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 2rgk_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKWFNTLSHN RWLEQETDRI FDFGKNSVVP TGFGWLGNKG QIKEEMGTHL DATA SEQUENCE WITARMLHVY SVAAAMGRPG AYSLVDHGIK AMNGALRDKK YGGWYACVND DATA SEQUENCE EGVVDASKQG YQHFFALLGA ASAVTTGHPE ARKLLDYTIE IIEKYFWSEE DATA SEQUENCE EQMCLESWDE AFSKTEEYRG GNANMHAVEA FLIVYDVTHD KKWLDRAIRV DATA SEQUENCE ASVIIHDVAR NNHYRVNEHF DTQWNPLPDY NKDNPAHRFR AFGGTPGHWI DATA SEQUENCE EWGRLMLHIH AALEARCEQP PAWLLEDAKG LFNATVRDAW APDGADGIVY DATA SEQUENCE TVDWEGKPVV RERVRWPIVE AMGTAYALYT VTGDRQYETW YQTWWEYCIK DATA SEQUENCE YLMDYENGSW WQELDADNKV TTXXXXGKQD IYHLLHCLVI PRIPLAPGMA DATA SEQUENCE PAVAAGLLDI NAK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.184 176.300 -0.193 0.000 1.140 1 M CA 0.000 55.227 55.300 -0.121 0.000 0.988 1 M CB 0.000 32.484 32.600 -0.193 0.000 1.302 2 K N 2.706 123.081 120.400 -0.041 0.000 2.270 2 K HA 0.605 4.925 4.320 0.000 0.000 0.255 2 K C -1.006 175.725 176.600 0.218 0.000 0.936 2 K CA -0.765 55.500 56.287 -0.036 0.000 0.809 2 K CB 1.934 34.451 32.500 0.028 0.000 1.131 2 K HN 0.671 nan 8.250 nan 0.000 0.427 3 W N 0.826 121.974 121.300 -0.252 0.000 3.471 3 W HA 0.273 4.933 4.660 -0.000 0.000 0.230 3 W C -0.137 176.346 176.519 -0.059 0.000 1.105 3 W CA -0.611 56.561 57.345 -0.289 0.000 1.631 3 W CB -0.332 28.706 29.460 -0.704 0.000 0.848 3 W HN 0.394 nan 8.180 nan 0.000 0.766 4 F N 3.058 123.090 119.950 0.137 0.000 2.612 4 F HA -0.023 4.504 4.527 0.000 0.000 0.389 4 F C 1.190 177.116 175.800 0.211 0.000 1.055 4 F CA 0.480 58.560 58.000 0.132 0.000 1.232 4 F CB -0.950 37.967 39.000 -0.138 0.000 1.044 4 F HN 0.157 nan 8.300 nan 0.000 0.560 5 N N -0.969 118.021 118.700 0.483 0.000 2.776 5 N HA -0.178 4.562 4.740 0.000 0.000 0.250 5 N C -0.670 174.996 175.510 0.260 0.000 1.112 5 N CA 0.743 53.995 53.050 0.336 0.000 0.733 5 N CB -1.238 37.436 38.487 0.312 0.000 1.097 5 N HN 0.693 nan 8.380 nan 0.000 0.558 6 T N -2.505 112.213 114.554 0.273 0.000 2.792 6 T HA 0.535 4.885 4.350 0.000 0.000 0.280 6 T C 1.150 175.958 174.700 0.180 0.000 0.990 6 T CA -0.993 61.228 62.100 0.202 0.000 0.960 6 T CB 1.774 70.756 68.868 0.189 0.000 0.939 6 T HN 0.095 nan 8.240 nan 0.000 0.439 7 L N 2.378 123.677 121.223 0.127 0.000 2.079 7 L HA -0.156 4.184 4.340 0.000 0.000 0.210 7 L C 3.065 179.982 176.870 0.078 0.000 1.081 7 L CA 1.757 56.655 54.840 0.096 0.000 0.752 7 L CB -0.681 41.422 42.059 0.073 0.000 0.896 7 L HN 0.929 nan 8.230 nan 0.000 0.433 8 S N -1.177 114.567 115.700 0.073 0.000 2.356 8 S HA -0.307 4.163 4.470 0.000 0.000 0.223 8 S C 1.938 176.565 174.600 0.045 0.000 1.032 8 S CA 1.470 59.696 58.200 0.043 0.000 1.005 8 S CB -0.692 62.518 63.200 0.017 0.000 0.867 8 S HN 0.550 nan 8.310 nan 0.000 0.449 9 H N 2.579 121.621 119.070 -0.046 0.000 2.353 9 H HA 0.072 4.628 4.556 0.000 0.000 0.300 9 H C 1.861 177.232 175.328 0.071 0.000 1.090 9 H CA 2.015 58.005 56.048 -0.098 0.000 1.327 9 H CB -0.672 29.030 29.762 -0.100 0.000 1.383 9 H HN 0.348 nan 8.280 nan 0.000 0.508 10 N N 0.286 118.977 118.700 -0.015 0.000 2.223 10 N HA -0.092 4.648 4.740 0.000 0.000 0.185 10 N C 1.875 177.361 175.510 -0.040 0.000 1.016 10 N CA 0.938 53.965 53.050 -0.038 0.000 0.863 10 N CB -0.191 38.340 38.487 0.073 0.000 0.983 10 N HN 0.401 nan 8.380 nan 0.000 0.429 11 R N -1.080 119.415 120.500 -0.008 0.000 2.092 11 R HA -0.103 4.237 4.340 0.000 0.000 0.231 11 R C 1.885 178.153 176.300 -0.052 0.000 1.119 11 R CA 0.981 57.070 56.100 -0.018 0.000 0.970 11 R CB -0.317 29.985 30.300 0.004 0.000 0.864 11 R HN 0.361 nan 8.270 nan 0.000 0.440 12 W N 1.336 122.509 121.300 -0.213 0.000 2.388 12 W HA -0.109 4.552 4.660 0.000 0.000 0.294 12 W C 1.501 177.863 176.519 -0.261 0.000 1.212 12 W CA 1.123 58.319 57.345 -0.249 0.000 1.271 12 W CB -0.096 29.158 29.460 -0.343 0.000 1.126 12 W HN -0.038 nan 8.180 nan 0.000 0.535 13 L N 0.128 121.294 121.223 -0.095 0.000 2.027 13 L HA -0.197 4.143 4.340 0.000 0.000 0.206 13 L C 2.539 179.287 176.870 -0.203 0.000 1.074 13 L CA 1.996 56.766 54.840 -0.115 0.000 0.745 13 L CB -1.076 40.969 42.059 -0.022 0.000 0.898 13 L HN 0.039 nan 8.230 nan 0.000 0.433 14 E N 0.097 120.206 120.200 -0.151 0.000 2.085 14 E HA -0.283 4.067 4.350 0.000 0.000 0.194 14 E C 2.193 178.680 176.600 -0.189 0.000 0.994 14 E CA 1.369 57.691 56.400 -0.130 0.000 0.801 14 E CB 0.031 29.695 29.700 -0.060 0.000 0.743 14 E HN 0.486 nan 8.360 nan 0.000 0.453 15 Q N -0.132 119.519 119.800 -0.248 0.000 2.124 15 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 15 Q C 2.015 177.814 176.000 -0.335 0.000 0.977 15 Q CA 1.597 57.240 55.803 -0.266 0.000 0.850 15 Q CB -0.028 28.529 28.738 -0.301 0.000 0.901 15 Q HN 0.186 nan 8.270 nan 0.000 0.429 16 E N -0.027 119.864 120.200 -0.514 0.000 2.158 16 E HA -0.101 4.249 4.350 0.000 0.000 0.191 16 E C 1.663 178.088 176.600 -0.291 0.000 0.982 16 E CA 1.514 57.642 56.400 -0.454 0.000 0.823 16 E CB -0.110 29.174 29.700 -0.692 0.000 0.766 16 E HN 0.177 nan 8.360 nan 0.000 0.468 17 T N 0.991 115.350 114.554 -0.324 0.000 2.708 17 T HA -0.141 4.209 4.350 0.000 0.000 0.266 17 T C 1.196 175.561 174.700 -0.558 0.000 1.037 17 T CA 1.461 63.272 62.100 -0.483 0.000 1.146 17 T CB -0.434 68.157 68.868 -0.461 0.000 0.865 17 T HN 0.195 nan 8.240 nan 0.000 0.435 18 D N 0.567 120.814 120.400 -0.256 0.000 2.144 18 D HA -0.060 4.580 4.640 0.000 0.000 0.199 18 D C 2.256 178.558 176.300 0.004 0.000 0.984 18 D CA 0.811 54.798 54.000 -0.021 0.000 0.834 18 D CB -0.263 40.558 40.800 0.033 0.000 0.955 18 D HN 0.286 nan 8.370 nan 0.000 0.465 19 R N 0.182 120.645 120.500 -0.061 0.000 2.096 19 R HA -0.105 4.235 4.340 0.000 0.000 0.235 19 R C 1.975 178.290 176.300 0.025 0.000 1.127 19 R CA 0.780 56.879 56.100 -0.001 0.000 0.968 19 R CB 0.009 30.295 30.300 -0.024 0.000 0.861 19 R HN 0.102 nan 8.270 nan 0.000 0.440 20 I N 0.084 120.604 120.570 -0.084 0.000 2.353 20 I HA -0.185 3.985 4.170 0.000 0.000 0.248 20 I C 1.864 178.025 176.117 0.074 0.000 1.119 20 I CA 1.037 62.288 61.300 -0.082 0.000 1.417 20 I CB -1.111 36.725 38.000 -0.275 0.000 1.078 20 I HN 0.076 nan 8.210 nan 0.000 0.421 21 F N 1.796 121.767 119.950 0.034 0.000 2.134 21 F HA -0.190 4.337 4.527 0.000 0.000 0.299 21 F C 2.410 178.331 175.800 0.202 0.000 1.097 21 F CA 1.080 59.138 58.000 0.097 0.000 1.264 21 F CB -1.036 38.020 39.000 0.093 0.000 1.001 21 F HN 0.169 nan 8.300 nan 0.000 0.479 22 D N -0.596 120.008 120.400 0.340 0.000 2.117 22 D HA -0.217 4.423 4.640 0.000 0.000 0.197 22 D C 2.226 178.654 176.300 0.214 0.000 0.987 22 D CA 1.021 55.158 54.000 0.228 0.000 0.829 22 D CB -0.844 40.054 40.800 0.164 0.000 0.961 22 D HN 0.234 nan 8.370 nan 0.000 0.460 23 F N 1.700 121.704 119.950 0.089 0.000 2.126 23 F HA -0.114 4.413 4.527 0.000 0.000 0.299 23 F C 2.246 178.093 175.800 0.079 0.000 1.096 23 F CA 1.972 60.007 58.000 0.058 0.000 1.255 23 F CB -0.356 38.659 39.000 0.024 0.000 0.997 23 F HN -0.028 nan 8.300 nan 0.000 0.479 24 G N -0.376 108.571 108.800 0.245 0.000 2.650 24 G HA2 -0.171 3.789 3.960 0.000 0.000 0.214 24 G HA3 -0.171 3.789 3.960 0.000 0.000 0.214 24 G C 1.612 176.581 174.900 0.116 0.000 1.136 24 G CA 0.253 45.459 45.100 0.176 0.000 0.789 24 G HN 0.326 nan 8.290 nan 0.000 0.536 25 K N 0.434 120.880 120.400 0.077 0.000 2.211 25 K HA -0.099 4.221 4.320 0.000 0.000 0.204 25 K C 1.612 178.160 176.600 -0.085 0.000 1.047 25 K CA 1.298 57.549 56.287 -0.060 0.000 0.935 25 K CB -0.083 32.383 32.500 -0.056 0.000 0.728 25 K HN 0.305 nan 8.250 nan 0.000 0.452 26 N N -0.135 118.502 118.700 -0.105 0.000 2.398 26 N HA -0.071 4.669 4.740 0.000 0.000 0.188 26 N C 1.256 176.711 175.510 -0.091 0.000 1.122 26 N CA 0.596 53.573 53.050 -0.120 0.000 0.866 26 N CB 0.372 38.761 38.487 -0.164 0.000 0.970 26 N HN 0.105 nan 8.380 nan 0.000 0.462 27 S N -0.595 115.084 115.700 -0.035 0.000 2.561 27 S HA 0.038 4.508 4.470 0.000 0.000 0.225 27 S C 0.732 175.360 174.600 0.046 0.000 0.977 27 S CA -0.283 57.941 58.200 0.039 0.000 0.926 27 S CB -0.387 62.881 63.200 0.114 0.000 0.769 27 S HN -0.054 nan 8.310 nan 0.000 0.533 28 V N 3.212 123.095 119.914 -0.052 0.000 2.617 28 V HA 0.293 4.413 4.120 0.000 0.000 0.304 28 V C 0.447 176.392 176.094 -0.248 0.000 1.040 28 V CA 0.258 62.367 62.300 -0.320 0.000 1.149 28 V CB 0.187 31.740 31.823 -0.450 0.000 0.914 28 V HN 0.532 nan 8.190 nan 0.000 0.487 29 V N 2.875 122.639 119.914 -0.250 0.000 3.159 29 V HA 0.552 4.672 4.120 0.000 0.000 0.308 29 V C -2.357 173.728 176.094 -0.015 0.000 1.190 29 V CA -1.875 60.363 62.300 -0.103 0.000 1.037 29 V CB 1.630 33.424 31.823 -0.049 0.000 1.060 29 V HN 0.473 nan 8.190 nan 0.000 0.437 30 P HA -0.125 nan 4.420 nan 0.000 0.215 30 P C 1.398 178.679 177.300 -0.032 0.000 1.157 30 P CA 2.751 65.861 63.100 0.017 0.000 0.874 30 P CB -0.079 31.613 31.700 -0.015 0.000 0.790 31 T N -5.023 109.502 114.554 -0.048 0.000 3.169 31 T HA 0.487 4.837 4.350 0.000 0.000 0.250 31 T C 0.947 175.576 174.700 -0.118 0.000 1.111 31 T CA 0.307 62.361 62.100 -0.077 0.000 1.010 31 T CB -0.257 68.592 68.868 -0.032 0.000 0.984 31 T HN 0.306 nan 8.240 nan 0.000 0.537 32 G N 1.009 