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 2c6s_1_H DATA FIRST_RESID 49 DATA SEQUENCE TGGRNSIRYS ELAPLFDTTR VYLVDNKSTD VASLNYQNDH SNFLTTVIQN DATA SEQUENCE NDYSPGEAST QTINLDDRSH WGGDLKTILH TNMPNVNEFM FTNKFKARVM DATA SEQUENCE VSRSLTKDKQ VELKYEWVEF TLPEGNYSET MTIDLMNNAI VEHYLKVGRQ DATA SEQUENCE NGVLESDIGV KFDTRNFRLG FDPVTGLVMP GVYTNEAFHP DIILLPGCGV DATA SEQUENCE DFTHSRLSNL LGIRKRQPFQ EGFRITYDDL EGGNIPALLD VDAYQASLXX DATA SEQUENCE XXXXXXXXXX XXXLKPVIKP LTEDSKKRSY NLISNDSTFT QYRSWYLAYN DATA SEQUENCE YGDPQTGIRS WTLLCTPDVT CGSEQVYWSL PDMMQDPVTF RSTSQISNFP DATA SEQUENCE VVGAELLPVH SKSFYNDQAV YSQLIRQFTS LTHVFNRFPE NQILARPPAP DATA SEQUENCE TITTVSENVP ALTDHGTLPL RNSIGGVQRV TITDARRRTC PYVYKALGIV DATA SEQUENCE SPRVLSSRT 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 49 T HA 0.000 nan 4.350 nan 0.000 0.228 49 T C 0.000 174.653 174.700 -0.079 0.000 1.109 49 T CA 0.000 62.040 62.100 -0.100 0.000 1.349 49 T CB 0.000 68.828 68.868 -0.067 0.000 0.612 50 G N 1.291 110.057 108.800 -0.056 0.000 2.559 50 G HA2 0.323 4.282 3.960 -0.001 0.000 0.216 50 G HA3 0.323 4.282 3.960 -0.001 0.000 0.216 50 G C 1.059 175.922 174.900 -0.063 0.000 1.126 50 G CA 1.107 46.181 45.100 -0.043 0.000 0.778 50 G HN 0.686 nan 8.290 nan 0.000 0.543 51 G N 0.249 109.003 108.800 -0.077 0.000 2.961 51 G HA2 0.183 4.142 3.960 -0.001 0.000 0.150 51 G HA3 0.183 4.142 3.960 -0.001 0.000 0.150 51 G C 0.243 175.081 174.900 -0.102 0.000 1.864 51 G CA -0.481 44.567 45.100 -0.087 0.000 0.992 51 G HN 0.169 nan 8.290 nan 0.000 0.458 52 R N 1.729 122.170 120.500 -0.097 0.000 2.215 52 R HA 0.215 4.554 4.340 -0.001 0.000 0.337 52 R C -0.525 175.746 176.300 -0.048 0.000 1.010 52 R CA -0.291 55.764 56.100 -0.076 0.000 0.871 52 R CB 0.622 30.889 30.300 -0.055 0.000 1.134 52 R HN 0.651 nan 8.270 nan 0.000 0.477 53 N N -0.869 117.844 118.700 0.021 0.000 2.351 53 N HA 0.036 4.775 4.740 -0.001 0.000 0.254 53 N C -0.633 175.144 175.510 0.444 0.000 1.241 53 N CA -0.444 52.713 53.050 0.178 0.000 0.883 53 N CB 0.730 39.284 38.487 0.111 0.000 1.202 53 N HN 0.014 nan 8.380 nan 0.000 0.512 54 S N 0.734 116.619 115.700 0.310 0.000 2.548 54 S HA 0.371 4.840 4.470 -0.001 0.000 0.277 54 S C 0.105 174.838 174.600 0.221 0.000 1.315 54 S CA -0.306 58.049 58.200 0.259 0.000 1.050 54 S CB 0.454 63.733 63.200 0.131 0.000 0.918 54 S HN 0.282 nan 8.310 nan 0.000 0.497 55 I N 3.872 124.525 120.570 0.138 0.000 2.464 55 I HA 0.334 4.503 4.170 -0.001 0.000 0.277 55 I C 0.000 176.128 176.117 0.017 0.000 1.040 55 I CA -0.289 60.987 61.300 -0.041 0.000 1.153 55 I CB 0.852 38.739 38.000 -0.188 0.000 1.274 55 I HN 0.328 nan 8.210 nan 0.000 0.469 56 R N 3.822 124.336 120.500 0.023 0.000 2.346 56 R HA 0.416 4.755 4.340 -0.001 0.000 0.311 56 R C -0.493 175.853 176.300 0.075 0.000 0.983 56 R CA -0.580 55.554 56.100 0.056 0.000 0.880 56 R CB 1.995 32.320 30.300 0.041 0.000 1.100 56 R HN 0.404 nan 8.270 nan 0.000 0.453 57 Y N 1.319 121.594 120.300 -0.042 0.000 3.052 57 Y HA 0.219 4.768 4.550 -0.002 0.000 0.468 57 Y C 1.346 177.215 175.900 -0.053 0.000 1.283 57 Y CA -0.261 57.803 58.100 -0.061 0.000 1.807 57 Y CB -0.261 38.164 38.460 -0.058 0.000 1.580 57 Y HN 0.556 nan 8.280 nan 0.000 0.782 58 S N -0.337 114.744 115.700 -1.031 0.000 2.646 58 S HA 0.084 4.553 4.470 -0.001 0.000 0.192 58 S C 0.669 175.061 174.600 -0.346 0.000 1.218 58 S CA 0.198 57.980 58.200 -0.696 0.000 1.545 58 S CB -0.504 62.134 63.200 -0.937 0.000 0.737 58 S HN 0.557 nan 8.310 nan 0.000 0.467 59 E N 0.760 120.806 120.200 -0.255 0.000 2.301 59 E HA 0.126 4.476 4.350 -0.001 0.000 0.195 59 E C 0.249 176.811 176.600 -0.064 0.000 1.171 59 E CA -0.217 56.119 56.400 -0.106 0.000 1.142 59 E CB -0.050 29.622 29.700 -0.046 0.000 1.218 59 E HN 0.290 nan 8.360 nan 0.000 0.448 60 L N 0.104 121.275 121.223 -0.086 0.000 2.543 60 L HA 0.397 4.736 4.340 -0.001 0.000 0.181 60 L C -0.121 176.783 176.870 0.056 0.000 1.437 60 L CA 0.207 55.077 54.840 0.050 0.000 3.059 60 L CB 0.175 42.371 42.059 0.228 0.000 2.916 60 L HN -0.045 nan 8.230 nan 0.000 1.037 61 A N -0.885 121.988 122.820 0.088 0.000 2.422 61 A HA 0.727 5.046 4.320 -0.001 0.000 0.302 61 A C -2.612 175.015 177.584 0.072 0.000 1.041 61 A CA -1.190 50.885 52.037 0.064 0.000 0.708 61 A CB 0.717 19.742 19.000 0.042 0.000 1.257 61 A HN 0.308 nan 8.150 nan 0.000 0.414 62 P HA 0.277 nan 4.420 nan 0.000 0.276 62 P C -0.933 176.384 177.300 0.027 0.000 1.264 62 P CA 0.150 63.337 63.100 0.145 0.000 0.769 62 P CB 0.461 32.331 31.700 0.283 0.000 0.840 63 L N 5.776 127.007 121.223 0.014 0.000 2.335 63 L HA 0.360 4.700 4.340 -0.001 0.000 0.268 63 L C -0.347 176.528 176.870 0.009 0.000 1.037 63 L CA -0.728 54.047 54.840 -0.108 0.000 0.895 63 L CB -0.094 41.927 42.059 -0.064 0.000 1.266 63 L HN 0.358 nan 8.230 nan 0.000 0.439 64 F N 1.027 121.002 119.950 0.041 0.000 2.410 64 F HA 0.565 5.091 4.527 -0.001 0.000 0.348 64 F C 0.164 176.013 175.800 0.083 0.000 1.106 64 F CA -0.895 57.149 58.000 0.074 0.000 1.163 64 F CB 0.464 39.509 39.000 0.075 0.000 1.129 64 F HN 0.332 nan 8.300 nan 0.000 0.516 65 D N 1.105 121.708 120.400 0.338 0.000 9.781 65 D HA -0.162 4.477 4.640 -0.001 0.000 0.283 65 D C -0.086 176.320 176.300 0.176 0.000 2.757 65 D CA 0.788 54.948 54.000 0.266 0.000 2.589 65 D CB -0.488 40.422 40.800 0.183 0.000 1.049 65 D HN 1.157 nan 8.370 nan 0.000 0.767 66 T N 0.568 115.257 114.554 0.224 0.000 0.551 66 T HA -0.053 4.296 4.350 -0.001 0.000 0.773 66 T C -0.092 174.608 174.700 0.000 0.000 0.992 66 T CA 2.056 64.223 62.100 0.111 0.000 4.071 66 T CB -0.117 68.812 68.868 0.101 0.000 2.300 66 T HN 0.830 nan 8.240 nan 0.000 0.398 67 T N 4.764 119.278 114.554 -0.067 0.000 2.647 67 T HA 0.698 5.047 4.350 -0.001 0.000 0.295 67 T C -1.541 173.052 174.700 -0.178 0.000 1.126 67 T CA -1.033 61.000 62.100 -0.110 0.000 1.040 67 T CB 1.179 69.976 68.868 -0.119 0.000 1.472 67 T HN 0.665 nan 8.240 nan 0.000 0.500 68 R N 1.354 121.705 120.500 -0.249 0.000 2.445 68 R HA 0.648 4.987 4.340 -0.001 0.000 0.308 68 R C -0.747 175.216 176.300 -0.561 0.000 0.961 68 R CA -0.530 55.291 56.100 -0.466 0.000 0.862 68 R CB 1.338 31.244 30.300 -0.656 0.000 1.144 68 R HN 0.600 nan 8.270 nan 0.000 0.447 69 V N 1.248 120.839 119.914 -0.539 0.000 2.581 69 V HA 0.570 4.689 4.120 -0.001 0.000 0.303 69 V C -0.787 175.062 176.094 -0.409 0.000 1.041 69 V CA -1.073 60.999 62.300 -0.380 0.000 0.907 69 V CB 1.457 33.148 31.823 -0.219 0.000 0.994 69 V HN 0.560 nan 8.190 nan 0.000 0.442 70 Y N 3.141 123.407 120.300 -0.057 0.000 2.331 70 Y HA 0.646 5.195 4.550 -0.001 0.000 0.334 70 Y C -0.130 175.768 175.900 -0.004 0.000 0.960 70 Y CA -0.808 57.275 58.100 -0.028 0.000 1.130 70 Y CB 1.922 40.370 38.460 -0.020 0.000 1.164 70 Y HN 0.508 nan 8.280 nan 0.000 0.458 71 L N 5.878 127.204 121.223 0.173 0.000 2.288 71 L HA 0.523 4.862 4.340 -0.001 0.000 0.283 71 L C -0.653 176.360 176.870 0.239 0.000 1.072 71 L CA -0.865 54.065 54.840 0.150 0.000 0.862 71 L CB -0.091 42.010 42.059 0.069 0.000 1.245 71 L HN 0.371 nan 8.230 nan 0.000 0.432 72 V N -1.490 118.577 119.914 0.256 0.000 2.555 72 V HA 0.422 4.541 4.120 -0.001 0.000 0.302 72 V C 0.246 176.523 176.094 0.304 0.000 1.038 72 V CA -0.760 61.681 62.300 0.235 0.000 0.887 72 V CB 1.762 33.650 31.823 0.107 0.000 0.991 72 V HN 0.604 nan 8.190 nan 0.000 0.434 73 D N 2.002 122.516 120.400 0.190 0.000 2.213 73 D HA -0.110 4.529 4.640 -0.001 0.000 0.205 73 D C 1.303 177.612 176.300 0.015 0.000 0.961 73 D CA 1.109 55.076 54.000 -0.055 0.000 0.853 73 D CB -0.379 40.153 40.800 -0.446 0.000 0.967 73 D HN 0.667 nan 8.370 nan 0.000 0.496 74 N N 0.120 118.838 118.700 0.031 0.000 2.571 74 N HA -0.054 4.685 4.740 -0.001 0.000 0.189 74 N C 0.164 175.694 175.510 0.034 0.000 1.154 74 N CA 0.013 53.081 53.050 0.030 0.000 0.907 74 N CB 0.154 38.646 38.487 0.007 0.000 0.977 74 N HN 0.007 nan 8.380 nan 0.000 0.449 75 K N 1.448 121.877 120.400 0.048 0.000 2.402 75 K HA 0.007 4.327 4.320 -0.001 0.000 0.279 75 K C 0.647 177.272 176.600 0.042 0.000 1.082 75 K CA 0.076 56.390 56.287 0.044 0.000 1.080 75 K CB 0.680 33.218 32.500 0.063 0.000 0.899 75 K HN 0.084 nan 8.250 nan 0.000 0.469 76 S N 2.010 117.728 115.700 0.030 0.000 2.387 76 S HA -0.163 4.306 4.470 -0.001 0.000 0.230 76 S C 1.747 176.368 174.600 0.036 0.000 1.035 76 S CA 2.142 60.360 58.200 0.030 0.000 1.014 76 S CB -0.051 63.161 63.200 0.020 0.000 0.836 76 S HN 0.752 nan 8.310 nan 0.000 0.466 77 T N 1.831 116.407 114.554 0.038 0.000 2.737 77 T HA -0.138 4.211 4.350 -0.001 0.000 0.265 77 T C 1.597 176.325 174.700 0.047 0.000 1.038 77 T CA 1.442 63.567 62.100 0.041 0.000 1.144 77 T CB -0.691 68.204 68.868 0.044 0.000 0.866 77 T HN 0.639 nan 8.240 nan 0.000 0.434 78 D N 1.671 122.105 120.400 0.057 0.000 2.234 78 D HA -0.031 4.608 4.640 -0.001 0.000 0.205 78 D C 2.017 178.360 176.300 0.072 0.000 0.962 78 D CA 0.290 54.331 54.000 0.067 0.000 0.855 78 D CB -0.945 39.906 40.800 0.085 0.000 0.951 78 D HN 0.318 nan 8.370 nan 0.000 0.500 79 V N 0.789 120.743 119.914 0.066 0.000 2.453 79 V HA -0.253 3.866 4.120 -0.001 0.000 0.252 79 V C 2.646 178.797 176.094 0.095 0.000 1.068 79 V CA 1.967 64.306 62.300 0.065 0.000 1.070 79 V CB -0.864 30.989 31.823 0.050 0.000 0.664 79 V HN 0.468 nan 8.190 nan 0.000 0.461 80 A N -1.409 121.462 122.820 0.086 0.000 1.861 80 A HA -0.141 4.179 4.320 -0.001 0.000 0.212 80 A C 2.514 180.125 177.584 0.045 0.000 1.199 80 A CA 1.754 53.845 52.037 0.091 0.000 0.613 80 A CB -0.777 18.253 19.000 0.049 0.000 0.846 80 A HN 0.433 nan 8.150 nan 0.000 0.446 81 S N -1.041 114.675 115.700 0.028 0.000 2.368 81 S HA 0.068 4.537 4.470 -0.001 0.000 0.224 81 S C 0.597 175.209 174.600 0.022 0.000 1.029 81 S CA 1.320 59.522 58.200 0.003 0.000 0.988 81 S CB -0.548 62.662 63.200 0.017 0.000 0.838 81 S HN 0.474 nan 8.310 nan 0.000 0.462 82 L N -1.533 119.728 121.223 0.063 0.000 2.359 82 L HA 0.663 5.002 4.340 -0.001 0.000 0.256 82 L C 0.122 177.060 176.870 0.113 0.000 1.026 82 L CA -1.017 53.875 54.840 0.086 0.000 0.828 82 L CB 1.075 43.183 42.059 0.082 0.000 1.406 82 L HN -0.059 nan 8.230 nan 0.000 0.413 83 N N -1.056 117.716 118.700 0.120 0.000 2.965 83 N HA -0.319 4.420 4.740 -0.001 0.000 0.232 83 N C 0.722 176.284 175.510 0.087 0.000 0.913 83 N CA 1.691 54.798 53.050 0.095 0.000 0.981 83 N CB -1.497 37.029 38.487 0.065 0.000 1.077 83 N HN 0.978 nan 8.380 nan 0.000 0.589 84 Y N 1.853 122.144 120.300 -0.014 0.000 2.062 84 Y HA -0.283 4.266 4.550 -0.001 0.000 0.276 84 Y C 2.069 177.945 175.900 -0.041 0.000 1.189 84 Y CA 2.869 60.954 58.100 -0.025 0.000 1.130 84 Y CB -0.071 38.382 38.460 -0.012 0.000 0.959 84 Y HN 0.474 nan 8.280 nan 0.000 0.499 85 Q N 0.352 120.187 119.800 0.059 0.000 2.341 85 Q HA 0.307 4.646 4.340 -0.001 0.000 0.325 85 Q C -1.006 174.967 176.000 -0.044 0.000 0.920 85 Q CA -0.322 55.448 55.803 -0.055 0.000 1.065 85 Q CB -0.016 28.730 28.738 0.014 0.000 1.218 85 Q HN 0.327 nan 8.270 nan 0.000 0.434 86 N N 1.220 119.885 118.700 -0.057 0.000 2.405 86 N HA 0.198 4.937 4.740 -0.001 0.000 0.285 86 N C -1.178 174.246 175.510 -0.142 0.000 1.262 86 N CA -0.342 52.675 53.050 -0.054 0.000 0.773 86 N CB 1.980 40.484 38.487 0.028 0.000 1.490 86 N HN 0.272 nan 8.380 nan 0.000 0.486 87 D N -0.895 119.417 120.400 -0.147 0.000 2.509 87 D HA 0.164 4.803 4.640 -0.001 0.000 0.275 87 D C 0.331 176.452 176.300 -0.298 0.000 1.189 87 D CA 0.347 54.190 54.000 -0.262 0.000 1.098 87 D CB 0.102 40.774 40.800 -0.214 0.000 1.177 87 D HN 0.546 nan 8.370 nan 0.000 0.599 88 H N -2.169 116.820 119.070 -0.136 0.000 2.648 88 H HA 0.215 4.770 4.556 -0.001 0.000 0.265 88 H C 0.995 176.355 175.328 0.053 0.000 0.961 88 H CA 0.546 56.496 56.048 -0.163 0.000 1.185 88 H CB 0.587 30.271 29.762 -0.131 0.000 1.449 88 H HN 0.283 nan 8.280 nan 0.000 0.523 89 S N 0.337 116.114 115.700 0.128 0.000 2.582 89 S HA 0.060 4.529 4.470 -0.001 0.000 0.234 89 S C 0.087 174.745 174.600 0.097 0.000 0.961 89 S CA -0.381 57.867 58.200 0.079 0.000 0.953 89 S CB -0.215 62.956 63.200 -0.048 0.000 0.800 89 S HN 0.362 nan 8.310 nan 0.000 0.471 90 N N 0.404 119.247 118.700 0.238 0.000 3.127 90 N HA 0.389 5.128 4.740 -0.001 0.000 0.239 90 N C -1.106 174.623 175.510 0.364 0.000 1.200 90 N CA -0.607 52.565 53.050 0.203 0.000 0.924 90 N CB 0.516 39.032 38.487 0.049 0.000 1.583 90 N HN 0.376 nan 8.380 nan 0.000 0.645 91 F N 0.756 120.743 119.950 0.062 0.000 2.779 91 F HA 0.713 5.239 4.527 -0.001 0.000 0.316 91 F C -1.970 173.879 175.800 0.082 0.000 1.164 91 F CA -1.190 56.850 58.000 0.067 0.000 0.924 91 F CB 1.216 40.267 39.000 0.085 0.000 1.348 91 F HN 0.072 nan 8.300 nan 0.000 0.467 92 L N 1.415 122.856 121.223 0.363 0.000 2.346 92 L HA 0.734 5.073 4.340 -0.001 0.000 0.276 92 L C -0.610 176.425 176.870 0.275 0.000 1.006 92 L CA -0.535 54.419 54.840 0.190 0.000 0.817 92 L CB 2.331 44.471 42.059 0.135 0.000 1.272 92 L HN 0.774 nan 8.230 nan 0.000 0.421 93 T N -0.209 114.445 114.554 0.168 0.000 2.863 93 T HA 0.388 4.738 4.350 -0.001 0.000 0.285 93 T C -0.184 174.573 174.700 0.096 0.000 1.009 93 T CA -0.639 61.571 62.100 0.183 0.000 0.989 93 T CB 1.600 70.585 68.868 0.195 0.000 1.004 93 T HN 0.635 nan 8.240 nan 0.000 0.455 94 T N 0.477 115.084 114.554 0.088 0.000 2.727 94 T HA 0.297 4.646 4.350 -0.001 0.000 0.295 94 T C 1.018 175.739 174.700 0.035 0.000 0.915 94 T CA -0.675 61.455 62.100 0.050 0.000 1.066 94 T CB 0.096 68.993 68.868 0.049 0.000 0.891 94 T HN 0.295 nan 8.240 nan 0.000 0.516 95 V N 3.586 123.504 119.914 0.007 0.000 3.649 95 V HA 0.226 4.345 4.120 -0.001 0.000 0.275 95 V C 1.042 177.096 176.094 -0.067 0.000 1.281 95 V CA 0.112 62.405 62.300 -0.011 0.000 1.143 95 V CB -0.793 31.014 31.823 -0.028 0.000 0.892 95 V HN 0.870 nan 8.190 nan 0.000 0.441 96 I N 1.483 122.007 120.570 -0.078 0.000 2.260 96 I HA 0.138 4.307 4.170 -0.001 0.000 0.297 96 I C 0.537 176.606 176.117 -0.081 0.000 1.143 96 I CA 0.020 61.228 61.300 -0.153 0.000 1.271 96 I CB 0.803 38.731 38.000 -0.119 0.000 1.461 96 I HN 0.226 nan 8.210 nan 0.000 0.530 97 Q N 3.628 123.379 119.800 -0.082 0.000 2.404 97 Q HA 0.102 4.441 4.340 -0.001 0.000 0.272 97 Q C -0.015 175.978 176.000 -0.011 0.000 0.939 97 Q CA 0.063 55.851 55.803 -0.025 0.000 0.945 97 Q CB -0.454 28.282 28.738 -0.004 0.000 1.195 97 Q HN 0.391 nan 8.270 nan 0.000 0.415 98 N N 0.469 119.181 118.700 0.020 0.000 2.422 98 N HA 0.048 4.787 4.740 -0.001 0.000 0.266 98 N C 0.341 175.970 175.510 0.199 0.000 1.007 98 N CA -0.090 53.044 53.050 0.142 0.000 0.941 98 N CB 1.041 39.699 38.487 0.286 0.000 1.115 98 N HN 0.185 nan 8.380 nan 0.000 0.492 99 N N 2.922 121.707 118.700 0.142 0.000 2.104 99 N HA -0.161 4.579 4.740 -0.001 0.000 0.190 99 N C -0.042 175.524 175.510 0.093 0.000 1.024 99 N CA 1.583 54.691 53.050 0.096 0.000 0.853 99 N CB 0.130 38.651 38.487 0.058 0.000 1.008 99 N HN 0.509 nan 8.380 nan 0.000 0.424 100 D N -1.322 119.132 120.400 0.090 0.000 2.338 100 D HA 0.040 4.679 4.640 -0.001 0.000 0.239 100 D C -0.753 175.401 176.300 -0.244 0.000 1.095 100 D CA 0.534 54.479 54.000 -0.092 0.000 0.888 100 D CB -0.063 40.622 40.800 -0.192 0.000 0.899 100 D HN 0.407 nan 8.370 nan 0.000 0.525 101 Y N -0.433 119.892 120.300 0.042 0.000 2.485 101 Y HA 0.365 4.914 4.550 -0.001 0.000 0.345 101 Y C 0.565 176.484 175.900 0.033 0.000 0.998 101 Y CA -1.250 56.875 58.100 0.043 0.000 1.059 101 Y CB 1.556 40.056 38.460 0.066 0.000 1.234 101 Y HN -0.374 nan 8.280 nan 0.000 0.461 102 S N 4.267 120.088 115.700 0.201 0.000 2.498 102 S HA 0.050 4.519 4.470 -0.001 0.000 0.281 102 S C -1.724 172.946 174.600 0.117 0.000 1.265 102 S CA -0.904 57.366 