 D N 1.590 122.020 120.400 0.051 0.000 2.389 288 D HA 0.070 4.710 4.640 -0.000 0.000 0.247 288 D C -0.115 176.235 176.300 0.084 0.000 1.128 288 D CA 0.009 54.051 54.000 0.070 0.000 0.884 288 D CB 0.711 41.559 40.800 0.080 0.000 1.194 288 D HN -0.041 nan 8.370 nan 0.000 0.441 289 R N 1.918 122.484 120.500 0.110 0.000 2.229 289 R HA 0.445 4.785 4.340 -0.000 0.000 0.332 289 R C -1.395 175.098 176.300 0.322 0.000 0.989 289 R CA -0.553 55.644 56.100 0.162 0.000 0.842 289 R CB 0.532 30.863 30.300 0.051 0.000 1.119 289 R HN 0.134 nan 8.270 nan 0.000 0.456 290 V N 5.984 126.072 119.914 0.290 0.000 2.555 290 V HA 0.396 4.516 4.120 -0.000 0.000 0.302 290 V C -0.784 175.325 176.094 0.026 0.000 1.038 290 V CA -0.992 61.410 62.300 0.169 0.000 0.887 290 V CB 1.598 33.467 31.823 0.077 0.000 0.991 290 V HN 0.628 nan 8.190 nan 0.000 0.434 291 L N 3.789 124.806 121.223 -0.343 0.000 2.322 291 L HA 0.743 5.083 4.340 -0.000 0.000 0.281 291 L C -0.851 175.781 176.870 -0.396 0.000 1.014 291 L CA 0.093 54.516 54.840 -0.694 0.000 0.815 291 L CB 1.562 42.816 42.059 -1.342 0.000 1.247 291 L HN 0.717 nan 8.230 nan 0.000 0.421 292 D N 4.880 125.083 120.400 -0.329 0.000 2.462 292 D HA 0.373 5.013 4.640 -0.000 0.000 0.245 292 D C -1.107 175.016 176.300 -0.296 0.000 1.122 292 D CA -0.135 53.719 54.000 -0.244 0.000 0.864 292 D CB 0.735 41.467 40.800 -0.115 0.000 1.098 292 D HN 0.547 nan 8.370 nan 0.000 0.541 293 L N 3.761 124.780 121.223 -0.339 0.000 2.357 293 L HA 0.442 4.781 4.340 -0.000 0.000 0.273 293 L C 0.285 177.069 176.870 -0.143 0.000 1.080 293 L CA -0.994 53.575 54.840 -0.451 0.000 0.803 293 L CB 0.455 42.173 42.059 -0.569 0.000 1.174 293 L HN 0.470 nan 8.230 nan 0.000 0.443 294 F N 0.540 120.357 119.950 -0.222 0.000 2.983 294 F HA -0.228 4.299 4.527 -0.000 0.000 0.288 294 F C 1.494 177.257 175.800 -0.061 0.000 0.980 294 F CA 0.417 58.334 58.000 -0.138 0.000 0.965 294 F CB -2.013 36.885 39.000 -0.170 0.000 0.967 294 F HN 0.666 nan 8.300 nan 0.000 0.800 295 C N -1.196 118.160 119.300 0.093 0.000 2.562 295 C HA 0.570 5.030 4.460 -0.000 0.000 0.266 295 C C 2.198 177.330 174.990 0.237 0.000 1.382 295 C CA 0.038 59.162 59.018 0.176 0.000 1.742 295 C CB -0.926 26.936 27.740 0.203 0.000 1.812 295 C HN 1.575 nan 8.230 nan 0.000 0.559 296 G N 2.786 111.702 108.800 0.192 0.000 2.634 296 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.309 296 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.309 296 G C 0.367 175.360 174.900 0.156 0.000 1.265 296 G CA 1.617 46.836 45.100 0.199 0.000 0.998 296 G HN 1.019 nan 8.290 nan 0.000 0.551 297 M N 0.475 120.178 119.600 0.172 0.000 2.505 297 M HA 0.549 5.029 4.480 -0.000 0.000 0.230 297 M C 1.558 177.894 176.300 0.060 0.000 1.153 297 M CA 0.182 55.522 55.300 0.068 0.000 0.997 297 M CB -0.524 32.159 32.600 0.139 0.000 1.606 297 M HN 2.517 nan 8.290 nan 0.000 0.481 298 G N 0.828 109.745 108.800 0.196 0.000 2.131 298 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.201 298 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.201 298 G C 0.726 175.767 174.900 0.235 0.000 1.000 298 G CA 0.313 45.588 45.100 0.292 0.000 0.680 298 G HN 0.509 nan 8.290 nan 0.000 0.514 299 N N -0.040 118.800 118.700 0.234 0.000 2.049 299 N HA -0.141 4.599 4.740 -0.000 0.000 0.198 299 N C 1.778 177.308 175.510 0.033 0.000 1.030 299 N CA 2.696 55.833 53.050 0.145 0.000 0.870 299 N CB -0.374 38.203 38.487 0.150 0.000 1.045 299 N HN 0.554 nan 8.380 nan 0.000 0.434 300 F N -0.951 119.074 119.950 0.126 0.000 2.446 300 F HA 0.162 4.689 4.527 -0.000 0.000 0.292 300 F C 2.389 178.234 175.800 0.075 0.000 1.096 300 F CA 0.760 58.810 58.000 0.083 0.000 1.438 300 F CB -0.454 38.582 39.000 0.060 0.000 1.107 300 F HN -0.022 nan 8.300 nan 0.000 0.546 301 T N 0.846 115.576 114.554 0.295 0.000 2.746 301 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 301 T C 2.000 176.787 174.700 0.145 0.000 1.039 301 T CA 1.298 63.508 62.100 0.183 0.000 1.142 301 T CB -0.509 68.486 68.868 0.211 0.000 0.866 301 T HN 0.067 nan 8.240 nan 0.000 0.444 302 L N 0.917 122.244 121.223 0.174 0.000 2.027 302 L HA 0.027 4.367 4.340 -0.000 0.000 0.206 302 L C -0.545 176.370 176.870 0.075 0.000 1.074 302 L CA 1.523 56.436 54.840 0.121 0.000 0.745 302 L CB -1.381 40.743 42.059 0.108 0.000 0.898 302 L HN 0.159 nan 8.230 nan 0.000 0.433 303 P HA -0.197 nan 4.420 nan 0.000 0.216 303 P C 1.939 179.280 177.300 0.068 0.000 1.153 303 P CA 1.444 64.576 63.100 0.054 0.000 0.858 303 P CB -0.000 31.728 31.700 0.047 0.000 0.789 304 L N -1.182 120.097 121.223 0.093 0.000 2.079 304 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 304 L C 2.437 179.341 176.870 0.055 0.000 1.081 304 L CA 1.559 56.446 54.840 0.078 0.000 0.752 304 L CB -1.176 40.931 42.059 0.080 0.000 0.896 304 L HN -0.036 nan 8.230 nan 0.000 0.433 305 A N -0.005 122.844 122.820 0.049 0.000 2.019 305 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 305 A C 2.374 179.978 177.584 0.034 0.000 1.164 305 A CA 1.916 53.974 52.037 0.036 0.000 0.644 305 A CB -0.853 18.168 19.000 0.034 0.000 0.805 305 A HN 0.534 nan 8.150 nan 0.000 0.449 306 T N -3.203 111.371 114.554 