109.728 108.800 -0.136 0.000 2.249 32 G HA2 0.242 4.202 3.960 0.000 0.000 0.089 32 G HA3 0.242 4.202 3.960 0.000 0.000 0.089 32 G C -1.615 173.054 174.900 -0.385 0.000 1.206 32 G CA -0.991 43.971 45.100 -0.231 0.000 1.190 32 G HN 0.257 nan 8.290 nan 0.000 0.454 33 F N 1.913 121.888 119.950 0.041 0.000 2.495 33 F HA 0.703 5.230 4.527 0.000 0.000 0.327 33 F C 0.995 176.773 175.800 -0.037 0.000 1.103 33 F CA 0.236 58.226 58.000 -0.017 0.000 0.949 33 F CB 2.160 41.127 39.000 -0.056 0.000 1.142 33 F HN 0.736 nan 8.300 nan 0.000 0.457 34 G N 0.690 109.570 108.800 0.134 0.000 2.568 34 G HA2 0.161 4.121 3.960 0.000 0.000 0.293 34 G HA3 0.161 4.121 3.960 0.000 0.000 0.293 34 G C -1.722 173.259 174.900 0.135 0.000 1.347 34 G CA -0.519 44.659 45.100 0.130 0.000 1.039 34 G HN 0.644 nan 8.290 nan 0.000 0.523 35 W N 1.084 122.387 121.300 0.005 0.000 2.357 35 W HA 0.457 5.117 4.660 -0.000 0.000 0.317 35 W C -1.234 175.299 176.519 0.023 0.000 1.101 35 W CA -0.881 56.464 57.345 -0.001 0.000 1.380 35 W CB 0.783 30.259 29.460 0.027 0.000 1.266 35 W HN 0.027 nan 8.180 nan 0.000 0.419 36 L N 5.317 126.620 121.223 0.133 0.000 2.380 36 L HA 0.416 4.756 4.340 0.000 0.000 0.273 36 L C 1.076 178.130 176.870 0.307 0.000 1.138 36 L CA 0.394 55.319 54.840 0.143 0.000 0.832 36 L CB 0.644 42.708 42.059 0.008 0.000 1.124 36 L HN 0.477 nan 8.230 nan 0.000 0.454 37 G N 2.057 111.020 108.800 0.273 0.000 2.537 37 G HA2 0.165 4.125 3.960 0.000 0.000 0.297 37 G HA3 0.165 4.125 3.960 0.000 0.000 0.297 37 G C 0.656 175.750 174.900 0.323 0.000 1.310 37 G CA -0.532 44.753 45.100 0.308 0.000 1.027 37 G HN 0.784 nan 8.290 nan 0.000 0.505 38 N N -0.963 117.918 118.700 0.302 0.000 2.588 38 N HA -0.094 4.646 4.740 0.000 0.000 0.190 38 N C 0.809 176.469 175.510 0.250 0.000 1.094 38 N CA 0.630 53.863 53.050 0.306 0.000 0.921 38 N CB 0.108 38.816 38.487 0.369 0.000 0.959 38 N HN 0.126 nan 8.380 nan 0.000 0.448 39 K N -0.799 119.745 120.400 0.240 0.000 2.536 39 K HA 0.195 4.515 4.320 0.000 0.000 0.203 39 K C 0.501 177.203 176.600 0.170 0.000 1.063 39 K CA -0.013 56.392 56.287 0.198 0.000 1.063 39 K CB 0.886 33.467 32.500 0.135 0.000 0.843 39 K HN 0.075 nan 8.250 nan 0.000 0.521 40 G N 1.383 110.286 108.800 0.171 0.000 2.155 40 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 40 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 40 G C -0.024 174.744 174.900 -0.220 0.000 0.983 40 G CA 0.777 45.658 45.100 -0.365 0.000 0.676 40 G HN 0.348 nan 8.290 nan 0.000 0.528 41 Q N 0.539 120.318 119.800 -0.035 0.000 2.260 41 Q HA 0.607 4.947 4.340 0.000 0.000 0.238 41 Q C 0.259 176.272 176.000 0.022 0.000 0.948 41 Q CA -0.922 54.874 55.803 -0.011 0.000 0.895 41 Q CB 1.176 29.933 28.738 0.031 0.000 1.218 41 Q HN 0.466 nan 8.270 nan 0.000 0.470 42 I N 1.931 122.514 120.570 0.020 0.000 2.471 42 I HA 0.082 4.252 4.170 0.000 0.000 0.286 42 I C 0.568 176.737 176.117 0.086 0.000 1.079 42 I CA -0.111 61.224 61.300 0.059 0.000 1.398 42 I CB 0.515 38.535 38.000 0.032 0.000 1.403 42 I HN 0.382 nan 8.210 nan 0.000 0.530 43 K N 6.812 127.298 120.400 0.143 0.000 2.518 43 K HA 0.029 4.349 4.320 0.000 0.000 0.244 43 K C 1.155 177.792 176.600 0.061 0.000 1.232 43 K CA -0.207 56.136 56.287 0.093 0.000 1.189 43 K CB 0.267 32.816 32.500 0.083 0.000 1.737 43 K HN 0.513 nan 8.250 nan 0.000 0.333 44 E N 1.707 121.936 120.200 0.048 0.000 2.279 44 E HA -0.293 4.057 4.350 0.000 0.000 0.205 44 E C 0.541 177.150 176.600 0.015 0.000 1.028 44 E CA 1.842 58.262 56.400 0.034 0.000 0.830 44 E CB -0.072 29.639 29.700 0.017 0.000 0.736 44 E HN 0.580 nan 8.360 nan 0.000 0.478 45 E N 0.506 120.699 120.200 -0.011 0.000 2.152 45 E HA -0.049 4.301 4.350 0.000 0.000 0.192 45 E C 2.006 178.580 176.600 -0.044 0.000 0.983 45 E CA 1.119 57.499 56.400 -0.034 0.000 0.818 45 E CB -0.316 29.352 29.700 -0.054 0.000 0.758 45 E HN 0.180 nan 8.360 nan 0.000 0.467 46 M N 0.457 120.015 119.600 -0.071 0.000 2.460 46 M HA 0.137 4.617 4.480 0.000 0.000 0.263 46 M C 1.271 177.670 176.300 0.165 0.000 1.071 46 M CA 1.242 56.510 55.300 -0.054 0.000 1.096 46 M CB -1.449 30.959 32.600 -0.320 0.000 1.408 46 M HN 0.245 nan 8.290 nan 0.000 0.463 47 G N 0.371 109.238 108.800 0.111 0.000 2.593 47 G HA2 -0.214 3.746 3.960 0.000 0.000 0.237 47 G HA3 -0.214 3.746 3.960 0.000 0.000 0.237 47 G C -0.402 174.587 174.900 0.149 0.000 1.312 47 G CA -0.136 45.012 45.100 0.080 0.000 0.896 47 G HN 0.317 nan 8.290 nan 0.000 0.574 48 T N 1.227 115.813 114.554 0.053 0.000 2.874 48 T HA 0.583 4.933 4.350 0.000 0.000 0.321 48 T C -0.241 174.461 174.700 0.003 0.000 1.075 48 T CA -0.242 61.897 62.100 0.066 0.000 0.966 48 T CB 0.812 69.695 68.868 0.024 0.000 1.001 48 T HN 0.654 nan 8.240 nan 0.000 0.476 49 H N 1.747 120.805 119.070 -0.019 0.000 2.562 49 H HA 0.284 4.840 4.556 0.000 0.000 0.352 49 H C 1.075 176.308 175.328 -0.158 0.000 1.125 49 H CA -0.877 55.130 56.048 -0.068 0.000 1.379 49 H CB 1.002 30.616 29.762 -0.246 0.000 1.464 49 H HN 0.354 nan 8.280 nan 0.000 0.563 50 L N 3.389 124.647 121.223 0.058 0.000 1.994 50 L HA -0.138 4.202 4.340 0.000 0.000 0.208 50 L C 2.051 178.869 176.870 -0.086 0.000 1.071 50 L CA 1.450 56.276 54.840 -0.022 0.000 0.745 50 L CB -0.670 41.392 42.059 0.004 0.000 0.892 50 L HN 0.833 nan 8.230 nan 0.000 0.431 51 W N -0.036 121.193 121.300 -0.118 0.000 2.338 51 W HA -0.218 4.442 4.660 -0.000 0.000 0.304 51 W C 2.114 178.414 176.519 -0.364 0.000 1.212 51 W CA 1.352 58.528 57.345 -0.282 0.000 1.264 51 W CB -1.494 27.822 29.460 -0.241 0.000 1.142 51 W HN 0.209 nan 8.180 nan 0.000 0.512 52 I N 1.547 121.535 120.570 -0.970 0.000 2.179 52 I HA -0.276 3.894 4.170 0.000 0.000 0.242 52 I C 2.620 178.490 176.117 -0.411 0.000 1.088 52 I CA 2.283 63.046 61.300 -0.895 0.000 1.357 52 I CB -1.029 36.378 38.000 -0.988 0.000 1.051 52 I HN -0.062 nan 8.210 nan 0.000 0.409 53 T N 0.845 115.279 114.554 -0.199 0.000 2.746 53 T HA -0.154 4.196 4.350 0.000 0.000 0.267 53 T C 2.020 176.675 174.700 -0.074 0.000 1.039 53 T CA 1.462 63.606 62.100 0.074 0.000 1.142 53 T CB -0.281 68.645 68.868 0.098 0.000 0.866 53 T HN 0.481 nan 8.240 nan 0.000 0.444 54 A N 1.715 124.420 122.820 -0.191 0.000 1.902 54 A HA -0.100 4.220 4.320 0.000 0.000 0.217 54 A C 2.386 179.842 177.584 -0.214 0.000 1.181 54 A CA 1.340 53.255 52.037 -0.202 0.000 0.623 54 A CB -0.458 18.423 19.000 -0.198 0.000 0.818 54 A HN 0.400 nan 8.150 nan 0.000 0.443 55 R N -1.233 119.052 120.500 -0.358 0.000 2.070 55 R HA -0.104 4.236 4.340 0.000 0.000 0.233 55 R C 2.285 178.449 176.300 -0.226 0.000 1.137 55 R CA 1.630 57.503 56.100 -0.378 0.000 0.945 55 R CB -0.412 29.540 30.300 -0.581 0.000 0.845 55 R HN 0.411 nan 8.270 nan 0.000 0.430 56 M N 0.565 119.935 119.600 -0.383 0.000 2.082 56 M HA -0.174 4.306 4.480 0.000 0.000 0.258 56 M C 2.348 178.421 176.300 -0.378 0.000 1.069 56 M CA 1.324 56.295 55.300 -0.548 0.000 1.102 56 M CB -1.057 30.776 32.600 -1.278 0.000 1.336 56 M HN 0.166 nan 8.290 nan 0.000 0.404 57 L N -0.071 120.992 121.223 -0.266 0.000 2.079 57 L HA -0.232 4.108 4.340 0.000 0.000 0.210 57 L C 2.511 179.362 176.870 -0.031 0.000 1.081 57 L CA 2.325 57.130 54.840 -0.059 0.000 0.752 57 L CB -1.156 40.895 42.059 -0.014 0.000 0.896 57 L HN 0.453 nan 8.230 nan 0.000 0.433 58 H N -1.507 117.488 119.070 -0.124 0.000 2.326 58 H HA -0.079 4.477 4.556 -0.000 0.000 0.301 58 H C 2.008 177.283 175.328 -0.088 0.000 1.081 58 H CA 2.103 58.109 56.048 -0.070 0.000 1.334 58 H CB -0.402 29.342 29.762 -0.030 0.000 1.385 58 H HN 0.145 nan 8.280 nan 0.000 0.504 59 V N 0.218 119.931 119.914 -0.336 0.000 2.332 59 V HA -0.283 3.837 4.120 0.000 0.000 0.248 59 V C 1.879 177.625 176.094 -0.580 0.000 1.055 59 V CA 2.039 64.051 62.300 -0.480 0.000 1.038 59 V CB -0.770 30.760 31.823 -0.489 0.000 0.651 59 V HN 0.492 nan 8.190 nan 0.000 0.450 60 Y N -0.136 120.016 120.300 -0.247 0.000 2.516 60 Y HA -0.032 4.518 4.550 0.000 0.000 0.291 60 Y C 2.687 178.455 175.900 -0.219 0.000 1.131 60 Y CA 0.863 58.789 58.100 -0.290 0.000 1.281 60 Y CB -0.471 37.850 38.460 -0.232 0.000 1.013 60 Y HN 0.141 nan 8.280 nan 0.000 0.554 61 S N -0.685 114.959 115.700 -0.094 0.000 2.383 61 S HA -0.132 4.338 4.470 0.000 0.000 0.227 61 S C 2.198 176.751 174.600 -0.078 0.000 1.026 61 S CA 1.265 59.439 58.200 -0.044 0.000 0.981 61 S CB -0.418 62.759 63.200 -0.038 0.000 0.818 61 S HN 0.233 nan 8.310 nan 0.000 0.472 62 V N 1.817 121.631 119.914 -0.167 0.000 2.379 62 V HA -0.121 3.999 4.120 0.000 0.000 0.245 62 V C 2.605 178.640 176.094 -0.097 0.000 1.044 62 V CA 1.578 63.815 62.300 -0.105 0.000 1.036 62 V CB -1.137 30.623 31.823 -0.105 0.000 0.664 62 V HN 0.517 nan 8.190 nan 0.000 0.453 63 A N 0.090 122.705 122.820 -0.341 0.000 1.933 63 A HA -0.097 4.223 4.320 0.000 0.000 0.218 63 A C 2.396 179.836 177.584 -0.239 0.000 1.175 63 A CA 2.015 53.666 52.037 -0.644 0.000 0.628 63 A CB -0.661 17.454 19.000 -1.475 0.000 0.814 63 A HN 0.559 nan 8.150 nan 0.000 0.444 64 A N -0.227 122.522 122.820 -0.117 0.000 1.930 64 A HA 0.236 4.556 4.320 0.000 0.000 0.217 64 A C 2.399 179.985 177.584 0.003 0.000 1.175 64 A CA 1.742 53.777 52.037 -0.003 0.000 0.627 