58.200 0.117 0.000 1.071 102 S CB 0.501 63.753 63.200 0.086 0.000 0.894 102 S HN 0.452 nan 8.310 nan 0.000 0.491 103 P HA -0.004 nan 4.420 nan 0.000 0.228 103 P C 1.381 178.715 177.300 0.057 0.000 1.151 103 P CA 0.524 63.667 63.100 0.072 0.000 0.770 103 P CB 0.018 31.754 31.700 0.060 0.000 0.786 104 G N 1.297 110.128 108.800 0.052 0.000 2.425 104 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.213 104 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.213 104 G C 1.360 176.286 174.900 0.044 0.000 1.201 104 G CA 0.559 45.683 45.100 0.040 0.000 0.799 104 G HN 0.439 nan 8.290 nan 0.000 0.534 105 E N 0.803 121.039 120.200 0.061 0.000 2.515 105 E HA 0.290 4.639 4.350 -0.001 0.000 0.201 105 E C 2.166 178.807 176.600 0.068 0.000 1.071 105 E CA 0.786 57.229 56.400 0.071 0.000 0.880 105 E CB -0.070 29.689 29.700 0.098 0.000 0.828 105 E HN 0.326 nan 8.360 nan 0.000 0.540 106 A N 1.371 124.226 122.820 0.058 0.000 1.929 106 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 106 A C 2.393 179.975 177.584 -0.004 0.000 1.176 106 A CA 1.266 53.312 52.037 0.015 0.000 0.628 106 A CB -0.769 18.251 19.000 0.032 0.000 0.816 106 A HN 0.452 nan 8.150 nan 0.000 0.444 107 S N 0.396 116.103 115.700 0.011 0.000 2.392 107 S HA -0.245 4.224 4.470 -0.001 0.000 0.232 107 S C 1.933 176.530 174.600 -0.004 0.000 1.041 107 S CA 2.489 60.692 58.200 0.004 0.000 1.026 107 S CB -1.398 61.808 63.200 0.010 0.000 0.845 107 S HN 0.590 nan 8.310 nan 0.000 0.465 108 T N 1.789 116.343 114.554 -0.001 0.000 2.653 108 T HA -0.172 4.177 4.350 -0.001 0.000 0.268 108 T C 0.941 175.628 174.700 -0.022 0.000 1.035 108 T CA 1.587 63.683 62.100 -0.007 0.000 1.154 108 T CB -0.641 68.228 68.868 0.002 0.000 0.862 108 T HN 0.668 nan 8.240 nan 0.000 0.441 109 Q N 1.701 121.480 119.800 -0.035 0.000 2.354 109 Q HA 0.414 4.753 4.340 -0.001 0.000 0.244 109 Q C 0.210 176.206 176.000 -0.006 0.000 0.969 109 Q CA -0.201 55.577 55.803 -0.042 0.000 0.885 109 Q CB 0.657 29.347 28.738 -0.080 0.000 1.241 109 Q HN 0.502 nan 8.270 nan 0.000 0.461 110 T N -1.975 112.579 114.554 0.001 0.000 2.888 110 T HA 0.407 4.756 4.350 -0.001 0.000 0.284 110 T C 0.777 175.501 174.700 0.040 0.000 1.017 110 T CA -0.860 61.240 62.100 0.000 0.000 1.022 110 T CB 0.848 69.705 68.868 -0.019 0.000 1.013 110 T HN 0.443 nan 8.240 nan 0.000 0.465 111 I N 0.929 121.496 120.570 -0.004 0.000 2.286 111 I HA -0.048 4.121 4.170 -0.001 0.000 0.245 111 I C 0.262 176.351 176.117 -0.047 0.000 1.104 111 I CA 0.848 62.134 61.300 -0.023 0.000 1.397 111 I CB -0.962 36.979 38.000 -0.098 0.000 1.072 111 I HN 0.803 nan 8.210 nan 0.000 0.417 112 N N 1.814 120.470 118.700 -0.075 0.000 2.537 112 N HA -0.173 4.567 4.740 -0.001 0.000 0.286 112 N C -0.683 174.729 175.510 -0.163 0.000 1.245 112 N CA 0.466 53.464 53.050 -0.087 0.000 0.704 112 N CB -1.404 37.059 38.487 -0.039 0.000 0.910 112 N HN 0.197 nan 8.380 nan 0.000 0.542 113 L N 0.508 121.558 121.223 -0.288 0.000 2.417 113 L HA 0.213 4.552 4.340 -0.001 0.000 0.268 113 L C 1.282 178.069 176.870 -0.139 0.000 1.158 113 L CA -0.386 54.118 54.840 -0.561 0.000 0.819 113 L CB 0.420 41.804 42.059 -1.124 0.000 1.112 113 L HN 0.306 nan 8.230 nan 0.000 0.458 114 D N 1.690 122.229 120.400 0.232 0.000 2.493 114 D HA -0.061 4.578 4.640 -0.001 0.000 0.240 114 D C -0.256 176.265 176.300 0.368 0.000 1.142 114 D CA -0.028 54.197 54.000 0.375 0.000 0.872 114 D CB 0.906 41.956 40.800 0.418 0.000 1.173 114 D HN 0.530 nan 8.370 nan 0.000 0.467 115 D N 2.168 122.652 120.400 0.139 0.000 2.881 115 D HA 0.122 4.761 4.640 -0.001 0.000 0.240 115 D C 0.905 177.200 176.300 -0.010 0.000 1.249 115 D CA -0.190 53.843 54.000 0.055 0.000 0.839 115 D CB 0.307 41.127 40.800 0.032 0.000 1.042 115 D HN 0.216 nan 8.370 nan 0.000 0.475 116 R N -0.470 120.011 120.500 -0.032 0.000 2.412 116 R HA 0.246 4.586 4.340 -0.001 0.000 0.212 116 R C -0.253 175.935 176.300 -0.188 0.000 0.878 116 R CA 0.120 56.168 56.100 -0.086 0.000 1.022 116 R CB 0.798 31.065 30.300 -0.055 0.000 1.265 116 R HN 0.073 nan 8.270 nan 0.000 0.620 117 S N 0.201 115.730 115.700 -0.286 0.000 2.548 117 S HA 0.407 4.876 4.470 -0.001 0.000 0.286 117 S C -1.070 173.155 174.600 -0.625 0.000 1.098 117 S CA -0.922 57.010 58.200 -0.447 0.000 0.930 117 S CB 1.759 64.663 63.200 -0.494 0.000 1.070 117 S HN 0.123 nan 8.310 nan 0.000 0.480 118 H N 0.489 119.444 119.070 -0.191 0.000 2.767 118 H HA 0.156 4.711 4.556 -0.002 0.000 0.316 118 H C -0.928 174.306 175.328 -0.156 0.000 1.059 118 H CA 0.133 56.131 56.048 -0.082 0.000 1.461 118 H CB 0.368 30.108 29.762 -0.036 0.000 1.475 118 H HN 0.559 nan 8.280 nan 0.000 0.531 119 W N 1.430 122.729 121.300 -0.001 0.000 2.359 119 W HA 0.474 5.133 4.660 -0.001 0.000 0.344 119 W C 0.742 177.267 176.519 0.010 0.000 1.170 119 W CA -0.300 57.041 57.345 -0.007 0.000 1.296 119 W CB 1.311 30.754 29.460 -0.029 0.000 1.197 119 W HN 0.640 nan 8.180 nan 0.000 0.618 120 G N -0.400 108.558 108.800 0.264 0.000 2.714 120 G HA2 0.702 4.661 3.960 -0.001 0.000 0.292 120 G HA3 0.702 4.661 3.960 -0.001 0.000 0.292 120 G C -1.367 173.614 174.900 0.134 0.000 1.308 120 G CA -0.931 44.256 45.100 0.146 0.000 0.964 120 G HN 0.691 nan 8.290 nan 0.000 0.484 121 G N -0.378 108.455 108.800 0.054 0.000 2.719 121 G HA2 0.480 4.440 3.960 -0.001 0.000 0.298 121 G HA3 0.480 4.440 3.960 -0.001 0.000 0.298 121 G C -1.347 173.543 174.900 -0.016 0.000 1.433 121 G CA -0.476 44.632 45.100 0.013 0.000 1.034 121 G HN 0.422 nan 8.290 nan 0.000 0.517 122 D N 1.191 121.579 120.400 -0.021 0.000 2.371 122 D HA 0.183 4.822 4.640 -0.001 0.000 0.256 122 D C -0.640 175.625 176.300 -0.059 0.000 1.193 122 D CA 0.032 54.013 54.000 -0.032 0.000 0.881 122 D CB 1.598 42.382 40.800 -0.026 0.000 1.143 122 D HN 0.162 nan 8.370 nan 0.000 0.473 123 L N 4.196 125.382 121.223 -0.061 0.000 2.305 123 L HA 0.372 4.711 4.340 -0.001 0.000 0.284 123 L C -0.728 176.099 176.870 -0.072 0.000 1.013 123 L CA -0.345 54.433 54.840 -0.104 0.000 0.819 123 L CB 1.122 43.082 42.059 -0.166 0.000 1.227 123 L HN 0.162 nan 8.230 nan 0.000 0.417 124 K N 2.759 123.102 120.400 -0.094 0.000 2.259 124 K HA 0.789 5.108 4.320 -0.001 0.000 0.252 124 K C -0.935 175.586 176.600 -0.133 0.000 0.936 124 K CA -0.704 55.546 56.287 -0.062 0.000 0.810 124 K CB 2.053 34.532 32.500 -0.036 0.000 1.143 124 K HN 0.701 nan 8.250 nan 0.000 0.427 125 T N -0.959 113.525 114.554 -0.117 0.000 2.912 125 T HA 0.579 4.928 4.350 -0.001 0.000 0.299 125 T C -0.411 174.303 174.700 0.024 0.000 1.052 125 T CA -0.773 61.211 62.100 -0.193 0.000 0.996 125 T CB 0.819 69.278 68.868 -0.680 0.000 1.070 125 T HN 0.363 nan 8.240 nan 0.000 0.465 126 I N 2.886 123.516 120.570 0.101 0.000 2.405 126 I HA 0.425 4.594 4.170 -0.001 0.000 0.280 126 I C -0.941 175.330 176.117 0.257 0.000 1.027 126 I CA -0.721 60.668 61.300 0.147 0.000 1.161 126 I CB 1.310 39.360 38.000 0.084 0.000 1.300 126 I HN 0.533 nan 8.210 nan 0.000 0.463 127 L N 7.300 128.711 121.223 0.314 0.000 2.329 127 L HA 0.564 4.903 4.340 -0.001 0.000 0.279 127 L C -0.923 176.124 176.870 0.295 0.000 1.014 127 L CA -0.100 54.953 54.840 0.355 0.000 0.814 127 L CB 1.157 43.487 42.059 0.452 0.000 1.257 127 L HN 0.521 nan 8.230 nan 0.000 0.424 128 H N 2.602 121.748 119.070 0.127 0.000 2.947 128 H HA 0.532 5.087 4.556 -0.001 0.000 0.354 128 H C -1.555 173.846 175.328 0.121 0.000 1.085 128 H CA -0.345 55.763 56.048 0.099 0.000 1.253 128 H CB 1.778 31.580 29.762 0.066 0.000 1.757 128 H HN 0.764 nan 8.280 nan 0.000 0.523 129 T N 1.348 115.802 114.554 -0.167 0.000 2.930 129 T HA 0.321 4.670 4.350 -0.001 0.000 0.290 129 T C 0.267 174.831 174.700 -0.226 0.000 1.052 129 T CA -1.073 60.965 62.100 -0.104 0.000 1.017 129 T CB 1.777 70.647 68.868 0.004 0.000 1.137 129 T HN 0.702 nan 8.240 nan 0.000 0.511 130 N N 0.265 118.979 118.700 0.024 0.000 2.433 130 N HA 0.195 4.934 4.740 -0.001 0.000 0.270 130 N C -0.357 175.182 175.510 0.049 0.000 1.354 130 N CA -0.202 52.882 53.050 0.057 0.000 0.889 130 N CB 0.507 39.166 38.487 0.287 0.000 1.285 130 N HN 0.590 nan 8.380 nan 0.000 0.503 131 M N 2.695 122.255 119.600 -0.065 0.000 2.219 131 M HA 0.212 4.691 4.480 -0.001 0.000 0.353 131 M C -2.182 173.860 176.300 -0.431 0.000 1.304 131 M CA -0.964 54.079 55.300 -0.428 0.000 1.115 131 M CB 0.801 33.134 32.600 -0.446 0.000 1.664 131 M HN -0.005 nan 8.290 nan 0.000 0.459 132 P HA 0.143 nan 4.420 nan 0.000 0.312 132 P C -0.333 176.694 177.300 -0.456 0.000 1.308 132 P CA -0.286 62.464 63.100 -0.584 0.000 0.743 132 P CB 0.564 31.973 31.700 -0.485 0.000 1.364 133 N N -0.960 117.501 118.700 -0.399 0.000 2.191 133 N HA -0.011 4.729 4.740 -0.001 0.000 0.193 133 N C -0.070 175.341 175.510 -0.164 0.000 1.053 133 N CA 0.579 53.516 53.050 -0.189 0.000 0.943 133 N CB -0.698 37.771 38.487 -0.030 0.000 1.119 133 N HN 0.015 nan 8.380 nan 0.000 0.487 134 V N 2.162 122.021 119.914 -0.091 0.000 2.557 134 V HA 0.057 4.176 4.120 -0.001 0.000 0.301 134 V C 0.210 176.263 176.094 -0.069 0.000 1.026 134 V CA 0.293 62.560 62.300 -0.056 0.000 1.137 134 V CB 0.017 31.834 31.823 -0.010 0.000 0.917 134 V HN 0.509 nan 8.190 nan 0.000 0.484 135 N N 2.475 121.143 118.700 -0.053 0.000 2.710 135 N HA 0.223 4.962 4.740 -0.001 0.000 0.257 135 N C 0.405 175.932 175.510 0.027 0.000 1.327 135 N CA -0.603 52.416 53.050 -0.051 0.000 0.861 135 N CB 1.904 40.276 38.487 -0.192 0.000 1.532 135 N HN 0.581 nan 8.380 nan 0.000 0.499 136 E N 0.815 121.072 120.200 0.095 0.000 2.008 136 E HA -0.087 4.262 4.350 -0.001 0.000 0.191 136 E C 1.153 177.828 176.600 0.125 0.000 0.986 136 E CA 0.883 57.372 56.400 0.150 0.000 0.807 136 E CB -0.104 29.704 29.700 0.180 0.000 0.766 136 E HN 0.576 nan 8.360 nan 0.000 0.450 137 F N 0.476 120.483 119.950 0.095 0.000 2.216 137 F HA -0.170 4.356 4.527 -0.001 0.000 0.300 137 F C 2.040 177.630 175.800 -0.349 0.000 1.085 137 F CA 0.900 58.878 58.000 -0.038 0.000 1.326 137 F CB 0.217 39.241 39.000 0.041 0.000 1.027 137 F HN 0.109 nan 8.300 nan 0.000 0.497 138 M N -0.485 118.738 119.600 -0.628 0.000 2.561 138 M HA 0.013 4.492 4.480 -0.001 0.000 0.238 138 M C -0.202 175.833 176.300 -0.442 0.000 1.131 138 M CA 0.404 55.318 55.300 -0.643 0.000 1.046 138 M CB -0.908 31.480 32.600 -0.354 0.000 1.532 138 M HN 0.147 nan 8.290 nan 0.000 0.497 139 F N -0.073 119.750 119.950 -0.211 0.000 3.039 139 F HA -0.232 4.294 4.527 -0.001 0.000 0.287 139 F C 0.641 176.420 175.800 -0.036 0.000 0.956 139 F CA 0.876 58.817 58.000 -0.098 0.000 0.971 139 F CB -3.139 35.809 39.000 -0.086 0.000 0.943 139 F HN 0.091 nan 8.300 nan 0.000 0.766 140 T N -2.999 111.620 114.554 0.108 0.000 3.091 140 T HA 0.122 4.471 4.350 -0.001 0.000 0.277 140 T C 1.239 175.981 174.700 0.070 0.000 0.996 140 T CA 0.323 62.456 62.100 0.056 0.000 0.897 140 T CB 0.015 68.864 68.868 -0.033 0.000 1.109 140 T HN 0.652 nan 8.240 nan 0.000 0.534 141 N N 0.416 119.182 118.700 0.111 0.000 2.322 141 N HA 0.155 4.894 4.740 -0.001 0.000 0.181 141 N C 0.278 175.895 175.510 0.178 0.000 1.088 141 N CA -0.252 52.871 53.050 0.121 0.000 0.885 141 N CB 0.351 38.903 38.487 0.108 0.000 1.013 141 N HN 0.063 nan 8.380 nan 0.000 0.472 142 K N 0.276 120.798 120.400 0.204 0.000 2.318 142 K HA 0.446 4.765 4.320 -0.001 0.000 0.249 142 K C -1.636 175.179 176.600 0.359 0.000 0.942 142 K CA -0.922 55.504 56.287 0.232 0.000 0.808 142 K CB 1.975 34.547 32.500 0.120 0.000 1.189 142 K HN 0.199 nan 8.250 nan 0.000 0.428 143 F N -1.001 119.021 119.950 0.121 0.000 2.654 143 F HA 0.576 5.102 4.527 -0.001 0.000 0.308 143 F C -1.384 174.484 175.800 0.115 0.000 1.108 143 F CA -1.183 56.856 58.000 0.066 0.000 0.957 143 F CB 1.352 40.381 39.000 0.049 0.000 1.309 143 F HN 0.156 nan 8.300 nan 0.000 0.446 144 K N 2.114 122.466 120.400 -0.079 0.000 2.123 144 K HA 0.913 5.232 4.320 -0.001 0.000 0.259 144 K C -1.024 175.594 176.600 0.029 0.000 0.960 144 K CA -0.827 55.406 56.287 -0.091 0.000 0.872 144 K CB 2.008 34.475 32.500 -0.054 0.000 1.079 144 K HN 0.951 nan 8.250 nan 0.000 0.440 145 A N 1.627 124.594 122.820 0.245 0.000 2.612 145 A HA 0.510 4.829 4.320 -0.001 0.000 0.293 145 A C -1.567 176.154 177.584 0.229 0.000 1.075 145 A CA -0.782 51.447 52.037 0.320 0.000 0.680 145 A CB 1.411 20.565 19.000 0.257 0.000 1.279 145 A HN 0.709 nan 8.150 nan 0.000 0.411 146 R N 0.906 121.335 120.500 -0.119 0.000 2.265 146 R HA 0.632 4.971 4.340 -0.001 0.000 0.319 146 R C -1.191 174.960 176.300 -0.250 0.000 1.006 146 R CA -0.131 55.671 56.100 -0.496 0.000 0.880 146 R CB 0.743 30.335 30.300 -1.181 0.000 1.077 146 R HN 0.584 nan 8.270 nan 0.000 0.454 147 V N 4.765 124.598 119.914 -0.134 0.000 3.074 147 V HA 0.425 4.544 4.120 -0.001 0.000 0.314 147 V C 0.183 176.343 176.094 0.111 0.000 1.117 147 V CA -1.283 61.026 62.300 0.015 0.000 1.014 147 V CB 1.993 33.903 31.823 0.145 0.000 1.057 147 V HN 0.835 nan 8.190 nan 0.000 0.438 148 M N 0.957 120.695 119.600 0.230 0.000 2.235 148 M HA 0.595 5.074 4.480 -0.001 0.000 0.351 148 M C -0.361 176.047 176.300 0.181 0.000 1.178 148 M CA 0.061 55.516 55.300 0.258 0.000 1.143 148 M CB 1.452 34.183 32.600 0.220 0.000 1.530 148 M HN 0.300 nan 8.290 nan 0.000 0.461 149 V N 1.295 121.276 119.914 0.110 0.000 2.806 149 V HA 0.101 4.221 4.120 -0.001 0.000 0.239 149 V C 0.679 176.785 176.094 0.020 0.000 1.113 149 V CA 0.765 63.116 62.300 0.085 0.000 1.137 149 V CB 1.001 32.871 31.823 0.078 0.000 0.865 149 V HN 0.973 nan 8.190 nan 0.000 0.482 150 S N 1.131 116.818 115.700 -0.021 0.000 2.442 150 S HA 0.597 5.066 4.470 -0.001 0.000 0.297 150 S C -0.264 174.296 174.600 -0.067 0.000 1.131 150 S CA -0.408 57.764 58.200 -0.047 0.000 1.092 150 S CB 1.612 64.775 63.200 -0.062 0.000 0.998 150 S HN 0.398 nan 8.310 nan 0.000 0.478 151 R N 3.052 123.526 120.500 -0.043 0.000 2.278 151 R HA 0.337 4.677 4.340 -0.001 0.000 0.322 151 R C -0.099 176.173 176.300 -0.046 0.000 1.058 151 R CA -0.026 56.047 56.100 -0.044 0.000 0.991 151 R CB -0.250 30.045 30.300 -0.008 0.000 1.140 151 R HN 0.824 nan 8.270 nan 0.000 0.518 152 S N 3.530 119.190 115.700 -0.066 0.000 3.371 152 S HA -0.187 4.282 4.470 -0.001 0.000 0.353 152 S C 0.549 175.125 174.600 -0.039 0.000 0.849 152 S CA 0.698 58.865 58.200 -0.055 0.000 1.356 152 S CB -1.294 61.876 63.200 -0.050 0.000 1.217 152 S HN 0.755 nan 8.310 nan 0.000 0.559 153 L N 2.377 123.577 121.223 -0.038 0.000 2.450 153 L HA -0.012 4.327 4.340 -0.001 0.000 0.224 153 L C 1.681 178.537 176.870 -0.024 0.000 1.149 153 L CA 1.077 55.900 54.840 -0.028 0.000 0.816 153 L CB -0.915 41.128 42.059 -0.027 0.000 0.932 153 L HN 1.044 nan 8.230 nan 0.000 0.449 154 T N -1.319 113.219 114.554 -0.027 0.000 4.141 154 T HA -0.226 4.123 4.350 -0.001 0.000 0.352 154 T C 0.360 175.048 174.700 -0.019 0.000 0.756 154 T CA 0.359 62.445 62.100 -0.023 0.000 1.958 154 T CB -1.552 67.305 68.868 -0.019 0.000 1.848 154 T HN 0.324 nan 8.240 nan 0.000 0.872 155 K N 1.687 122.075 120.400 -0.020 0.000 2.361 155 K HA 0.177 4.497 4.320 -0.001 0.000 0.283 155 K C 0.102 176.694 176.600 -0.014 0.000 1.078 155 K CA 0.340 56.617 56.287 -0.016 0.000 1.041 155 K CB 0.003 32.493 32.500 -0.017 0.000 0.932 155 K HN 0.449 nan 8.250 nan 0.000 0.462 156 D N 3.406 123.799 120.400 -0.012 0.000 2.718 156 D HA -0.158 4.481 4.640 -0.001 0.000 0.242 156 D C -1.043 175.251 176.300 -0.010 0.000 1.123 156 D CA 0.800 54.794 54.000 -0.010 0.000 0.690 156 D CB -1.035 39.760 40.800 -0.008 0.000 1.059 156 D HN 0.656 nan 8.370 nan 0.000 0.429 157 K N -0.182 120.211 120.400 -0.011 0.000 5.230 157 K HA -0.267 4.052 4.320 -0.001 0.000 0.331 157 K C -0.242 176.351 176.600 -0.012 0.000 0.863 157 K CA 1.294 57.574 56.287 -0.011 0.000 1.030 157 K CB -0.796 31.699 32.500 -0.009 0.000 1.845 157 K HN 0.690 nan 8.250 nan 0.000 0.404 158 Q N -1.325 118.466 119.800 -0.016 0.000 2.599 158 Q HA 0.283 4.622 4.340 -0.001 0.000 0.248 158 Q C -0.639 175.347 176.000 -0.024 0.000 0.964 158 Q CA -1.133 54.659 55.803 -0.018 0.000 1.011 158 Q CB 0.848 29.576 28.738 -0.016 0.000 1.592 158 Q HN 0.130 nan 8.270 nan 0.000 0.443 159 V N -0.423 119.475 119.914 -0.027 0.000 2.377 159 V HA 0.280 4.400 4.120 -0.001 0.000 0.254 159 V C 0.007 176.070 176.094 -0.052 0.000 1.060 159 V CA 0.094 62.372 62.300 -0.037 0.000 1.068 159 V CB 0.081 31.883 31.823 -0.035 0.000 1.113 159 V HN 0.825 nan 8.190 nan 0.000 0.484 160 E N 5.469 125.634 120.200 -0.060 0.000 2.103 160 E HA 0.405 4.754 4.350 -0.001 0.000 0.254 160 E C -0.500 176.029 176.600 -0.117 0.000 0.940 160 E CA -0.576 55.776 56.400 -0.080 0.000 0.771 160 E CB 1.346 31.009 29.700 -0.062 0.000 1.153 160 E HN 0.924 nan 8.360 nan 0.000 0.428 161 L N 1.217 122.335 121.223 -0.176 0.000 2.275 161 L HA 0.594 4.933 4.340 -0.001 0.000 0.288 161 L C -0.188 176.418 176.870 -0.440 0.000 1.046 161 L CA -0.798 53.884 54.840 -0.263 0.000 0.805 161 L CB 1.079 42.980 42.059 -0.262 0.000 1.193 161 L HN 0.052 nan 8.230 nan 0.000 0.426 162 K N 2.847 123.034 120.400 -0.355 0.000 2.090 162 K HA 0.562 4.881 4.320 -0.001 0.000 0.249 162 K C -1.378 174.986 176.600 -0.393 0.000 0.995 162 K CA -0.510 55.578 56.287 -0.331 0.000 0.914 162 K CB 1.332 33.755 32.500 -0.127 0.000 1.057 162 K HN 0.575 nan 8.250 nan 0.000 0.462 163 Y N -0.110 120.155 120.300 -0.059 0.000 2.576 163 Y HA 0.398 4.947 4.550 -0.001 0.000 0.346 163 Y C -0.162 175.675 175.900 -0.106 0.000 1.018 163 Y CA -0.990 57.046 58.100 -0.107 0.000 1.050 163 Y CB 2.480 40.835 38.460 -0.175 0.000 1.280 163 Y HN 0.409 nan 8.280 nan 0.000 0.474 164 E N 0.671 120.890 120.200 0.033 0.000 2.375 164 E HA 0.148 4.497 4.350 -0.001 0.000 0.280 164 E C -2.078 174.453 176.600 -0.114 0.000 0.972 164 E CA -0.814 55.580 56.400 -0.010 0.000 0.782 164 E CB 1.916 31.648 29.700 0.054 0.000 1.229 164 E HN 0.555 nan 8.360 nan 0.000 0.439 165 W N 2.385 123.658 121.300 -0.045 0.000 2.287 165 W HA 0.382 5.041 4.660 -0.001 0.000 0.313 165 W C -0.019 176.393 176.519 -0.179 0.000 1.267 165 W CA -0.239 57.049 57.345 -0.095 0.000 1.201 165 W CB 0.858 30.273 29.460 -0.075 0.000 1.196 165 W HN 0.132 nan 8.180 nan 0.000 0.536 166 V N 0.031 119.904 119.914 -0.070 0.000 3.078 166 V HA 0.438 4.557 4.120 -0.001 0.000 0.311 166 V C -0.827 174.926 176.094 -0.568 0.000 1.138 166 V CA -1.623 60.451 62.300 -0.377 0.000 1.007 166 V CB 1.928 33.349 31.823 -0.669 0.000 1.045 166 V HN 0.521 nan 8.190 nan 0.000 0.432 167 E N 1.471 121.375 120.200 -0.494 0.000 2.035 167 E HA 0.487 4.836 4.350 -0.001 0.000 0.271 167 E C -1.422 174.922 176.600 -0.426 0.000 0.953 167 E CA -0.503 55.670 56.400 -0.380 0.000 0.777 167 E CB 0.626 30.220 29.700 -0.177 0.000 1.104 167 E HN 0.566 nan 8.360 nan 0.000 0.408 168 F N 1.531 121.279 119.950 -0.336 0.000 2.382 168 F HA 0.271 4.797 4.527 -0.001 0.000 0.331 168 F C 1.044 176.807 175.800 -0.061 0.000 1.121 168 F CA -0.180 57.686 58.000 -0.222 0.000 1.183 168 F CB 1.326 40.084 39.000 -0.402 0.000 1.207 168 F HN 0.135 nan 8.300 nan 0.000 0.555 169 T N 3.171 117.852 114.554 0.211 0.000 2.876 169 T HA 0.683 5.032 4.350 -0.001 0.000 0.289 169 T C -0.622 174.195 174.700 0.195 0.000 1.014 169 T CA -0.625 61.578 62.100 0.172 0.000 0.986 169 T CB 1.041 69.971 68.868 0.104 0.000 1.021 169 T HN 0.343 nan 8.240 nan 0.000 0.458 170 L N 3.775 125.099 121.223 0.169 0.000 2.303 170 L HA 0.585 4.925 4.340 -0.001 0.000 0.266 170 L C -1.797 175.139 176.870 0.111 0.000 1.011 170 L CA -2.301 52.624 54.840 0.142 0.000 0.818 170 L CB 1.989 44.123 42.059 0.126 0.000 1.326 170 L HN 0.451 nan 8.230 nan 0.000 0.435 171 P HA 0.217 nan 4.420 nan 0.000 0.206 171 P C 0.173 177.521 177.300 0.081 0.000 1.854 171 P CA -0.230 62.925 63.100 0.092 0.000 0.969 171 P CB 0.748 32.506 31.700 0.097 0.000 1.843 172 E N 0.762 121.005 120.200 0.073 0.000 3.995 172 E HA -0.356 3.993 4.350 -0.001 0.000 0.245 172 E C 1.767 178.392 176.600 0.041 0.000 1.300 172 E CA 2.472 58.904 56.400 0.053 0.000 2.077 172 E CB -1.836 27.904 29.700 0.066 0.000 1.830 172 E HN 0.458 nan 8.360 nan 0.000 0.271 173 G N 2.907 111.745 108.800 0.064 0.000 2.556 173 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.220 173 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.220 173 G C 0.682 175.688 174.900 0.176 0.000 1.156 173 G CA 1.332 46.483 45.100 0.084 0.000 0.766 173 G HN 0.568 nan 8.290 nan 0.000 0.583 174 N N -0.190 118.627 118.700 0.195 0.000 2.374 174 N HA 0.113 4.852 4.740 -0.001 0.000 0.241 174 N C -0.483 175.219 175.510 0.319 0.000 1.262 174 N CA 0.685 53.886 53.050 0.250 0.000 0.880 174 N CB 0.179 38.726 38.487 0.100 0.000 1.105 174 N HN 0.751 nan 8.380 nan 0.000 0.438 175 Y N -2.658 117.619 120.300 -0.039 0.000 2.782 175 Y HA 0.395 4.944 4.550 -0.001 0.000 0.264 175 Y C -1.142 174.734 175.900 -0.040 0.000 1.020 175 Y CA -0.994 57.080 58.100 -0.045 0.000 1.223 175 Y CB -0.108 38.332 38.460 -0.034 0.000 1.137 175 Y HN 0.492 nan 8.280 nan 0.000 0.560 176 S N 1.116 116.805 115.700 -0.018 0.000 2.568 176 S HA 0.238 4.707 4.470 -0.001 0.000 0.293 176 S C 0.866 175.431 174.600 -0.058 0.000 1.089 176 S CA -0.232 57.932 58.200 -0.060 0.000 0.945 176 S CB 1.469 64.608 63.200 -0.101 0.000 1.077 176 S HN 0.812 nan 8.310 nan 0.000 0.485 177 E N 1.372 121.544 120.200 -0.047 0.000 2.208 177 E HA -0.063 4.286 4.350 -0.001 0.000 0.193 177 E C 1.068 177.610 176.600 -0.098 0.000 0.988 177 E CA 1.518 57.880 56.400 -0.064 0.000 0.828 177 E CB -0.335 29.345 29.700 -0.034 0.000 0.763 177 E HN 0.527 nan 8.360 nan 0.000 0.478 178 T N 0.863 115.359 114.554 -0.098 0.000 2.755 178 T HA -0.009 4.340 4.350 -0.001 0.000 0.251 178 T C 1.748 176.350 174.700 -0.163 0.000 1.044 178 T CA 1.046 63.073 62.100 -0.121 0.000 1.154 178 T CB -0.191 68.617 68.868 -0.101 0.000 0.866 178 T HN 0.111 nan 8.240 nan 0.000 0.416 179 M N 1.368 120.861 119.600 -0.178 0.000 2.460 179 M HA -0.078 4.402 4.480 -0.001 0.000 0.263 179 M C 1.764 177.891 176.300 -0.288 0.000 1.071 179 M CA 1.095 56.230 55.300 -0.275 0.000 1.096 179 M CB -0.491 31.961 32.600 -0.246 0.000 1.408 179 M HN 0.247 nan 8.290 nan 0.000 0.463 180 T N 1.081 115.513 114.554 -0.203 0.000 2.915 180 T HA -0.067 4.282 4.350 -0.001 0.000 0.269 180 T C 1.682 176.223 174.700 -0.264 0.000 1.071 180 T CA 0.774 62.756 62.100 -0.197 0.000 1.132 180 T CB -0.020 68.755 68.868 -0.155 0.000 0.878 180 T HN 0.236 nan 8.240 nan 0.000 0.479 181 I N 2.176 122.591 120.570 -0.259 0.000 2.133 181 I HA -0.087 4.082 4.170 -0.001 0.000 0.238 181 I C 2.067 178.055 176.117 -0.215 0.000 1.074 181 I CA 1.303 62.442 61.300 -0.268 0.000 1.342 181 I CB -1.453 36.448 38.000 -0.166 0.000 1.053 181 I HN 0.170 nan 8.210 nan 0.000 0.404 182 D N 0.710 120.969 120.400 -0.234 0.000 2.158 182 D HA -0.187 4.452 4.640 -0.001 0.000 0.197 182 D C 2.264 178.410 176.300 -0.257 0.000 0.995 182 D CA 0.783 54.620 54.000 -0.271 0.000 0.846 182 D CB -0.116 40.330 40.800 -0.590 0.000 0.941 182 D HN 0.093 nan 8.370 nan 0.000 0.456 183 L N -0.078 120.960 121.223 -0.309 0.000 2.056 183 L HA -0.039 4.300 4.340 -0.001 0.000 0.207 183 L C 2.138 179.014 176.870 0.010 0.000 1.078 183 L CA 1.379 56.143 54.840 -0.127 0.000 0.749 183 L CB -0.780 41.203 42.059 -0.125 0.000 0.901 183 L HN 0.213 nan 8.230 nan 0.000 0.433 184 M N -0.928 118.621 119.600 -0.085 0.000 2.067 184 M HA -0.225 4.254 4.480 -0.001 0.000 0.260 184 M C 1.965 178.347 176.300 0.137 0.000 1.069 184 M CA 1.506 56.783 55.300 -0.038 0.000 1.117 184 M CB -0.623 31.610 32.600 -0.611 0.000 1.334 184 M HN 0.209 nan 8.290 nan 0.000 0.407 185 N N 0.946 119.738 118.700 0.153 0.000 2.094 185 N HA -0.198 4.541 4.740 -0.001 0.000 0.191 185 N C 1.392 177.032 175.510 0.216 0.000 1.023 185 N CA 1.796 54.986 53.050 0.233 0.000 0.857 185 N CB -0.598 38.013 38.487 0.206 0.000 1.013 185 N HN 0.438 nan 8.380 nan 0.000 0.426 186 N N 0.444 119.280 118.700 0.227 0.000 2.069 186 N HA -0.120 4.619 4.740 -0.001 0.000 0.191 186 N C 1.301 176.960 175.510 0.249 0.000 1.031 186 N CA 1.876 55.085 53.050 0.265 0.000 0.852 186 N CB -0.250 38.461 38.487 0.373 0.000 1.018 186 N HN 0.172 nan 8.380 nan 0.000 0.423 187 A N -0.587 122.384 122.820 0.252 0.000 2.238 187 A HA 0.205 4.524 4.320 -0.001 0.000 0.208 187 A C 1.952 179.761 177.584 0.376 0.000 1.177 187 A CA 0.091 52.317 52.037 0.315 0.000 0.804 187 A CB -0.477 18.723 19.000 0.333 0.000 0.823 187 A HN 0.435 nan 8.150 nan 0.000 0.482 188 I N -1.180 119.508 120.570 0.197 0.000 2.500 188 I HA -0.130 4.039 4.170 -0.001 0.000 0.252 188 I C 2.109 178.458 176.117 0.386 0.000 1.142 188 I CA 0.756 62.164 61.300 0.180 0.000 1.451 188 I CB 0.131 38.179 38.000 0.080 0.000 1.093 188 I HN 0.168 nan 8.210 nan 0.000 0.430 189 V N -0.027 120.081 119.914 0.324 0.000 2.500 189 V HA -0.132 3.987 4.120 -0.001 0.000 0.243 189 V C 2.190 178.483 176.094 0.332 0.000 1.039 189 V CA 1.276 63.772 62.300 0.325 0.000 1.053 189 V CB -0.369 31.590 31.823 0.228 0.000 0.695 189 V HN 0.327 nan 8.190 nan 0.000 0.463 190 E N -0.581 119.787 120.200 0.280 0.000 2.331 190 E HA -0.281 4.069 4.350 -0.001 0.000 0.199 190 E C 1.978 178.707 176.600 0.214 0.000 1.008 190 E CA 1.361 57.893 56.400 0.220 0.000 0.843 190 E CB -0.062 29.757 29.700 0.198 0.000 0.761 190 E HN 0.739 nan 8.360 nan 0.000 0.507 191 H N -0.629 118.593 119.070 0.252 0.000 2.317 191 H HA -0.148 4.407 4.556 -0.001 0.000 0.304 191 H C 1.888 177.337 175.328 0.201 0.000 1.067 191 H CA 1.766 57.943 56.048 0.214 0.000 1.352 191 H CB -0.371 29.573 29.762 0.302 0.000 1.398 191 H HN 0.178 nan 8.280 nan 0.000 0.510 192 Y N 1.008 121.390 120.300 0.137 0.000 2.139 192 Y HA -0.256 4.293 4.550 -0.001 0.000 0.282 192 Y C 2.014 177.923 175.900 0.015 0.000 1.179 192 Y CA 1.995 60.151 58.100 0.093 0.000 1.161 192 Y CB -0.413 38.163 38.460 0.194 0.000 0.970 192 Y HN 0.250 nan 8.280 nan 0.000 0.511 193 L N 0.148 121.420 121.223 0.082 0.000 2.362 193 L HA -0.168 4.171 4.340 -0.001 0.000 0.219 193 L C 2.357 179.169 176.870 -0.097 0.000 1.134 193 L CA 1.452 56.283 54.840 -0.016 0.000 0.807 193 L CB -0.441 41.673 42.059 0.091 0.000 0.927 193 L HN 0.233 nan 8.230 nan 0.000 0.447 194 K N -0.997 119.317 120.400 -0.143 0.000 2.335 194 K HA 0.057 4.376 4.320 -0.001 0.000 0.195 194 K C 1.487 177.959 176.600 -0.214 0.000 1.058 194 K CA 0.320 56.512 56.287 -0.159 0.000 0.988 194 K CB 0.835 33.257 32.500 -0.130 0.000 0.880 194 K HN 0.046 nan 8.250 nan 0.000 0.513 195 V N -1.687 118.041 119.914 -0.309 0.000 3.161 195 V HA 0.088 4.207 4.120 -0.001 0.000 0.228 195 V C 1.743 177.701 176.094 -0.227 0.000 1.415 195 V CA 0.844 62.992 62.300 -0.253 0.000 1.285 195 V CB 0.717 32.373 31.823 -0.277 0.000 1.100 195 V HN 0.373 nan 8.190 nan 0.000 0.478 196 G N 2.097 110.727 108.800 -0.284 0.000 2.511 196 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.216 196 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.216 196 G C 1.464 176.123 174.900 -0.402 0.000 1.218 196 G CA 1.418 46.364 45.100 -0.256 0.000 0.788 196 G HN 0.600 nan 8.290 nan 0.000 0.560 197 R N -0.149 119.861 120.500 -0.816 0.000 2.120 197 R HA -0.011 4.329 4.340 -0.001 0.000 0.234 197 R C 2.244 178.407 176.300 -0.229 0.000 1.123 197 R CA 1.482 57.273 56.100 -0.515 0.000 0.975 197 R CB -0.455 29.526 30.300 -0.532 0.000 0.866 197 R HN 0.292 nan 8.270 nan 0.000 0.446 198 Q N 0.852 120.520 119.800 -0.221 0.000 2.224 198 Q HA -0.009 4.330 4.340 -0.001 0.000 0.203 198 Q C 0.528 176.472 176.000 -0.093 0.000 0.970 198 Q CA 0.907 56.632 55.803 -0.129 0.000 0.865 198 Q CB -0.136 28.529 28.738 -0.121 0.000 0.922 198 Q HN 0.558 nan 8.270 nan 0.000 0.445 199 N N -0.601 118.040 118.700 -0.097 0.000 2.389 199 N HA 0.182 4.921 4.740 -0.001 0.000 0.260 199 N C 0.338 175.820 175.510 -0.047 0.000 1.191 199 N CA 0.600 53.614 53.050 -0.061 0.000 0.885 199 N CB 1.493 39.950 38.487 -0.051 0.000 1.162 199 N HN 0.364 nan 8.380 nan 0.000 0.512 200 G N -0.107 108.664 108.800 -0.048 0.000 2.213 200 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.226 200 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.226 200 G C 0.129 175.038 174.900 0.016 0.000 0.992 200 G CA -0.344 44.745 45.100 -0.018 0.000 0.632 200 G HN 0.183 nan 8.290 nan 0.000 0.511 201 V N 2.500 122.430 119.914 0.026 0.000 2.521 201 V HA 0.452 4.572 4.120 -0.001 0.000 0.286 201 V C 1.274 177.551 176.094 0.306 0.000 1.034 201 V CA -0.102 62.285 62.300 0.146 0.000 1.045 201 V CB 1.192 33.140 31.823 0.207 0.000 0.974 201 V HN 0.373 nan 8.190 nan 0.000 0.480 202 L N 4.261 125.622 121.223 0.230 0.000 2.464 202 L HA 0.215 4.554 4.340 -0.001 0.000 0.264 202 L C 1.669 178.637 176.870 0.164 0.000 1.199 202 L CA 0.207 55.170 54.840 0.205 0.000 0.818 202 L CB 0.365 42.476 42.059 0.087 0.000 1.102 202 L HN 0.663 nan 8.230 nan 0.000 0.473 203 E N 0.165 120.410 120.200 0.075 0.000 2.204 203 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 203 E C 1.699 178.119 176.600 -0.300 0.000 0.989 203 E CA 1.375 57.656 56.400 -0.199 0.000 0.824 203 E CB 0.018 29.717 29.700 -0.002 0.000 0.756 203 E HN 0.764 nan 8.360 nan 0.000 0.477 204 S N 0.622 116.251 115.700 -0.119 0.000 2.607 204 S HA -0.026 4.444 4.470 -0.001 0.000 0.224 204 S C 0.598 175.165 174.600 -0.054 0.000 0.969 204 S CA 0.268 58.426 58.200 -0.071 0.000 0.927 204 S CB 0.167 63.368 63.200 0.000 0.000 0.772 204 S HN 0.010 nan 8.310 nan 0.000 0.533 205 D N 1.047 121.411 120.400 -0.060 0.000 2.892 205 D HA 0.316 4.955 4.640 -0.001 0.000 0.291 205 D C 0.754 177.046 176.300 -0.013 0.000 1.341 205 D CA -0.338 53.645 54.000 -0.028 0.000 0.844 205 D CB 0.395 41.209 40.800 0.024 0.000 1.093 205 D HN 0.233 nan 8.370 nan 0.000 0.480 206 I N 0.629 121.166 120.570 -0.055 0.000 2.133 206 I HA -0.064 4.106 4.170 -0.001 0.000 0.238 206 I C 1.947 178.069 176.117 0.008 0.000 1.074 206 I CA 1.806 63.052 61.300 -0.089 0.000 1.342 206 I CB -0.643 37.216 38.000 -0.234 0.000 1.053 206 I HN 0.367 nan 8.210 nan 0.000 0.404 207 G N 0.183 109.000 108.800 0.028 0.000 3.110 207 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.238 207 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.238 207 G C 0.115 174.963 174.900 -0.086 0.000 1.647 207 G CA 0.063 45.147 45.100 -0.026 0.000 1.146 207 G HN 0.475 nan 8.290 nan 0.000 0.545 208 V N -0.242 119.608 119.914 -0.106 0.000 2.470 208 V HA 0.716 4.835 4.120 -0.001 0.000 0.276 208 V C 0.175 176.112 176.094 -0.262 0.000 1.040 208 V CA 0.114 62.294 62.300 -0.200 0.000 1.008 208 V CB 1.278 33.008 31.823 -0.154 0.000 0.990 208 V HN 0.779 nan 8.190 nan 0.000 0.477 209 K N 4.649 124.812 120.400 -0.394 0.000 2.535 209 K HA 0.485 4.804 4.320 -0.001 0.000 0.251 209 K C -1.860 174.438 176.600 -0.504 0.000 0.942 209 K CA -0.566 55.508 56.287 -0.354 0.000 0.798 209 K CB 2.037 34.406 32.500 -0.219 0.000 1.267 209 K HN 0.644 nan 8.250 nan 0.000 0.434 210 F N 2.771 122.694 119.950 -0.045 0.000 2.313 210 F HA 0.254 4.780 4.527 -0.001 0.000 0.369 210 F C 0.942 176.702 175.800 -0.067 0.000 1.109 210 F CA -0.547 57.415 58.000 -0.064 0.000 1.132 210 F CB 0.790 39.722 39.000 -0.113 0.000 1.291 210 F HN 0.323 nan 8.300 nan 0.000 0.496 211 D N 0.445 120.854 120.400 0.015 0.000 2.549 211 D HA 0.260 4.899 4.640 -0.001 0.000 0.270 211 D C 0.699 176.950 176.300 -0.082 0.000 1.181 211 D CA -0.080 53.902 54.000 -0.031 0.000 1.070 211 D CB 2.141 42.916 40.800 -0.042 0.000 1.154 211 D HN 0.456 nan 8.370 