0.035 0.000 3.072 306 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 306 T C 1.570 176.287 174.700 0.029 0.000 1.127 306 T CA 1.416 63.532 62.100 0.026 0.000 1.107 306 T CB -0.091 68.790 68.868 0.021 0.000 0.910 306 T HN 0.622 nan 8.240 nan 0.000 0.513 307 Q N 0.122 119.944 119.800 0.036 0.000 2.431 307 Q HA 0.492 4.832 4.340 -0.000 0.000 0.244 307 Q C 1.041 177.065 176.000 0.040 0.000 0.880 307 Q CA 0.122 55.948 55.803 0.039 0.000 0.954 307 Q CB 0.597 29.363 28.738 0.046 0.000 1.105 307 Q HN 0.615 nan 8.270 nan 0.000 0.558 308 A N 0.441 123.287 122.820 0.044 0.000 2.302 308 A HA 0.573 4.892 4.320 -0.000 0.000 0.285 308 A C 0.996 178.604 177.584 0.040 0.000 1.105 308 A CA 0.414 52.480 52.037 0.048 0.000 0.816 308 A CB 0.542 19.576 19.000 0.056 0.000 1.067 308 A HN 0.292 nan 8.150 nan 0.000 0.489 309 A N 0.857 123.702 122.820 0.041 0.000 1.908 309 A HA 0.210 4.530 4.320 -0.000 0.000 0.218 309 A C 1.231 178.836 177.584 0.034 0.000 1.181 309 A CA 2.127 54.184 52.037 0.033 0.000 0.627 309 A CB -0.340 18.678 19.000 0.030 0.000 0.818 309 A HN 1.010 nan 8.150 nan 0.000 0.445 310 S N -2.189 113.540 115.700 0.048 0.000 2.546 310 S HA 0.561 5.031 4.470 -0.000 0.000 0.272 310 S C -1.346 173.300 174.600 0.077 0.000 1.140 310 S CA -0.450 57.782 58.200 0.053 0.000 0.920 310 S CB 1.824 65.057 63.200 0.055 0.000 1.083 310 S HN 0.345 nan 8.310 nan 0.000 0.476 311 V N 3.603 123.543 119.914 0.044 0.000 2.709 311 V HA 0.639 4.759 4.120 -0.000 0.000 0.308 311 V C -0.838 175.241 176.094 -0.026 0.000 1.062 311 V CA -0.659 61.653 62.300 0.020 0.000 0.901 311 V CB 2.065 33.864 31.823 -0.040 0.000 1.003 311 V HN 0.655 nan 8.190 nan 0.000 0.425 312 V N 3.064 122.985 119.914 0.012 0.000 2.409 312 V HA 0.770 4.890 4.120 -0.000 0.000 0.291 312 V C 0.577 176.558 176.094 -0.188 0.000 1.020 312 V CA -0.286 62.011 62.300 -0.006 0.000 0.848 312 V CB 1.783 33.796 31.823 0.316 0.000 0.990 312 V HN 0.991 nan 8.190 nan 0.000 0.430 313 G N 3.401 112.000 108.800 -0.335 0.000 2.371 313 G HA2 0.648 4.608 3.960 -0.000 0.000 0.326 313 G HA3 0.648 4.608 3.960 -0.000 0.000 0.326 313 G C -1.146 173.713 174.900 -0.067 0.000 1.127 313 G CA -0.461 44.479 45.100 -0.267 0.000 0.885 313 G HN 0.567 nan 8.290 nan 0.000 0.477 314 V N 1.480 121.320 119.914 -0.124 0.000 2.577 314 V HA 0.663 4.783 4.120 -0.000 0.000 0.303 314 V C -0.692 175.315 176.094 -0.145 0.000 1.042 314 V CA -0.730 61.474 62.300 -0.161 0.000 0.872 314 V CB 1.654 33.144 31.823 -0.555 0.000 0.998 314 V HN 0.869 nan 8.190 nan 0.000 0.423 315 E N 2.526 122.720 120.200 -0.010 0.000 2.343 315 E HA 0.630 4.980 4.350 -0.000 0.000 0.278 315 E C 0.599 177.259 176.600 0.100 0.000 0.910 315 E CA 0.097 56.520 56.400 0.038 0.000 0.757 315 E CB 2.026 31.801 29.700 0.125 0.000 1.218 315 E HN 0.520 nan 8.360 nan 0.000 0.435 316 G N 1.438 110.292 108.800 0.091 0.000 2.539 316 G HA2 0.075 4.035 3.960 -0.000 0.000 0.215 316 G HA3 0.075 4.035 3.960 -0.000 0.000 0.215 316 G C -0.130 174.931 174.900 0.268 0.000 1.141 316 G CA 0.376 45.560 45.100 0.141 0.000 0.806 316 G HN 0.284 nan 8.290 nan 0.000 0.533 317 V N 2.094 122.119 119.914 0.184 0.000 2.406 317 V HA 0.189 4.309 4.120 -0.000 0.000 0.272 317 V C -1.140 174.986 176.094 0.054 0.000 1.043 317 V CA -1.237 61.140 62.300 0.128 0.000 0.915 317 V CB 1.924 33.807 31.823 0.101 0.000 0.988 317 V HN 0.023 nan 8.190 nan 0.000 0.466 318 P HA -0.186 nan 4.420 nan 0.000 0.216 318 P C 1.513 178.749 177.300 -0.107 0.000 1.153 318 P CA 1.822 64.778 63.100 -0.239 0.000 0.858 318 P CB 0.258 31.791 31.700 -0.278 0.000 0.789 319 A N -1.139 121.651 122.820 -0.051 0.000 2.015 319 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 319 A C 2.201 179.773 177.584 -0.019 0.000 1.163 319 A CA 1.247 53.267 52.037 -0.029 0.000 0.646 319 A CB -1.509 17.489 19.000 -0.002 0.000 0.806 319 A HN 0.132 nan 8.150 nan 0.000 0.448 320 L N -0.949 120.279 121.223 0.009 0.000 2.095 320 L HA -0.094 4.246 4.340 -0.000 0.000 0.204 320 L C 2.481 179.313 176.870 -0.062 0.000 1.080 320 L CA 0.627 55.478 54.840 0.018 0.000 0.759 320 L CB -0.477 41.633 42.059 0.086 0.000 0.914 320 L HN 0.209 nan 8.230 nan 0.000 0.439 321 V N 0.136 120.024 119.914 -0.045 0.000 2.282 321 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 321 V C 2.369 178.335 176.094 -0.213 0.000 1.057 321 V CA 2.010 64.257 62.300 -0.088 0.000 1.032 321 V CB -0.462 31.375 31.823 0.023 0.000 0.645 321 V HN 0.471 nan 8.190 nan 0.000 0.447 322 E N -0.648 119.469 120.200 -0.139 0.000 2.150 322 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 322 E C 2.325 178.828 176.600 -0.161 0.000 0.985 322 E CA 0.642 56.964 56.400 -0.130 0.000 0.814 322 E CB -0.065 29.585 29.700 -0.082 0.000 0.752 322 E HN 0.439 nan 8.360 nan 0.000 0.466 323 K N 0.139 120.447 120.400 -0.153 0.000 2.097 323 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 323 K C 2.181 178.624 176.600 -0.262 0.000 1.050 323 K CA 1.011 57.214 56.287 -0.139 0.000 0.938 323 K CB -0.528 31.942 32.500 -0.050 0.000 0.718 323 K HN 0.177 nan 8.250 nan 0.000 0.442 324 G N 1.650 110.138 108.800 -0.519 0.000 2.446 324 