64 A CB -0.852 18.212 19.000 0.107 0.000 0.815 64 A HN 1.059 nan 8.150 nan 0.000 0.443 65 A N -0.989 121.832 122.820 0.002 0.000 2.119 65 A HA 0.098 4.418 4.320 0.000 0.000 0.217 65 A C 1.938 179.533 177.584 0.019 0.000 1.153 65 A CA 1.221 53.267 52.037 0.014 0.000 0.692 65 A CB -0.500 18.512 19.000 0.020 0.000 0.799 65 A HN 0.515 nan 8.150 nan 0.000 0.458 66 M N -1.212 118.399 119.600 0.019 0.000 2.495 66 M HA 0.171 4.651 4.480 0.000 0.000 0.237 66 M C 1.253 177.573 176.300 0.033 0.000 1.131 66 M CA 0.708 56.036 55.300 0.047 0.000 1.032 66 M CB 0.269 32.934 32.600 0.109 0.000 1.513 66 M HN 0.584 nan 8.290 nan 0.000 0.488 67 G N 1.359 110.165 108.800 0.010 0.000 2.143 67 G HA2 -0.243 3.717 3.960 0.000 0.000 0.248 67 G HA3 -0.243 3.717 3.960 0.000 0.000 0.248 67 G C -0.230 174.673 174.900 0.005 0.000 0.991 67 G CA -0.152 44.951 45.100 0.004 0.000 0.689 67 G HN 0.332 nan 8.290 nan 0.000 0.522 68 R N 1.422 121.920 120.500 -0.004 0.000 2.210 68 R HA 0.472 4.812 4.340 0.000 0.000 0.338 68 R C -1.872 174.423 176.300 -0.008 0.000 1.062 68 R CA -1.980 54.118 56.100 -0.003 0.000 0.902 68 R CB 0.660 30.947 30.300 -0.022 0.000 1.050 68 R HN 0.230 nan 8.270 nan 0.000 0.461 69 P HA 0.119 nan 4.420 nan 0.000 0.268 69 P C 0.485 177.783 177.300 -0.004 0.000 1.205 69 P CA 0.345 63.447 63.100 0.003 0.000 0.771 69 P CB 1.194 32.894 31.700 0.000 0.000 0.858 70 G N 2.046 110.849 108.800 0.004 0.000 2.313 70 G HA2 -0.306 3.654 3.960 0.000 0.000 0.215 70 G HA3 -0.306 3.654 3.960 0.000 0.000 0.215 70 G C 1.179 176.041 174.900 -0.062 0.000 1.023 70 G CA 0.650 45.731 45.100 -0.032 0.000 0.626 70 G HN 0.680 nan 8.290 nan 0.000 0.503 71 A N -0.129 122.667 122.820 -0.039 0.000 1.883 71 A HA 0.087 4.407 4.320 0.000 0.000 0.217 71 A C 2.024 179.635 177.584 0.044 0.000 1.186 71 A CA 2.401 54.423 52.037 -0.026 0.000 0.624 71 A CB -0.705 18.283 19.000 -0.020 0.000 0.822 71 A HN 1.253 nan 8.150 nan 0.000 0.444 72 Y N 1.247 121.534 120.300 -0.021 0.000 2.274 72 Y HA -0.173 4.377 4.550 -0.000 0.000 0.290 72 Y C 2.701 178.627 175.900 0.044 0.000 1.145 72 Y CA 1.512 59.627 58.100 0.025 0.000 1.203 72 Y CB -0.266 38.206 38.460 0.020 0.000 0.984 72 Y HN 0.307 nan 8.280 nan 0.000 0.533 73 S N -0.024 115.702 115.700 0.044 0.000 2.402 73 S HA -0.115 4.355 4.470 0.000 0.000 0.229 73 S C 1.982 176.548 174.600 -0.057 0.000 1.021 73 S CA 1.281 59.469 58.200 -0.021 0.000 0.974 73 S CB -0.328 62.868 63.200 -0.007 0.000 0.800 73 S HN 0.441 nan 8.310 nan 0.000 0.484 74 L N 0.714 121.884 121.223 -0.088 0.000 2.179 74 L HA 0.001 4.341 4.340 0.000 0.000 0.208 74 L C 2.238 179.178 176.870 0.117 0.000 1.096 74 L CA 0.665 55.491 54.840 -0.023 0.000 0.779 74 L CB -0.616 41.246 42.059 -0.327 0.000 0.922 74 L HN 0.205 nan 8.230 nan 0.000 0.443 75 V N 0.372 120.282 119.914 -0.006 0.000 2.343 75 V HA -0.321 3.799 4.120 0.000 0.000 0.247 75 V C 2.207 178.206 176.094 -0.158 0.000 1.051 75 V CA 2.250 64.519 62.300 -0.052 0.000 1.036 75 V CB -0.414 31.341 31.823 -0.113 0.000 0.654 75 V HN 0.485 nan 8.190 nan 0.000 0.451 76 D N -0.903 119.363 120.400 -0.223 0.000 2.117 76 D HA -0.263 4.377 4.640 0.000 0.000 0.197 76 D C 2.188 178.431 176.300 -0.095 0.000 0.987 76 D CA 1.571 55.462 54.000 -0.181 0.000 0.829 76 D CB -0.240 40.523 40.800 -0.062 0.000 0.961 76 D HN 0.578 nan 8.370 nan 0.000 0.460 77 H N -0.462 118.537 119.070 -0.118 0.000 2.353 77 H HA -0.053 4.503 4.556 0.000 0.000 0.300 77 H C 2.019 177.267 175.328 -0.134 0.000 1.090 77 H CA 1.791 57.751 56.048 -0.146 0.000 1.327 77 H CB -0.410 29.227 29.762 -0.207 0.000 1.383 77 H HN 0.297 nan 8.280 nan 0.000 0.508 78 G N 1.177 110.041 108.800 0.106 0.000 2.446 78 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 78 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 78 G C 2.011 176.870 174.900 -0.068 0.000 1.168 78 G CA 0.937 46.137 45.100 0.167 0.000 0.771 78 G HN 0.421 nan 8.290 nan 0.000 0.551 79 I N 0.279 120.760 120.570 -0.148 0.000 2.286 79 I HA -0.138 4.032 4.170 0.000 0.000 0.248 79 I C 2.757 178.781 176.117 -0.155 0.000 1.115 79 I CA 1.142 62.327 61.300 -0.192 0.000 1.392 79 I CB -0.112 37.667 38.000 -0.368 0.000 1.065 79 I HN 0.130 nan 8.210 nan 0.000 0.418 80 K N 0.743 121.032 120.400 -0.185 0.000 2.211 80 K HA -0.067 4.253 4.320 0.000 0.000 0.203 80 K C 2.215 178.707 176.600 -0.179 0.000 1.050 80 K CA 1.223 57.411 56.287 -0.165 0.000 0.945 80 K CB -0.142 32.248 32.500 -0.184 0.000 0.732 80 K HN 0.298 nan 8.250 nan 0.000 0.451 81 A N 1.080 123.749 122.820 -0.253 0.000 1.897 81 A HA -0.098 4.222 4.320 0.000 0.000 0.215 81 A C 1.977 179.523 177.584 -0.063 0.000 1.181 81 A CA 1.104 53.014 52.037 -0.212 0.000 0.620 81 A CB -0.218 18.612 19.000 -0.284 0.000 0.821 81 A HN 0.106 nan 8.150 nan 0.000 0.443 82 M N 0.007 119.572 119.600 -0.059 0.000 2.549 82 M HA -0.023 4.457 4.480 0.000 0.000 0.260 82 M C 0.800 177.262 176.300 0.270 0.000 1.076 82 M CA 0.917 56.235 55.300 0.030 0.000 1.090 82 M CB -1.526 31.006 32.600 -0.113 0.000 1.418 82 M HN 0.529 nan 8.290 nan 0.000 0.486 83 N N -0.721 118.032 118.700 0.087 0.000 2.184 83 N HA 0.165 4.905 4.740 0.000 0.000 0.206 83 N C 1.145 176.661 175.510 0.010 0.000 1.151 83 N CA -0.136 52.935 53.050 0.036 0.000 0.878 83 N CB 0.877 39.349 38.487 -0.024 0.000 1.014 83 N HN 0.287 nan 8.380 nan 0.000 0.512 84 G N 0.192 109.007 108.800 0.026 0.000 3.410 84 G HA2 0.456 4.416 3.960 0.000 0.000 0.189 84 G HA3 0.456 4.416 3.960 0.000 0.000 0.189 84 G C 1.084 176.023 174.900 0.066 0.000 1.404 84 G CA 0.358 45.465 45.100 0.011 0.000 0.898 84 G HN 0.114 nan 8.290 nan 0.000 0.650 85 A N -0.233 122.621 122.820 0.057 0.000 1.884 85 A HA -0.097 4.223 4.320 0.000 0.000 0.219 85 A C 2.480 180.206 177.584 0.237 0.000 1.197 85 A CA 1.993 54.094 52.037 0.107 0.000 0.637 85 A CB -0.905 18.126 19.000 0.051 0.000 0.827 85 A HN 0.416 nan 8.150 nan 0.000 0.450 86 L N -1.140 120.226 121.223 0.237 0.000 2.187 86 L HA -0.125 4.215 4.340 0.000 0.000 0.213 86 L C 1.742 178.870 176.870 0.429 0.000 1.100 86 L CA 0.719 55.782 54.840 0.372 0.000 0.765 86 L CB -0.324 41.899 42.059 0.274 0.000 0.904 86 L HN 0.381 nan 8.230 nan 0.000 0.437 87 R N 1.140 121.823 120.500 0.305 0.000 2.298 87 R HA 0.004 4.344 4.340 0.000 0.000 0.310 87 R C -0.301 175.886 176.300 -0.189 0.000 1.068 87 R CA -0.383 55.674 56.100 -0.072 0.000 0.957 87 R CB 0.521 30.754 30.300 -0.111 0.000 1.003 87 R HN -0.107 nan 8.270 nan 0.000 0.454 88 D N 4.094 124.194 120.400 -0.501 0.000 2.402 88 D HA 0.038 4.678 4.640 0.000 0.000 0.235 88 D C -0.020 176.181 176.300 -0.165 0.000 1.226 88 D CA -0.081 53.655 54.000 -0.440 0.000 0.918 88 D CB 1.019 41.451 40.800 -0.614 0.000 1.043 88 D HN 0.406 nan 8.370 nan 0.000 0.506 89 K N 2.534 122.892 120.400 -0.071 0.000 2.362 89 K HA -0.097 4.223 4.320 0.000 0.000 0.200 89 K C 1.706 178.249 176.600 -0.094 0.000 1.046 89 K CA 0.703 56.943 56.287 -0.079 0.000 0.952 89 K CB 0.201 32.671 32.500 -0.050 0.000 0.753 89 K HN 0.320 nan 8.250 nan 0.000 0.466 90 K N -0.785 119.537 120.400 -0.131 0.000 2.099 90 K HA -0.021 4.299 4.320 0.000 0.000 0.203 90 K C 0.870 177.255 176.600 -0.360 0.000 1.047 90 K CA 1.019 57.123 56.287 -0.305 0.000 0.963 90 K CB 0.118 32.329 32.500 -0.482 0.000 0.759 90 K HN 0.076 nan 8.250 nan 0.000 0.451 91 Y N -0.219 120.096 120.300 0.025 0.000 2.442 91 Y HA 0.331 4.881 4.550 0.000 0.000 0.250 91 Y C 0.670 176.616 175.900 0.077 0.000 1.113 91 Y CA 0.197 58.336 58.100 0.064 0.000 1.273 91 Y CB 1.159 39.675 38.460 0.094 0.000 1.138 91 Y HN 0.317 nan 8.280 nan 0.000 0.522 92 G N -0.300 108.573 108.800 0.122 0.000 2.707 92 G HA2 0.352 4.312 3.960 0.000 0.000 0.686 92 G HA3 0.352 4.312 3.960 0.000 0.000 0.686 92 G C 0.189 175.122 174.900 0.055 0.000 1.315 92 G CA -0.512 44.628 45.100 0.067 0.000 0.832 92 G HN 1.094 nan 8.290 nan 0.000 0.573 93 G N -0.927 107.780 108.800 -0.155 0.000 2.693 93 G HA2 0.114 4.074 3.960 0.000 0.000 0.226 93 G HA3 0.114 4.074 3.960 0.000 0.000 0.226 93 G C -0.018 174.579 174.900 -0.505 0.000 1.354 93 G CA 0.444 45.454 45.100 -0.149 0.000 0.873 93 G HN 1.822 nan 8.290 nan 0.000 0.562 94 W N -0.789 120.683 121.300 0.287 0.000 2.883 94 W HA 0.548 5.208 4.660 0.000 0.000 0.335 94 W C -0.564 175.914 176.519 -0.068 0.000 1.083 94 W CA -1.145 56.160 57.345 -0.065 0.000 1.233 94 W CB 1.323 30.709 29.460 -0.124 0.000 1.412 94 W HN 0.519 nan 8.180 nan 0.000 0.490 95 Y N 0.924 121.387 120.300 0.271 0.000 2.457 95 Y HA 0.127 4.677 4.550 -0.000 0.000 0.341 95 Y C 1.469 177.460 175.900 0.151 0.000 1.240 95 Y CA 0.643 58.847 58.100 0.173 0.000 1.437 95 Y CB 0.281 38.808 38.460 0.112 0.000 1.328 95 Y HN 0.562 nan 8.280 nan 0.000 0.588 96 A N 1.028 124.025 122.820 0.295 0.000 2.015 96 A HA 0.024 4.344 4.320 0.000 0.000 0.219 96 A C 0.657 178.326 177.584 0.142 0.000 1.163 96 A CA 1.304 53.473 52.037 0.220 0.000 0.646 96 A CB -0.264 18.874 19.000 0.230 0.000 0.806 96 A HN 0.703 nan 8.150 nan 0.000 0.448 97 C N -1.146 118.206 119.300 0.086 0.000 3.090 97 C HA 0.580 5.040 4.460 0.000 0.000 0.347 97 C C -0.982 173.980 174.990 -0.047 0.000 1.147 97 C CA -0.152 58.816 59.018 -0.083 0.000 1.305 