nan 0.000 0.602 212 T N -1.662 112.787 114.554 -0.175 0.000 3.087 212 T HA 0.147 4.497 4.350 -0.001 0.000 0.283 212 T C 0.252 174.758 174.700 -0.322 0.000 0.956 212 T CA -0.281 61.688 62.100 -0.219 0.000 0.894 212 T CB 0.210 68.958 68.868 -0.199 0.000 1.160 212 T HN 0.439 nan 8.240 nan 0.000 0.532 213 R N 1.044 121.276 120.500 -0.447 0.000 2.643 213 R HA 0.556 4.896 4.340 -0.001 0.000 0.272 213 R C -0.442 175.437 176.300 -0.701 0.000 0.995 213 R CA -0.906 54.912 56.100 -0.471 0.000 1.032 213 R CB 0.388 30.448 30.300 -0.400 0.000 1.126 213 R HN -0.047 nan 8.270 nan 0.000 0.505 214 N N 1.625 120.001 118.700 -0.541 0.000 2.420 214 N HA 0.021 4.761 4.740 -0.001 0.000 0.262 214 N C -0.237 175.101 175.510 -0.286 0.000 1.144 214 N CA -0.009 52.798 53.050 -0.406 0.000 0.952 214 N CB 0.300 38.378 38.487 -0.682 0.000 1.081 214 N HN 0.606 nan 8.380 nan 0.000 0.480 215 F N 2.053 121.997 119.950 -0.010 0.000 2.179 215 F HA 0.144 4.670 4.527 -0.001 0.000 0.292 215 F C 2.156 178.015 175.800 0.098 0.000 1.089 215 F CA 0.319 58.285 58.000 -0.057 0.000 1.295 215 F CB 0.190 39.062 39.000 -0.213 0.000 1.041 215 F HN 0.363 nan 8.300 nan 0.000 0.487 216 R N 0.713 121.368 120.500 0.258 0.000 2.366 216 R HA -0.026 4.313 4.340 -0.001 0.000 0.201 216 R C -0.462 175.891 176.300 0.088 0.000 1.057 216 R CA 0.049 56.193 56.100 0.074 0.000 1.086 216 R CB -0.646 29.523 30.300 -0.218 0.000 0.914 216 R HN 0.106 nan 8.270 nan 0.000 0.476 217 L N -0.306 120.998 121.223 0.135 0.000 2.265 217 L HA 0.274 4.613 4.340 -0.001 0.000 0.288 217 L C 1.058 178.023 176.870 0.158 0.000 1.058 217 L CA 0.858 55.749 54.840 0.086 0.000 0.809 217 L CB 1.544 43.569 42.059 -0.056 0.000 1.179 217 L HN 0.350 nan 8.230 nan 0.000 0.429 218 G N 3.745 112.632 108.800 0.145 0.000 2.259 218 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.217 218 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.217 218 G C 0.343 175.342 174.900 0.166 0.000 1.001 218 G CA -0.012 45.171 45.100 0.139 0.000 0.627 218 G HN 0.534 nan 8.290 nan 0.000 0.501 219 F N 3.069 123.041 119.950 0.036 0.000 2.629 219 F HA 0.455 4.981 4.527 -0.001 0.000 0.377 219 F C 0.204 175.997 175.800 -0.012 0.000 1.101 219 F CA 0.313 58.323 58.000 0.017 0.000 1.301 219 F CB 0.615 39.622 39.000 0.011 0.000 1.062 219 F HN 0.083 nan 8.300 nan 0.000 0.583 220 D N 8.179 128.244 120.400 -0.558 0.000 2.278 220 D HA 0.236 4.875 4.640 -0.001 0.000 0.245 220 D C -1.757 173.928 176.300 -1.024 0.000 1.052 220 D CA -1.784 51.884 54.000 -0.552 0.000 0.834 220 D CB 2.302 42.906 40.800 -0.328 0.000 1.194 220 D HN 0.276 nan 8.370 nan 0.000 0.481 221 P HA -0.087 nan 4.420 nan 0.000 0.223 221 P C 1.315 178.451 177.300 -0.274 0.000 1.151 221 P CA 0.716 63.603 63.100 -0.354 0.000 0.787 221 P CB 0.394 32.062 31.700 -0.052 0.000 0.788 222 V N -3.635 116.121 119.914 -0.263 0.000 3.125 222 V HA 0.030 4.150 4.120 -0.001 0.000 0.249 222 V C 2.124 178.086 176.094 -0.219 0.000 1.113 222 V CA 1.323 63.510 62.300 -0.188 0.000 1.106 222 V CB -1.933 29.809 31.823 -0.135 0.000 0.768 222 V HN -0.017 nan 8.190 nan 0.000 0.468 223 T N 0.863 115.240 114.554 -0.294 0.000 2.942 223 T HA 0.209 4.558 4.350 -0.001 0.000 0.265 223 T C 1.721 176.254 174.700 -0.278 0.000 1.062 223 T CA 1.482 63.415 62.100 -0.278 0.000 1.139 223 T CB -0.451 68.242 68.868 -0.292 0.000 0.883 223 T HN 1.160 nan 8.240 nan 0.000 0.468 224 G N 1.157 109.721 108.800 -0.392 0.000 2.155 224 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.257 224 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.257 224 G C -0.060 174.778 174.900 -0.104 0.000 0.983 224 G CA 0.247 45.198 45.100 -0.249 0.000 0.676 224 G HN 0.527 nan 8.290 nan 0.000 0.528 225 L N -0.948 120.141 121.223 -0.222 0.000 2.415 225 L HA 0.598 4.937 4.340 -0.001 0.000 0.256 225 L C 0.341 177.194 176.870 -0.029 0.000 1.010 225 L CA -1.562 53.256 54.840 -0.037 0.000 0.826 225 L CB 2.176 44.181 42.059 -0.089 0.000 1.405 225 L HN -0.113 nan 8.230 nan 0.000 0.410 226 V N 2.108 122.062 119.914 0.066 0.000 2.439 226 V HA 0.038 4.157 4.120 -0.001 0.000 0.271 226 V C 1.146 177.224 176.094 -0.027 0.000 1.040 226 V CA -0.255 62.080 62.300 0.058 0.000 1.002 226 V CB 1.028 32.872 31.823 0.035 0.000 1.000 226 V HN 0.723 nan 8.190 nan 0.000 0.477 227 M N 6.079 125.665 119.600 -0.024 0.000 2.175 227 M HA 0.031 4.510 4.480 -0.001 0.000 0.264 227 M C -0.297 175.999 176.300 -0.008 0.000 1.063 227 M CA 1.247 56.524 55.300 -0.038 0.000 1.119 227 M CB -1.588 30.989 32.600 -0.037 0.000 1.377 227 M HN 0.505 nan 8.290 nan 0.000 0.415 228 P HA 0.326 nan 4.420 nan 0.000 0.254 228 P C 0.685 177.985 177.300 0.000 0.000 1.620 228 P CA 0.471 63.581 63.100 0.018 0.000 1.050 228 P CB -0.193 31.526 31.700 0.033 0.000 1.539 229 G N -0.526 108.252 108.800 -0.036 0.000 2.205 229 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.269 229 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.269 229 G C 0.025 174.877 174.900 -0.080 0.000 0.977 229 G CA 0.284 45.345 45.100 -0.065 0.000 0.652 229 G HN 0.437 nan 8.290 nan 0.000 0.539 230 V N 0.232 120.111 119.914 -0.059 0.000 2.623 230 V HA 0.475 4.594 4.120 -0.001 0.000 0.304 230 V C -0.162 175.967 176.094 0.058 0.000 1.054 230 V CA -1.411 60.889 62.300 -0.000 0.000 0.882 230 V CB 1.541 33.399 31.823 0.058 0.000 1.002 230 V HN 0.262 nan 8.190 nan 0.000 0.424 231 Y N 2.052 122.449 120.300 0.161 0.000 2.544 231 Y HA 0.084 4.633 4.550 -0.001 0.000 0.330 231 Y C 1.551 177.525 175.900 0.125 0.000 1.136 231 Y CA -0.107 58.113 58.100 0.201 0.000 1.417 231 Y CB 0.348 39.035 38.460 0.379 0.000 1.229 231 Y HN 0.619 nan 8.280 nan 0.000 0.532 232 T N 3.000 117.701 114.554 0.246 0.000 2.758 232 T HA -0.145 4.204 4.350 -0.001 0.000 0.249 232 T C 0.541 175.299 174.700 0.096 0.000 1.011 232 T CA 0.018 62.198 62.100 0.132 0.000 1.301 232 T CB -0.779 68.144 68.868 0.091 0.000 0.992 232 T HN 0.551 nan 8.240 nan 0.000 0.549 233 N N 2.931 121.685 118.700 0.091 0.000 3.117 233 N HA 0.070 4.809 4.740 -0.001 0.000 0.323 233 N C -0.111 175.418 175.510 0.032 0.000 1.245 233 N CA -0.081 53.000 53.050 0.052 0.000 1.191 233 N CB 0.169 38.688 38.487 0.053 0.000 1.451 233 N HN 0.563 nan 8.380 nan 0.000 0.555 234 E N 0.433 120.675 120.200 0.070 0.000 2.218 234 E HA 0.493 4.842 4.350 -0.001 0.000 0.263 234 E C -0.965 175.699 176.600 0.106 0.000 0.879 234 E CA -0.855 55.594 56.400 0.083 0.000 0.762 234 E CB 1.253 31.076 29.700 0.204 0.000 1.166 234 E HN 0.325 nan 8.360 nan 0.000 0.415 235 A N 3.983 126.748 122.820 -0.091 0.000 2.511 235 A HA 0.264 4.583 4.320 -0.001 0.000 0.242 235 A C -0.496 176.871 177.584 -0.362 0.000 1.069 235 A CA 0.217 52.130 52.037 -0.207 0.000 0.763 235 A CB -0.076 18.735 19.000 -0.316 0.000 1.001 235 A HN 0.678 nan 8.150 nan 0.000 0.498 236 F N 2.516 122.234 119.950 -0.386 0.000 2.879 236 F HA 0.271 4.797 4.527 -0.001 0.000 0.354 236 F C 1.170 176.774 175.800 -0.327 0.000 1.291 236 F CA 0.230 58.031 58.000 -0.331 0.000 1.238 236 F CB -0.287 38.477 39.000 -0.393 0.000 1.005 236 F HN 0.911 nan 8.300 nan 0.000 0.508 237 H N -1.636 117.337 119.070 -0.161 0.000 1.562 237 H HA -0.196 4.359 4.556 -0.001 0.000 0.090 237 H C -1.983 173.302 175.328 -0.071 0.000 0.613 237 H CA 1.375 57.359 56.048 -0.106 0.000 1.889 237 H CB -2.284 27.430 29.762 -0.079 0.000 2.240 237 H HN 0.013 nan 8.280 nan 0.000 0.959 238 P HA 0.142 nan 4.420 nan 0.000 0.279 238 P C -0.952 176.400 177.300 0.086 0.000 1.318 238 P CA 0.143 63.304 63.100 0.103 0.000 0.819 238 P CB 0.010 31.858 31.700 0.247 0.000 0.927 239 D N 3.673 124.057 120.400 -0.026 0.000 2.586 239 D HA -0.040 4.600 4.640 -0.001 0.000 0.234 239 D C 0.584 176.927 176.300 0.071 0.000 1.132 239 D CA 0.419 54.400 54.000 -0.033 0.000 0.860 239 D CB -0.151 40.616 40.800 -0.055 0.000 1.159 239 D HN 0.238 nan 8.370 nan 0.000 0.490 240 I N 1.414 122.050 120.570 0.110 0.000 3.138 240 I HA 0.144 4.313 4.170 -0.001 0.000 0.288 240 I C 0.536 176.721 176.117 0.112 0.000 1.148 240 I CA -0.407 61.047 61.300 0.256 0.000 1.315 240 I CB 0.328 38.455 38.000 0.211 0.000 1.426 240 I HN 0.283 nan 8.210 nan 0.000 0.615 241 I N 4.115 124.768 120.570 0.139 0.000 2.362 241 I HA 0.385 4.555 4.170 -0.001 0.000 0.289 241 I C -0.836 175.275 176.117 -0.009 0.000 0.994 241 I CA -0.490 60.770 61.300 -0.066 0.000 1.158 241 I CB 0.921 38.865 38.000 -0.093 0.000 1.315 241 I HN 0.281 nan 8.210 nan 0.000 0.451 242 L N 7.615 128.765 121.223 -0.122 0.000 2.295 242 L HA 0.678 5.017 4.340 -0.001 0.000 0.285 242 L C -0.758 176.049 176.870 -0.105 0.000 1.035 242 L CA -0.590 54.199 54.840 -0.084 0.000 0.806 242 L CB 1.326 43.282 42.059 -0.171 0.000 1.214 242 L HN 0.473 nan 8.230 nan 0.000 0.426 243 L N 4.319 125.527 121.223 -0.025 0.000 2.513 243 L HA 0.652 4.991 4.340 -0.001 0.000 0.261 243 L C -2.883 173.826 176.870 -0.268 0.000 0.945 243 L CA -1.446 53.333 54.840 -0.102 0.000 0.848 243 L CB 2.565 44.560 42.059 -0.107 0.000 1.334 243 L HN 0.303 nan 8.230 nan 0.000 0.407 244 P HA 0.333 nan 4.420 nan 0.000 0.308 244 P C 0.502 177.248 177.300 -0.924 0.000 1.497 244 P CA -0.249 62.194 63.100 -1.095 0.000 1.101 244 P CB 2.160 33.492 31.700 -0.612 0.000 1.095 245 G N 2.462 110.522 108.800 -1.234 0.000 2.302 245 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.263 245 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.263 245 G C 0.447 174.909 174.900 -0.731 0.000 0.995 245 G CA 0.752 45.523 45.100 -0.549 0.000 0.622 245 G HN 0.805 nan 8.290 nan 0.000 0.538 246 C N -1.986 116.929 119.300 -0.642 0.000 3.462 246 C HA 1.110 5.569 4.460 -0.001 0.000 0.298 246 C C 1.031 175.803 174.990 -0.362 0.000 3.205 246 C CA 0.018 58.668 59.018 -0.614 0.000 1.845 246 C CB 1.315 28.697 27.740 -0.598 0.000 3.397 246 C HN 2.171 nan 8.230 nan 0.000 0.473 247 G N -1.088 107.523 108.800 -0.315 0.000 2.322 247 G HA2 0.604 4.563 3.960 -0.001 0.000 0.295 247 G HA3 0.604 4.563 3.960 -0.001 0.000 0.295 247 G C -1.200 173.691 174.900 -0.014 0.000 1.369 247 G CA 0.180 45.204 45.100 -0.126 0.000 0.821 247 G HN 1.926 nan 8.290 nan 0.000 0.536 248 V N -2.319 117.641 119.914 0.077 0.000 3.234 248 V HA 0.966 5.085 4.120 -0.001 0.000 0.317 248 V C -0.664 175.458 176.094 0.047 0.000 1.147 248 V CA -0.601 61.751 62.300 0.087 0.000 1.037 248 V CB 2.040 33.921 31.823 0.097 0.000 1.148 248 V HN 1.118 nan 8.190 nan 0.000 0.455 249 D N -0.922 119.332 120.400 -0.244 0.000 2.548 249 D HA 0.423 5.062 4.640 -0.001 0.000 0.214 249 D C -1.204 174.791 176.300 -0.508 0.000 1.345 249 D CA -0.334 53.521 54.000 -0.242 0.000 0.945 249 D CB 1.106 41.841 40.800 -0.109 0.000 1.499 249 D HN 0.402 nan 8.370 nan 0.000 0.579 250 F N 2.562 122.566 119.950 0.089 0.000 2.850 250 F HA 0.235 4.761 4.527 -0.001 0.000 0.306 250 F C 2.145 178.038 175.800 0.155 0.000 1.162 250 F CA -0.454 57.638 58.000 0.153 0.000 1.327 250 F CB 0.943 40.031 39.000 0.147 0.000 0.953 250 F HN 0.422 nan 8.300 nan 0.000 0.507 251 T N -0.801 113.807 114.554 0.091 0.000 2.929 251 T HA -0.156 4.193 4.350 -0.001 0.000 0.271 251 T C 0.820 175.386 174.700 -0.223 0.000 1.085 251 T CA 1.516 63.579 62.100 -0.062 0.000 1.125 251 T CB -0.264 68.476 68.868 -0.214 0.000 0.874 251 T HN 0.267 nan 8.240 nan 0.000 0.494 252 H N 0.173 119.273 119.070 0.051 0.000 2.716 252 H HA 0.543 5.098 4.556 -0.001 0.000 0.230 252 H C -0.828 174.542 175.328 0.069 0.000 1.401 252 H CA -0.330 55.714 56.048 -0.005 0.000 1.168 252 H CB 0.270 29.939 29.762 -0.154 0.000 1.935 252 H HN 0.132 nan 8.280 nan 0.000 0.538 253 S N -0.078 115.797 115.700 0.292 0.000 2.541 253 S HA 0.421 4.890 4.470 -0.001 0.000 0.271 253 S C 0.600 175.356 174.600 0.260 0.000 1.133 253 S CA -0.624 57.764 58.200 0.315 0.000 0.876 253 S CB 1.628 65.087 63.200 0.432 0.000 1.105 253 S HN 0.472 nan 8.310 nan 0.000 0.470 254 R N 2.207 122.808 120.500 0.169 0.000 2.362 254 R HA 0.347 4.686 4.340 -0.001 0.000 0.227 254 R C 1.327 177.616 176.300 -0.019 0.000 0.905 254 R CA 0.099 56.233 56.100 0.056 0.000 1.067 254 R CB -0.068 30.230 30.300 -0.002 0.000 1.078 254 R HN 0.569 nan 8.270 nan 0.000 0.516 255 L N 0.673 121.898 121.223 0.005 0.000 2.265 255 L HA -0.169 4.170 4.340 -0.001 0.000 0.215 255 L C 2.129 178.749 176.870 -0.416 0.000 1.117 255 L CA 1.295 56.042 54.840 -0.153 0.000 0.782 255 L CB -0.345 41.661 42.059 -0.089 0.000 0.914 255 L HN 0.253 nan 8.230 nan 0.000 0.441 256 S N -1.053 114.356 115.700 -0.485 0.000 2.419 256 S HA -0.184 4.285 4.470 -0.001 0.000 0.233 256 S C 1.721 176.131 174.600 -0.317 0.000 1.016 256 S CA 1.140 58.962 58.200 -0.630 0.000 0.974 256 S CB -0.446 62.677 63.200 -0.127 0.000 0.786 256 S HN 0.493 nan 8.310 nan 0.000 0.492 257 N N 1.079 119.657 118.700 -0.204 0.000 2.250 257 N HA 0.053 4.792 4.740 -0.001 0.000 0.181 257 N C 1.717 177.123 175.510 -0.173 0.000 1.017 257 N CA 0.702 53.657 53.050 -0.160 0.000 0.866 257 N CB -0.281 38.135 38.487 -0.117 0.000 0.985 257 N HN 0.275 nan 8.380 nan 0.000 0.429 258 L N 1.615 122.718 121.223 -0.201 0.000 2.046 258 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 258 L C 1.983 178.726 176.870 -0.212 0.000 1.077 258 L CA 1.286 56.012 54.840 -0.190 0.000 0.747 258 L CB -0.907 41.026 42.059 -0.209 0.000 0.896 258 L HN 0.153 nan 8.230 nan 0.000 0.432 259 L N -0.095 120.949 121.223 -0.298 0.000 2.201 259 L HA -0.004 4.335 4.340 -0.001 0.000 0.212 259 L C 1.404 178.125 176.870 -0.249 0.000 1.105 259 L CA 0.862 55.524 54.840 -0.297 0.000 0.775 259 L CB -0.548 41.255 42.059 -0.425 0.000 0.913 259 L HN 0.556 nan 8.230 nan 0.000 0.440 260 G N 0.804 109.468 108.800 -0.226 0.000 2.212 260 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.255 260 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.255 260 G C -0.167 174.595 174.900 -0.231 0.000 1.062 260 G CA -0.068 44.935 45.100 -0.162 0.000 0.815 260 G HN 0.273 nan 8.290 nan 0.000 0.497 261 I N -0.050 120.331 120.570 -0.315 0.000 2.436 261 I HA 0.684 4.854 4.170 -0.001 0.000 0.289 261 I C 0.243 176.363 176.117 0.005 0.000 1.010 261 I CA -0.954 60.148 61.300 -0.331 0.000 1.098 261 I CB 2.004 39.548 38.000 -0.760 0.000 1.266 261 I HN 0.223 nan 8.210 nan 0.000 0.434 262 R N 5.896 126.427 120.500 0.051 0.000 2.604 262 R HA 0.412 4.751 4.340 -0.001 0.000 0.281 262 R C -1.294 174.912 176.300 -0.157 0.000 1.020 262 R CA -0.871 55.162 56.100 -0.111 0.000 0.899 262 R CB 1.978 32.205 30.300 -0.120 0.000 1.205 262 R HN 0.558 nan 8.270 nan 0.000 0.450 263 K N 2.792 122.865 120.400 -0.545 0.000 2.484 263 K HA -0.046 4.273 4.320 -0.001 0.000 0.280 263 K C 1.087 177.569 176.600 -0.196 0.000 1.013 263 K CA 0.294 56.342 56.287 -0.399 0.000 1.029 263 K CB 0.717 32.857 32.500 -0.601 0.000 0.902 263 K HN 0.512 nan 8.250 nan 0.000 0.481 264 R N 2.034 122.481 120.500 -0.088 0.000 2.189 264 R HA -0.141 4.198 4.340 -0.001 0.000 0.223 264 R C 0.251 176.518 176.300 -0.055 0.000 1.092 264 R CA 1.360 57.445 56.100 -0.026 0.000 0.989 264 R CB 0.246 30.572 30.300 0.044 0.000 0.876 264 R HN 0.576 nan 8.270 nan 0.000 0.457 265 Q N -0.473 119.259 119.800 -0.113 0.000 2.700 265 Q HA 0.296 4.635 4.340 -0.001 0.000 0.249 265 Q C -2.389 173.540 176.000 -0.118 0.000 1.033 265 Q CA -1.920 53.838 55.803 -0.076 0.000 0.804 265 Q CB 1.806 30.503 28.738 -0.068 0.000 1.164 265 Q HN 0.000 nan 8.270 nan 0.000 0.500 266 P HA 0.100 nan 4.420 nan 0.000 0.257 266 P C -0.165 176.920 177.300 -0.357 0.000 1.281 266 P CA 0.058 62.981 63.100 -0.296 0.000 0.826 266 P CB 0.003 31.493 31.700 -0.350 0.000 1.237 267 F N -0.355 119.529 119.950 -0.110 0.000 2.743 267 F HA 0.178 4.704 4.527 -0.001 0.000 0.297 267 F C 1.462 177.217 175.800 -0.075 