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 324 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 324 G C 1.491 175.849 174.900 -0.903 0.000 1.168 324 G CA 0.709 45.151 45.100 -1.097 0.000 0.771 324 G HN 0.394 nan 8.290 nan 0.000 0.551 325 Q N -0.436 118.969 119.800 -0.658 0.000 2.096 325 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 325 Q C 2.584 178.538 176.000 -0.076 0.000 0.982 325 Q CA 1.629 57.338 55.803 -0.157 0.000 0.850 325 Q CB -0.235 28.460 28.738 -0.072 0.000 0.901 325 Q HN 0.700 nan 8.270 nan 0.000 0.422 326 Q N 0.527 120.261 119.800 -0.110 0.000 2.079 326 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 326 Q C 1.620 177.589 176.000 -0.052 0.000 0.974 326 Q CA 1.186 56.950 55.803 -0.064 0.000 0.840 326 Q CB 0.103 28.802 28.738 -0.064 0.000 0.898 326 Q HN 0.332 nan 8.270 nan 0.000 0.430 327 N N 0.642 119.300 118.700 -0.069 0.000 2.094 327 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 327 N C 1.612 177.127 175.510 0.009 0.000 1.023 327 N CA 1.524 54.551 53.050 -0.038 0.000 0.857 327 N CB -0.500 37.962 38.487 -0.042 0.000 1.013 327 N HN 0.395 nan 8.380 nan 0.000 0.426 328 A N 1.356 124.215 122.820 0.065 0.000 1.877 328 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 328 A C 2.315 179.925 177.584 0.042 0.000 1.186 328 A CA 1.136 53.234 52.037 0.101 0.000 0.620 328 A CB -0.411 18.706 19.000 0.195 0.000 0.822 328 A HN 0.201 nan 8.150 nan 0.000 0.443 329 R N -1.335 119.180 120.500 0.025 0.000 2.070 329 R HA -0.109 4.231 4.340 -0.000 0.000 0.233 329 R C 2.048 178.340 176.300 -0.013 0.000 1.137 329 R CA 1.417 57.520 56.100 0.006 0.000 0.945 329 R CB -0.606 29.693 30.300 -0.002 0.000 0.845 329 R HN 0.419 nan 8.270 nan 0.000 0.430 330 L N 1.309 122.516 121.223 -0.027 0.000 2.081 330 L HA -0.205 4.134 4.340 -0.000 0.000 0.212 330 L C 0.776 177.612 176.870 -0.056 0.000 1.080 330 L CA 1.883 56.693 54.840 -0.050 0.000 0.754 330 L CB -0.638 41.380 42.059 -0.069 0.000 0.893 330 L HN 0.191 nan 8.230 nan 0.000 0.433 331 N N -1.133 117.543 118.700 -0.041 0.000 2.235 331 N HA 0.274 5.014 4.740 -0.000 0.000 0.209 331 N C 0.866 176.363 175.510 -0.022 0.000 1.122 331 N CA 0.606 53.631 53.050 -0.042 0.000 0.845 331 N CB 0.408 38.872 38.487 -0.039 0.000 1.004 331 N HN 0.328 nan 8.380 nan 0.000 0.499 332 G N 0.835 109.627 108.800 -0.014 0.000 2.198 332 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.260 332 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.260 332 G C -0.254 174.649 174.900 0.005 0.000 1.025 332 G CA -0.053 45.043 45.100 -0.006 0.000 0.769 332 G HN 0.267 nan 8.290 nan 0.000 0.507 333 L N 0.331 121.563 121.223 0.015 0.000 2.255 333 L HA 0.346 4.686 4.340 -0.000 0.000 0.289 333 L C 1.327 178.215 176.870 0.029 0.000 1.046 333 L CA -0.581 54.274 54.840 0.024 0.000 0.816 333 L CB 1.228 43.309 42.059 0.037 0.000 1.197 333 L HN 0.160 nan 8.230 nan 0.000 0.427 334 Q N 2.128 121.940 119.800 0.020 0.000 2.247 334 Q HA 0.070 4.410 4.340 -0.000 0.000 0.204 334 Q C 0.263 176.272 176.000 0.014 0.000 0.872 334 Q CA 0.047 55.861 55.803 0.018 0.000 0.951 334 Q CB 0.246 28.992 28.738 0.013 0.000 1.099 334 Q HN 0.723 nan 8.270 nan 0.000 0.501 335 N N -0.111 118.596 118.700 0.012 0.000 2.282 335 N HA 0.089 4.829 4.740 -0.000 0.000 0.240 335 N C -0.534 174.969 175.510 -0.011 0.000 1.182 335 N CA -0.200 52.854 53.050 0.007 0.000 0.874 335 N CB 0.993 39.488 38.487 0.014 0.000 1.126 335 N HN -0.039 nan 8.380 nan 0.000 0.516 336 V N 0.023 119.920 119.914 -0.028 0.000 2.686 336 V HA 0.626 4.746 4.120 -0.000 0.000 0.306 336 V C -1.171 174.828 176.094 -0.158 0.000 1.065 336 V CA -0.136 62.096 62.300 -0.113 0.000 0.894 336 V CB 1.988 33.736 31.823 -0.124 0.000 1.004 336 V HN 0.257 nan 8.190 nan 0.000 0.424 337 T N 6.832 121.215 114.554 -0.285 0.000 2.887 337 T HA 0.705 5.055 4.350 -0.000 0.000 0.288 337 T C -1.157 173.214 174.700 -0.549 0.000 1.021 337 T CA -0.113 61.803 62.100 -0.306 0.000 1.000 337 T CB 1.412 70.115 68.868 -0.275 0.000 1.034 337 T HN 0.435 nan 8.240 nan 0.000 0.467 338 F N 1.558 121.336 119.950 -0.287 0.000 2.507 338 F HA 0.589 5.116 4.527 -0.000 0.000 0.325 338 F C -0.748 174.871 175.800 -0.301 0.000 1.116 338 F CA -0.907 56.980 58.000 -0.187 0.000 0.930 338 F CB 1.463 40.417 39.000 -0.077 0.000 1.146 338 F HN 0.481 nan 8.300 nan 0.000 0.447 339 Y N 0.730 121.147 120.300 0.195 0.000 2.429 339 Y HA 0.332 4.882 4.550 -0.000 0.000 0.342 339 Y C -0.299 175.711 175.900 0.183 0.000 1.004 339 Y CA -1.052 57.151 58.100 0.171 0.000 1.075 339 Y CB 1.275 39.822 38.460 0.145 0.000 1.214 339 Y HN 0.496 nan 8.280 nan 0.000 0.455 340 H N 3.471 122.686 119.070 0.242 0.000 2.761 340 H HA 0.427 4.983 4.556 -0.000 0.000 0.284 340 H C -1.083 174.328 175.328 0.139 0.000 1.105 340 H CA -0.185 55.951 56.048 0.146 0.000 1.352 340 H CB 0.282 30.111 29.762 0.113 0.000 1.423 340 H HN 0.583 nan 8.280 nan 0.000 0.464 341 E N 3.475 123.589 120.200 -0.144 0.000 2.383 341 E HA 0.126 4.476 4.350 -0.000 0.000 0.275 341 E C -0.926 175.575 176.600 -0.165 0.000 0.918 341 E CA -1.062 55.239 56.400 -0.164 0.000 0.764 341 E CB 1.667 31.384 29.700 0.029 0.000 1.252 341 E HN 0.576 nan 8.360 