97 C CB 0.850 28.406 27.740 -0.306 0.000 1.692 97 C HN 1.091 nan 8.230 nan 0.000 0.506 98 V N 3.198 123.079 119.914 -0.054 0.000 3.206 98 V HA 0.931 5.051 4.120 0.000 0.000 0.305 98 V C -1.056 175.012 176.094 -0.043 0.000 1.257 98 V CA -0.457 61.812 62.300 -0.052 0.000 1.057 98 V CB 2.071 33.889 31.823 -0.008 0.000 1.075 98 V HN 1.221 nan 8.190 nan 0.000 0.443 99 N N -1.539 117.135 118.700 -0.043 0.000 3.204 99 N HA 0.437 5.177 4.740 0.000 0.000 0.285 99 N C -0.070 175.423 175.510 -0.029 0.000 1.536 99 N CA -0.310 52.723 53.050 -0.028 0.000 0.832 99 N CB 0.518 38.989 38.487 -0.027 0.000 1.645 99 N HN 0.523 nan 8.380 nan 0.000 0.586 100 D N -0.735 119.651 120.400 -0.023 0.000 2.378 100 D HA -0.057 4.583 4.640 0.000 0.000 0.222 100 D C 0.110 176.393 176.300 -0.027 0.000 0.980 100 D CA 1.092 55.078 54.000 -0.023 0.000 0.907 100 D CB 0.203 40.991 40.800 -0.019 0.000 0.899 100 D HN 0.512 nan 8.370 nan 0.000 0.527 101 E N -0.465 119.716 120.200 -0.032 0.000 2.340 101 E HA 0.278 4.628 4.350 0.000 0.000 0.198 101 E C 1.023 177.595 176.600 -0.047 0.000 0.961 101 E CA 0.147 56.526 56.400 -0.035 0.000 0.905 101 E CB 1.034 30.714 29.700 -0.033 0.000 0.884 101 E HN 0.226 nan 8.360 nan 0.000 0.491 102 G N -0.993 107.770 108.800 -0.062 0.000 2.398 102 G HA2 0.066 4.026 3.960 0.000 0.000 0.251 102 G HA3 0.066 4.026 3.960 0.000 0.000 0.251 102 G C -1.443 173.372 174.900 -0.142 0.000 1.277 102 G CA -0.561 44.483 45.100 -0.095 0.000 0.927 102 G HN -0.096 nan 8.290 nan 0.000 0.477 103 V N 1.465 121.245 119.914 -0.224 0.000 2.455 103 V HA 0.327 4.447 4.120 0.000 0.000 0.273 103 V C 1.416 177.404 176.094 -0.177 0.000 1.045 103 V CA -0.062 62.050 62.300 -0.313 0.000 0.976 103 V CB 1.035 32.505 31.823 -0.590 0.000 0.993 103 V HN 0.647 nan 8.190 nan 0.000 0.475 104 V N 2.502 122.339 119.914 -0.128 0.000 2.599 104 V HA 0.102 4.222 4.120 0.000 0.000 0.245 104 V C 0.600 176.663 176.094 -0.052 0.000 1.046 104 V CA 1.213 63.465 62.300 -0.080 0.000 1.065 104 V CB -0.011 31.765 31.823 -0.077 0.000 0.703 104 V HN 0.964 nan 8.190 nan 0.000 0.464 105 D N -0.709 119.670 120.400 -0.034 0.000 2.479 105 D HA 0.464 5.104 4.640 0.000 0.000 0.246 105 D C 0.375 176.731 176.300 0.094 0.000 1.336 105 D CA 0.159 54.177 54.000 0.030 0.000 0.967 105 D CB 1.748 42.583 40.800 0.059 0.000 1.275 105 D HN 0.081 nan 8.370 nan 0.000 0.577 106 A N 2.655 125.533 122.820 0.096 0.000 2.238 106 A HA 0.162 4.482 4.320 0.000 0.000 0.208 106 A C 1.043 178.773 177.584 0.242 0.000 1.177 106 A CA 0.290 52.474 52.037 0.246 0.000 0.804 106 A CB -0.392 18.704 19.000 0.161 0.000 0.823 106 A HN 0.554 nan 8.150 nan 0.000 0.482 107 S N 0.417 116.216 115.700 0.164 0.000 2.576 107 S HA 0.280 4.750 4.470 0.000 0.000 0.272 107 S C -0.178 174.536 174.600 0.189 0.000 1.352 107 S CA -0.205 58.078 58.200 0.139 0.000 1.021 107 S CB 0.576 63.864 63.200 0.147 0.000 0.887 107 S HN 0.185 nan 8.310 nan 0.000 0.542 108 K N 2.522 123.022 120.400 0.167 0.000 2.419 108 K HA 0.279 4.599 4.320 0.000 0.000 0.244 108 K C -0.511 176.408 176.600 0.532 0.000 1.045 108 K CA -0.016 56.472 56.287 0.336 0.000 1.004 108 K CB 0.960 33.415 32.500 -0.076 0.000 1.376 108 K HN 0.707 nan 8.250 nan 0.000 0.460 109 Q N 0.316 120.392 119.800 0.459 0.000 2.279 109 Q HA 0.189 4.529 4.340 0.000 0.000 0.256 109 Q C 1.385 177.506 176.000 0.202 0.000 0.937 109 Q CA -0.197 55.825 55.803 0.366 0.000 0.933 109 Q CB 1.175 30.049 28.738 0.227 0.000 1.189 109 Q HN 0.702 nan 8.270 nan 0.000 0.417 110 G N 2.268 111.209 108.800 0.235 0.000 2.587 110 G HA2 -0.354 3.606 3.960 0.000 0.000 0.217 110 G HA3 -0.354 3.606 3.960 0.000 0.000 0.217 110 G C 1.172 176.086 174.900 0.024 0.000 1.240 110 G CA 1.466 46.488 45.100 -0.129 0.000 0.794 110 G HN 0.907 nan 8.290 nan 0.000 0.580 111 Y N 0.564 121.038 120.300 0.291 0.000 2.241 111 Y HA -0.140 4.410 4.550 0.000 0.000 0.286 111 Y C 2.654 178.684 175.900 0.216 0.000 1.166 111 Y CA 1.927 60.199 58.100 0.287 0.000 1.203 111 Y CB -0.461 38.145 38.460 0.244 0.000 0.977 111 Y HN 0.317 nan 8.280 nan 0.000 0.529 112 Q N -0.399 119.026 119.800 -0.626 0.000 2.123 112 Q HA -0.144 4.196 4.340 0.000 0.000 0.199 112 Q C 1.982 177.852 176.000 -0.216 0.000 0.966 112 Q CA 1.254 56.833 55.803 -0.373 0.000 0.845 112 Q CB -0.312 28.186 28.738 -0.400 0.000 0.907 112 Q HN 0.735 nan 8.270 nan 0.000 0.439 113 H N -0.797 118.088 119.070 -0.309 0.000 2.428 113 H HA -0.058 4.498 4.556 -0.000 0.000 0.296 113 H C 1.644 176.783 175.328 -0.316 0.000 1.062 113 H CA 0.951 56.810 56.048 -0.316 0.000 1.350 113 H CB 0.141 29.510 29.762 -0.655 0.000 1.403 113 H HN 0.221 nan 8.280 nan 0.000 0.533 114 F N -0.413 119.486 119.950 -0.085 0.000 2.325 114 F HA -0.087 4.440 4.527 0.000 0.000 0.299 114 F C 2.104 177.758 175.800 -0.242 0.000 1.090 114 F CA 0.460 58.370 58.000 -0.149 0.000 1.392 114 F CB -0.484 38.385 39.000 -0.217 0.000 1.053 114 F HN 0.018 nan 8.300 nan 0.000 0.521 115 F N -0.036 119.877 119.950 -0.062 0.000 2.325 115 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 115 F C 2.377 178.035 175.800 -0.238 0.000 1.090 115 F CA 0.700 58.576 58.000 -0.207 0.000 1.392 115 F CB -1.029 37.809 39.000 -0.270 0.000 1.053 115 F HN -0.065 nan 8.300 nan 0.000 0.521 116 A N -0.293 122.463 122.820 -0.107 0.000 1.898 116 A HA -0.156 4.164 4.320 0.000 0.000 0.216 116 A C 2.127 179.605 177.584 -0.176 0.000 1.181 116 A CA 1.427 53.279 52.037 -0.308 0.000 0.620 116 A CB -1.068 17.565 19.000 -0.612 0.000 0.819 116 A HN 0.312 nan 8.150 nan 0.000 0.442 117 L N -0.723 120.461 121.223 -0.066 0.000 2.046 117 L HA -0.128 4.212 4.340 0.000 0.000 0.208 117 L C 2.260 179.104 176.870 -0.043 0.000 1.077 117 L CA 1.957 56.790 54.840 -0.013 0.000 0.747 117 L CB -0.587 41.519 42.059 0.078 0.000 0.896 117 L HN 0.388 nan 8.230 nan 0.000 0.432 118 L N -0.255 120.936 121.223 -0.054 0.000 1.976 118 L HA -0.036 4.304 4.340 0.000 0.000 0.209 118 L C 2.386 179.245 176.870 -0.019 0.000 1.071 118 L CA 2.269 57.068 54.840 -0.068 0.000 0.746 118 L CB -1.575 40.406 42.059 -0.131 0.000 0.890 118 L HN 0.288 nan 8.230 nan 0.000 0.432 119 G N -1.037 107.749 108.800 -0.023 0.000 2.476 119 G HA2 -0.317 3.643 3.960 0.000 0.000 0.218 119 G HA3 -0.317 3.643 3.960 0.000 0.000 0.218 119 G C 1.603 176.499 174.900 -0.007 0.000 1.164 119 G CA 1.164 46.271 45.100 0.011 0.000 0.768 119 G HN 0.708 nan 8.290 nan 0.000 0.560 120 A N 1.113 123.905 122.820 -0.046 0.000 1.908 120 A HA 0.226 4.546 4.320 0.000 0.000 0.218 120 A C 2.834 180.411 177.584 -0.012 0.000 1.181 120 A CA 2.463 54.482 52.037 -0.030 0.000 0.627 120 A CB -0.831 18.160 19.000 -0.015 0.000 0.818 120 A HN 0.871 nan 8.150 nan 0.000 0.445 121 A N -0.889 121.918 122.820 -0.020 0.000 1.930 121 A HA -0.026 4.294 4.320 0.000 0.000 0.217 121 A C 2.424 180.015 177.584 0.011 0.000 1.175 121 A CA 1.967 53.987 52.037 -0.028 0.000 0.627 121 A CB -0.744 18.219 19.000 -0.063 0.000 0.815 121 A HN 0.441 nan 8.150 nan 0.000 0.443 122 S N -0.241 115.494 115.700 0.059 0.000 2.406 122 S HA 0.044 4.514 4.470 0.000 0.000 0.228 122 S C 2.257 176.887 174.600 0.049 0.000 1.020 122 S CA 0.929 59.185 58.200 0.092 0.000 0.965 122 S CB -0.351 62.986 63.200 0.230 0.000 0.798 122 S HN 0.770 nan 8.310 nan 0.000 0.488 123 A N 1.100 123.940 122.820 0.033 0.000 1.933 123 A HA -0.052 4.268 4.320 0.000 0.000 0.218 123 A C 2.240 179.853 177.584 0.049 0.000 1.175 123 A CA 1.313 53.361 52.037 0.019 0.000 0.628 123 A CB -0.837 18.146 19.000 -0.029 0.000 0.814 123 A HN 0.346 nan 8.150 nan 0.000 0.444 124 V N 0.830 120.766 119.914 0.037 0.000 2.594 124 V HA -0.231 3.889 4.120 0.000 0.000 0.253 124 V C 2.911 179.035 176.094 0.050 0.000 1.069 124 V CA 2.304 64.631 62.300 0.045 0.000 1.082 124 V CB -1.278 30.554 31.823 0.015 0.000 0.680 124 V HN 0.880 nan 8.190 nan 0.000 0.469 125 T N -1.987 112.592 114.554 0.042 0.000 3.007 125 T HA -0.166 4.184 4.350 0.000 0.000 0.270 125 T C 1.806 176.544 174.700 0.064 0.000 1.107 125 T CA 1.601 63.724 62.100 0.039 0.000 1.118 125 T CB -0.556 68.329 68.868 0.029 0.000 0.889 125 T HN 0.643 nan 8.240 nan 0.000 0.506 126 T N -1.799 112.818 114.554 0.105 0.000 2.985 126 T HA 0.350 4.700 4.350 0.000 0.000 0.266 126 T C 2.061 176.863 174.700 0.170 0.000 1.076 126 T CA 0.924 63.124 62.100 0.166 0.000 1.135 126 T CB -0.750 68.296 68.868 0.297 0.000 0.890 126 T HN 1.038 nan 8.240 nan 0.000 0.480 127 G N 0.925 109.821 108.800 0.159 0.000 2.157 127 G HA2 -0.254 3.706 3.960 0.000 0.000 0.239 127 G HA3 -0.254 3.706 3.960 0.000 0.000 0.239 127 G C 0.002 175.018 174.900 0.194 0.000 0.982 127 G CA 0.133 45.309 45.100 0.128 0.000 0.650 127 G HN 0.924 nan 8.290 nan 0.000 0.527 128 H N 2.628 121.819 119.070 0.202 0.000 3.125 128 H HA 0.106 4.662 4.556 0.000 0.000 0.310 128 H C -0.203 175.189 175.328 0.108 0.000 0.980 128 H CA -0.064 56.109 56.048 0.209 0.000 1.422 128 H CB 1.308 31.114 29.762 0.074 0.000 1.432 128 H HN 0.217 nan 8.280 nan 0.000 0.577 129 P HA -0.165 nan 4.420 nan 0.000 0.220 129 P C 0.467 177.888 177.300 0.202 0.000 1.144 129 P CA 1.207 64.368 63.100 0.101 0.000 0.800 129 P CB 0.518 32.215 31.700 -0.005 0.000 0.772 130 E N -1.154 