0.000 1.131 267 F CA 0.135 58.089 58.000 -0.076 0.000 1.426 267 F CB -0.088 38.880 39.000 -0.054 0.000 1.116 267 F HN -0.117 nan 8.300 nan 0.000 0.583 268 Q N 2.134 121.942 119.800 0.014 0.000 2.359 268 Q HA -0.019 4.321 4.340 -0.001 0.000 0.249 268 Q C 0.127 176.092 176.000 -0.058 0.000 1.181 268 Q CA -0.090 55.695 55.803 -0.029 0.000 0.897 268 Q CB 0.062 28.748 28.738 -0.087 0.000 1.424 268 Q HN 0.209 nan 8.270 nan 0.000 0.478 269 E N 2.778 122.965 120.200 -0.022 0.000 2.498 269 E HA 0.131 4.481 4.350 -0.001 0.000 0.252 269 E C -0.460 176.121 176.600 -0.032 0.000 1.025 269 E CA 0.543 56.926 56.400 -0.028 0.000 0.938 269 E CB 0.011 29.710 29.700 -0.002 0.000 0.947 269 E HN 0.804 nan 8.360 nan 0.000 0.478 270 G N 4.740 113.523 108.800 -0.029 0.000 2.491 270 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.508 270 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.508 270 G C -1.248 173.745 174.900 0.154 0.000 1.143 270 G CA -0.680 44.430 45.100 0.017 0.000 1.277 270 G HN 0.402 nan 8.290 nan 0.000 0.599 271 F N 4.830 124.790 119.950 0.017 0.000 2.291 271 F HA 0.705 5.231 4.527 -0.001 0.000 0.368 271 F C 0.481 176.380 175.800 0.165 0.000 1.085 271 F CA -1.663 56.405 58.000 0.113 0.000 1.165 271 F CB 0.597 39.666 39.000 0.115 0.000 1.429 271 F HN 0.598 nan 8.300 nan 0.000 0.503 272 R N 7.803 128.506 120.500 0.338 0.000 2.513 272 R HA 0.667 5.006 4.340 -0.001 0.000 0.301 272 R C -1.753 174.663 176.300 0.194 0.000 0.968 272 R CA -0.750 55.444 56.100 0.157 0.000 0.872 272 R CB 1.442 31.802 30.300 0.100 0.000 1.177 272 R HN 0.659 nan 8.270 nan 0.000 0.444 273 I N 0.178 120.794 120.570 0.077 0.000 2.433 273 I HA 0.552 4.721 4.170 -0.001 0.000 0.292 273 I C -0.799 175.359 176.117 0.068 0.000 1.001 273 I CA -0.673 60.667 61.300 0.067 0.000 1.119 273 I CB 2.319 40.343 38.000 0.040 0.000 1.289 273 I HN 0.575 nan 8.210 nan 0.000 0.438 274 T N 2.741 117.320 114.554 0.041 0.000 2.907 274 T HA 0.290 4.639 4.350 -0.001 0.000 0.290 274 T C 0.319 175.053 174.700 0.056 0.000 1.066 274 T CA -0.257 61.867 62.100 0.040 0.000 1.012 274 T CB 1.227 70.126 68.868 0.052 0.000 1.184 274 T HN 0.609 nan 8.240 nan 0.000 0.522 275 Y N 1.621 121.858 120.300 -0.105 0.000 2.207 275 Y HA -0.117 4.432 4.550 -0.001 0.000 0.287 275 Y C 1.809 177.654 175.900 -0.092 0.000 1.156 275 Y CA 2.291 60.331 58.100 -0.099 0.000 1.182 275 Y CB -0.375 38.010 38.460 -0.126 0.000 0.979 275 Y HN 0.768 nan 8.280 nan 0.000 0.521 276 D N -0.354 120.018 120.400 -0.047 0.000 2.178 276 D HA -0.162 4.477 4.640 -0.001 0.000 0.201 276 D C 1.673 177.863 176.300 -0.184 0.000 0.980 276 D CA 1.605 55.512 54.000 -0.155 0.000 0.842 276 D CB -0.083 40.666 40.800 -0.085 0.000 0.948 276 D HN 0.396 nan 8.370 nan 0.000 0.472 277 D N -0.455 119.846 120.400 -0.166 0.000 2.249 277 D HA -0.017 4.622 4.640 -0.001 0.000 0.205 277 D C 1.332 177.534 176.300 -0.164 0.000 0.962 277 D CA 0.339 54.195 54.000 -0.241 0.000 0.860 277 D CB 0.181 40.796 40.800 -0.308 0.000 0.955 277 D HN 0.172 nan 8.370 nan 0.000 0.505 278 L N 1.445 122.612 121.223 -0.092 0.000 2.645 278 L HA 0.042 4.381 4.340 -0.001 0.000 0.235 278 L C 0.902 177.703 176.870 -0.115 0.000 1.150 278 L CA 0.173 54.990 54.840 -0.038 0.000 0.911 278 L CB -0.668 41.430 42.059 0.065 0.000 1.077 278 L HN -0.009 nan 8.230 nan 0.000 0.438 279 E N 0.250 120.344 120.200 -0.177 0.000 2.480 279 E HA 0.188 4.537 4.350 -0.001 0.000 0.258 279 E C 1.128 177.625 176.600 -0.172 0.000 0.984 279 E CA 0.865 57.141 56.400 -0.208 0.000 0.930 279 E CB 0.215 29.790 29.700 -0.208 0.000 0.936 279 E HN 0.334 nan 8.360 nan 0.000 0.466 280 G N 2.853 111.535 108.800 -0.196 0.000 2.253 280 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.209 280 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.209 280 G C 0.732 175.508 174.900 -0.207 0.000 0.997 280 G CA 0.216 45.204 45.100 -0.186 0.000 0.640 280 G HN 0.825 nan 8.290 nan 0.000 0.496 281 G N 0.522 109.212 108.800 -0.184 0.000 2.662 281 G HA2 0.211 4.170 3.960 -0.001 0.000 0.215 281 G HA3 0.211 4.170 3.960 -0.001 0.000 0.215 281 G C 0.687 175.467 174.900 -0.201 0.000 1.310 281 G CA 1.065 46.080 45.100 -0.142 0.000 0.849 281 G HN 1.199 nan 8.290 nan 0.000 0.568 282 N N 0.539 119.131 118.700 -0.180 0.000 2.608 282 N HA -0.147 4.592 4.740 -0.001 0.000 0.273 282 N C 0.450 175.836 175.510 -0.206 0.000 1.133 282 N CA 0.859 53.763 53.050 -0.243 0.000 0.726 282 N CB -1.348 36.814 38.487 -0.542 0.000 0.890 282 N HN 0.766 nan 8.380 nan 0.000 0.548 283 I N -0.612 119.896 120.570 -0.104 0.000 3.015 283 I HA 0.047 4.216 4.170 -0.001 0.000 0.309 283 I C -1.545 174.629 176.117 0.096 0.000 1.229 283 I CA -0.733 60.510 61.300 -0.095 0.000 1.430 283 I CB 0.135 37.845 38.000 -0.483 0.000 1.347 283 I HN 0.158 nan 8.210 nan 0.000 0.544 284 P HA 0.108 nan 4.420 nan 0.000 0.270 284 P C -0.218 177.330 177.300 0.414 0.000 1.223 284 P CA -0.191 63.173 63.100 0.439 0.000 0.785 284 P CB 0.639 32.624 31.700 0.476 0.000 0.923 285 A N 2.568 125.592 122.820 0.340 0.000 2.366 285 A HA 0.257 4.577 4.320 -0.001 0.000 0.249 285 A C 1.168 178.830 177.584 0.130 0.000 1.084 285 A CA -0.462 51.730 52.037 0.258 0.000 0.794 285 A CB -0.461 18.648 19.000 0.182 0.000 1.034 285 A HN 0.567 nan 8.150 nan 0.000 0.491 286 L N -0.460 120.789 121.223 0.044 0.000 2.483 286 L HA 0.376 4.715 4.340 -0.001 0.000 0.159 286 L C 0.082 176.904 176.870 -0.079 0.000 1.273 286 L CA 0.269 55.031 54.840 -0.131 0.000 2.526 286 L CB -0.120 41.861 42.059 -0.130 0.000 2.598 286 L HN 0.703 nan 8.230 nan 0.000 0.766 287 L N -0.506 120.664 121.223 -0.089 0.000 2.847 287 L HA 0.212 4.551 4.340 -0.001 0.000 0.261 287 L C -1.226 175.602 176.870 -0.069 0.000 0.926 287 L CA -0.518 54.272 54.840 -0.083 0.000 1.010 287 L CB 1.469 43.472 42.059 -0.092 0.000 1.538 287 L HN 0.259 nan 8.230 nan 0.000 0.465 288 D N 3.733 124.093 120.400 -0.067 0.000 2.383 288 D HA 0.050 4.689 4.640 -0.001 0.000 0.275 288 D C 1.354 177.650 176.300 -0.006 0.000 1.344 288 D CA 0.346 54.318 54.000 -0.046 0.000 0.984 288 D CB 1.256 42.028 40.800 -0.046 0.000 1.104 288 D HN 0.444 nan 8.370 nan 0.000 0.524 289 V N 4.141 124.055 119.914 0.001 0.000 2.231 289 V HA -0.286 3.833 4.120 -0.001 0.000 0.250 289 V C 1.921 178.048 176.094 0.055 0.000 1.058 289 V CA 1.774 64.094 62.300 0.034 0.000 1.022 289 V CB -0.263 31.572 31.823 0.018 0.000 0.640 289 V HN 0.550 nan 8.190 nan 0.000 0.445 290 D N 0.387 120.804 120.400 0.028 0.000 2.224 290 D HA 0.013 4.652 4.640 -0.001 0.000 0.205 290 D C 1.643 177.964 176.300 0.035 0.000 0.965 290 D CA 1.347 55.361 54.000 0.023 0.000 0.852 290 D CB -0.065 40.739 40.800 0.006 0.000 0.947 290 D HN 0.506 nan 8.370 nan 0.000 0.494 291 A N -0.372 122.472 122.820 0.040 0.000 2.648 291 A HA 0.115 4.434 4.320 -0.001 0.000 0.269 291 A C 0.562 178.221 177.584 0.124 0.000 1.392 291 A CA -0.018 52.048 52.037 0.049 0.000 1.019 291 A CB -0.424 18.584 19.000 0.013 0.000 1.009 291 A HN 0.294 nan 8.150 nan 0.000 0.565 292 Y N -2.312 117.970 120.300 -0.030 0.000 3.032 292 Y HA 0.075 4.624 4.550 -0.001 0.000 0.232 292 Y C 1.712 177.597 175.900 -0.024 0.000 1.107 292 Y CA 0.823 58.906 58.100 -0.029 0.000 1.355 292 Y CB -0.112 38.328 38.460 -0.033 0.000 1.413 292 Y HN 0.239 nan 8.280 nan 0.000 0.447 293 Q N 0.719 120.537 119.800 0.030 0.000 2.083 293 Q HA 0.032 4.371 4.340 -0.001 0.000 0.198 293 Q C 1.742 177.689 176.000 -0.088 0.000 0.969 293 Q CA 1.542 57.275 55.803 -0.116 0.000 0.838 293 Q CB 0.090 28.811 28.738 -0.028 0.000 0.900 293 Q HN 0.556 nan 8.270 nan 0.000 0.436 294 A N -0.377 122.424 122.820 -0.033 0.000 2.218 294 A HA 0.016 4.336 4.320 -0.001 0.000 0.209 294 A C 1.958 179.526 177.584 -0.026 0.000 1.168 294 A CA 0.918 52.938 52.037 -0.029 0.000 0.804 294 A CB -0.110 18.882 19.000 -0.013 0.000 0.834 294 A HN 0.308 nan 8.150 nan 0.000 0.482 295 S N -0.572 115.116 115.700 -0.019 0.000 2.436 295 S HA 0.157 4.626 4.470 -0.001 0.000 0.228 295 S C 0.848 175.432 174.600 -0.026 0.000 1.014 295 S CA 0.171 58.368 58.200 -0.005 0.000 0.950 295 S CB -0.417 62.805 63.200 0.037 0.000 0.784 295 S HN 0.450 nan 8.310 nan 0.000 0.504 313 K N 0.750 121.179 120.400 0.048 0.000 2.345 313 K HA 0.692 5.011 4.320 -0.001 0.000 0.255 313 K C -1.981 174.650 176.600 0.051 0.000 0.934 313 K CA -1.137 55.207 56.287 0.096 0.000 0.801 313 K CB 1.758 34.323 32.500 0.109 0.000 1.137 313 K HN -0.199 nan 8.250 nan 0.000 0.424 314 P HA 0.031 nan 4.420 nan 0.000 0.262 314 P C 0.922 178.183 177.300 -0.065 0.000 1.651 314 P CA -0.237 62.872 63.100 0.015 0.000 1.119 314 P CB 0.072 31.801 31.700 0.048 0.000 1.552 315 V N -0.465 119.344 119.914 -0.174 0.000 2.277 315 V HA -0.302 3.817 4.120 -0.001 0.000 0.255 315 V C 1.857 177.804 176.094 -0.244 0.000 1.074 315 V CA 1.844 63.920 62.300 -0.373 0.000 1.058 315 V CB -1.962 29.608 31.823 -0.421 0.000 0.656 315 V HN 0.137 nan 8.190 nan 0.000 0.449 316 I N 0.375 120.846 120.570 -0.165 0.000 3.443 316 I HA 0.130 4.299 4.170 -0.001 0.000 0.312 316 I C 0.779 176.835 176.117 -0.102 0.000 1.155 316 I CA 0.486 61.707 61.300 -0.131 0.000 1.210 316 I CB -0.891 37.045 38.000 -0.108 0.000 0.999 316 I HN 0.150 nan 8.210 nan 0.000 0.537 317 K N 2.999 123.338 120.400 -0.102 0.000 2.334 317 K HA 0.446 4.765 4.320 -0.001 0.000 0.265 317 K C -2.620 173.933 176.600 -0.079 0.000 1.039 317 K CA -2.136 54.105 56.287 -0.077 0.000 0.920 317 K CB 0.961 33.426 32.500 -0.059 0.000 1.160 317 K HN -0.139 nan 8.250 nan 0.000 0.451 318 P HA 0.023 nan 4.420 nan 0.000 0.272 318 P C -0.635 176.611 177.300 -0.089 0.000 1.230 318 P CA -0.461 62.603 63.100 -0.060 0.000 0.788 318 P CB 0.567 32.248 31.700 -0.031 0.000 0.949 319 L N 2.149 123.298 121.223 -0.123 0.000 2.437 319 L HA 0.056 4.395 4.340 -0.001 0.000 0.243 319 L C 1.784 178.446 176.870 -0.347 0.000 1.346 319 L CA 0.387 55.095 54.840 -0.220 0.000 1.233 319 L CB -1.286 40.622 42.059 -0.251 0.000 1.436 319 L HN 0.443 nan 8.230 nan 0.000 0.416 320 T N 0.698 115.129 114.554 -0.206 0.000 2.701 320 T HA -0.229 4.121 4.350 -0.001 0.000 0.265 320 T C 0.826 175.392 174.700 -0.223 0.000 1.032 320 T CA 2.110 64.113 62.100 -0.162 0.000 1.158 320 T CB 0.047 68.862 68.868 -0.089 0.000 0.854 320 T HN 0.694 nan 8.240 nan 0.000 0.463 321 E N -0.596 119.440 120.200 -0.273 0.000 2.428 321 E HA 0.551 4.900 4.350 -0.001 0.000 0.259 321 E C -1.372 175.035 176.600 -0.322 0.000 0.930 321 E CA -0.976 55.291 56.400 -0.223 0.000 0.823 321 E CB 1.255 30.896 29.700 -0.098 0.000 1.403 321 E HN 0.091 nan 8.360 nan 0.000 0.415 322 D N -0.747 119.573 120.400 -0.132 0.000 2.857 322 D HA 0.201 4.841 4.640 -0.001 0.000 0.227 322 D C 0.386 176.691 176.300 0.010 0.000 1.192 322 D CA -0.354 53.610 54.000 -0.061 0.000 0.857 322 D CB 2.038 42.889 40.800 0.085 0.000 1.645 322 D HN 0.343 nan 8.370 nan 0.000 0.482 323 S N 2.027 117.733 115.700 0.010 0.000 2.287 323 S HA -0.333 4.136 4.470 -0.001 0.000 0.522 323 S C 0.783 175.399 174.600 0.027 0.000 0.946 323 S CA 2.153 60.367 58.200 0.023 0.000 3.250 323 S CB -0.417 62.808 63.200 0.042 0.000 2.279 323 S HN 0.610 nan 8.310 nan 0.000 0.548 324 K N 1.430 121.858 120.400 0.047 0.000 3.226 324 K HA 0.240 4.559 4.320 -0.001 0.000 0.268 324 K C -0.190 176.442 176.600 0.053 0.000 1.217 324 K CA -0.007 56.310 56.287 0.050 0.000 1.242 324 K CB -0.017 32.519 32.500 0.061 0.000 1.389 324 K HN 0.399 nan 8.250 nan 0.000 0.406 325 K N 1.810 122.231 120.400 0.035 0.000 3.974 325 K HA -0.222 4.098 4.320 -0.001 0.000 0.280 325 K C -1.071 175.554 176.600 0.042 0.000 0.949 325 K CA 0.670 56.973 56.287 0.026 0.000 0.817 325 K CB -0.731 31.782 32.500 0.022 0.000 1.535 325 K HN 0.436 nan 8.250 nan 0.000 0.444 326 R N 0.555 121.089 120.500 0.057 0.000 2.388 326 R HA 0.240 4.579 4.340 -0.001 0.000 0.314 326 R C -0.040 176.338 176.300 0.131 0.000 0.959 326 R CA -0.723 55.432 56.100 0.091 0.000 0.851 326 R CB 1.481 31.853 30.300 0.120 0.000 1.168 326 R HN 0.279 nan 8.270 nan 0.000 0.472 327 S N 1.790 117.548 115.700 0.097 0.000 2.568 327 S HA 0.039 4.508 4.470 -0.001 0.000 0.282 327 S C 0.333 175.097 174.600 0.274 0.000 1.338 327 S CA -0.361 57.902 58.200 0.105 0.000 1.045 327 S CB 0.426 63.650 63.200 0.040 0.000 0.873 327 S HN 0.706 nan 8.310 nan 0.000 0.516 328 Y N 1.117 121.421 120.300 0.006 0.000 2.468 328 Y HA 0.144 4.693 4.550 -0.001 0.000 0.268 328 Y C 0.475 176.333 175.900 -0.070 0.000 1.177 328 Y CA -0.757 57.367 58.100 0.040 0.000 1.265 328 Y CB -0.094 38.414 38.460 0.080 0.000 1.103 328 Y HN 0.741 nan 8.280 nan 0.000 0.522 329 N N 1.137 119.855 118.700 0.030 0.000 2.714 329 N HA -0.215 4.524 4.740 -0.001 0.000 0.252 329 N C -0.773 174.719 175.510 -0.031 0.000 1.014 329 N CA 0.700 53.699 53.050 -0.086 0.000 0.735 329 N CB -1.898 36.419 38.487 -0.283 0.000 0.924 329 N HN 0.428 nan 8.380 nan 0.000 0.540 330 L N -0.244 121.006 121.223 0.045 0.000 2.456 330 L HA 0.151 4.490 4.340 -0.001 0.000 0.272 330 L C 2.401 179.300 176.870 0.048 0.000 1.189 330 L CA -0.697 54.186 54.840 0.071 0.000 0.846 330 L CB 0.261 42.365 42.059 0.074 0.000 1.111 330 L HN -0.011 nan 8.230 nan 0.000 0.475 331 I N -0.040 120.576 120.570 0.076 0.000 2.113 331 I HA -0.258 3.912 4.170 -0.001 0.000 0.242 331 I C 1.268 177.409 176.117 0.040 0.000 1.064 331 I CA 1.763 63.104 61.300 0.069 0.000 1.320 331 I CB -0.555 37.512 38.000 0.111 0.000 1.028 331 I HN 0.823 nan 8.210 nan 0.000 0.406 332 S N -1.359 114.361 115.700 0.034 0.000 2.705 332 S HA 0.329 4.798 4.470 -0.001 0.000 0.280 332 S C 0.703 175.306 174.600 0.005 0.000 1.174 332 S CA -0.671 57.537 58.200 0.014 0.000 0.823 332 S CB 1.490 64.695 63.200 0.008 0.000 1.162 332 S HN 0.129 nan 8.310 nan 0.000 0.487 333 N N 0.991 119.687 118.700 -0.006 0.000 2.309 333 N HA -0.084 4.655 4.740 -0.001 0.000 0.182 333 N C 0.621 176.116 175.510 -0.025 0.000 1.018 333 N CA 1.003 54.044 53.050 -0.015 0.000 0.876 333 N CB -0.137 38.339 38.487 -0.018 0.000 0.972 333 N HN 0.545 nan 8.380 nan 0.000 0.434 334 D N 0.456 120.841 120.400 -0.025 0.000 2.117 334 D HA -0.040 4.599 4.640 -0.001 0.000 0.198 334 D C 0.403 176.668 176.300 -0.058 0.000 0.982 334 D CA 0.620 54.596 54.000 -0.039 0.000 0.828 334 D CB 0.009 40.789 40.800 -0.033 0.000 0.967 334 D HN 0.000 nan 8.370 nan 0.000 0.464 335 S N 0.018 115.693 115.700 -0.041 0.000 2.549 335 S HA 0.061 4.530 4.470 -0.001 0.000 0.283 335 S C 1.343 175.891 174.600 -0.086 0.000 1.320 335 S CA -0.122 58.039 58.200 -0.065 0.000 1.058 335 S CB 1.293 64.505 63.200 0.020 0.000 0.882 335 S HN 0.281 nan 8.310 nan 0.000 0.498 336 T N 0.483 114.902 114.554 -0.225 0.000 3.086 336 T HA 0.323 4.673 4.350 -0.001 0.000 0.250 336 T C 0.111 174.775 174.700 -0.061 0.000 1.074 336 T CA -0.011 61.972 62.100 -0.196 0.000 0.988 336 T CB -0.432 68.259 68.868 -0.296 0.000 0.988 336 T HN 0.433 nan 8.240 nan 0.000 0.530 337 F N 1.678 121.676 119.950 0.079 0.000 2.575 337 F HA 0.605 5.131 4.527 -0.001 0.000 0.330 337 F C 0.886 176.737 175.800 0.084 0.000 1.056 337 F CA -1.541 56.511 58.000 0.087 0.000 0.964 337 F CB 1.651 40.686 39.000 0.059 0.000 1.258 337 F HN -0.069 nan 8.300 nan 0.000 0.484 338 T N -1.945 112.794 114.554 0.308 0.000 2.944 338 T HA 0.225 4.574 4.350 -0.001 0.000 0.284 338 T C 0.247 175.020 174.700 0.122 0.000 1.010 338 T CA -0.668 61.546 62.100 0.190 0.000 1.025 338 T CB 1.648 70.635 68.868 0.199 0.000 1.079 338 T HN 0.708 nan 8.240 nan 0.000 0.516 339 Q N -0.190 119.629 119.800 0.033 0.000 2.482 339 Q HA 0.085 4.424 4.340 -0.001 0.000 0.209 339 Q C -0.499 175.526 176.000 0.041 0.000 0.961 339 Q CA 0.323 56.149 55.803 0.037 0.000 0.945 339 Q CB -0.132 28.586 28.738 -0.034 0.000 1.012 339 Q HN 0.673 nan 8.270 nan 0.000 0.515 340 Y N 0.824 121.102 120.300 -0.037 0.000 2.436 340 Y HA 0.156 4.705 4.550 -0.001 0.000 0.336 340 Y C 0.481 176.340 175.900 -0.068 0.000 1.049 340 Y CA -0.474 57.559 58.100 -0.112 0.000 1.294 340 Y CB 0.498 38.818 38.460 -0.233 0.000 1.179 340 Y HN -0.083 nan 8.280 nan 0.000 0.520 341 R N 1.814 122.425 120.500 0.186 0.000 2.532 341 R HA 0.430 4.769 4.340 -0.001 0.000 0.295 341 R C -0.933 175.424 176.300 0.095 0.000 0.968 341 R CA -0.475 55.705 56.100 0.133 0.000 0.916 341 R CB 1.550 31.995 30.300 0.243 0.000 1.124 341 R HN 0.569 nan 8.270 nan 0.000 0.463 342 S N 3.015 118.763 115.700 0.081 0.000 2.519 342 S HA 0.140 4.610 4.470 -0.001 0.000 0.309 342 S C 0.279 174.973 174.600 0.156 0.000 1.100 342 S CA -0.806 57.487 58.200 0.155 0.000 1.059 342 S CB 0.586 63.930 63.200 0.239 0.000 1.008 342 S HN 0.770 nan 8.310 nan 0.000 0.478 343 W N 5.696 127.053 121.300 0.095 0.000 2.318 343 W HA -0.204 4.455 4.660 -0.001 0.000 0.313 343 W C 1.508 178.133 176.519 0.177 0.000 1.221 343 W CA 1.861 59.275 57.345 0.116 0.000 1.266 343 W CB -0.757 28.767 29.460 0.105 0.000 1.150 343 W HN 0.965 nan 8.180 nan 0.000 0.496 344 Y N 0.540 120.733 120.300 -0.178 0.000 2.181 344 Y HA -0.228 4.321 4.550 -0.001 0.000 0.288 344 Y C 2.279 177.942 175.900 -0.395 0.000 1.146 344 Y CA 2.575 60.442 58.100 -0.389 0.000 1.164 344 Y CB -0.660 37.753 38.460 -0.077 0.000 0.982 344 Y HN -0.041 nan 8.280 nan 0.000 0.515 345 L N -0.952 120.183 121.223 -0.146 0.000 2.156 345 L HA -0.087 4.252 4.340 -0.001 0.000 0.208 345 L C 2.686 179.398 176.870 -0.263 0.000 1.095 345 L CA 0.881 55.619 54.840 -0.171 0.000 0.770 345 L CB -0.938 41.166 42.059 0.074 0.000 0.914 345 L HN 0.248 nan 8.230 nan 0.000 0.439 346 A N -0.598 122.065 122.820 -0.261 0.000 1.897 346 A HA -0.241 4.078 4.320 -0.001 0.000 0.215 346 A C 2.180 179.532 177.584 -0.386 0.000 1.181 346 A CA 1.091 52.974 52.037 -0.256 0.000 0.620 346 A CB -0.747 18.158 19.000 -0.158 0.000 0.821 346 A HN 0.409 nan 8.150 nan 0.000 0.443 347 Y N 0.741 120.654 120.300 -0.645 0.000 2.293 347 Y HA -0.117 4.433 4.550 -0.001 0.000 0.291 347 Y C 2.160 177.722 175.900 -0.564 0.000 1.137 347 Y CA 1.928 59.634 58.100 -0.658 0.000 1.202 347 Y CB 0.083 37.838 38.460 -1.176 0.000 0.990 347 Y HN 0.325 nan 8.280 nan 0.000 0.537 348 N N -2.090 116.171 118.700 -0.732 0.000 2.508 348 N HA -0.027 4.712 4.740 -0.001 0.000 0.186 348 N C 0.963 176.120 175.510 -0.588 0.000 1.034 348 N CA 1.078 53.652 53.050 -0.794 0.000 0.885 348 N CB -0.197 37.541 38.487 -1.248 0.000 1.135 348 N HN 0.402 nan 8.380 nan 0.000 0.435 349 Y N 0.537 120.654 120.300 -0.306 0.000 2.442 349 Y HA 0.358 4.907 4.550 -0.001 0.000 0.250 349 Y C 1.694 177.469 175.900 -0.207 0.000 1.113 349 Y CA -0.587 57.373 58.100 -0.233 0.000 1.273 349 Y CB 0.499 38.822 38.460 -0.228 0.000 1.138 349 Y HN -0.086 nan 8.280 nan 0.000 0.522 350 G N 0.114 108.850 108.800 -0.107 0.000 2.588 350 G HA2 0.001 3.960 3.960 -0.001 0.000 0.278 350 G HA3 0.001 3.960 3.960 -0.001 0.000 0.278 350 G C -1.187 173.642 174.900 -0.118 0.000 1.307 350 G CA -0.379 44.648 45.100 -0.122 0.000 1.016 350 G HN 0.054 nan 8.290 nan 0.000 0.503 351 D N 0.323 120.663 120.400 -0.102 0.000 2.382 351 D HA 0.212 4.851 4.640 -0.001 0.000 0.259 351 D C -0.852 175.385 176.300 -0.106 0.000 1.224 351 D CA -1.251 52.698 54.000 -0.084 0.000 0.894 351 D CB 1.470 42.234 40.800 -0.060 0.000 1.127 351 D HN 0.006 nan 8.370 nan 0.000 0.487 352 P HA -0.126 nan 4.420 nan 0.000 0.230 352 P C 0.559 177.807 177.300 -0.085 0.000 1.158 352 P CA 1.049 64.067 63.100 -0.138 0.000 0.769 352 P CB 0.445 32.070 31.700 -0.124 0.000 0.807 353 Q N -1.737 118.032 119.800 -0.051 0.000 2.391 353 Q HA 0.079 4.418 4.340 -0.001 0.000 0.243 353 Q C 1.763 177.763 176.000 0.001 0.000 0.874 353 Q CA 0.802 56.594 55.803 -0.017 0.000 0.950 353 Q CB 0.223 28.955 28.738 -0.010 0.000 1.103 353 Q HN 0.134 nan 8.270 nan 0.000 0.544 354 T N -0.427 114.117 114.554 -0.016 0.000 2.976 354 T HA 0.129 4.478 4.350 -0.001 0.000 0.257 354 T C 0.755 175.449 174.700 -0.010 0.000 1.051 354 T CA 0.835 62.929 62.100 -0.011 0.000 1.141 354 T CB 0.159 69.009 68.868 -0.031 0.000 0.881 354 T HN 0.321 nan 8.240 nan 0.000 0.461 355 G N -0.118 108.663 108.800 -0.032 0.000 3.107 355 G HA2 0.564 4.524 3.960 -0.001 0.000 0.232 355 G HA3 0.564 4.524 3.960 -0.001 0.000 0.232 355 G C 0.641 175.546 174.900 0.010 0.000 1.339 355 G CA -0.800 44.275 45.100 -0.041 0.000 1.033 355 G HN 0.193 nan 8.290 nan 0.000 0.567 356 I N -0.049 120.530 120.570 0.015 0.000 2.576 356 I HA -0.201 3.968 4.170 -0.001 0.000 0.263 356 I C 2.798 179.042 176.117 0.211 0.000 1.183 356 I CA 0.978 62.381 61.300 0.171 0.000 1.432 356 I CB 0.075 38.194 38.000 0.198 0.000 1.100 356 I HN 0.489 nan 8.210 nan 0.000 0.452 357 R N -0.370 120.069 120.500 -0.102 0.000 2.148 357 R HA -0.157 4.182 4.340 -0.001 0.000 0.227 357 R C 2.357 178.654 176.300 -0.005 0.000 1.103 357 R CA 1.548 57.437 56.100 -0.352 0.000 0.983 357 R CB -0.041 29.862 30.300 -0.661 0.000 0.874 357 R HN 0.183 nan 8.270 nan 0.000 0.451 358 S N -0.543 115.211 115.700 0.089 0.000 2.425 358 S HA -0.069 4.400 4.470 -0.001 0.000 0.225 358 S C 1.333 176.089 174.600 0.260 0.000 1.024 358 S CA 0.166 58.454 58.200 0.147 0.000 0.951 358 S CB -0.200 63.072 63.200 0.120 0.000 0.796 358 S HN 0.556 nan 8.310 nan 0.000 0.498 359 W N 2.520 123.895 121.300 0.126 0.000 2.436 359 W HA 0.023 4.682 4.660 -0.001 0.000 0.284 359 W C 1.018 177.670 176.519 0.222 0.000 1.225 359 W CA 1.605 59.051 57.345 0.169 0.000 1.271 359 W CB -0.163 29.413 29.460 0.192 0.000 1.114 359 W HN 0.401 nan 8.180 nan 0.000 0.559 360 T N -1.951 112.911 114.554 0.513 0.000 2.654 360 T HA 0.538 4.888 4.350 -0.001 0.000 0.289 360 T C -1.506 173.506 174.700 0.520 0.000 1.062 360 T CA -0.758 61.639 62.100 0.494 0.000 1.041 360 T CB 1.762 71.061 68.868 0.718 0.000 1.417 360 T HN -0.115 nan 8.240 nan 0.000 0.510 361 L N 0.852 122.293 121.223 0.363 0.000 2.455 361 L HA 0.747 5.086 4.340 -0.001 0.000 0.264 361 L C -1.735 175.096 176.870 -0.065 0.000 0.968 361 L CA -0.976 53.984 54.840 0.201 0.000 0.827 361 L CB 1.955 44.091 42.059 0.128 0.000 1.317 361 L HN 0.783 nan 8.230 nan 0.000 0.407 362 L N 4.958 125.975 121.223 -0.343 0.000 2.295 362 L HA 0.487 4.826 4.340 -0.001 0.000 0.288 362 L C -0.750 176.102 176.870 -0.031 0.000 1.079 362 L CA 0.277 54.973 54.840 -0.240 0.000 0.830 362 L CB -0.147 41.653 42.059 -0.431 0.000 1.200 362 L HN 0.749 nan 8.230 nan 0.000 0.438 363 C N 2.095 121.391 119.300 -0.007 0.000 2.595 363 C HA 0.693 5.153 4.460 -0.001 0.000 0.338 363 C C 0.747 175.737 174.990 -0.001 0.000 1.219 363 C CA -0.648 58.365 59.018 -0.008 0.000 1.811 363 C CB 1.829 29.550 27.740 -0.032 0.000 2.313 363 C HN 0.851 nan 8.230 nan 0.000 0.499 364 T N 1.383 115.930 114.554 -0.011 0.000 2.918 364 T HA 0.274 4.623 4.350 -0.001 0.000 0.302 364 T C -2.418 172.262 174.700 -0.034 0.000 1.045 364 T CA -0.748 61.341 62.100 -0.018 0.000 1.114 364 T CB 0.329 69.171 68.868 -0.044 0.000 0.965 364 T HN 0.557 nan 8.240 nan 0.000 0.540 365 P HA 0.124 nan 4.420 nan 0.000 0.261 365 P C -0.712 176.554 177.300 -0.056 0.000 1.183 365 P CA 0.150 63.220 63.100 -0.050 0.000 0.761 365 P CB 0.281 31.969 31.700 -0.021 0.000 0.785 366 D N 3.120 123.476 120.400 -0.073 0.000 2.412 366 D HA 0.045 4.684 4.640 -0.001 0.000 0.224 366 D C 0.996 177.256 176.300 -0.067 0.000 1.093 366 D CA -0.528 53.433 54.000 -0.065 0.000 0.850 366 D CB 1.067 41.825 40.800 -0.070 0.000 1.046 366 D HN -0.069 nan 8.370 nan 0.000 0.507 367 V N 3.664 123.548 119.914 -0.051 0.000 3.026 367 V HA -0.163 3.957 4.120 -0.001 0.000 0.265 367 V C 1.611 177.682 176.094 -0.038 0.000 1.121 367 V CA 2.142 64.418 62.300 -0.040 0.000 1.142 367 V CB -0.208 31.605 31.823 -0.017 0.000 0.730 367 V HN 0.641 nan 8.190 nan 0.000 0.503 368 T N -2.399 112.128 114.554 -0.044 0.000 2.976 368 T HA -0.032 4.317 4.350 -0.001 0.000 0.257 368 T C 1.274 175.928 174.700 -0.078 0.000 1.051 368 T CA 0.887 62.956 62.100 -0.052 0.000 1.141 368 T CB -0.185 68.661 68.868 -0.036 0.000 0.881 368 T HN 0.578 nan 8.240 nan 0.000 0.461 369 C N 0.077 119.330 119.300 -0.079 0.000 5.277 369 C HA -0.045 4.415 4.460 -0.001 0.000 0.225 369 C C 1.885 176.821 174.990 -0.090 0.000 1.237 369 C CA 0.240 59.204 59.018 -0.089 0.000 1.297 369 C CB -1.913 25.772 27.740 -0.092 0.000 1.947 369 C HN 0.813 nan 8.230 nan 0.000 0.642 370 G N -0.834 107.914 108.800 -0.086 0.000 4.130 370 G HA2 0.433 4.392 3.960 -0.001 0.000 0.162 370 G HA3 0.433 4.392 3.960 -0.001 0.000 0.162 370 G C 0.354 175.209 174.900 -0.074 0.000 1.099 370 G CA 0.893 45.940 45.100 -0.088 0.000 0.889 370 G HN 1.995 nan 8.290 nan 0.000 0.547 371 S N 0.984 116.644 115.700 -0.066 0.000 3.292 371 S HA -0.202 4.267 4.470 -0.001 0.000 0.360 371 S C -0.093 174.474 174.600 -0.055 0.000 0.930 371 S CA 1.475 59.645 58.200 -0.050 0.000 1.317 371 S CB -1.943 61.239 63.200 -0.029 0.000 0.920 371 S HN 0.727 nan 8.310 nan 0.000 0.540 372 E N 2.013 122.167 120.200 -0.077 0.000 2.319 372 E HA 0.270 4.620 4.350 -0.001 0.000 0.268 372 E C 0.798 177.346 176.600 -0.087 0.000 1.050 372 E CA -0.843 55.502 56.400 -0.092 0.000 0.878 372 E CB 0.477 30.103 29.700 -0.122 0.000 1.066 372 E HN 0.785 nan 8.360 nan 0.000 0.406 373 Q N 0.900 120.630 119.800 -0.118 0.000 2.260 373 Q HA 0.340 4.680 4.340 -0.001 0.000 0.242 373 Q C -0.264 175.616 176.000 -0.199 0.000 0.932 373 Q CA -0.598 55.142 55.803 -0.104 0.000 0.891 373 Q CB 1.224 29.921 28.738 -0.069 0.000 1.222 373 Q HN 0.331 nan 8.270 nan 0.000 0.453 374 V N -0.218 119.658 119.914 -0.064 0.000 2.975 374 V HA 0.672 4.791 4.120 -0.001 0.000 0.318 374 V C -1.056 175.174 176.094 0.226 0.000 1.077 374 V CA -1.070 61.204 62.300 -0.044 0.000 1.000 374 V CB 0.918 32.712 31.823 -0.048 0.000 1.066 374 V HN 0.769 nan 8.190 nan 0.000 0.452 375 Y N -1.126 119.163 120.300 -0.020 0.000 2.442 375 Y HA 0.648 5.197 4.550 -0.001 0.000 0.344 375 Y C -0.898 174.989 175.900 -0.023 0.000 0.976 375 Y CA -0.938 57.200 58.100 0.063 0.000 1.040 375 Y CB 1.210 39.737 38.460 0.111 0.000 1.228 375 Y HN 0.678 nan 8.280 nan 0.000 0.451 376 W N 1.936 123.284 121.300 0.080 0.000 2.316 376 W HA 0.618 5.277 4.660 -0.001 0.000 0.321 376 W C -0.462 176.026 176.519 -0.052 0.000 1.203 376 W CA -0.288 57.044 57.345 -0.023 0.000 1.214 376 W CB 1.584 30.946 29.460 -0.163 0.000 1.169 376 W HN 0.463 nan 8.180 nan 0.000 0.561 377 S N 2.805 118.642 115.700 0.229 0.000 2.647 377 S HA 0.572 5.041 4.470 -0.001 0.000 0.300 377 S C -0.715 173.948 174.600 0.105 0.000 1.129 377 S CA -0.900 57.388 58.200 0.147 0.000 1.029 377 S CB 0.897 64.248 63.200 0.253 0.000 1.007 377 S HN 0.516 nan 8.310 nan 0.000 0.484 378 L N 2.676 123.900 121.223 0.002 0.000 3.209 378 L HA 0.311 4.650 4.340 -0.001 0.000 0.279 378 L C -1.799 174.999 176.870 -0.119 0.000 1.301 378 L CA -1.520 53.289 54.840 -0.052 0.000 1.004 378 L CB 0.898 42.919 42.059 -0.064 0.000 1.402 378 L HN 0.471 nan 8.230 nan 0.000 0.577 379 P HA -0.034 nan 4.420 nan 0.000 0.247 379 P C 0.171 177.331 177.300 -0.233 0.000 1.225 379 P CA 0.756 63.712 63.100 -0.240 0.000 0.768 379 P CB 0.088 31.539 31.700 -0.414 0.000 1.020 380 D N -1.933 118.349 120.400 -0.197 0.000 2.363 380 D HA 0.188 4.827 4.640 -0.001 0.000 0.214 380 D C 1.485 177.720 176.300 -0.108 0.000 1.093 380 D CA 0.265 54.176 54.000 -0.148 0.000 0.837 380 D CB 0.222 40.939 40.800 -0.139 0.000 0.948 380 D HN 0.133 nan 8.370 nan 0.000 0.507 381 M N -0.785 118.751 119.600 -0.107 0.000 3.103 381 M HA 0.292 4.771 4.480 -0.001 0.000 0.208 381 M C -0.633 175.620 176.300 -0.078 0.000 1.849 381 M CA -0.001 55.245 55.300 -0.090 0.000 1.378 381 M CB 0.537 33.080 32.600 -0.096 0.000 1.142 381 M HN -0.191 nan 8.290 nan 0.000 0.600 382 M N 2.399 121.948 119.600 -0.085 0.000 2.249 382 M HA 0.062 4.541 4.480 -0.001 0.000 0.340 382 M C -0.390 175.869 176.300 -0.068 0.000 1.166 382 M CA 0.754 56.009 55.300 -0.075 0.000 1.115 382 M CB 0.447 32.991 32.600 -0.093 0.000 1.606 382 M HN 0.239 nan 8.290 nan 0.000 0.448 383 Q N 2.687 122.461 119.800 -0.043 0.000 2.300 383 Q HA 0.036 4.376 4.340 -0.001 0.000 0.262 383 Q C -0.805 175.158 176.000 -0.061 0.000 1.109 383 Q CA -0.200 55.583 55.803 -0.034 0.000 0.905 383 Q CB -0.142 28.594 28.738 -0.004 0.000 1.280 383 Q HN 0.586 nan 8.270 nan 0.000 0.426 384 D N 5.919 126.279 120.400 -0.066 0.000 2.661 384 D HA -0.066 4.573 4.640 -0.001 0.000 0.244 384 D C -1.968 174.293 176.300 -0.064 0.000 1.196 384 D CA -0.516 53.434 54.000 -0.083 0.000 0.881 384 D CB -0.090 40.703 40.800 -0.012 0.000 1.141 384 D HN 0.260 nan 8.370 nan 0.000 0.530 385 P HA -0.052 nan 4.420 nan 0.000 0.272 385 P C 0.028 177.388 177.300 0.100 0.000 1.243 385 P CA -0.566 62.486 63.100 -0.080 0.000 0.803 385 P CB 0.270 31.839 31.700 -0.218 0.000 0.974 386 V N -2.918 117.069 119.914 0.121 0.000 2.694 386 V HA 0.171 4.290 4.120 -0.001 0.000 0.306 386 V C 1.424 177.657 176.094 0.232 0.000 1.054 386 V CA 0.770 63.154 62.300 0.139 0.000 1.161 386 V CB -0.764 31.108 31.823 0.081 0.000 0.916 386 V HN 1.093 nan 8.190 nan 0.000 0.490 387 T N 0.796 115.433 114.554 0.139 0.000 8.834 387 T HA -0.266 4.083 4.350 -0.001 0.000 0.323 387 T C -0.151 174.583 174.700 0.057 0.000 2.005 387 T CA 1.102 63.240 62.100 0.063 0.000 3.227 387 T CB -2.561 66.295 68.868 -0.020 0.000 1.982 387 T HN 1.044 nan 8.240 nan 0.000 0.952 388 F N 3.940 123.890 119.950 -0.000 0.000 2.472 388 F HA 0.609 5.135 4.527 -0.002 0.000 0.364 388 F C 1.244 177.051 175.800 0.011 0.000 1.090 388 F CA -0.873 57.130 58.000 0.005 0.000 1.188 388 F CB 0.601 39.601 39.000 0.000 0.000 1.105 388 F HN 0.087 nan 8.300 nan 0.000 0.536 389 R N 1.463 122.042 120.500 0.131 0.000 2.585 389 R HA -0.007 4.332 4.340 -0.001 0.000 0.275 389 R C 0.232 176.606 176.300 0.122 0.000 1.018 389 R CA -0.209 55.947 56.100 0.094 0.000 1.072 389 R CB 0.442 30.779 30.300 0.061 0.000 0.953 389 R HN 0.542 nan 8.270 nan 0.000 0.419 390 S N 1.754 117.502 115.700 0.080 0.000 2.409 390 S HA 0.212 4.681 4.470 -0.001 0.000 0.308 390 S C -0.029 174.606 174.600 0.059 0.000 1.080 390 S CA -0.246 57.988 58.200 0.057 0.000 1.081 390 S CB 0.322 63.538 63.200 0.028 0.000 1.009 390 S HN 0.555 nan 8.310 nan 0.000 0.502 391 T N 2.023 116.632 114.554 0.092 0.000 2.858 391 T HA 0.619 4.968 4.350 -0.001 0.000 0.285 391 T C 0.401 175.198 174.700 0.163 0.000 1.052 391 T CA -0.179 61.999 62.100 0.130 0.000 1.009 391 T CB 1.497 70.464 68.868 0.164 0.000 1.241 391 T HN 0.697 nan 8.240 nan 0.000 0.542 392 S N 0.436 116.259 115.700 0.205 0.000 2.937 392 S HA 0.307 4.776 4.470 -0.001 0.000 0.252 392 S C 0.062 174.851 174.600 0.315 0.000 1.022 392 S CA -0.459 57.906 58.200 0.274 0.000 1.079 392 S CB -0.034 63.243 63.200 0.128 0.000 1.035 392 S HN 0.647 nan 8.310 nan 0.000 0.594 393 Q N 1.432 121.383 119.800 0.252 0.000 2.349 393 Q HA 0.424 4.763 4.340 -0.001 0.000 0.254 393 Q C 0.438 176.353 176.000 -0.142 0.000 0.980 393 Q CA -0.426 55.422 55.803 0.074 0.000 0.924 393 Q CB 0.418 29.181 28.738 0.041 0.000 1.209 393 Q HN 0.565 nan 8.270 nan 0.000 0.445 394 I N 1.634 122.006 120.570 -0.329 0.000 3.102 394 I HA -0.206 3.963 4.170 -0.001 0.000 0.278 394 I C 1.209 176.924 176.117 -0.670 0.000 1.316 394 I CA 0.788 61.578 61.300 -0.851 0.000 1.425 394 I CB -0.039 37.712 38.000 -0.416 0.000 1.073 394 I HN 0.386 nan 8.210 nan 0.000 0.503 395 S N -0.316 115.170 115.700 -0.357 0.000 2.539 395 S HA 0.136 4.606 4.470 -0.001 0.000 0.221 395 S C 1.243 175.786 174.600 -0.096 0.000 0.987 