nan 0.000 0.449 342 N N 2.115 120.740 118.700 -0.125 0.000 2.420 342 N HA 0.153 4.893 4.740 -0.000 0.000 0.249 342 N C 0.255 175.749 175.510 -0.027 0.000 1.033 342 N CA -0.089 52.924 53.050 -0.061 0.000 0.944 342 N CB 0.440 38.906 38.487 -0.036 0.000 1.113 342 N HN 0.460 nan 8.380 nan 0.000 0.502 343 L N 2.674 123.861 121.223 -0.060 0.000 2.650 343 L HA 0.094 4.434 4.340 -0.000 0.000 0.235 343 L C 1.039 177.946 176.870 0.061 0.000 1.149 343 L CA 0.516 55.323 54.840 -0.055 0.000 0.887 343 L CB -0.002 41.838 42.059 -0.365 0.000 1.021 343 L HN 0.546 nan 8.230 nan 0.000 0.441 344 E N -0.716 119.524 120.200 0.067 0.000 2.481 344 E HA 0.081 4.431 4.350 -0.000 0.000 0.198 344 E C 0.283 176.912 176.600 0.049 0.000 1.027 344 E CA -0.101 56.342 56.400 0.072 0.000 0.900 344 E CB 0.567 30.309 29.700 0.069 0.000 0.993 344 E HN 0.499 nan 8.360 nan 0.000 0.482 345 E N 1.187 121.410 120.200 0.037 0.000 2.359 345 E HA 0.035 4.385 4.350 -0.000 0.000 0.255 345 E C -0.279 176.333 176.600 0.021 0.000 1.191 345 E CA -0.637 55.776 56.400 0.021 0.000 0.952 345 E CB 0.514 30.219 29.700 0.008 0.000 1.152 345 E HN -0.109 nan 8.360 nan 0.000 0.496 346 D N 1.049 121.450 120.400 0.001 0.000 2.383 346 D HA -0.059 4.581 4.640 -0.000 0.000 0.275 346 D C 0.280 176.557 176.300 -0.039 0.000 1.344 346 D CA 0.343 54.333 54.000 -0.017 0.000 0.984 346 D CB 0.686 41.469 40.800 -0.028 0.000 1.104 346 D HN 0.108 nan 8.370 nan 0.000 0.524 347 V N 3.591 123.483 119.914 -0.036 0.000 3.129 347 V HA -0.149 3.971 4.120 -0.000 0.000 0.259 347 V C 2.390 178.314 176.094 -0.283 0.000 1.116 347 V CA 1.901 64.156 62.300 -0.074 0.000 1.127 347 V CB -0.234 31.648 31.823 0.100 0.000 0.742 347 V HN 0.791 nan 8.190 nan 0.000 0.474 348 T N -2.287 112.138 114.554 -0.215 0.000 2.881 348 T HA -0.233 4.117 4.350 -0.000 0.000 0.270 348 T C 1.648 176.197 174.700 -0.250 0.000 1.068 348 T CA 1.414 63.366 62.100 -0.248 0.000 1.131 348 T CB -0.360 68.419 68.868 -0.149 0.000 0.871 348 T HN 0.468 nan 8.240 nan 0.000 0.479 349 K N 0.767 121.049 120.400 -0.197 0.000 2.444 349 K HA 0.186 4.506 4.320 -0.000 0.000 0.193 349 K C 0.772 177.257 176.600 -0.192 0.000 1.024 349 K CA 0.052 56.243 56.287 -0.160 0.000 1.077 349 K CB 0.198 32.638 32.500 -0.101 0.000 0.833 349 K HN 0.548 nan 8.250 nan 0.000 0.517 350 Q N 0.363 119.988 119.800 -0.292 0.000 2.235 350 Q HA 0.099 4.439 4.340 -0.000 0.000 0.250 350 Q C -1.932 173.802 176.000 -0.445 0.000 0.909 350 Q CA -2.169 53.446 55.803 -0.314 0.000 0.910 350 Q CB 1.109 29.689 28.738 -0.264 0.000 1.223 350 Q HN -0.146 nan 8.270 nan 0.000 0.432 351 P HA -0.266 nan 4.420 nan 0.000 0.217 351 P C 1.062 178.159 177.300 -0.339 0.000 1.162 351 P CA 1.710 64.591 63.100 -0.364 0.000 0.901 351 P CB -0.297 31.067 31.700 -0.559 0.000 0.793 352 W N 0.115 121.192 121.300 -0.371 0.000 2.331 352 W HA -0.059 4.601 4.660 -0.000 0.000 0.291 352 W C 1.636 178.182 176.519 0.045 0.000 1.214 352 W CA 1.042 58.328 57.345 -0.098 0.000 1.228 352 W CB -2.017 27.396 29.460 -0.079 0.000 1.135 352 W HN -0.098 nan 8.180 nan 0.000 0.537 353 A N 1.394 123.663 122.820 -0.918 0.000 2.172 353 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 353 A C 1.993 179.382 177.584 -0.325 0.000 1.154 353 A CA 1.350 52.893 52.037 -0.822 0.000 0.701 353 A CB -0.556 17.832 19.000 -1.020 0.000 0.789 353 A HN 0.410 nan 8.150 nan 0.000 0.465 354 K N 0.173 120.436 120.400 -0.228 0.000 2.358 354 K HA 0.077 4.397 4.320 -0.000 0.000 0.197 354 K C -0.282 176.250 176.600 -0.114 0.000 1.025 354 K CA 0.160 56.354 56.287 -0.155 0.000 1.104 354 K CB 0.077 32.489 32.500 -0.147 0.000 0.855 354 K HN 0.828 nan 8.250 nan 0.000 0.531 355 N N -0.516 118.118 118.700 -0.110 0.000 2.265 355 N HA 0.310 5.050 4.740 -0.000 0.000 0.300 355 N C -0.317 175.013 175.510 -0.301 0.000 1.148 355 N CA -1.030 51.906 53.050 -0.191 0.000 0.772 355 N CB 1.632 39.989 38.487 -0.217 0.000 1.434 355 N HN -0.147 nan 8.380 nan 0.000 0.481 356 G N 0.263 108.884 108.800 -0.298 0.000 2.544 356 G HA2 0.419 4.379 3.960 -0.000 0.000 0.242 356 G HA3 0.419 4.379 3.960 -0.000 0.000 0.242 356 G C -1.203 173.403 174.900 -0.489 0.000 1.247 356 G CA -0.046 44.908 45.100 -0.244 0.000 0.840 356 G HN 0.434 nan 8.290 nan 0.000 0.578 357 F N -0.799 119.185 119.950 0.056 0.000 2.601 357 F HA 0.336 4.863 4.527 -0.000 0.000 0.309 357 F C 0.658 176.495 175.800 0.061 0.000 1.089 357 F CA -0.974 57.062 58.000 0.060 0.000 0.940 357 F CB 2.478 41.521 39.000 0.072 0.000 1.273 357 F HN 0.448 nan 8.300 nan 0.000 0.450 358 D N 0.475 121.025 120.400 0.249 0.000 2.262 358 D HA 0.044 4.684 4.640 -0.000 0.000 0.212 358 D C 0.094 176.493 176.300 0.164 0.000 0.964 358 D CA 0.934 55.034 54.000 0.167 0.000 0.875 358 D CB 0.548 41.421 40.800 0.122 0.000 0.996 358 D HN 0.211 nan 8.370 nan 0.000 0.497 359 K N 1.060 121.558 120.400 0.165 0.000 2.422 359 K HA 0.553 4.873 4.320 -0.000 0.000 0.251 359 K C -0.797 175.828 176.600 0.041 0.000 0.933 359 K CA -0.750 55.602 56.287 0.109 0.000 0.798 359 K CB 3.404 35.962 32.500 0.095 0.000 1.238 359 K HN -0.226 nan 8.250 nan 0.000 0.428 360 V N 3.142 123.055 119.914 -0.002 0.000 2.588 360 V HA 