119.304 120.200 0.429 0.000 2.481 130 E HA 0.208 4.558 4.350 0.000 0.000 0.198 130 E C 1.924 178.596 176.600 0.120 0.000 1.027 130 E CA 0.213 56.750 56.400 0.229 0.000 0.900 130 E CB -0.204 29.612 29.700 0.193 0.000 0.993 130 E HN 0.204 nan 8.360 nan 0.000 0.482 131 A N 1.751 124.657 122.820 0.143 0.000 1.873 131 A HA -0.153 4.167 4.320 0.000 0.000 0.215 131 A C 2.176 179.797 177.584 0.062 0.000 1.186 131 A CA 1.002 53.068 52.037 0.049 0.000 0.616 131 A CB -0.199 18.845 19.000 0.073 0.000 0.823 131 A HN -0.007 nan 8.150 nan 0.000 0.442 132 R N -0.253 120.294 120.500 0.078 0.000 2.091 132 R HA -0.145 4.195 4.340 0.000 0.000 0.238 132 R C 2.136 178.484 176.300 0.081 0.000 1.136 132 R CA 1.885 58.025 56.100 0.066 0.000 0.959 132 R CB -0.485 29.852 30.300 0.062 0.000 0.856 132 R HN 0.494 nan 8.270 nan 0.000 0.437 133 K N 0.827 121.280 120.400 0.088 0.000 2.032 133 K HA -0.151 4.169 4.320 0.000 0.000 0.209 133 K C 2.001 178.687 176.600 0.142 0.000 1.048 133 K CA 1.120 57.468 56.287 0.102 0.000 0.927 133 K CB -0.638 31.911 32.500 0.083 0.000 0.712 133 K HN 0.057 nan 8.250 nan 0.000 0.441 134 L N 0.334 121.632 121.223 0.125 0.000 2.046 134 L HA -0.064 4.276 4.340 0.000 0.000 0.208 134 L C 2.034 179.036 176.870 0.220 0.000 1.077 134 L CA 1.457 56.407 54.840 0.183 0.000 0.747 134 L CB -0.743 41.374 42.059 0.097 0.000 0.896 134 L HN 0.322 nan 8.230 nan 0.000 0.432 135 L N -0.391 120.907 121.223 0.125 0.000 2.012 135 L HA -0.222 4.118 4.340 0.000 0.000 0.210 135 L C 2.079 179.018 176.870 0.115 0.000 1.073 135 L CA 2.026 56.919 54.840 0.087 0.000 0.748 135 L CB -1.095 40.978 42.059 0.024 0.000 0.891 135 L HN 0.314 nan 8.230 nan 0.000 0.431 136 D N -1.407 119.070 120.400 0.128 0.000 2.104 136 D HA -0.271 4.369 4.640 0.000 0.000 0.194 136 D C 2.048 178.441 176.300 0.155 0.000 0.994 136 D CA 1.868 55.947 54.000 0.131 0.000 0.830 136 D CB -0.418 40.455 40.800 0.122 0.000 0.959 136 D HN 0.538 nan 8.370 nan 0.000 0.452 137 Y N 1.697 122.064 120.300 0.112 0.000 2.181 137 Y HA -0.220 4.330 4.550 -0.000 0.000 0.288 137 Y C 2.300 178.309 175.900 0.183 0.000 1.146 137 Y CA 1.870 60.041 58.100 0.119 0.000 1.164 137 Y CB -0.484 38.050 38.460 0.124 0.000 0.982 137 Y HN -0.115 nan 8.280 nan 0.000 0.515 138 T N 1.152 115.847 114.554 0.235 0.000 2.788 138 T HA -0.167 4.183 4.350 0.000 0.000 0.268 138 T C 2.004 176.783 174.700 0.133 0.000 1.044 138 T CA 1.806 64.075 62.100 0.282 0.000 1.139 138 T CB -0.400 68.666 68.868 0.331 0.000 0.867 138 T HN 0.368 nan 8.240 nan 0.000 0.454 139 I N 0.906 121.542 120.570 0.110 0.000 2.226 139 I HA -0.172 3.998 4.170 0.000 0.000 0.245 139 I C 2.655 178.850 176.117 0.130 0.000 1.100 139 I CA 1.367 62.773 61.300 0.176 0.000 1.374 139 I CB -0.324 37.802 38.000 0.210 0.000 1.057 139 I HN 0.341 nan 8.210 nan 0.000 0.413 140 E N 0.702 120.894 120.200 -0.013 0.000 2.038 140 E HA -0.236 4.114 4.350 0.000 0.000 0.195 140 E C 2.251 178.745 176.600 -0.178 0.000 1.000 140 E CA 1.306 57.640 56.400 -0.110 0.000 0.803 140 E CB -0.039 29.545 29.700 -0.193 0.000 0.750 140 E HN 0.344 nan 8.360 nan 0.000 0.448 141 I N 1.243 121.659 120.570 -0.257 0.000 2.264 141 I HA -0.246 3.924 4.170 0.000 0.000 0.248 141 I C 2.329 178.469 176.117 0.037 0.000 1.111 141 I CA 1.061 62.251 61.300 -0.184 0.000 1.382 141 I CB -0.853 37.055 38.000 -0.153 0.000 1.060 141 I HN 0.181 nan 8.210 nan 0.000 0.418 142 I N 0.786 121.463 120.570 0.179 0.000 2.202 142 I HA -0.216 3.954 4.170 0.000 0.000 0.242 142 I C 2.281 178.605 176.117 0.344 0.000 1.091 142 I CA 1.338 62.847 61.300 0.348 0.000 1.368 142 I CB -1.055 37.197 38.000 0.419 0.000 1.058 142 I HN 0.321 nan 8.210 nan 0.000 0.410 143 E N 0.276 120.616 120.200 0.233 0.000 2.418 143 E HA -0.189 4.161 4.350 0.000 0.000 0.197 143 E C 1.933 178.536 176.600 0.004 0.000 1.026 143 E CA 0.449 56.964 56.400 0.191 0.000 0.862 143 E CB 0.151 29.918 29.700 0.112 0.000 0.799 143 E HN 0.432 nan 8.360 nan 0.000 0.518 144 K N -0.410 119.861 120.400 -0.216 0.000 2.287 144 K HA -0.004 4.316 4.320 0.000 0.000 0.199 144 K C 0.759 176.849 176.600 -0.850 0.000 1.061 144 K CA 0.534 56.456 56.287 -0.608 0.000 0.976 144 K CB 0.441 32.373 32.500 -0.946 0.000 0.898 144 K HN 0.018 nan 8.250 nan 0.000 0.492 145 Y N -2.047 118.020 120.300 -0.389 0.000 2.423 145 Y HA 0.248 4.798 4.550 -0.000 0.000 0.257 145 Y C 0.718 176.377 175.900 -0.402 0.000 1.087 145 Y CA -0.372 57.313 58.100 -0.691 0.000 1.258 145 Y CB 0.724 38.263 38.460 -1.536 0.000 1.237 145 Y HN -0.054 nan 8.280 nan 0.000 0.517 146 F N -2.381 117.771 119.950 0.337 0.000 2.752 146 F HA 0.197 4.724 4.527 0.000 0.000 0.310 146 F C 0.513 176.687 175.800 0.624 0.000 1.097 146 F CA -0.526 57.743 58.000 0.448 0.000 1.238 146 F CB 0.452 39.533 39.000 0.135 0.000 1.061 146 F HN -0.002 nan 8.300 nan 0.000 0.591 147 W N 2.432 124.043 121.300 0.519 0.000 2.282 147 W HA 0.448 5.108 4.660 -0.000 0.000 0.322 147 W C -0.194 176.495 176.519 0.282 0.000 1.011 147 W CA -0.904 56.719 57.345 0.464 0.000 1.392 147 W CB 1.257 30.959 29.460 0.404 0.000 1.215 147 W HN -0.237 nan 8.180 nan 0.000 0.394 148 S N 3.831 119.318 115.700 -0.355 0.000 2.481 148 S HA -0.070 4.400 4.470 0.000 0.000 0.282 148 S C 1.186 175.439 174.600 -0.577 0.000 1.243 148 S CA 0.306 58.315 58.200 -0.318 0.000 1.078 148 S CB 0.858 63.956 63.200 -0.170 0.000 0.916 148 S HN 0.739 nan 8.310 nan 0.000 0.495 149 E N 3.379 123.430 120.200 -0.249 0.000 2.106 149 E HA -0.180 4.170 4.350 0.000 0.000 0.192 149 E C 1.718 178.245 176.600 -0.122 0.000 0.984 149 E CA 1.245 57.573 56.400 -0.121 0.000 0.806 149 E CB -0.103 29.600 29.700 0.004 0.000 0.750 149 E HN 0.932 nan 8.360 nan 0.000 0.458 150 E N 0.211 120.349 120.200 -0.104 0.000 2.106 150 E HA -0.199 4.151 4.350 0.000 0.000 0.192 150 E C 1.584 178.124 176.600 -0.100 0.000 0.984 150 E CA 1.140 57.498 56.400 -0.071 0.000 0.806 150 E CB 0.128 29.808 29.700 -0.033 0.000 0.750 150 E HN 0.308 nan 8.360 nan 0.000 0.458 151 E N -0.437 119.670 120.200 -0.155 0.000 2.340 151 E HA -0.020 4.330 4.350 0.000 0.000 0.194 151 E C -0.077 176.331 176.600 -0.320 0.000 0.996 151 E CA 0.018 56.317 56.400 -0.169 0.000 0.869 151 E CB 0.546 30.219 29.700 -0.045 0.000 0.835 151 E HN 0.092 nan 8.360 nan 0.000 0.493 152 Q N -0.226 119.289 119.800 -0.475 0.000 2.468 152 Q HA -0.197 4.143 4.340 0.000 0.000 0.289 152 Q C -0.552 175.051 176.000 -0.660 0.000 1.299 152 Q CA 1.047 56.549 55.803 -0.502 0.000 0.838 152 Q CB -1.116 27.557 28.738 -0.109 0.000 1.195 152 Q HN 0.259 nan 8.270 nan 0.000 0.456 153 M N -1.707 117.326 119.600 -0.946 0.000 2.924 153 M HA 0.387 4.867 4.480 0.000 0.000 0.271 153 M C -0.406 175.755 176.300 -0.233 0.000 1.280 153 M CA -0.601 54.419 55.300 -0.467 0.000 0.813 153 M CB 1.579 33.888 32.600 -0.485 0.000 1.658 153 M HN 0.107 nan 8.290 nan 0.000 0.467 154 C N 1.582 121.056 119.300 0.289 0.000 2.358 154 C HA 0.722 5.182 4.460 0.000 0.000 0.342 154 C C 0.548 175.859 174.990 0.534 0.000 1.234 154 C CA -0.884 58.462 59.018 0.547 0.000 1.969 154 C CB 0.415 28.544 27.740 0.650 0.000 2.346 154 C HN 0.647 nan 8.230 nan 0.000 0.525 155 L N 1.733 123.302 121.223 0.576 0.000 2.466 155 L HA 0.220 4.560 4.340 0.000 0.000 0.257 155 L C 1.439 178.644 176.870 0.558 0.000 1.189 155 L CA 0.014 55.125 54.840 0.452 0.000 0.813 155 L CB 0.512 42.815 42.059 0.406 0.000 1.118 155 L HN 0.755 nan 8.230 nan 0.000 0.471 156 E N 0.784 121.215 120.200 0.385 0.000 2.045 156 E HA -0.005 4.345 4.350 0.000 0.000 0.190 156 E C -0.031 176.889 176.600 0.533 0.000 0.968 156 E CA 0.834 57.504 56.400 0.450 0.000 0.813 156 E CB 0.430 30.376 29.700 0.409 0.000 0.780 156 E HN 0.662 nan 8.360 nan 0.000 0.455 157 S N -2.618 113.320 115.700 0.396 0.000 2.587 157 S HA 0.604 5.074 4.470 0.000 0.000 0.269 157 S C -1.558 173.143 174.600 0.167 0.000 1.154 157 S CA -1.103 57.373 58.200 0.461 0.000 0.824 157 S CB 0.388 63.812 63.200 0.372 0.000 1.118 157 S HN 0.180 nan 8.310 nan 0.000 0.462 158 W N 0.836 122.208 121.300 0.119 0.000 3.032 158 W HA 0.553 5.213 4.660 0.000 0.000 0.341 158 W C -0.468 175.960 176.519 -0.153 0.000 1.202 158 W CA -0.368 56.932 57.345 -0.075 0.000 1.132 158 W CB 0.757 30.060 29.460 -0.262 0.000 1.465 158 W HN 0.863 nan 8.180 nan 0.000 0.576 159 D N 0.013 120.463 120.400 0.083 0.000 2.398 159 D HA 0.005 4.645 4.640 0.000 0.000 0.247 159 D C 0.881 177.058 176.300 -0.206 0.000 1.227 159 D CA -0.237 53.745 54.000 -0.031 0.000 0.980 159 D CB 0.710 41.496 40.800 -0.023 0.000 1.106 159 D HN 0.687 nan 8.370 nan 0.000 0.493 160 E N 0.051 120.159 120.200 -0.153 0.000 2.114 160 E HA -0.257 4.093 4.350 0.000 0.000 0.199 160 E C 1.480 177.796 176.600 -0.473 0.000 1.008 160 E CA 1.538 57.828 56.400 -0.185 0.000 0.810 160 E CB -0.211 29.500 29.700 0.020 0.000 0.739 160 E HN 0.563 nan 8.360 nan 0.000 0.456 161 A N -0.397 122.061 122.820 -0.603 0.000 2.302 161 A HA 0.133 4.453 4.320 0.000 0.000 0.219 161 A C 0.021 177.273 177.584 -0.554 0.000 1.243 161 A CA -0.111 51.271 52.037 -1.092 0.000 0.856 161 A CB -0.452 17.951 19.000 -0.995 0.000 0.893 161 A HN 0.432 nan 8.150 nan 0.000 0.491 162 F N -0.378 119.312 119.950 -0.434 