395 S CA -0.124 57.964 58.200 -0.186 0.000 0.929 395 S CB -0.107 63.034 63.200 -0.098 0.000 0.832 395 S HN 0.530 nan 8.310 nan 0.000 0.492 396 N N 0.369 119.015 118.700 -0.089 0.000 2.232 396 N HA 0.163 4.902 4.740 -0.001 0.000 0.240 396 N C -1.120 174.509 175.510 0.199 0.000 1.307 396 N CA -0.102 52.982 53.050 0.056 0.000 0.859 396 N CB 0.313 38.837 38.487 0.062 0.000 1.260 396 N HN 0.082 nan 8.380 nan 0.000 0.501 397 F N 3.701 123.693 119.950 0.071 0.000 2.590 397 F HA 0.153 4.680 4.527 -0.001 0.000 0.389 397 F C -1.430 174.429 175.800 0.099 0.000 1.049 397 F CA -1.700 56.339 58.000 0.065 0.000 1.199 397 F CB -0.049 38.969 39.000 0.030 0.000 1.058 397 F HN 0.080 nan 8.300 nan 0.000 0.556 398 P HA -0.100 nan 4.420 nan 0.000 0.265 398 P C -0.482 176.756 177.300 -0.102 0.000 1.167 398 P CA 0.271 63.466 63.100 0.158 0.000 0.760 398 P CB 0.427 32.133 31.700 0.011 0.000 0.783 399 V N 4.023 123.636 119.914 -0.503 0.000 2.394 399 V HA 0.096 4.215 4.120 -0.001 0.000 0.282 399 V C 1.570 177.415 176.094 -0.415 0.000 1.031 399 V CA -0.190 61.888 62.300 -0.369 0.000 0.881 399 V CB 1.505 33.121 31.823 -0.345 0.000 0.982 399 V HN 0.504 nan 8.190 nan 0.000 0.451 400 V N 1.561 121.360 119.914 -0.193 0.000 3.565 400 V HA 0.710 4.830 4.120 -0.001 0.000 0.260 400 V C 0.698 176.734 176.094 -0.096 0.000 1.231 400 V CA 0.869 63.068 62.300 -0.168 0.000 1.100 400 V CB 0.082 31.819 31.823 -0.143 0.000 0.807 400 V HN 0.971 nan 8.190 nan 0.000 0.454 401 G N -0.846 107.947 108.800 -0.011 0.000 2.616 401 G HA2 0.707 4.666 3.960 -0.001 0.000 0.294 401 G HA3 0.707 4.666 3.960 -0.001 0.000 0.294 401 G C -1.505 173.624 174.900 0.381 0.000 1.489 401 G CA -0.130 45.074 45.100 0.172 0.000 0.836 401 G HN 1.008 nan 8.290 nan 0.000 0.527 402 A N 0.791 123.907 122.820 0.493 0.000 2.385 402 A HA 0.822 5.141 4.320 -0.001 0.000 0.290 402 A C -0.402 177.446 177.584 0.439 0.000 1.094 402 A CA -0.442 51.903 52.037 0.512 0.000 0.729 402 A CB 1.583 20.867 19.000 0.474 0.000 1.194 402 A HN 0.675 nan 8.150 nan 0.000 0.442 403 E N 1.105 121.593 120.200 0.479 0.000 2.254 403 E HA 0.558 4.907 4.350 -0.001 0.000 0.261 403 E C -0.963 175.749 176.600 0.186 0.000 1.051 403 E CA -0.784 55.806 56.400 0.316 0.000 0.902 403 E CB 1.171 31.137 29.700 0.442 0.000 1.168 403 E HN 0.579 nan 8.360 nan 0.000 0.423 404 L N 3.210 124.502 121.223 0.114 0.000 2.305 404 L HA 0.207 4.546 4.340 -0.001 0.000 0.281 404 L C -0.921 175.982 176.870 0.054 0.000 1.085 404 L CA -0.455 54.421 54.840 0.060 0.000 0.813 404 L CB 0.941 43.019 42.059 0.031 0.000 1.157 404 L HN 0.458 nan 8.230 nan 0.000 0.436 405 L N 8.779 130.015 121.223 0.023 0.000 2.660 405 L HA 0.214 4.553 4.340 -0.001 0.000 0.272 405 L C -2.036 174.841 176.870 0.011 0.000 1.194 405 L CA -0.803 54.046 54.840 0.014 0.000 0.945 405 L CB -0.439 41.611 42.059 -0.015 0.000 1.212 405 L HN 0.534 nan 8.230 nan 0.000 0.490 406 P HA 0.155 nan 4.420 nan 0.000 0.244 406 P C -1.367 175.939 177.300 0.010 0.000 1.769 406 P CA 0.003 63.117 63.100 0.024 0.000 1.102 406 P CB -0.116 31.627 31.700 0.071 0.000 1.937 407 V N 1.494 121.409 119.914 0.002 0.000 2.711 407 V HA 0.565 4.684 4.120 -0.001 0.000 0.304 407 V C -0.499 175.650 176.094 0.091 0.000 1.097 407 V CA -0.804 61.522 62.300 0.044 0.000 0.906 407 V CB 1.933 33.756 31.823 0.000 0.000 1.015 407 V HN 0.574 nan 8.190 nan 0.000 0.427 408 H N 1.743 120.808 119.070 -0.008 0.000 2.864 408 H HA 0.769 5.325 4.556 -0.001 0.000 0.354 408 H C -0.480 174.834 175.328 -0.023 0.000 1.208 408 H CA -0.643 55.394 56.048 -0.018 0.000 1.191 408 H CB 1.775 31.526 29.762 -0.018 0.000 1.889 408 H HN 0.820 nan 8.280 nan 0.000 0.574 409 S N 0.887 116.605 115.700 0.029 0.000 2.465 409 S HA 0.318 4.787 4.470 -0.001 0.000 0.279 409 S C -0.340 174.041 174.600 -0.366 0.000 1.201 409 S CA -0.705 57.413 58.200 -0.137 0.000 1.053 409 S CB -0.114 63.038 63.200 -0.081 0.000 0.953 409 S HN 0.533 nan 8.310 nan 0.000 0.488 410 K N 3.552 123.694 120.400 -0.430 0.000 2.316 410 K HA 0.397 4.716 4.320 -0.001 0.000 0.267 410 K C -0.393 175.793 176.600 -0.689 0.000 1.025 410 K CA -0.374 55.565 56.287 -0.580 0.000 0.896 410 K CB 1.091 33.226 32.500 -0.609 0.000 1.124 410 K HN 0.725 nan 8.250 nan 0.000 0.451 411 S N 2.970 118.317 115.700 -0.589 0.000 2.586 411 S HA 0.643 5.113 4.470 -0.001 0.000 0.274 411 S C -0.338 173.900 174.600 -0.603 0.000 1.281 411 S CA -0.650 57.288 58.200 -0.437 0.000 1.035 411 S CB 0.472 63.542 63.200 -0.217 0.000 0.962 411 S HN 0.352 nan 8.310 nan 0.000 0.512 412 F N -0.220 119.738 119.950 0.013 0.000 2.640 412 F HA 0.555 5.081 4.527 -0.001 0.000 0.324 412 F C -0.560 175.325 175.800 0.142 0.000 1.077 412 F CA -1.270 56.758 58.000 0.047 0.000 0.965 412 F CB 1.226 40.240 39.000 0.023 0.000 1.351 412 F HN 0.603 nan 8.300 nan 0.000 0.487 413 Y N 1.079 121.498 120.300 0.198 0.000 2.446 413 Y HA 0.524 5.073 4.550 -0.001 0.000 0.338 413 Y C -0.869 175.076 175.900 0.076 0.000 1.055 413 Y CA -0.977 57.184 58.100 0.100 0.000 1.101 413 Y CB 1.801 40.296 38.460 0.059 0.000 1.221 413 Y HN 0.622 nan 8.280 nan 0.000 0.460 414 N N 2.934 121.652 118.700 0.030 0.000 2.697 414 N HA 0.137 4.876 4.740 -0.001 0.000 0.271 414 N C -1.053 174.336 175.510 -0.203 0.000 1.149 414 N CA -0.237 52.792 53.050 -0.034 0.000 0.939 414 N CB 0.918 39.392 38.487 -0.020 0.000 1.534 414 N HN 0.632 nan 8.380 nan 0.000 0.556 415 D N 1.349 121.685 120.400 -0.106 0.000 2.349 415 D HA 0.023 4.663 4.640 -0.001 0.000 0.215 415 D C 0.497 176.807 176.300 0.016 0.000 1.016 415 D CA 0.587 54.524 54.000 -0.104 0.000 0.870 415 D CB 0.513 41.302 40.800 -0.017 0.000 0.917 415 D HN 0.631 nan 8.370 nan 0.000 0.524 416 Q N -0.154 119.694 119.800 0.080 0.000 2.491 416 Q HA 0.046 4.385 4.340 -0.001 0.000 0.214 416 Q C 1.546 177.600 176.000 0.090 0.000 0.970 416 Q CA -0.041 55.875 55.803 0.189 0.000 0.960 416 Q CB 0.319 29.132 28.738 0.125 0.000 0.996 416 Q HN 0.196 nan 8.270 nan 0.000 0.524 417 A N -0.158 122.655 122.820 -0.011 0.000 2.014 417 A HA -0.087 4.233 4.320 -0.001 0.000 0.218 417 A C 2.155 179.700 177.584 -0.065 0.000 1.163 417 A CA 0.761 52.768 52.037 -0.050 0.000 0.652 417 A CB -0.119 18.816 19.000 -0.108 0.000 0.808 417 A HN 0.228 nan 8.150 nan 0.000 0.449 418 V N -1.508 118.338 119.914 -0.113 0.000 2.307 418 V HA -0.232 3.887 4.120 -0.001 0.000 0.245 418 V C 1.687 177.631 176.094 -0.251 0.000 1.045 418 V CA 1.487 63.645 62.300 -0.237 0.000 1.024 418 V CB -0.978 30.595 31.823 -0.417 0.000 0.651 418 V HN 0.710 nan 8.190 nan 0.000 0.449 419 Y N 0.450 120.746 120.300 -0.007 0.000 2.596 419 Y HA 0.129 4.678 4.550 -0.001 0.000 0.316 419 Y C 2.303 178.208 175.900 0.008 0.000 1.156 419 Y CA 0.352 58.455 58.100 0.005 0.000 1.300 419 Y CB -0.521 37.938 38.460 -0.002 0.000 1.130 419 Y HN 0.284 nan 8.280 nan 0.000 0.518 420 S N -0.544 115.215 115.700 0.099 0.000 2.399 420 S HA -0.250 4.219 4.470 -0.001 0.000 0.231 420 S C 1.733 176.387 174.600 0.091 0.000 1.022 420 S CA 1.178 59.422 58.200 0.073 0.000 0.983 420 S CB -0.108 63.108 63.200 0.027 0.000 0.803 420 S HN 0.604 nan 8.310 nan 0.000 0.480 421 Q N 0.575 120.428 119.800 0.088 0.000 2.061 421 Q HA 0.048 4.387 4.340 -0.001 0.000 0.204 421 Q C 1.892 177.978 176.000 0.142 0.000 0.984 421 Q CA 1.484 57.351 55.803 0.106 0.000 0.846 421 Q CB -0.385 28.402 28.738 0.081 0.000 0.902 421 Q HN 0.555 nan 8.270 nan 0.000 0.421 422 L N 0.666 121.994 121.223 0.176 0.000 2.675 422 L HA -0.010 4.330 4.340 -0.001 0.000 0.239 422 L C 1.702 178.659 176.870 0.146 0.000 1.151 422 L CA -0.129 54.825 54.840 0.189 0.000 0.905 422 L CB -0.038 42.157 42.059 0.226 0.000 1.057 422 L HN 0.249 nan 8.230 nan 0.000 0.435 423 I N -0.638 120.008 120.570 0.128 0.000 2.188 423 I HA -0.198 3.971 4.170 -0.001 0.000 0.237 423 I C 2.478 178.663 176.117 0.114 0.000 1.073 423 I CA 0.847 62.207 61.300 0.101 0.000 1.359 423 I CB -0.184 37.867 38.000 0.084 0.000 1.083 423 I HN 0.271 nan 8.210 nan 0.000 0.412 424 R N 0.816 121.387 120.500 0.118 0.000 2.096 424 R HA -0.187 4.152 4.340 -0.001 0.000 0.235 424 R C 2.063 178.402 176.300 0.065 0.000 1.127 424 R CA 1.280 57.435 56.100 0.090 0.000 0.968 424 R CB -0.830 29.553 30.300 0.137 0.000 0.861 424 R HN 0.560 nan 8.270 nan 0.000 0.440 425 Q N -0.707 119.173 119.800 0.133 0.000 2.170 425 Q HA -0.081 4.258 4.340 -0.001 0.000 0.203 425 Q C 1.178 177.249 176.000 0.120 0.000 0.976 425 Q CA 1.308 57.189 55.803 0.130 0.000 0.858 425 Q CB 0.061 28.909 28.738 0.184 0.000 0.907 425 Q HN 0.291 nan 8.270 nan 0.000 0.433 426 F N -1.420 118.532 119.950 0.003 0.000 2.682 426 F HA 0.092 4.618 4.527 -0.001 0.000 0.308 426 F C 1.981 177.768 175.800 -0.022 0.000 1.093 426 F CA 0.012 58.006 58.000 -0.010 0.000 1.244 426 F CB 0.721 39.718 39.000 -0.006 0.000 1.052 426 F HN -0.073 nan 8.300 nan 0.000 0.573 427 T N -1.353 113.286 114.554 0.142 0.000 2.639 427 T HA -0.162 4.187 4.350 -0.001 0.000 0.261 427 T C 1.748 176.457 174.700 0.015 0.000 1.053 427 T CA 2.049 64.189 62.100 0.066 0.000 1.158 427 T CB -0.184 68.711 68.868 0.045 0.000 0.863 427 T HN 0.158 nan 8.240 nan 0.000 0.413 428 S N -1.651 114.022 115.700 -0.044 0.000 2.583 428 S HA 0.203 4.672 4.470 -0.001 0.000 0.264 428 S C 0.143 174.643 174.600 -0.166 0.000 1.008 428 S CA -0.202 57.943 58.200 -0.092 0.000 1.435 428 S CB -0.155 62.985 63.200 -0.101 0.000 1.236 428 S HN 0.271 nan 8.310 nan 0.000 0.669 429 L N 2.310 123.401 121.223 -0.219 0.000 3.970 429 L HA -0.207 4.133 4.340 -0.001 0.000 0.425 429 L C 1.131 177.600 176.870 -0.669 0.000 1.162 429 L CA 1.784 56.383 54.840 -0.403 0.000 0.968 429 L CB -2.149 39.771 42.059 -0.232 0.000 1.896 429 L HN 0.621 nan 8.230 nan 0.000 1.006 430 T N -4.871 109.377 114.554 -0.510 0.000 2.937 430 T HA 0.017 4.366 4.350 -0.001 0.000 0.260 430 T C 0.985 175.501 174.700 -0.305 0.000 1.051 430 T CA 0.628 62.516 62.100 -0.353 0.000 1.141 430 T CB -0.293 68.427 68.868 -0.248 0.000 0.879 430 T HN 0.587 nan 8.240 nan 0.000 0.459 431 H N -0.009 119.005 119.070 -0.094 0.000 2.741 431 H HA -0.112 4.443 4.556 -0.001 0.000 0.305 431 H C 1.190 176.430 175.328 -0.146 0.000 1.169 431 H CA 0.513 56.510 56.048 -0.085 0.000 1.144 431 H CB -2.347 27.381 29.762 -0.057 0.000 1.397 431 H HN 0.328 nan 8.280 nan 0.000 0.409 432 V N -0.568 119.228 119.914 -0.197 0.000 2.453 432 V HA -0.172 3.947 4.120 -0.001 0.000 0.247 432 V C 1.828 177.774 176.094 -0.247 0.000 1.048 432 V CA 2.026 64.144 62.300 -0.303 0.000 1.049 432 V CB -0.399 31.141 31.823 -0.472 0.000 0.672 432 V HN 0.347 nan 8.190 nan 0.000 0.457 433 F N 0.777 120.735 119.950 0.014 0.000 2.873 433 F HA 0.359 4.885 4.527 -0.001 0.000 0.289 433 F C 0.858 176.670 175.800 0.019 0.000 1.206 433 F CA -0.101 57.910 58.000 0.018 0.000 1.401 433 F CB -0.101 38.913 39.000 0.022 0.000 0.996 433 F HN 0.186 nan 8.300 nan 0.000 0.511 434 N N 0.549 119.300 118.700 0.084 0.000 2.898 434 N HA 0.006 4.745 4.740 -0.001 0.000 0.203 434 N C 0.739 176.193 175.510 -0.092 0.000 1.276 434 N CA -0.035 53.043 53.050 0.047 0.000 1.743 434 N CB 0.036 38.595 38.487 0.120 0.000 1.505 434 N HN -0.059 nan 8.380 nan 0.000 0.636 435 R N -0.350 119.952 120.500 -0.330 0.000 2.235 435 R HA 0.164 4.503 4.340 -0.001 0.000 0.213 435 R C -0.237 175.666 176.300 -0.662 0.000 1.059 435 R CA 0.877 56.607 56.100 -0.615 0.000 0.997 435 R CB -0.031 29.683 30.300 -0.977 0.000 0.884 435 R HN 0.291 nan 8.270 nan 0.000 0.462 436 F N 0.256 120.218 119.950 0.020 0.000 2.597 436 F HA 0.298 4.824 4.527 -0.001 0.000 0.336 436 F C -1.541 174.266 175.800 0.011 0.000 1.432 436 F CA -1.863 56.144 58.000 0.010 0.000 1.120 436 F CB 1.234 40.236 39.000 0.002 0.000 1.253 436 F HN -0.143 nan 8.300 nan 0.000 0.546 437 P HA -0.203 nan 4.420 nan 0.000 0.220 437 P C 1.298 178.646 177.300 0.079 0.000 1.148 437 P CA 1.501 64.632 63.100 0.051 0.000 0.803 437 P CB 0.279 31.940 31.700 -0.065 0.000 0.782 438 E N -0.297 119.960 120.200 0.094 0.000 2.076 438 E HA -0.099 4.251 4.350 -0.001 0.000 0.190 438 E C 0.899 177.586 176.600 0.146 0.000 0.979 438 E CA 0.497 56.957 56.400 0.100 0.000 0.807 438 E CB -1.350 28.401 29.700 0.086 0.000 0.761 438 E HN 0.145 nan 8.360 nan 0.000 0.454 439 N N 1.807 120.613 118.700 0.177 0.000 2.475 439 N HA -0.054 4.685 4.740 -0.001 0.000 0.267 439 N C 0.270 175.875 175.510 0.159 0.000 1.169 439 N CA 0.113 53.282 53.050 0.198 0.000 0.947 439 N CB 0.941 39.502 38.487 0.124 0.000 1.061 439 N HN 0.120 nan 8.380 nan 0.000 0.466 440 Q N 3.282 123.210 119.800 0.213 0.000 2.329 440 Q HA 0.084 4.423 4.340 -0.001 0.000 0.208 440 Q C 0.521 176.591 176.000 0.116 0.000 0.934 440 Q CA 0.202 56.141 55.803 0.227 0.000 0.951 440 Q CB 0.337 29.278 28.738 0.339 0.000 1.017 440 Q HN 0.681 nan 8.270 nan 0.000 0.490 441 I N -1.673 118.815 120.570 -0.137 0.000 3.623 441 I HA -0.102 4.067 4.170 -0.001 0.000 0.253 441 I C 1.045 177.017 176.117 -0.241 0.000 1.144 441 I CA 0.204 61.298 61.300 -0.342 0.000 1.461 441 I CB 0.142 37.686 38.000 -0.759 0.000 1.575 441 I HN 0.025 nan 8.210 nan 0.000 0.445 442 L N 1.556 122.622 121.223 -0.262 0.000 2.622 442 L HA 0.222 4.561 4.340 -0.001 0.000 0.233 442 L C 1.330 178.283 176.870 0.138 0.000 1.156 442 L CA 0.051 54.794 54.840 -0.161 0.000 0.866 442 L CB -1.970 39.812 42.059 -0.462 0.000 0.980 442 L HN 0.153 nan 8.230 nan 0.000 0.448 443 A N 0.638 123.524 122.820 0.109 0.000 2.504 443 A HA 0.061 4.380 4.320 -0.001 0.000 0.242 443 A C 0.672 178.338 177.584 0.136 0.000 1.100 443 A CA -0.295 51.833 52.037 0.151 0.000 0.786 443 A CB -0.104 18.968 19.000 0.121 0.000 1.050 443 A HN 0.509 nan 8.150 nan 0.000 0.512 444 R N 1.000 121.574 120.500 0.122 0.000 2.488 444 R HA 0.174 4.514 4.340 -0.001 0.000 0.317 444 R C -2.562 173.779 176.300 0.069 0.000 0.941 444 R CA -0.838 55.324 56.100 0.103 0.000 1.076 444 R CB -0.709 29.652 30.300 0.102 0.000 0.917 444 R HN 0.431 nan 8.270 nan 0.000 0.407 445 P HA 0.129 nan 4.420 nan 0.000 0.271 445 P C -2.291 174.999 177.300 -0.016 0.000 1.218 445 P CA -1.396 61.705 63.100 0.002 0.000 0.780 445 P CB 0.273 31.964 31.700 -0.015 0.000 0.901 446 P HA 0.172 nan 4.420 nan 0.000 0.272 446 P C -0.654 176.594 177.300 -0.087 0.000 1.240 446 P CA -0.201 62.866 63.100 -0.056 0.000 0.791 446 P CB 0.496 32.153 31.700 -0.071 0.000 0.978 447 A N 1.878 124.646 122.820 -0.088 0.000 2.295 447 A HA 0.670 4.989 4.320 -0.001 0.000 0.318 447 A C -2.343 175.148 177.584 -0.154 0.000 1.134 447 A CA -1.664 50.309 52.037 -0.106 0.000 0.827 447 A CB -0.523 18.433 19.000 -0.073 0.000 1.136 447 A HN 0.375 nan 8.150 nan 0.000 0.493 448 P HA 0.274 nan 4.420 nan 0.000 0.278 448 P C 0.946 178.166 177.300 -0.133 0.000 1.258 448 P CA -0.136 62.838 63.100 -0.211 0.000 0.811 448 P CB 0.808 32.355 31.700 -0.254 0.000 1.063 449 T N -1.256 113.217 114.554 -0.136 0.000 2.867 449 T HA -0.041 4.308 4.350 -0.001 0.000 0.268 449 T C 0.883 175.447 174.700 -0.227 0.000 1.057 449 T CA 1.038 62.952 62.100 -0.310 0.000 1.136 449 T CB -0.834 67.829 68.868 -0.343 0.000 0.874 449 T HN 0.397 nan 8.240 nan 0.000 0.466 450 I N 1.073 121.674 120.570 0.050 0.000 2.390 450 I HA 0.508 4.677 4.170 -0.001 0.000 0.283 450 I C -0.916 175.277 176.117 0.127 0.000 1.016 450 I CA -0.940 60.447 61.300 0.144 0.000 1.151 450 I CB 1.585 39.666 38.000 0.136 0.000 1.293 450 I HN -0.247 nan 8.210 nan 0.000 0.458 451 T N 3.863 118.497 114.554 0.134 0.000 2.799 451 T HA 0.537 4.887 4.350 -0.001 0.000 0.286 451 T C 0.401 175.186 174.700 0.142 0.000 0.973 451 T CA -0.585 61.584 62.100 0.115 0.000 1.035 451 T CB 1.239 70.160 68.868 0.090 0.000 0.932 451 T HN 0.763 nan 8.240 nan 0.000 0.469 452 T N -0.153 114.439 