0.477 4.597 4.120 -0.000 0.000 0.304 360 V C -0.731 175.308 176.094 -0.091 0.000 1.042 360 V CA -0.977 61.261 62.300 -0.103 0.000 0.877 360 V CB 2.183 33.935 31.823 -0.118 0.000 0.996 360 V HN 0.657 nan 8.190 nan 0.000 0.425 361 L N 6.544 127.675 121.223 -0.153 0.000 2.365 361 L HA 0.796 5.136 4.340 -0.000 0.000 0.273 361 L C -1.540 175.185 176.870 -0.242 0.000 1.000 361 L CA -0.559 54.174 54.840 -0.179 0.000 0.819 361 L CB 1.670 43.600 42.059 -0.214 0.000 1.284 361 L HN 0.595 nan 8.230 nan 0.000 0.418 362 L N 1.936 123.000 121.223 -0.265 0.000 2.422 362 L HA 0.677 5.017 4.340 -0.000 0.000 0.264 362 L C -1.085 175.592 176.870 -0.322 0.000 0.984 362 L CA -0.940 53.738 54.840 -0.270 0.000 0.819 362 L CB 1.226 43.095 42.059 -0.318 0.000 1.330 362 L HN 0.562 nan 8.230 nan 0.000 0.410 363 D N 2.159 122.424 120.400 -0.224 0.000 2.735 363 D HA 0.420 5.060 4.640 -0.000 0.000 0.291 363 D C -2.739 173.386 176.300 -0.291 0.000 1.205 363 D CA -0.911 52.966 54.000 -0.205 0.000 0.777 363 D CB 1.394 42.109 40.800 -0.141 0.000 1.234 363 D HN 0.491 nan 8.370 nan 0.000 0.520 364 P HA 0.389 nan 4.420 nan 0.000 0.276 364 P C -0.017 176.985 177.300 -0.497 0.000 1.261 364 P CA -0.515 61.946 63.100 -1.066 0.000 0.800 364 P CB 1.040 31.871 31.700 -1.450 0.000 1.066 365 A N 1.615 124.187 122.820 -0.415 0.000 2.346 365 A HA 0.085 4.405 4.320 -0.000 0.000 0.255 365 A C 1.778 179.268 177.584 -0.157 0.000 1.113 365 A CA -0.069 51.833 52.037 -0.225 0.000 0.798 365 A CB -0.394 18.520 19.000 -0.142 0.000 1.073 365 A HN 0.521 nan 8.150 nan 0.000 0.502 366 R N -0.345 120.107 120.500 -0.081 0.000 2.154 366 R HA -0.218 4.122 4.340 -0.000 0.000 0.248 366 R C 2.063 178.345 176.300 -0.030 0.000 1.155 366 R CA 1.602 57.683 56.100 -0.031 0.000 0.979 366 R CB -0.477 29.822 30.300 -0.002 0.000 0.869 366 R HN 0.764 nan 8.270 nan 0.000 0.452 367 A N 0.417 123.210 122.820 -0.044 0.000 2.172 367 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 367 A C 1.180 178.738 177.584 -0.043 0.000 1.154 367 A CA 1.014 53.033 52.037 -0.030 0.000 0.701 367 A CB -0.492 18.497 19.000 -0.017 0.000 0.789 367 A HN 0.515 nan 8.150 nan 0.000 0.465 368 G N -1.585 107.155 108.800 -0.100 0.000 2.598 368 G HA2 0.195 4.155 3.960 -0.000 0.000 0.244 368 G HA3 0.195 4.155 3.960 -0.000 0.000 0.244 368 G C 0.421 175.228 174.900 -0.154 0.000 1.302 368 G CA 0.050 45.092 45.100 -0.096 0.000 0.903 368 G HN 1.717 nan 8.290 nan 0.000 0.575 369 A N -1.227 121.568 122.820 -0.042 0.000 2.795 369 A HA 0.857 5.177 4.320 -0.000 0.000 0.282 369 A C 1.597 179.235 177.584 0.090 0.000 0.964 369 A CA 1.247 53.294 52.037 0.017 0.000 1.045 369 A CB -0.117 18.822 19.000 -0.102 0.000 1.174 369 A HN 2.380 nan 8.150 nan 0.000 0.493 370 A N 0.073 122.938 122.820 0.076 0.000 1.908 370 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 370 A C 2.213 179.842 177.584 0.074 0.000 1.181 370 A CA 2.160 54.237 52.037 0.067 0.000 0.627 370 A CB -0.918 18.112 19.000 0.051 0.000 0.818 370 A HN 1.056 nan 8.150 nan 0.000 0.445 371 G N -0.505 108.351 108.800 0.093 0.000 2.448 371 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.219 371 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.219 371 G C 1.441 176.407 174.900 0.110 0.000 1.127 371 G CA 1.761 46.917 45.100 0.093 0.000 0.766 371 G HN 1.117 nan 8.290 nan 0.000 0.552 372 V N -2.893 117.101 119.914 0.133 0.000 3.471 372 V HA 0.200 4.319 4.120 -0.000 0.000 0.258 372 V C 2.446 178.604 176.094 0.107 0.000 1.192 372 V CA 0.575 62.973 62.300 0.163 0.000 1.116 372 V CB 0.037 31.947 31.823 0.144 0.000 0.792 372 V HN 0.087 nan 8.190 nan 0.000 0.459 373 M N 0.242 119.877 119.600 0.058 0.000 2.080 373 M HA -0.104 4.376 4.480 -0.000 0.000 0.260 373 M C 2.353 178.660 176.300 0.011 0.000 1.068 373 M CA 1.794 57.099 55.300 0.009 0.000 1.109 373 M CB -1.416 31.183 32.600 -0.001 0.000 1.342 373 M HN 0.388 nan 8.290 nan 0.000 0.405 374 Q N 0.168 119.984 119.800 0.027 0.000 2.096 374 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 374 Q C 2.066 178.084 176.000 0.030 0.000 0.982 374 Q CA 1.672 57.489 55.803 0.024 0.000 0.850 374 Q CB -0.699 28.050 28.738 0.019 0.000 0.901 374 Q HN 0.558 nan 8.270 nan 0.000 0.422 375 Q N 0.321 120.149 119.800 0.046 0.000 2.167 375 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 375 Q C 1.940 178.000 176.000 0.100 0.000 0.970 375 Q CA 0.906 56.733 55.803 0.040 0.000 0.855 375 Q CB -0.163 28.581 28.738 0.011 0.000 0.911 375 Q HN 0.424 nan 8.270 nan 0.000 0.438 376 I N -0.348 120.288 120.570 0.110 0.000 2.226 376 I HA -0.269 3.900 4.170 -0.000 0.000 0.245 376 I C 1.885 178.027 176.117 0.042 0.000 1.100 376 I CA 0.968 62.310 61.300 0.070 0.000 1.374 376 I CB -0.260 37.716 38.000 -0.039 0.000 1.057 376 I HN 0.224 nan 8.210 nan 0.000 0.413 377 I N 0.893 121.479 120.570 0.026 0.000 2.208 377 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 377 I C 2.324 178.508 176.117 0.112 0.000 1.097 377 I CA 1.563 62.917 61.300 0.089 0.000 1.363 377 I CB -0.352 37.697 38.000 0.082 0.000 1.051 377 I HN 0.182 nan 8.210 nan 0.000 0.413 378 K N 0.521 120.965 120.400 0.074 0.000 2.288 378 K HA -0.022 4.298 