0.000 3.067 162 F HA -0.274 4.253 4.527 -0.000 0.000 0.279 162 F C 1.674 177.392 175.800 -0.136 0.000 0.945 162 F CA 0.940 58.627 58.000 -0.523 0.000 0.948 162 F CB -2.180 36.063 39.000 -1.261 0.000 0.898 162 F HN 0.415 nan 8.300 nan 0.000 0.746 163 S N -1.963 113.855 115.700 0.196 0.000 2.512 163 S HA 0.325 4.795 4.470 0.000 0.000 0.216 163 S C 0.341 175.115 174.600 0.290 0.000 1.006 163 S CA 0.342 58.670 58.200 0.213 0.000 0.915 163 S CB 0.870 64.110 63.200 0.066 0.000 0.824 163 S HN 0.369 nan 8.310 nan 0.000 0.497 164 K N 1.110 121.706 120.400 0.327 0.000 2.589 164 K HA 0.426 4.746 4.320 0.000 0.000 0.253 164 K C -1.192 175.267 176.600 -0.235 0.000 0.974 164 K CA -0.110 56.209 56.287 0.054 0.000 0.835 164 K CB 1.653 34.164 32.500 0.018 0.000 1.272 164 K HN -0.025 nan 8.250 nan 0.000 0.444 165 T N 2.190 116.275 114.554 -0.782 0.000 2.909 165 T HA 0.215 4.565 4.350 0.000 0.000 0.286 165 T C -0.782 173.649 174.700 -0.449 0.000 1.002 165 T CA -0.466 60.955 62.100 -1.131 0.000 1.074 165 T CB 0.613 68.492 68.868 -1.650 0.000 0.984 165 T HN 0.670 nan 8.240 nan 0.000 0.495 166 E N 2.834 122.873 120.200 -0.269 0.000 2.376 166 E HA -0.001 4.349 4.350 0.000 0.000 0.266 166 E C -0.212 176.371 176.600 -0.029 0.000 1.009 166 E CA 0.035 56.398 56.400 -0.062 0.000 0.902 166 E CB 0.411 30.149 29.700 0.064 0.000 0.972 166 E HN 0.587 nan 8.360 nan 0.000 0.439 167 E N 4.440 124.648 120.200 0.013 0.000 2.467 167 E HA 0.036 4.386 4.350 0.000 0.000 0.321 167 E C -1.273 175.398 176.600 0.117 0.000 1.388 167 E CA 0.058 56.471 56.400 0.022 0.000 1.508 167 E CB -0.185 29.529 29.700 0.023 0.000 1.250 167 E HN 0.347 nan 8.360 nan 0.000 0.500 168 Y N 0.013 120.273 120.300 -0.066 0.000 2.521 168 Y HA 0.340 4.890 4.550 -0.000 0.000 0.332 168 Y C -1.578 174.230 175.900 -0.154 0.000 1.121 168 Y CA -1.163 56.895 58.100 -0.070 0.000 1.037 168 Y CB 1.223 39.692 38.460 0.015 0.000 1.330 168 Y HN -0.039 nan 8.280 nan 0.000 0.452 169 R N 3.254 123.158 120.500 -0.993 0.000 2.561 169 R HA 0.739 5.079 4.340 0.000 0.000 0.297 169 R C -0.785 174.902 176.300 -1.022 0.000 0.969 169 R CA -0.753 54.759 56.100 -0.980 0.000 0.879 169 R CB 1.772 31.057 30.300 -1.692 0.000 1.178 169 R HN 0.940 nan 8.270 nan 0.000 0.445 170 G N -0.559 107.996 108.800 -0.407 0.000 2.574 170 G HA2 0.465 4.425 3.960 0.000 0.000 0.299 170 G HA3 0.465 4.425 3.960 0.000 0.000 0.299 170 G C 0.484 175.473 174.900 0.149 0.000 1.298 170 G CA -0.391 44.681 45.100 -0.047 0.000 0.952 170 G HN 0.466 nan 8.290 nan 0.000 0.477 171 G N -0.173 108.767 108.800 0.232 0.000 2.394 171 G HA2 -0.181 3.779 3.960 0.000 0.000 0.215 171 G HA3 -0.181 3.779 3.960 0.000 0.000 0.215 171 G C 1.460 176.480 174.900 0.201 0.000 1.165 171 G CA 1.029 46.316 45.100 0.312 0.000 0.784 171 G HN 0.618 nan 8.290 nan 0.000 0.535 172 N N 1.252 119.965 118.700 0.021 0.000 2.069 172 N HA -0.165 4.575 4.740 0.000 0.000 0.191 172 N C 2.513 177.995 175.510 -0.048 0.000 1.031 172 N CA 1.518 54.457 53.050 -0.185 0.000 0.852 172 N CB -0.179 38.201 38.487 -0.179 0.000 1.018 172 N HN 0.233 nan 8.380 nan 0.000 0.423 173 A N 1.012 123.916 122.820 0.141 0.000 1.877 173 A HA -0.155 4.165 4.320 0.000 0.000 0.216 173 A C 1.990 179.568 177.584 -0.011 0.000 1.186 173 A CA 1.726 53.917 52.037 0.258 0.000 0.620 173 A CB -0.808 18.449 19.000 0.429 0.000 0.822 173 A HN 0.455 nan 8.150 nan 0.000 0.443 174 N N -1.120 117.605 118.700 0.040 0.000 2.309 174 N HA -0.054 4.686 4.740 0.000 0.000 0.182 174 N C 1.673 177.048 175.510 -0.226 0.000 1.018 174 N CA 1.348 54.376 53.050 -0.037 0.000 0.876 174 N CB -0.251 38.381 38.487 0.242 0.000 0.972 174 N HN 0.617 nan 8.380 nan 0.000 0.434 175 M N -0.284 119.099 119.600 -0.362 0.000 2.123 175 M HA -0.117 4.363 4.480 0.000 0.000 0.263 175 M C 1.303 177.070 176.300 -0.889 0.000 1.069 175 M CA 1.482 56.171 55.300 -1.018 0.000 1.133 175 M CB -0.035 31.700 32.600 -1.441 0.000 1.356 175 M HN 0.248 nan 8.290 nan 0.000 0.415 176 H N 0.036 118.743 119.070 -0.605 0.000 2.491 176 H HA 0.023 4.579 4.556 -0.000 0.000 0.290 176 H C 2.042 176.916 175.328 -0.757 0.000 1.050 176 H CA 1.409 57.056 56.048 -0.669 0.000 1.309 176 H CB -0.360 28.933 29.762 -0.780 0.000 1.392 176 H HN 0.528 nan 8.280 nan 0.000 0.554 177 A N 0.518 122.774 122.820 -0.940 0.000 1.873 177 A HA -0.085 4.235 4.320 0.000 0.000 0.215 177 A C 2.802 179.514 177.584 -1.453 0.000 1.186 177 A CA 1.292 52.361 52.037 -1.614 0.000 0.616 177 A CB -0.781 16.961 19.000 -2.097 0.000 0.823 177 A HN 0.202 nan 8.150 nan 0.000 0.442 178 V N 0.454 119.862 119.914 -0.845 0.000 2.332 178 V HA -0.304 3.816 4.120 0.000 0.000 0.248 178 V C 2.593 178.507 176.094 -0.299 0.000 1.055 178 V CA 2.432 64.489 62.300 -0.405 0.000 1.038 178 V CB -0.739 30.948 31.823 -0.226 0.000 0.651 178 V HN 0.831 nan 8.190 nan 0.000 0.450 179 E N 0.490 120.465 120.200 -0.375 0.000 2.058 179 E HA -0.257 4.093 4.350 0.000 0.000 0.194 179 E C 2.169 178.659 176.600 -0.183 0.000 0.997 179 E CA 1.665 57.920 56.400 -0.242 0.000 0.801 179 E CB -0.263 29.303 29.700 -0.223 0.000 0.746 179 E HN 0.552 nan 8.360 nan 0.000 0.450 180 A N 0.285 122.947 122.820 -0.264 0.000 1.930 180 A HA -0.099 4.221 4.320 0.000 0.000 0.217 180 A C 1.867 179.458 177.584 0.012 0.000 1.175 180 A CA 1.004 52.950 52.037 -0.151 0.000 0.627 180 A CB -0.661 18.250 19.000 -0.148 0.000 0.815 180 A HN 0.341 nan 8.150 nan 0.000 0.443 181 F N 0.129 120.045 119.950 -0.056 0.000 2.134 181 F HA -0.086 4.441 4.527 0.000 0.000 0.299 181 F C 2.100 177.926 175.800 0.043 0.000 1.097 181 F CA 0.437 58.443 58.000 0.009 0.000 1.264 181 F CB -1.254 37.813 39.000 0.112 0.000 1.001 181 F HN 0.099 nan 8.300 nan 0.000 0.479 182 L N -0.486 120.864 121.223 0.212 0.000 2.013 182 L HA -0.271 4.069 4.340 0.000 0.000 0.212 182 L C 2.452 179.432 176.870 0.184 0.000 1.073 182 L CA 0.966 55.913 54.840 0.178 0.000 0.753 182 L CB -0.607 41.497 42.059 0.075 0.000 0.890 182 L HN 0.050 nan 8.230 nan 0.000 0.432 183 I N -1.065 119.549 120.570 0.074 0.000 2.286 183 I HA -0.183 3.987 4.170 0.000 0.000 0.245 183 I C 2.573 178.673 176.117 -0.027 0.000 1.104 183 I CA 1.120 62.437 61.300 0.028 0.000 1.397 183 I CB -1.084 36.922 38.000 0.011 0.000 1.072 183 I HN 0.046 nan 8.210 nan 0.000 0.417 184 V N 0.749 120.611 119.914 -0.087 0.000 2.392 184 V HA -0.319 3.801 4.120 0.000 0.000 0.249 184 V C 2.496 178.472 176.094 -0.197 0.000 1.059 184 V CA 1.942 64.069 62.300 -0.288 0.000 1.051 184 V CB -0.998 30.380 31.823 -0.742 0.000 0.658 184 V HN 0.417 nan 8.190 nan 0.000 0.455 185 Y N 1.268 121.501 120.300 -0.112 0.000 2.293 185 Y HA -0.197 4.353 4.550 0.000 0.000 0.291 185 Y C 2.227 178.099 175.900 -0.048 0.000 1.137 185 Y CA 1.800 59.930 58.100 0.049 0.000 1.202 185 Y CB -0.294 38.263 38.460 0.162 0.000 0.990 185 Y HN 0.317 nan 8.280 nan 0.000 0.537 186 D N -0.142 120.140 120.400 -0.196 0.000 2.224 186 D HA -0.100 4.540 4.640 0.000 0.000 0.205 186 D C 1.790 177.813 176.300 -0.463 0.000 0.965 186 D CA 1.702 55.480 54.000 -0.370 0.000 0.852 186 D CB -0.092 40.651 40.800 -0.094 0.000 0.947 186 D HN 0.428 nan 8.370 nan 0.000 0.494 187 V N -1.420 118.316 119.914 -0.297 0.000 3.342 187 V HA 0.283 4.403 4.120 0.000 0.000 0.322 187 V C 1.205 177.174 176.094 -0.208 0.000 1.370 187 V CA 0.887 63.048 62.300 -0.231 0.000 1.170 187 V CB 0.055 31.805 31.823 -0.122 0.000 1.101 187 V HN 0.130 nan 8.190 nan 0.000 0.442 188 T N -5.365 109.031 114.554 -0.263 0.000 3.236 188 T HA 0.169 4.519 4.350 0.000 0.000 0.265 188 T C 0.689 175.368 174.700 -0.035 0.000 0.912 188 T CA 0.744 62.789 62.100 -0.092 0.000 0.946 188 T CB -0.078 68.812 68.868 0.036 0.000 1.241 188 T HN 0.341 nan 8.240 nan 0.000 0.513 189 H N 1.853 120.833 119.070 -0.151 0.000 2.826 189 H HA -0.083 4.473 4.556 -0.000 0.000 0.306 189 H C -0.756 174.602 175.328 0.050 0.000 1.235 189 H CA 1.001 56.927 56.048 -0.204 0.000 1.150 189 H CB -1.738 27.923 29.762 -0.168 0.000 1.409 189 H HN 0.569 nan 8.280 nan 0.000 0.420 190 D N 0.887 121.471 120.400 0.306 0.000 2.443 190 D HA 0.116 4.756 4.640 0.000 0.000 0.221 190 D C 1.388 177.865 176.300 0.295 0.000 1.097 190 D CA -0.334 53.824 54.000 0.263 0.000 0.865 190 D CB 0.506 41.483 40.800 0.296 0.000 1.034 190 D HN 0.364 nan 8.370 nan 0.000 0.511 191 K N 3.991 124.521 120.400 0.216 0.000 2.148 191 K HA -0.295 4.025 4.320 0.000 0.000 0.213 191 K C 1.788 178.381 176.600 -0.012 0.000 1.050 191 K CA 2.122 58.501 56.287 0.153 0.000 0.932 191 K CB 0.072 32.607 32.500 0.059 0.000 0.717 191 K HN 0.443 nan 8.250 nan 0.000 0.462 192 K N -0.743 119.557 120.400 -0.167 0.000 2.113 192 K HA -0.201 4.119 4.320 0.000 0.000 0.208 192 K C 1.798 178.079 176.600 -0.532 0.000 1.047 192 K CA 2.016 58.064 56.287 -0.397 0.000 0.928 192 K CB -0.667 31.482 32.500 -0.584 0.000 0.716 192 K HN 0.352 nan 8.250 nan 0.000 0.446 193 W N 0.888 122.049 121.300 -0.231 0.000 2.388 193 W HA -0.059 4.601 4.660 -0.000 0.000 0.294 193 W C 2.107 178.458 176.519 -0.280 0.000 1.212 193 W CA -0.058 57.071 57.345 -0.361 0.000 1.271 193 W CB -0.267 29.120 29.460 -0.122 0.000 1.126 193 W HN 0.113 nan 8.180 nan 0.000 0.535 194 L N 0.356 121.536 