114.554 0.063 0.000 2.859 452 T HA 0.720 5.069 4.350 -0.001 0.000 0.281 452 T C -0.472 174.254 174.700 0.043 0.000 1.005 452 T CA -0.763 61.343 62.100 0.010 0.000 1.025 452 T CB 1.242 70.087 68.868 -0.038 0.000 0.977 452 T HN 0.336 nan 8.240 nan 0.000 0.458 453 V N 3.066 123.010 119.914 0.051 0.000 2.577 453 V HA 0.468 4.587 4.120 -0.001 0.000 0.303 453 V C 0.331 176.497 176.094 0.119 0.000 1.042 453 V CA -0.996 61.367 62.300 0.105 0.000 0.872 453 V CB 2.269 34.176 31.823 0.140 0.000 0.998 453 V HN 1.195 nan 8.190 nan 0.000 0.423 454 S N 3.442 119.262 115.700 0.201 0.000 2.519 454 S HA 0.191 4.660 4.470 -0.001 0.000 0.320 454 S C -0.158 174.553 174.600 0.185 0.000 1.179 454 S CA -0.159 58.127 58.200 0.143 0.000 1.173 454 S CB -0.104 63.138 63.200 0.069 0.000 1.224 454 S HN 0.789 nan 8.310 nan 0.000 0.542 455 E N 3.473 123.758 120.200 0.142 0.000 2.146 455 E HA 0.152 4.502 4.350 -0.001 0.000 0.282 455 E C -0.266 176.447 176.600 0.189 0.000 0.989 455 E CA -0.597 55.909 56.400 0.176 0.000 0.799 455 E CB 0.520 30.289 29.700 0.115 0.000 1.088 455 E HN 0.667 nan 8.360 nan 0.000 0.397 456 N N 2.382 121.152 118.700 0.118 0.000 2.492 456 N HA 0.120 4.860 4.740 -0.001 0.000 0.260 456 N C -0.954 174.645 175.510 0.149 0.000 1.215 456 N CA 0.165 53.263 53.050 0.080 0.000 0.923 456 N CB 1.710 40.187 38.487 -0.018 0.000 1.092 456 N HN 0.186 nan 8.380 nan 0.000 0.448 457 V N 3.308 123.305 119.914 0.137 0.000 2.971 457 V HA 0.367 4.486 4.120 -0.001 0.000 0.309 457 V C -2.392 173.815 176.094 0.188 0.000 1.130 457 V CA -1.901 60.490 62.300 0.151 0.000 0.964 457 V CB 2.579 34.438 31.823 0.059 0.000 1.029 457 V HN 0.524 nan 8.190 nan 0.000 0.427 458 P HA 0.287 nan 4.420 nan 0.000 0.267 458 P C -0.956 176.396 177.300 0.086 0.000 1.209 458 P CA 0.119 63.300 63.100 0.135 0.000 0.763 458 P CB 0.913 32.612 31.700 -0.002 0.000 0.816 459 A N 4.611 127.501 122.820 0.117 0.000 2.288 459 A HA 0.597 4.916 4.320 -0.001 0.000 0.320 459 A C -0.492 177.158 177.584 0.110 0.000 1.217 459 A CA -0.515 51.581 52.037 0.097 0.000 0.840 459 A CB 0.226 19.299 19.000 0.121 0.000 1.179 459 A HN 0.442 nan 8.150 nan 0.000 0.504 460 L N 1.684 122.946 121.223 0.065 0.000 2.481 460 L HA 0.593 4.933 4.340 -0.001 0.000 0.255 460 L C -0.083 176.797 176.870 0.018 0.000 1.192 460 L CA -0.659 54.210 54.840 0.049 0.000 0.924 460 L CB 0.141 42.217 42.059 0.028 0.000 1.179 460 L HN 0.519 nan 8.230 nan 0.000 0.491 461 T N -2.891 111.671 114.554 0.014 0.000 2.876 461 T HA 0.564 4.914 4.350 -0.001 0.000 0.289 461 T C -0.664 173.967 174.700 -0.116 0.000 1.014 461 T CA -0.535 61.525 62.100 -0.068 0.000 0.986 461 T CB 2.390 71.183 68.868 -0.126 0.000 1.021 461 T HN 0.304 nan 8.240 nan 0.000 0.458 462 D N 0.361 120.685 120.400 -0.127 0.000 2.336 462 D HA 0.198 4.838 4.640 -0.001 0.000 0.249 462 D C 0.472 176.663 176.300 -0.182 0.000 1.213 462 D CA -0.100 53.841 54.000 -0.098 0.000 0.870 462 D CB 0.654 41.417 40.800 -0.061 0.000 1.076 462 D HN 0.664 nan 8.370 nan 0.000 0.483 463 H N 2.017 121.028 119.070 -0.099 0.000 2.551 463 H HA 0.288 4.843 4.556 -0.002 0.000 0.266 463 H C 1.403 176.691 175.328 -0.067 0.000 0.977 463 H CA 0.815 56.809 56.048 -0.089 0.000 1.163 463 H CB 0.336 30.006 29.762 -0.154 0.000 1.381 463 H HN 0.682 nan 8.280 nan 0.000 0.581 464 G N -0.326 108.486 108.800 0.020 0.000 2.548 464 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.208 464 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.208 464 G C -0.529 174.370 174.900 -0.002 0.000 1.308 464 G CA -0.416 44.685 45.100 0.002 0.000 0.924 464 G HN 0.233 nan 8.290 nan 0.000 0.540 465 T N 1.046 115.598 114.554 -0.004 0.000 2.756 465 T HA 0.646 4.995 4.350 -0.001 0.000 0.290 465 T C 0.218 174.915 174.700 -0.005 0.000 0.985 465 T CA -0.219 61.878 62.100 -0.005 0.000 0.955 465 T CB 1.194 70.063 68.868 0.002 0.000 0.930 465 T HN 0.622 nan 8.240 nan 0.000 0.451 466 L N 4.816 126.032 121.223 -0.012 0.000 2.330 466 L HA 0.550 4.889 4.340 -0.001 0.000 0.271 466 L C -2.119 174.751 176.870 0.001 0.000 1.013 466 L CA -2.680 52.149 54.840 -0.020 0.000 0.816 466 L CB 1.416 43.447 42.059 -0.047 0.000 1.287 466 L HN 0.336 nan 8.230 nan 0.000 0.435 467 P HA 0.114 nan 4.420 nan 0.000 0.269 467 P C -1.164 176.157 177.300 0.035 0.000 1.209 467 P CA -0.245 62.876 63.100 0.035 0.000 0.776 467 P CB 1.043 32.756 31.700 0.021 0.000 0.876 468 L N 2.590 123.863 121.223 0.084 0.000 2.385 468 L HA 0.437 4.776 4.340 -0.001 0.000 0.273 468 L C 0.249 177.166 176.870 0.078 0.000 0.990 468 L CA -1.074 53.803 54.840 0.061 0.000 0.821 468 L CB 1.407 43.515 42.059 0.081 0.000 1.279 468 L HN 0.331 nan 8.230 nan 0.000 0.412 469 R N 2.420 122.933 120.500 0.023 0.000 2.543 469 R HA 0.151 4.491 4.340 -0.001 0.000 0.277 469 R C 0.020 176.315 176.300 -0.008 0.000 1.074 469 R CA -0.113 56.000 56.100 0.022 0.000 1.076 469 R CB 0.645 30.939 30.300 -0.010 0.000 0.993 469 R HN 0.729 nan 8.270 nan 0.000 0.459 470 N N 0.601 119.307 118.700 0.009 0.000 2.314 470 N HA -0.008 4.731 4.740 -0.001 0.000 0.200 470 N C -1.030 174.439 175.510 -0.069 0.000 1.135 470 N CA -0.080 52.946 53.050 -0.040 0.000 0.835 470 N CB 0.882 39.398 38.487 0.049 0.000 0.989 470 N HN 0.462 nan 8.380 nan 0.000 0.478 471 S N -0.080 115.587 115.700 -0.056 0.000 2.620 471 S HA 0.475 4.944 4.470 -0.001 0.000 0.244 471 S C -0.708 173.858 174.600 -0.057 0.000 1.192 471 S CA -0.918 57.250 58.200 -0.053 0.000 1.148 471 S CB -0.250 62.932 63.200 -0.030 0.000 1.106 471 S HN 0.142 nan 8.310 nan 0.000 0.474 472 I N 2.633 123.161 120.570 -0.071 0.000 2.307 472 I HA 0.524 4.693 4.170 -0.001 0.000 0.289 472 I C 1.100 177.183 176.117 -0.056 0.000 1.021 472 I CA -0.813 60.444 61.300 -0.072 0.000 1.224 472 I CB 1.041 38.984 38.000 -0.096 0.000 1.376 472 I HN 0.771 nan 8.210 nan 0.000 0.470 473 G N 3.607 112.377 108.800 -0.049 0.000 2.484 473 G HA2 0.216 4.175 3.960 -0.001 0.000 0.235 473 G HA3 0.216 4.175 3.960 -0.001 0.000 0.235 473 G C 0.973 175.851 174.900 -0.036 0.000 1.282 473 G CA -0.329 44.748 45.100 -0.038 0.000 0.857 473 G HN 0.918 nan 8.290 nan 0.000 0.571 474 G N -0.656 108.129 108.800 -0.025 0.000 3.234 474 G HA2 0.316 4.275 3.960 -0.001 0.000 0.221 474 G HA3 0.316 4.275 3.960 -0.001 0.000 0.221 474 G C 0.356 175.250 174.900 -0.010 0.000 1.229 474 G CA 0.709 45.795 45.100 -0.024 0.000 0.909 474 G HN 1.369 nan 8.290 nan 0.000 0.510 475 V N -2.909 116.997 119.914 -0.012 0.000 2.666 475 V HA 0.356 4.475 4.120 -0.001 0.000 0.261 475 V C -0.659 175.425 176.094 -0.017 0.000 0.892 475 V CA -1.256 61.045 62.300 0.001 0.000 0.937 475 V CB 0.326 32.154 31.823 0.009 0.000 1.063 475 V HN 0.007 nan 8.190 nan 0.000 0.494 476 Q N 1.803 121.587 119.800 -0.027 0.000 2.299 476 Q HA 0.523 4.863 4.340 -0.001 0.000 0.246 476 Q C -0.340 175.614 176.000 -0.077 0.000 0.935 476 Q CA -0.101 55.666 55.803 -0.061 0.000 0.887 476 Q CB 2.350 31.046 28.738 -0.070 0.000 1.223 476 Q HN 0.709 nan 8.270 nan 0.000 0.439 477 R N 0.689 121.127 120.500 -0.103 0.000 2.338 477 R HA 0.478 4.818 4.340 -0.001 0.000 0.317 477 R C -1.096 175.111 176.300 -0.155 0.000 0.968 477 R CA -0.380 55.658 56.100 -0.103 0.000 0.849 477 R CB 1.042 31.327 30.300 -0.024 0.000 1.128 477 R HN 0.311 nan 8.270 nan 0.000 0.448 478 V N 2.935 122.644 119.914 -0.342 0.000 2.435 478 V HA 0.506 4.625 4.120 -0.001 0.000 0.290 478 V C -0.256 175.729 176.094 -0.182 0.000 1.030 478 V CA -0.600 61.476 62.300 -0.373 0.000 0.881 478 V CB 1.925 33.171 31.823 -0.963 0.000 0.983 478 V HN 0.776 nan 8.190 nan 0.000 0.445 479 T N 5.796 120.350 114.554 -0.001 0.000 3.031 479 T HA 0.458 4.807 4.350 -0.001 0.000 0.305 479 T C -0.616 174.041 174.700 -0.073 0.000 0.985 479 T CA -0.271 61.842 62.100 0.022 0.000 1.008 479 T CB 0.845 69.791 68.868 0.131 0.000 1.005 479 T HN 0.412 nan 8.240 nan 0.000 0.444 480 I N 4.413 124.875 120.570 -0.180 0.000 2.282 480 I HA 0.267 4.436 4.170 -0.001 0.000 0.290 480 I C 1.186 177.209 176.117 -0.156 0.000 1.090 480 I CA -0.729 60.377 61.300 -0.324 0.000 1.231 480 I CB -0.736 36.990 38.000 -0.457 0.000 1.434 480 I HN 0.569 nan 8.210 nan 0.000 0.487 481 T N 2.438 116.956 114.554 -0.060 0.000 2.847 481 T HA 0.441 4.790 4.350 -0.001 0.000 0.279 481 T C 0.145 174.869 174.700 0.040 0.000 0.984 481 T CA -0.773 61.334 62.100 0.011 0.000 0.988 481 T CB 1.832 70.768 68.868 0.115 0.000 1.040 481 T HN 0.596 nan 8.240 nan 0.000 0.528 482 D N -0.325 120.090 120.400 0.024 0.000 2.567 482 D HA 0.396 5.036 4.640 -0.001 0.000 0.275 482 D C 1.275 177.491 176.300 -0.141 0.000 1.195 482 D CA -0.754 53.228 54.000 -0.030 0.000 1.087 482 D CB 0.639 41.494 40.800 0.091 0.000 1.165 482 D HN 0.585 nan 8.370 nan 0.000 0.609 483 A N -0.868 121.813 122.820 -0.232 0.000 2.216 483 A HA -0.059 4.261 4.320 -0.001 0.000 0.214 483 A C 1.528 179.083 177.584 -0.048 0.000 1.160 483 A CA 0.649 52.512 52.037 -0.290 0.000 0.725 483 A CB -0.515 18.349 19.000 -0.227 0.000 0.784 483 A HN 0.433 nan 8.150 nan 0.000 0.472 484 R N -1.255 119.268 120.500 0.039 0.000 2.700 484 R HA 0.247 4.586 4.340 -0.001 0.000 0.399 484 R C -0.324 176.039 176.300 0.105 0.000 1.115 484 R CA -0.427 55.731 56.100 0.097 0.000 1.058 484 R CB 0.111 30.478 30.300 0.111 0.000 1.389 484 R HN 0.414 nan 8.270 nan 0.000 0.582 485 R N 1.708 122.289 120.500 0.134 0.000 3.184 485 R HA -0.201 4.139 4.340 -0.001 0.000 0.242 485 R C -0.646 175.654 176.300 -0.000 0.000 0.907 485 R CA 0.898 57.065 56.100 0.110 0.000 0.618 485 R CB -0.595 29.780 30.300 0.124 0.000 1.016 485 R HN 0.140 nan 8.270 nan 0.000 0.469 486 R N -0.532 119.947 120.500 -0.035 0.000 2.803 486 R HA 0.258 4.597 4.340 -0.001 0.000 0.276 486 R C 0.072 176.223 176.300 -0.248 0.000 0.978 486 R CA -0.738 55.265 56.100 -0.161 0.000 0.939 486 R CB 1.669 31.844 30.300 -0.209 0.000 1.179 486 R HN 0.078 nan 8.270 nan 0.000 0.472 487 T N 0.066 114.444 114.554 -0.293 0.000 2.930 487 T HA 0.010 4.359 4.350 -0.001 0.000 0.306 487 T C -0.052 174.423 174.700 -0.374 0.000 1.045 487 T CA -0.010 61.929 62.100 -0.267 0.000 1.134 487 T CB 0.097 68.835 68.868 -0.217 0.000 0.961 487 T HN 0.563 nan 8.240 nan 0.000 0.545 488 C N 8.850 128.009 119.300 -0.236 0.000 2.265 488 C HA 0.626 5.085 4.460 -0.001 0.000 0.332 488 C C -1.915 172.971 174.990 -0.174 0.000 1.248 488 C CA -1.892 57.025 59.018 -0.169 0.000 1.727 488 C CB 0.139 27.873 27.740 -0.010 0.000 2.348 488 C HN 0.752 nan 8.230 nan 0.000 0.519 489 P HA 0.218 nan 4.420 nan 0.000 0.243 489 P C -0.491 176.420 177.300 -0.649 0.000 1.672 489 P CA 0.398 63.248 63.100 -0.415 0.000 1.000 489 P CB -0.434 30.992 31.700 -0.456 0.000 1.562 490 Y N -1.655 118.585 120.300 -0.100 0.000 2.500 490 Y HA 0.154 4.703 4.550 -0.001 0.000 0.246 490 Y C 0.807 176.668 175.900 -0.065 0.000 1.146 490 Y CA -0.241 57.799 58.100 -0.101 0.000 1.230 490 Y CB 0.881 39.304 38.460 -0.061 0.000 1.214 490 Y HN -0.298 nan 8.280 nan 0.000 0.526 491 V N 1.565 121.491 119.914 0.020 0.000 2.356 491 V HA -0.043 4.076 4.120 -0.001 0.000 0.258 491 V C 0.518 176.699 176.094 0.145 0.000 1.065 491 V CA 0.288 62.635 62.300 0.078 0.000 0.935 491 V CB -0.405 31.446 31.823 0.047 0.000 1.061 491 V HN 0.448 nan 8.190 nan 0.000 0.484 492 Y N 2.692 123.020 120.300 0.046 0.000 2.314 492 Y HA 0.143 4.692 4.550 -0.001 0.000 0.294 492 Y C 1.507 177.247 175.900 -0.266 0.000 1.119 492 Y CA 0.463 58.593 58.100 0.051 0.000 1.179 492 Y CB 0.694 39.193 38.460 0.064 0.000 1.025 492 Y HN 0.374 nan 8.280 nan 0.000 0.541 493 K N 0.698 121.127 120.400 0.049 0.000 2.579 493 K HA 0.572 4.892 4.320 -0.001 0.000 0.250 493 K C -1.477 175.166 176.600 0.071 0.000 0.952 493 K CA -0.412 55.827 56.287 -0.080 0.000 0.857 493 K CB 1.218 33.725 32.500 0.012 0.000 1.123 493 K HN 0.026 nan 8.250 nan 0.000 0.433 494 A N 3.800 126.665 122.820 0.077 0.000 2.355 494 A HA 0.891 5.210 4.320 -0.001 0.000 0.324 494 A C -1.578 176.236 177.584 0.383 0.000 1.117 494 A CA -0.602 51.637 52.037 0.337 0.000 0.785 494 A CB 0.925 20.186 19.000 0.435 0.000 1.254 494 A HN 0.583 nan 8.150 nan 0.000 0.453 495 L N 0.422 121.908 121.223 0.438 0.000 2.469 495 L HA 0.832 5.171 4.340 -0.001 0.000 0.256 495 L C -0.058 176.923 176.870 0.185 0.000 1.006 495 L CA 0.205 55.216 54.840 0.286 0.000 0.832 495 L CB 2.506 44.666 42.059 0.168 0.000 1.421 495 L HN 1.041 nan 8.230 nan 0.000 0.410 496 G N 2.538 111.417 108.800 0.130 0.000 2.741 496 G HA2 0.626 4.585 3.960 -0.001 0.000 0.293 496 G HA3 0.626 4.585 3.960 -0.001 0.000 0.293 496 G C -1.808 173.121 174.900 0.048 0.000 1.457 496 G CA -0.230 44.876 45.100 0.011 0.000 1.098 496 G HN 0.480 nan 8.290 nan 0.000 0.536 497 I N 2.675 123.234 120.570 -0.018 0.000 2.410 497 I HA 0.353 4.522 4.170 -0.001 0.000 0.286 497 I C -0.442 175.601 176.117 -0.123 0.000 1.009 497 I CA -0.932 60.346 61.300 -0.037 0.000 1.111 497 I CB 2.032 40.049 38.000 0.029 0.000 1.262 497 I HN 0.194 nan 8.210 nan 0.000 0.443 498 V N 4.021 123.824 119.914 -0.184 0.000 2.513 498 V HA 0.499 4.618 4.120 -0.001 0.000 0.299 498 V C -0.012 175.965 176.094 -0.194 0.000 1.035 498 V CA -0.618 61.581 62.300 -0.170 0.000 0.889 498 V CB 1.544 33.273 31.823 -0.156 0.000 0.988 498 V HN 0.747 nan 8.190 nan 0.000 0.440 499 S N 5.115 120.738 115.700 -0.128 0.000 2.406 499 S HA 0.402 4.872 4.470 -0.001 0.000 0.224 499 S C -2.606 171.969 174.600 -0.042 0.000 1.426 499 S CA -1.109 57.030 58.200 -0.102 0.000 1.179 499 S CB 0.732 63.890 63.200 -0.070 0.000 1.042 499 S HN 0.687 nan 8.310 nan 0.000 0.479 500 P HA 0.275 nan 4.420 nan 0.000 0.271 500 P C -0.496 176.936 177.300 0.219 0.000 1.216 500 P CA -0.248 62.881 63.100 0.047 0.000 0.776 500 P CB 0.545 32.167 31.700 -0.131 0.000 0.881 501 R N 0.515 121.261 120.500 0.410 0.000 2.663 501 R HA 0.569 4.908 4.340 -0.001 0.000 0.267 501 R C -0.429 175.961 176.300 0.149 0.000 1.038 501 R CA -1.207 55.099 56.100 0.345 0.000 0.886 501 R CB 0.490 30.870 30.300 0.134 0.000 1.249 501 R HN 0.188 nan 8.270 nan 0.000 0.463 502 V N 0.050 119.849 119.914 -0.191 0.000 3.051 502 V HA 0.270 4.389 4.120 -0.001 0.000 0.306 502 V C 0.122 176.059 176.094 -0.262 0.000 1.083 502 V CA -0.403 61.575 62.300 -0.537 0.000 1.104 502 V CB 0.782 32.269 31.823 -0.559 0.000 1.027 502 V HN 0.741 nan 8.190 nan 0.000 0.483 503 L N 1.330 122.392 121.223 -0.269 0.000 3.066 503 L HA 0.326 4.665 4.340 -0.001 0.000 0.272 503 L C 1.041 177.855 176.870 -0.093 0.000 1.101 503 L CA 1.411 56.179 54.840 -0.121 0.000 1.022 503 L CB 0.376 42.409 42.059 -0.042 0.000 1.600 503 L HN 1.121 nan 8.230 nan 0.000 0.559 504 S N -3.404 112.223 115.700 -0.122 0.000 4.078 504 S HA 0.766 5.235 4.470 -0.001 0.000 0.290 504 S C -0.155 174.386 174.600 -0.098 0.000 1.069 504 S CA -0.161 58.005 58.200 -0.057 0.000 1.246 504 S CB 2.029 65.265 63.200 0.059 0.000 1.659 504 S HN -0.124 nan 8.310 nan 0.000 0.624 505 S N -0.895 114.788 115.700 -0.028 0.000 3.003 505 S HA 0.635 5.104 4.470 -0.001 0.000 0.313 505 S C -1.612 173.009 174.600 0.035 0.000 1.230 505 S CA -0.758 57.410 58.200 -0.053 0.000 0.977 505 S CB 1.384 64.556 63.200 -0.047 0.000 1.340 505 S HN 0.620 nan 8.310 nan 0.000 0.608 506 R N 0.989 121.505 120.500 0.026 0.000 2.505 506 R HA 0.636 4.975 4.340 -0.001 0.000 0.284 506 R C -0.379 175.950 176.300 0.049 0.000 1.324 506 R CA 0.691 56.842 56.100 0.085 0.000 1.432 506 R CB 0.403 30.739 30.300 0.061 0.000 1.107 506 R HN 0.891 nan 8.270 nan 0.000 0.587 507 T N 0.000 114.578 114.554 0.041 0.000 3.816 507 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 507 T CA 0.000 nan 62.100 nan 0.000 1.349 507 T CB 0.000 nan 68.868 nan 0.000 0.612 507 T HN 0.000 nan 8.240 nan 0.000 0.658