4.320 -0.000 0.000 0.201 378 K C 1.912 178.557 176.600 0.075 0.000 1.048 378 K CA 0.941 57.262 56.287 0.057 0.000 0.956 378 K CB -0.101 32.410 32.500 0.017 0.000 0.746 378 K HN 0.350 nan 8.250 nan 0.000 0.461 379 L N 1.788 123.079 121.223 0.113 0.000 2.465 379 L HA -0.074 4.266 4.340 -0.000 0.000 0.224 379 L C 0.699 177.665 176.870 0.160 0.000 1.145 379 L CA 0.507 55.442 54.840 0.159 0.000 0.834 379 L CB -0.718 41.497 42.059 0.260 0.000 0.944 379 L HN 0.412 nan 8.230 nan 0.000 0.451 380 E N -0.895 119.405 120.200 0.166 0.000 2.389 380 E HA -0.182 4.168 4.350 -0.000 0.000 0.243 380 E C -2.218 174.505 176.600 0.205 0.000 1.154 380 E CA -0.147 56.361 56.400 0.180 0.000 0.723 380 E CB -2.139 27.624 29.700 0.104 0.000 1.261 380 E HN 0.300 nan 8.360 nan 0.000 0.390 381 P HA 0.126 nan 4.420 nan 0.000 0.274 381 P C 0.957 178.424 177.300 0.279 0.000 1.231 381 P CA -0.306 62.931 63.100 0.229 0.000 0.790 381 P CB 0.921 32.730 31.700 0.181 0.000 0.951 382 I N 1.179 121.868 120.570 0.199 0.000 2.406 382 I HA 0.002 4.172 4.170 -0.000 0.000 0.249 382 I C 0.796 177.044 176.117 0.218 0.000 1.122 382 I CA 1.059 62.461 61.300 0.170 0.000 1.431 382 I CB 0.138 38.199 38.000 0.103 0.000 1.087 382 I HN 0.292 nan 8.210 nan 0.000 0.424 383 R N 0.018 120.640 120.500 0.204 0.000 2.744 383 R HA 0.699 5.039 4.340 -0.000 0.000 0.279 383 R C -1.334 175.070 176.300 0.173 0.000 0.977 383 R CA -0.690 55.531 56.100 0.202 0.000 0.906 383 R CB 2.213 32.602 30.300 0.147 0.000 1.197 383 R HN 0.019 nan 8.270 nan 0.000 0.463 384 I N 1.848 122.531 120.570 0.188 0.000 2.499 384 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 384 I C -0.897 175.372 176.117 0.253 0.000 1.048 384 I CA -1.007 60.376 61.300 0.139 0.000 1.062 384 I CB 2.295 40.301 38.000 0.009 0.000 1.238 384 I HN 0.182 nan 8.210 nan 0.000 0.426 385 V N 6.368 126.392 119.914 0.184 0.000 2.384 385 V HA 0.325 4.445 4.120 -0.000 0.000 0.287 385 V C -1.144 175.067 176.094 0.196 0.000 1.020 385 V CA -0.643 61.796 62.300 0.232 0.000 0.850 385 V CB 1.668 33.610 31.823 0.199 0.000 0.987 385 V HN 0.455 nan 8.190 nan 0.000 0.436 386 Y N 5.369 125.752 120.300 0.140 0.000 2.328 386 Y HA 0.649 5.199 4.550 -0.000 0.000 0.333 386 Y C -0.382 175.537 175.900 0.033 0.000 0.958 386 Y CA -1.245 56.896 58.100 0.069 0.000 1.167 386 Y CB 1.736 40.298 38.460 0.169 0.000 1.151 386 Y HN 0.381 nan 8.280 nan 0.000 0.470 387 V N 5.283 125.354 119.914 0.262 0.000 2.439 387 V HA 0.600 4.720 4.120 -0.000 0.000 0.282 387 V C -0.162 176.073 176.094 0.235 0.000 1.039 387 V CA -0.452 61.948 62.300 0.167 0.000 0.913 387 V CB 1.311 33.148 31.823 0.023 0.000 0.983 387 V HN 0.774 nan 8.190 nan 0.000 0.460 388 S N 2.572 118.374 115.700 0.170 0.000 2.540 388 S HA 0.380 4.850 4.470 -0.000 0.000 0.275 388 S C 0.138 174.805 174.600 0.111 0.000 1.123 388 S CA -0.401 57.881 58.200 0.136 0.000 0.907 388 S CB 1.473 64.702 63.200 0.048 0.000 1.081 388 S HN 1.019 nan 8.310 nan 0.000 0.476 389 C N 2.811 122.179 119.300 0.113 0.000 2.760 389 C HA 0.624 5.084 4.460 -0.000 0.000 0.293 389 C C 0.131 175.192 174.990 0.118 0.000 1.383 389 C CA -0.708 58.412 59.018 0.169 0.000 1.771 389 C CB -1.970 25.901 27.740 0.218 0.000 2.353 389 C HN 0.653 nan 8.230 nan 0.000 0.578 390 N N 1.309 120.048 118.700 0.065 0.000 2.664 390 N HA 0.275 5.015 4.740 -0.000 0.000 0.268 390 N C -2.106 173.402 175.510 -0.004 0.000 1.222 390 N CA -1.271 51.801 53.050 0.037 0.000 0.805 390 N CB 1.929 40.437 38.487 0.035 0.000 1.399 390 N HN 0.068 nan 8.380 nan 0.000 0.547 391 P HA -0.002 nan 4.420 nan 0.000 0.223 391 P C 0.968 178.239 177.300 -0.048 0.000 1.151 391 P CA 0.584 63.651 63.100 -0.054 0.000 0.787 391 P CB 0.419 32.080 31.700 -0.065 0.000 0.788 392 A N -0.256 122.551 122.820 -0.023 0.000 1.930 392 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 392 A C 2.478 180.054 177.584 -0.014 0.000 1.175 392 A CA 2.165 54.196 52.037 -0.010 0.000 0.627 392 A CB -1.847 17.162 19.000 0.015 0.000 0.815 392 A HN 0.210 nan 8.150 nan 0.000 0.443 393 T N -0.662 113.884 114.554 -0.013 0.000 2.857 393 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 393 T C 1.796 176.470 174.700 -0.042 0.000 1.048 393 T CA 1.360 63.455 62.100 -0.009 0.000 1.139 393 T CB -0.396 68.477 68.868 0.008 0.000 0.874 393 T HN 0.315 nan 8.240 nan 0.000 0.455 394 L N 1.408 122.557 121.223 -0.123 0.000 2.042 394 L HA 0.085 4.425 4.340 -0.000 0.000 0.210 394 L C 2.524 179.274 176.870 -0.199 0.000 1.076 394 L CA 2.194 56.836 54.840 -0.331 0.000 0.749 394 L CB -0.994 40.843 42.059 -0.369 0.000 0.893 394 L HN 0.240 nan 8.230 nan 0.000 0.432 395 A N -0.404 122.358 122.820 -0.097 0.000 1.898 395 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 395 A C 2.550 180.124 177.584 -0.017 0.000 1.181 395 A CA 1.573 53.586 52.037 -0.039 0.000 0.620 395 A CB -0.671 18.316 19.000 -0.022 0.000 0.819 395 A HN 0.515 nan 8.150 nan 0.000 0.442 396 R N -0.229 120.262 120.500 -0.015 0.000 2.083 396 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 396 R C 1.186 177.492 176.300 0.010 0.000 1.137 396 R CA 2.030 58.132 56.100 0.004 0.000 0.951 396 R CB -0.425 29.881 30.300 