121.223 -0.072 0.000 2.179 194 L HA -0.095 4.245 4.340 0.000 0.000 0.208 194 L C 1.697 178.480 176.870 -0.145 0.000 1.096 194 L CA 1.893 56.583 54.840 -0.250 0.000 0.779 194 L CB -0.790 40.835 42.059 -0.724 0.000 0.922 194 L HN -0.162 nan 8.230 nan 0.000 0.443 195 D N -0.348 119.960 120.400 -0.153 0.000 2.117 195 D HA -0.162 4.478 4.640 0.000 0.000 0.198 195 D C 2.266 178.518 176.300 -0.081 0.000 0.982 195 D CA 1.118 55.055 54.000 -0.105 0.000 0.828 195 D CB -0.028 40.700 40.800 -0.121 0.000 0.967 195 D HN 0.342 nan 8.370 nan 0.000 0.464 196 R N 0.777 121.146 120.500 -0.219 0.000 2.081 196 R HA -0.031 4.309 4.340 0.000 0.000 0.235 196 R C 2.353 178.712 176.300 0.098 0.000 1.131 196 R CA 1.198 57.147 56.100 -0.253 0.000 0.960 196 R CB -0.254 29.450 30.300 -0.994 0.000 0.856 196 R HN 0.086 nan 8.270 nan 0.000 0.436 197 A N 1.479 124.403 122.820 0.174 0.000 1.883 197 A HA -0.169 4.151 4.320 0.000 0.000 0.217 197 A C 2.079 179.797 177.584 0.223 0.000 1.186 197 A CA 1.244 53.450 52.037 0.281 0.000 0.624 197 A CB -0.431 18.698 19.000 0.216 0.000 0.822 197 A HN 0.097 nan 8.150 nan 0.000 0.444 198 I N -0.144 120.517 120.570 0.151 0.000 2.127 198 I HA -0.234 3.936 4.170 0.000 0.000 0.241 198 I C 2.568 178.831 176.117 0.243 0.000 1.075 198 I CA 2.064 63.486 61.300 0.203 0.000 1.334 198 I CB -1.248 36.833 38.000 0.135 0.000 1.040 198 I HN 0.454 nan 8.210 nan 0.000 0.405 199 R N 1.609 122.209 120.500 0.168 0.000 2.097 199 R HA -0.162 4.178 4.340 0.000 0.000 0.236 199 R C 2.158 178.525 176.300 0.112 0.000 1.135 199 R CA 2.239 58.417 56.100 0.130 0.000 0.934 199 R CB -1.231 29.172 30.300 0.172 0.000 0.846 199 R HN 0.184 nan 8.270 nan 0.000 0.431 200 V N 1.131 121.168 119.914 0.205 0.000 2.282 200 V HA -0.253 3.867 4.120 0.000 0.000 0.249 200 V C 2.490 178.654 176.094 0.117 0.000 1.057 200 V CA 2.188 64.586 62.300 0.163 0.000 1.032 200 V CB -1.208 30.802 31.823 0.312 0.000 0.645 200 V HN 0.616 nan 8.190 nan 0.000 0.447 201 A N 0.660 123.639 122.820 0.265 0.000 1.930 201 A HA -0.175 4.145 4.320 0.000 0.000 0.217 201 A C 2.524 180.177 177.584 0.116 0.000 1.175 201 A CA 2.028 54.230 52.037 0.275 0.000 0.627 201 A CB -0.688 18.618 19.000 0.511 0.000 0.815 201 A HN 0.697 nan 8.150 nan 0.000 0.443 202 S N -0.513 115.228 115.700 0.068 0.000 2.402 202 S HA -0.089 4.381 4.470 0.000 0.000 0.229 202 S C 1.711 176.144 174.600 -0.280 0.000 1.021 202 S CA 1.359 59.364 58.200 -0.325 0.000 0.974 202 S CB -0.707 62.286 63.200 -0.345 0.000 0.800 202 S HN 0.222 nan 8.310 nan 0.000 0.484 203 V N 2.117 121.884 119.914 -0.244 0.000 2.249 203 V HA 0.010 4.130 4.120 0.000 0.000 0.239 203 V C 2.490 178.398 176.094 -0.311 0.000 1.038 203 V CA 1.639 63.752 62.300 -0.313 0.000 1.005 203 V CB -0.670 30.881 31.823 -0.454 0.000 0.646 203 V HN 0.443 nan 8.190 nan 0.000 0.455 204 I N -0.374 119.981 120.570 -0.359 0.000 2.286 204 I HA -0.215 3.955 4.170 0.000 0.000 0.248 204 I C 2.113 177.978 176.117 -0.421 0.000 1.115 204 I CA 1.367 62.447 61.300 -0.367 0.000 1.392 204 I CB -0.166 37.541 38.000 -0.488 0.000 1.065 204 I HN 0.265 nan 8.210 nan 0.000 0.418 205 I N -0.624 119.686 120.570 -0.434 0.000 2.962 205 I HA -0.125 4.045 4.170 0.000 0.000 0.246 205 I C 2.520 178.531 176.117 -0.178 0.000 1.091 205 I CA 1.272 62.386 61.300 -0.309 0.000 1.469 205 I CB -1.535 36.359 38.000 -0.177 0.000 1.324 205 I HN 0.165 nan 8.210 nan 0.000 0.461 206 H N 1.621 120.531 119.070 -0.266 0.000 2.387 206 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 206 H C 1.505 176.615 175.328 -0.363 0.000 1.090 206 H CA 2.118 57.947 56.048 -0.365 0.000 1.332 206 H CB 0.180 29.423 29.762 -0.865 0.000 1.386 206 H HN 0.250 nan 8.280 nan 0.000 0.516 207 D N -1.186 118.988 120.400 -0.377 0.000 2.197 207 D HA -0.041 4.599 4.640 0.000 0.000 0.212 207 D C 2.296 178.404 176.300 -0.319 0.000 0.963 207 D CA 1.128 54.913 54.000 -0.359 0.000 0.864 207 D CB -0.219 40.426 40.800 -0.259 0.000 1.009 207 D HN 0.253 nan 8.370 nan 0.000 0.479 208 V N 1.284 121.041 119.914 -0.263 0.000 2.326 208 V HA 0.024 4.144 4.120 0.000 0.000 0.237 208 V C 2.462 178.358 176.094 -0.330 0.000 1.044 208 V CA 1.416 63.576 62.300 -0.234 0.000 1.035 208 V CB -1.030 30.749 31.823 -0.072 0.000 0.675 208 V HN 0.151 nan 8.190 nan 0.000 0.470 209 A N 0.301 122.923 122.820 -0.331 0.000 1.892 209 A HA -0.321 3.999 4.320 0.000 0.000 0.218 209 A C 2.378 179.615 177.584 -0.578 0.000 1.188 209 A CA 2.538 54.337 52.037 -0.396 0.000 0.631 209 A CB -0.764 18.038 19.000 -0.330 0.000 0.822 209 A HN 0.469 nan 8.150 nan 0.000 0.447 210 R N -0.309 119.794 120.500 -0.661 0.000 2.117 210 R HA -0.158 4.182 4.340 0.000 0.000 0.243 210 R C 0.685 176.521 176.300 -0.773 0.000 1.143 210 R CA 1.767 57.268 56.100 -0.998 0.000 0.968 210 R CB -0.262 29.625 30.300 -0.689 0.000 0.863 210 R HN 0.532 nan 8.270 nan 0.000 0.444 211 N N 0.491 118.852 118.700 -0.566 0.000 2.313 211 N HA -0.057 4.683 4.740 0.000 0.000 0.207 211 N C -0.305 174.890 175.510 -0.525 0.000 1.141 211 N CA 0.340 53.101 53.050 -0.481 0.000 0.830 211 N CB 0.413 38.673 38.487 -0.377 0.000 1.008 211 N HN 0.200 nan 8.380 nan 0.000 0.481 212 N N 0.292 118.652 118.700 -0.567 0.000 2.571 212 N HA 0.022 4.762 4.740 0.000 0.000 0.298 212 N C -0.768 174.492 175.510 -0.416 0.000 1.671 212 N CA -0.308 52.425 53.050 -0.529 0.000 0.900 212 N CB -0.327 37.888 38.487 -0.453 0.000 1.365 212 N HN 0.019 nan 8.380 nan 0.000 0.493 213 H N 0.344 119.268 119.070 -0.243 0.000 2.820 213 H HA -0.237 4.319 4.556 0.000 0.000 0.295 213 H C -0.468 174.793 175.328 -0.112 0.000 1.187 213 H CA 1.244 57.215 56.048 -0.128 0.000 1.144 213 H CB -2.015 27.722 29.762 -0.043 0.000 1.354 213 H HN 0.572 nan 8.280 nan 0.000 0.395 214 Y N -2.025 118.146 120.300 -0.215 0.000 3.825 214 Y HA -0.312 4.238 4.550 -0.000 0.000 0.221 214 Y C 0.742 176.232 175.900 -0.683 0.000 1.195 214 Y CA 1.088 59.000 58.100 -0.313 0.000 1.699 214 Y CB -0.942 37.420 38.460 -0.164 0.000 1.531 214 Y HN 0.344 nan 8.280 nan 0.000 0.640 215 R N 0.403 120.532 120.500 -0.618 0.000 2.229 215 R HA 0.478 4.818 4.340 0.000 0.000 0.332 215 R C -0.245 175.708 176.300 -0.578 0.000 0.989 215 R CA -0.839 54.621 56.100 -1.068 0.000 0.842 215 R CB 1.519 31.683 30.300 -0.227 0.000 1.119 215 R HN -0.059 nan 8.270 nan 0.000 0.456 216 V N 3.882 123.372 119.914 -0.706 0.000 2.585 216 V HA -0.049 4.071 4.120 0.000 0.000 0.296 216 V C 0.799 176.991 176.094 0.164 0.000 1.035 216 V CA -0.051 62.170 62.300 -0.132 0.000 1.084 216 V CB 0.639 32.533 31.823 0.117 0.000 0.953 216 V HN 0.678 nan 8.190 nan 0.000 0.483 217 N N 4.463 123.168 118.700 0.008 0.000 2.414 217 N HA 0.104 4.844 4.740 0.000 0.000 0.256 217 N C 0.701 176.173 175.510 -0.065 0.000 1.029 217 N CA -0.395 52.614 53.050 -0.067 0.000 0.948 217 N CB 1.537 39.778 38.487 -0.410 0.000 1.102 217 N HN 0.634 nan 8.380 nan 0.000 0.496 218 E N 1.946 122.049 120.200 -0.162 0.000 2.033 218 E HA -0.032 4.318 4.350 0.000 0.000 0.189 218 E C -0.126 176.279 176.600 -0.325 0.000 0.979 218 E CA 1.166 57.403 56.400 -0.271 0.000 0.802 218 E CB -0.032 29.287 29.700 -0.634 0.000 0.763 218 E HN 0.649 nan 8.360 nan 0.000 0.449 219 H N -0.494 118.477 119.070 -0.165 0.000 2.580 219 H HA 0.314 4.870 4.556 -0.000 0.000 0.322 219 H C -0.321 174.636 175.328 -0.620 0.000 1.082 219 H CA 0.032 55.870 56.048 -0.350 0.000 1.383 219 H CB 0.020 29.552 29.762 -0.382 0.000 1.450 219 H HN -0.119 nan 8.280 nan 0.000 0.505 220 F N 0.935 120.573 119.950 -0.519 0.000 2.599 220 F HA 0.137 4.664 4.527 0.000 0.000 0.311 220 F C 0.350 175.850 175.800 -0.500 0.000 1.076 220 F CA -1.126 56.604 58.000 -0.450 0.000 0.937 220 F CB 1.412 40.050 39.000 -0.604 0.000 1.282 220 F HN 0.467 nan 8.300 nan 0.000 0.460 221 D N -1.053 119.289 120.400 -0.096 0.000 2.478 221 D HA 0.198 4.838 4.640 0.000 0.000 0.269 221 D C 0.943 177.115 176.300 -0.213 0.000 1.232 221 D CA -0.393 53.555 54.000 -0.087 0.000 1.059 221 D CB -0.161 40.642 40.800 0.005 0.000 1.104 221 D HN 0.475 nan 8.370 nan 0.000 0.566 222 T N -0.762 113.712 114.554 -0.133 0.000 2.803 222 T HA -0.177 4.173 4.350 0.000 0.000 0.269 222 T C 1.225 175.851 174.700 -0.123 0.000 1.052 222 T CA 1.432 63.440 62.100 -0.154 0.000 1.136 222 T CB -0.226 68.603 68.868 -0.065 0.000 0.864 222 T HN 0.437 nan 8.240 nan 0.000 0.467 223 Q N -1.034 118.744 119.800 -0.037 0.000 2.222 223 Q HA 0.117 4.457 4.340 0.000 0.000 0.206 223 Q C -0.287 175.836 176.000 0.206 0.000 0.877 223 Q CA -0.400 55.451 55.803 0.080 0.000 0.958 223 Q CB 0.075 28.852 28.738 0.066 0.000 1.075 223 Q HN 0.586 nan 8.270 nan 0.000 0.483 224 W N 0.728 122.029 121.300 0.002 0.000 4.141 224 W HA -0.235 4.425 4.660 -0.000 0.000 0.336 224 W C -0.427 176.219 176.519 0.212 0.000 1.258 224 W CA 0.004 57.370 57.345 0.035 0.000 0.747 224 W CB -2.001 27.380 29.460 -0.133 0.000 2.338 224 W HN 0.177 nan 8.180 nan 0.000 1.410 225 N N 1.093 119.941 118.700 0.246 0.000 2.488 225 N HA 0.244 4.984 4.740 0.000 0.000 0.274 225 N C -2.094 173.474 175.510 0.097 0.000 1.111 225 N CA -1.126 52.019 53.050 0.157 0.000 0.974 225 N CB 0.768 39.294 38.487 0.065 0.000 1.089 225 N HN -0.252 nan 8.380 