0.010 0.000 0.851 396 R HN 0.424 nan 8.270 nan 0.000 0.434 397 D N -0.182 120.226 120.400 0.014 0.000 2.224 397 D HA -0.048 4.592 4.640 -0.000 0.000 0.205 397 D C 1.881 178.179 176.300 -0.004 0.000 0.965 397 D CA 0.968 54.995 54.000 0.045 0.000 0.852 397 D CB -0.058 40.849 40.800 0.180 0.000 0.947 397 D HN 0.154 nan 8.370 nan 0.000 0.494 398 S N 0.562 116.245 115.700 -0.028 0.000 2.402 398 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 398 S C 1.722 176.323 174.600 0.001 0.000 1.021 398 S CA 0.657 58.843 58.200 -0.024 0.000 0.974 398 S CB 0.061 63.334 63.200 0.123 0.000 0.800 398 S HN 0.176 nan 8.310 nan 0.000 0.484 399 E N 1.790 122.002 120.200 0.021 0.000 2.097 399 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 399 E C 2.271 178.884 176.600 0.022 0.000 1.000 399 E CA 1.311 57.731 56.400 0.033 0.000 0.804 399 E CB -0.581 29.135 29.700 0.027 0.000 0.740 399 E HN 0.497 nan 8.360 nan 0.000 0.454 400 A N 0.692 123.511 122.820 -0.000 0.000 1.972 400 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 400 A C 2.387 179.966 177.584 -0.008 0.000 1.169 400 A CA 0.979 53.016 52.037 -0.000 0.000 0.635 400 A CB -0.541 18.455 19.000 -0.006 0.000 0.810 400 A HN 0.205 nan 8.150 nan 0.000 0.446 401 L N -0.755 120.419 121.223 -0.081 0.000 2.093 401 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 401 L C 2.457 179.399 176.870 0.119 0.000 1.085 401 L CA 0.867 55.645 54.840 -0.104 0.000 0.755 401 L CB -0.540 41.210 42.059 -0.515 0.000 0.904 401 L HN 0.370 nan 8.230 nan 0.000 0.435 402 L N -0.400 120.886 121.223 0.106 0.000 2.093 402 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 402 L C 2.557 179.491 176.870 0.106 0.000 1.085 402 L CA 0.940 55.870 54.840 0.149 0.000 0.755 402 L CB -0.483 41.659 42.059 0.138 0.000 0.904 402 L HN 0.222 nan 8.230 nan 0.000 0.435 403 K N 0.389 120.836 120.400 0.078 0.000 2.288 403 K HA 0.024 4.344 4.320 -0.000 0.000 0.201 403 K C 1.822 178.462 176.600 0.067 0.000 1.048 403 K CA 1.075 57.398 56.287 0.059 0.000 0.956 403 K CB -0.083 32.442 32.500 0.043 0.000 0.746 403 K HN 0.220 nan 8.250 nan 0.000 0.461 404 A N 0.437 123.318 122.820 0.102 0.000 2.251 404 A HA 0.287 4.607 4.320 -0.000 0.000 0.209 404 A C 1.200 178.839 177.584 0.091 0.000 1.187 404 A CA 0.796 52.905 52.037 0.121 0.000 0.823 404 A CB -0.161 18.953 19.000 0.190 0.000 0.846 404 A HN 0.344 nan 8.150 nan 0.000 0.486 405 G N -2.139 106.707 108.800 0.076 0.000 2.130 405 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 405 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 405 G C -0.144 174.695 174.900 -0.101 0.000 0.999 405 G CA 0.064 45.154 45.100 -0.017 0.000 0.686 405 G HN 0.396 nan 8.290 nan 0.000 0.515 406 Y N -0.065 120.270 120.300 0.060 0.000 2.354 406 Y HA 0.688 5.238 4.550 -0.000 0.000 0.322 406 Y C 1.017 177.012 175.900 0.159 0.000 1.253 406 Y CA 0.358 58.524 58.100 0.110 0.000 1.272 406 Y CB 1.915 40.439 38.460 0.106 0.000 1.255 406 Y HN 0.092 nan 8.280 nan 0.000 0.500 407 T N 2.872 117.620 114.554 0.324 0.000 2.900 407 T HA 0.504 4.854 4.350 -0.000 0.000 0.295 407 T C -0.776 174.032 174.700 0.179 0.000 1.044 407 T CA -0.707 61.526 62.100 0.222 0.000 0.995 407 T CB 0.581 69.512 68.868 0.105 0.000 1.072 407 T HN 0.422 nan 8.240 nan 0.000 0.473 408 I N 3.741 124.356 120.570 0.076 0.000 2.379 408 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 408 I C 1.221 177.235 176.117 -0.172 0.000 1.063 408 I CA -0.216 60.952 61.300 -0.220 0.000 1.351 408 I CB 1.253 39.126 38.000 -0.211 0.000 1.410 408 I HN 0.826 nan 8.210 nan 0.000 0.505 409 A N 7.649 130.293 122.820 -0.293 0.000 1.997 409 A HA 0.271 4.591 4.320 -0.000 0.000 0.212 409 A C 0.949 178.281 177.584 -0.420 0.000 1.178 409 A CA 0.578 52.462 52.037 -0.256 0.000 0.698 409 A CB 0.338 19.203 19.000 -0.225 0.000 0.842 409 A HN 0.617 nan 8.150 nan 0.000 0.458 410 R N -1.618 118.480 120.500 -0.670 0.000 2.707 410 R HA 0.620 4.959 4.340 -0.000 0.000 0.272 410 R C -2.231 173.646 176.300 -0.705 0.000 1.011 410 R CA -0.633 55.009 56.100 -0.763 0.000 0.893 410 R CB 1.552 31.063 30.300 -1.315 0.000 1.233 410 R HN 0.235 nan 8.270 nan 0.000 0.464 411 L N 0.657 121.640 121.223 -0.401 0.000 2.516 411 L HA 0.704 5.044 4.340 -0.000 0.000 0.267 411 L C -1.580 175.324 176.870 0.057 0.000 0.957 411 L CA -0.218 54.508 54.840 -0.191 0.000 0.860 411 L CB 1.990 43.845 42.059 -0.341 0.000 1.265 411 L HN 0.844 nan 8.230 nan 0.000 0.403 412 A N 5.884 128.834 122.820 0.218 0.000 2.342 412 A HA 0.783 5.103 4.320 -0.000 0.000 0.323 412 A C -0.663 176.950 177.584 0.047 0.000 1.125 412 A CA -0.598 51.533 52.037 0.156 0.000 0.785 412 A CB 1.343 20.447 19.000 0.173 0.000 1.221 412 A HN 0.733 nan 8.150 nan 0.000 0.463 413 M N 3.079 122.683 119.600 0.007 0.000 2.188 413 M HA 0.493 4.973 4.480 -0.000 0.000 0.357 413 M C -1.898 174.373 176.300 -0.049 0.000 1.204 413 M CA -0.658 54.628 55.300 -0.023 0.000 1.095 413 M CB 0.218 32.798 32.600 -0.033 0.000 1.604 413 M HN 0.567 nan 8.290 nan 0.000 0.464 414 L N 4.637 125.822 121.223 -0.065 0.000 2.325 414 L HA 0.310 4.650 4.340 -0.000 0.000 0.281 414 L C -0.089 176.684 176.870 -0.161 0.000 1.004 414 L CA -0.459 54.311 54.840 -0.116 0.000 0.823 414 L CB 1.338 43.325 42.059 -0.121 0.000 1.236 414 L HN 0.528 nan 8.230 nan 0.000 0.415 415 D N 2.867 123.144 120.400 -0.205 0.000 2.619 415 D HA 0.086 4.726 4.640 -0.000 0.000 0.224 415 D C 0.881 176.920 176.300 -0.435 0.000 1.133 415 D CA -0.014 53.829 54.000 -0.263 0.000 1.017 415 D CB 0.727 41.382 40.800 -0.241 0.000 1.077 415 D HN 0.461 nan 8.370 nan 0.000 0.503 416 M N 1.363 120.627 119.600 -0.560 0.000 2.349 416 M HA 0.156 4.636 4.480 -0.000 0.000 0.266 416 M C -0.241 175.377 176.300 -1.136 0.000 1.076 416 M CA 1.072 55.815 55.300 -0.929 0.000 1.126 416 M CB 0.155 31.971 32.600 -1.305 0.000 1.392 416 M HN 0.076 nan 8.290 nan 0.000 0.440 417 F N 0.000 119.733 119.950 -0.363 0.000 2.597 417 F HA 0.484 5.010 4.527 -0.000 0.000 0.336 417 F C -2.353 173.206 175.800 -0.401 0.000 1.432 417 F CA -3.029 54.777 58.000 -0.323 0.000 1.120 417 F CB -0.717 38.246 39.000 -0.061 0.000 1.253 417 F HN -0.113 nan 8.300 nan 0.000 0.546 418 P HA -0.055 nan 4.420 nan 0.000 0.264 418 P C 0.171 177.150 177.300 -0.535 0.000 1.179 418 P CA 1.141 63.795 63.100 -0.744 0.000 0.763 418 P CB 0.190 31.217 31.700 -1.122 0.000 0.806 419 H N -1.921 117.096 119.070 -0.088 0.000 3.641 419 H HA -0.160 4.396 4.556 -0.000 0.000 0.193 419 H C 0.646 176.041 175.328 0.112 0.000 1.013 419 H CA 1.458 57.497 56.048 -0.015 0.000 1.212 419 H CB -2.680 27.041 29.762 -0.068 0.000 1.089 419 H HN 0.558 nan 8.280 nan 0.000 0.339 420 T N -2.260 112.406 114.554 0.187 0.000 2.862 420 T HA 0.577 4.927 4.350 -0.000 0.000 0.276 420 T C 1.510 176.305 174.700 0.159 0.000 0.974 420 T CA -0.144 62.079 62.100 0.205 0.000 0.966 420 T CB 2.068 71.065 68.868 0.214 0.000 1.072 420 T HN 0.355 nan 8.240 nan 0.000 0.538 421 G N 0.067 108.957 108.800 0.150 0.000 3.562 421 G HA2 0.250 4.210 3.960 -0.000 0.000 0.279 421 G HA3 0.250 4.210 3.960 -0.000 0.000 0.279 421 G C 0.092 174.930 174.900 -0.103 0.000 1.314 421 G CA -0.337 44.795 45.100 0.053 0.000 1.189 421 G HN 0.773 nan 8.290 nan 0.000 0.562 422 H N -0.343 118.717 119.070 -0.018 0.000 2.622 422 H HA 0.518 5.074 4.556 -0.000 0.000 0.363 422 H C -0.791 174.577 175.328 0.066 0.000 1.151 422 H CA -0.501 55.502 56.048 -0.075 0.000 1.184 422 H CB 2.614 32.144 29.762 -0.386 0.000 1.643 422 H HN 0.219 nan 8.280 nan 0.000 0.531 423 L N -0.190 121.143 121.223 0.183 0.000 2.401 423 L HA 0.589 4.929 4.340 -0.000 0.000 0.266 423 L C -0.395 176.626 176.870 0.252 0.000 0.991 423 L CA -0.962 53.996 54.840 0.197 0.000 0.818 423 L CB 2.186 44.259 42.059 0.023 0.000 1.321 423 L HN 0.422 nan 8.230 nan 0.000 0.413 424 E N 1.377 121.708 120.200 0.218 0.000 2.283 424 E HA 0.808 5.158 4.350 -0.000 0.000 0.271 424 E C -0.845 175.781 176.600 0.043 0.000 1.031 424 E CA -0.056 56.426 56.400 0.136 0.000 0.868 424 E CB 1.344 31.063 29.700 0.031 0.000 1.094 424 E HN 0.935 nan 8.360 nan 0.000 0.401 425 S N 2.938 118.664 115.700 0.044 0.000 2.638 425 S HA 0.667 5.137 4.470 -0.000 0.000 0.274 425 S C -0.895 173.733 174.600 0.047 0.000 1.157 425 S CA -1.090 57.123 58.200 0.022 0.000 0.826 425 S CB 1.156 64.355 63.200 -0.002 0.000 1.139 425 S HN 0.581 nan 8.310 nan 0.000 0.474 426 M N 1.969 121.611 119.600 0.071 0.000 2.371 426 M HA 0.678 5.158 4.480 -0.000 0.000 0.287 426 M C -2.235 174.220 176.300 0.258 0.000 1.149 426 M CA -0.679 54.706 55.300 0.143 0.000 0.929 426 M CB 2.033 34.659 32.600 0.042 0.000 1.683 426 M HN 0.801 nan 8.290 nan 0.000 0.470 427 V N 5.610 125.648 119.914 0.206 0.000 2.656 427 V HA 0.680 4.800 4.120 -0.000 0.000 0.307 427 V C -1.876 174.177 176.094 -0.067 0.000 1.051 427 V CA -0.757 61.512 62.300 -0.052 0.000 0.893 427 V CB 2.174 33.792 31.823 -0.342 0.000 0.999 427 V HN 0.847 nan 8.190 nan 0.000 0.426 428 L N 7.193 128.186 121.223 -0.384 0.000 2.272 428 L HA 0.686 5.026 4.340 -0.000 0.000 0.289 428 L C -1.270 175.350 176.870 -0.416 0.000 1.032 428 L CA 0.289 54.953 54.840 -0.293 0.000 0.810 428 L CB 0.977 42.716 42.059 -0.534 0.000 1.205 428 L HN 0.566 nan 8.230 nan 0.000 0.422 429 F N 3.416 123.364 119.950 -0.005 0.000 2.458 429 F HA 0.691 5.217 4.527 -0.000 0.000 0.336 429 F C 0.395 176.296 175.800 0.168 0.000 1.114 429 F CA -0.342 57.702 58.000 0.073 0.000 0.987 429 F CB 2.036 41.079 39.000 0.071 0.000 1.130 429 F HN 0.579 nan 8.300 nan 0.000 0.458 430 S N 3.078 118.981 115.700 0.337 0.000 2.570 430 S HA 0.732 5.202 4.470 -0.000 0.000 0.286 430 S C -0.894 173.801 174.600 0.159 0.000 1.099 430 S CA -1.131 57.226 58.200 0.262 0.000 0.913 430 S CB 2.588 65.849 63.200 0.103 0.000 1.085 430 S HN 0.715 nan 8.310 nan 0.000 0.480 431 R N 0.416 120.888 120.500 -0.047 0.000 2.828 431 R HA 0.700 5.040 4.340 -0.000 0.000 0.264 431 R C 0.232 176.434 176.300 -0.163 0.000 1.022 431 R CA -0.764 55.137 56.100 -0.331 0.000 1.021 431 R CB 1.547 31.343 30.300 -0.840 0.000 1.163 431 R HN 0.782 nan 8.270 nan 0.000 0.494 432 V N 0.000 119.819 119.914 -0.159 0.000 2.409 432 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 432 V CA 0.000 62.249 62.300 -0.086 0.000 1.235 432 V CB 0.000 31.781 31.823 -0.070 0.000 1.184 432 V HN 0.000 nan 8.190 nan 0.000 0.556