nan 0.000 0.465 226 P HA 0.128 nan 4.420 nan 0.000 0.269 226 P C -0.232 176.928 177.300 -0.232 0.000 1.209 226 P CA 0.130 62.984 63.100 -0.409 0.000 0.776 226 P CB 0.697 32.148 31.700 -0.415 0.000 0.876 227 L N 4.782 125.869 121.223 -0.226 0.000 2.679 227 L HA 0.265 4.605 4.340 0.000 0.000 0.238 227 L C -1.315 175.643 176.870 0.148 0.000 1.330 227 L CA -1.396 53.467 54.840 0.038 0.000 0.935 227 L CB 1.194 43.372 42.059 0.198 0.000 1.243 227 L HN 0.307 nan 8.230 nan 0.000 0.484 228 P HA -0.161 nan 4.420 nan 0.000 0.223 228 P C 0.303 177.970 177.300 0.611 0.000 1.144 228 P CA 1.166 64.383 63.100 0.195 0.000 0.783 228 P CB 0.428 31.977 31.700 -0.250 0.000 0.771 229 D N -2.049 118.619 120.400 0.445 0.000 2.340 229 D HA 0.023 4.663 4.640 0.000 0.000 0.217 229 D C 0.310 176.866 176.300 0.427 0.000 1.081 229 D CA -0.434 53.851 54.000 0.474 0.000 0.842 229 D CB -0.813 40.138 40.800 0.251 0.000 0.934 229 D HN 0.191 nan 8.370 nan 0.000 0.511 230 Y N 2.035 122.530 120.300 0.325 0.000 2.729 230 Y HA -0.129 4.421 4.550 -0.000 0.000 0.331 230 Y C 0.977 176.992 175.900 0.191 0.000 1.208 230 Y CA 0.742 58.943 58.100 0.168 0.000 1.521 230 Y CB -0.333 38.147 38.460 0.033 0.000 1.233 230 Y HN 0.089 nan 8.280 nan 0.000 0.539 231 N N 2.851 121.486 118.700 -0.109 0.000 2.741 231 N HA -0.344 4.396 4.740 0.000 0.000 0.251 231 N C 1.211 176.712 175.510 -0.015 0.000 1.112 231 N CA 0.910 53.940 53.050 -0.035 0.000 0.750 231 N CB -0.418 38.130 38.487 0.102 0.000 1.119 231 N HN 0.706 nan 8.380 nan 0.000 0.561 232 K N 0.624 120.967 120.400 -0.095 0.000 2.362 232 K HA -0.102 4.218 4.320 0.000 0.000 0.200 232 K C 0.844 177.175 176.600 -0.450 0.000 1.046 232 K CA 1.394 57.316 56.287 -0.609 0.000 0.952 232 K CB 0.180 32.409 32.500 -0.451 0.000 0.753 232 K HN 0.185 nan 8.250 nan 0.000 0.466 233 D N 0.431 120.675 120.400 -0.260 0.000 2.183 233 D HA -0.050 4.590 4.640 0.000 0.000 0.203 233 D C -0.004 176.143 176.300 -0.255 0.000 0.969 233 D CA 0.926 54.795 54.000 -0.218 0.000 0.842 233 D CB 0.202 40.909 40.800 -0.155 0.000 0.957 233 D HN 0.126 nan 8.370 nan 0.000 0.484 234 N N -0.108 118.407 118.700 -0.309 0.000 2.765 234 N HA 0.138 4.878 4.740 0.000 0.000 0.277 234 N C -2.200 173.129 175.510 -0.302 0.000 1.750 234 N CA -0.878 51.895 53.050 -0.462 0.000 0.827 234 N CB 1.907 39.782 38.487 -1.021 0.000 1.200 234 N HN -0.030 nan 8.380 nan 0.000 0.494 235 P HA -0.130 nan 4.420 nan 0.000 0.217 235 P C 1.183 178.538 177.300 0.090 0.000 1.148 235 P CA 1.065 64.157 63.100 -0.014 0.000 0.828 235 P CB 0.455 32.097 31.700 -0.096 0.000 0.783 236 A N -1.914 120.928 122.820 0.036 0.000 2.123 236 A HA -0.072 4.248 4.320 0.000 0.000 0.214 236 A C 0.769 178.494 177.584 0.235 0.000 1.152 236 A CA 0.170 52.278 52.037 0.118 0.000 0.728 236 A CB -1.368 17.683 19.000 0.085 0.000 0.814 236 A HN 0.273 nan 8.150 nan 0.000 0.464 237 H N 0.084 119.221 119.070 0.112 0.000 3.004 237 H HA 0.070 4.626 4.556 0.000 0.000 0.316 237 H C 0.988 176.432 175.328 0.193 0.000 1.014 237 H CA -0.764 55.367 56.048 0.138 0.000 1.454 237 H CB 0.825 30.665 29.762 0.130 0.000 1.472 237 H HN 0.167 nan 8.280 nan 0.000 0.571 238 R N 2.684 123.367 120.500 0.305 0.000 2.075 238 R HA -0.099 4.241 4.340 0.000 0.000 0.232 238 R C 0.454 176.966 176.300 0.353 0.000 1.126 238 R CA 0.574 56.863 56.100 0.315 0.000 0.963 238 R CB -0.415 30.028 30.300 0.237 0.000 0.858 238 R HN 0.426 nan 8.270 nan 0.000 0.435 239 F N 2.712 122.775 119.950 0.189 0.000 2.533 239 F HA 0.055 4.582 4.527 -0.000 0.000 0.378 239 F C 0.480 176.410 175.800 0.216 0.000 1.070 239 F CA -0.086 58.019 58.000 0.175 0.000 1.172 239 F CB 0.194 39.263 39.000 0.116 0.000 1.085 239 F HN 0.109 nan 8.300 nan 0.000 0.552 240 R N 3.359 123.625 120.500 -0.389 0.000 3.264 240 R HA -0.195 4.145 4.340 0.000 0.000 0.251 240 R C 0.077 176.464 176.300 0.146 0.000 0.971 240 R CA 0.273 56.272 56.100 -0.167 0.000 0.658 240 R CB -1.908 28.117 30.300 -0.457 0.000 1.095 240 R HN 0.746 nan 8.270 nan 0.000 0.443 241 A N 1.003 123.958 122.820 0.226 0.000 2.555 241 A HA 0.155 4.475 4.320 0.000 0.000 0.233 241 A C 0.399 178.183 177.584 0.332 0.000 1.060 241 A CA 0.155 52.353 52.037 0.268 0.000 0.759 241 A CB 0.108 19.242 19.000 0.223 0.000 0.995 241 A HN 0.397 nan 8.150 nan 0.000 0.506 242 F N 2.243 122.282 119.950 0.148 0.000 2.444 242 F HA 0.488 5.015 4.527 -0.000 0.000 0.331 242 F C 0.980 176.769 175.800 -0.019 0.000 1.167 242 F CA 0.965 59.046 58.000 0.135 0.000 1.262 242 F CB 0.150 39.176 39.000 0.042 0.000 1.196 242 F HN 1.581 nan 8.300 nan 0.000 0.583 243 G N 2.420 110.348 108.800 -1.453 0.000 2.642 243 G HA2 0.164 4.124 3.960 0.000 0.000 0.231 243 G HA3 0.164 4.124 3.960 0.000 0.000 0.231 243 G C -0.217 174.190 174.900 -0.821 0.000 1.338 243 G CA -0.529 43.536 45.100 -1.724 0.000 0.883 243 G HN 1.534 nan 8.290 nan 0.000 0.570 244 G N -1.481 106.913 108.800 -0.678 0.000 2.410 244 G HA2 0.675 4.635 3.960 0.000 0.000 0.330 244 G HA3 0.675 4.635 3.960 0.000 0.000 0.330 244 G C -0.316 174.448 174.900 -0.226 0.000 1.142 244 G CA 0.634 45.753 45.100 0.031 0.000 0.902 244 G HN 1.140 nan 8.290 nan 0.000 0.491 245 T N 3.605 118.019 114.554 -0.233 0.000 2.963 245 T HA 0.327 4.677 4.350 0.000 0.000 0.343 245 T C -1.687 172.400 174.700 -1.022 0.000 1.146 245 T CA -0.919 60.813 62.100 -0.612 0.000 1.016 245 T CB 1.921 70.546 68.868 -0.406 0.000 1.046 245 T HN 0.203 nan 8.240 nan 0.000 0.496 246 P HA -0.212 nan 4.420 nan 0.000 0.218 246 P C 1.860 178.793 177.300 -0.612 0.000 1.154 246 P CA 1.217 63.417 63.100 -1.499 0.000 0.872 246 P CB 0.055 31.119 31.700 -1.060 0.000 0.790 247 G N -0.935 107.523 108.800 -0.570 0.000 2.476 247 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 247 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 247 G C 1.419 176.458 174.900 0.231 0.000 1.164 247 G CA 1.064 45.971 45.100 -0.322 0.000 0.768 247 G HN 0.329 nan 8.290 nan 0.000 0.560 248 H N -0.554 118.707 119.070 0.318 0.000 2.389 248 H HA -0.039 4.517 4.556 0.000 0.000 0.299 248 H C 2.422 178.089 175.328 0.566 0.000 1.081 248 H CA 1.052 57.346 56.048 0.410 0.000 1.345 248 H CB -0.375 29.632 29.762 0.408 0.000 1.393 248 H HN 0.470 nan 8.280 nan 0.000 0.520 249 W N 0.970 122.504 121.300 0.391 0.000 2.317 249 W HA -0.145 4.515 4.660 -0.000 0.000 0.318 249 W C 2.641 179.338 176.519 0.297 0.000 1.227 249 W CA 0.374 57.912 57.345 0.320 0.000 1.269 249 W CB -1.454 28.107 29.460 0.168 0.000 1.155 249 W HN 0.140 nan 8.180 nan 0.000 0.484 250 I N 0.091 120.918 120.570 0.427 0.000 2.493 250 I HA -0.240 3.930 4.170 0.000 0.000 0.254 250 I C 2.196 178.478 176.117 0.274 0.000 1.160 250 I CA 1.332 62.797 61.300 0.275 0.000 1.445 250 I CB -0.176 37.864 38.000 0.067 0.000 1.086 250 I HN 0.007 nan 8.210 nan 0.000 0.433 251 E N -0.324 120.048 120.200 0.287 0.000 2.047 251 E HA -0.254 4.096 4.350 0.000 0.000 0.191 251 E C 1.933 178.616 176.600 0.138 0.000 0.987 251 E CA 1.566 58.071 56.400 0.175 0.000 0.799 251 E CB -0.234 29.545 29.700 0.132 0.000 0.752 251 E HN 0.512 nan 8.360 nan 0.000 0.449 252 W N 0.959 122.356 121.300 0.161 0.000 2.321 252 W HA -0.175 4.484 4.660 -0.000 0.000 0.306 252 W C 2.507 179.095 176.519 0.114 0.000 1.217 252 W CA 1.339 58.759 57.345 0.125 0.000 1.257 252 W CB -0.655 28.899 29.460 0.157 0.000 1.145 252 W HN 0.175 nan 8.180 nan 0.000 0.509 253 G N -0.111 108.914 108.800 0.374 0.000 2.446 253 G HA2 -0.327 3.634 3.960 0.000 0.000 0.217 253 G HA3 -0.327 3.634 3.960 0.000 0.000 0.217 253 G C 1.446 176.415 174.900 0.115 0.000 1.168 253 G CA 1.291 46.527 45.100 0.227 0.000 0.771 253 G HN 0.240 nan 8.290 nan 0.000 0.551 254 R N -0.014 120.551 120.500 0.108 0.000 2.073 254 R HA 0.067 4.407 4.340 0.000 0.000 0.234 254 R C 2.607 178.919 176.300 0.020 0.000 1.134 254 R CA 1.086 57.193 56.100 0.010 0.000 0.952 254 R CB -0.395 29.942 30.300 0.062 0.000 0.850 254 R HN 0.391 nan 8.270 nan 0.000 0.433 255 L N 0.219 121.516 121.223 0.123 0.000 2.079 255 L HA -0.200 4.140 4.340 0.000 0.000 0.210 255 L C 2.611 179.562 176.870 0.135 0.000 1.081 255 L CA 1.378 56.317 54.840 0.165 0.000 0.752 255 L CB -0.327 41.731 42.059 -0.002 0.000 0.896 255 L HN 0.350 nan 8.230 nan 0.000 0.433 256 M N -0.786 118.885 119.600 0.119 0.000 2.296 256 M HA -0.187 4.293 4.480 0.000 0.000 0.265 256 M C 2.173 178.451 176.300 -0.036 0.000 1.064 256 M CA 1.520 56.853 55.300 0.055 0.000 1.109 256 M CB -0.230 32.411 32.600 0.068 0.000 1.396 256 M HN 0.290 nan 8.290 nan 0.000 0.430 257 L N -1.311 119.857 121.223 -0.091 0.000 2.179 257 L HA -0.152 4.188 4.340 0.000 0.000 0.208 257 L C 2.481 179.290 176.870 -0.101 0.000 1.096 257 L CA 0.639 55.375 54.840 -0.173 0.000 0.779 257 L CB -0.834 41.042 42.059 -0.305 0.000 0.922 257 L HN 0.351 nan 8.230 nan 0.000 0.443 258 H N 0.001 119.079 119.070 0.014 0.000 2.421 258 H HA -0.081 4.475 4.556 0.000 0.000 0.298 258 H C 2.348 177.701 175.328 0.041 0.000 1.087 258 H CA 1.404 57.475 56.048 0.039 0.000 1.330 258 H CB 0.139 29.923 29.762 0.037 0.000 1.388 258 H HN 0.358 nan 8.280 nan 0.000 0.526 259 I N -0.181 120.460 120.570 0.119 0.000 2.286 259 I HA -0.254 3.916 4.170 0.000 0.000 0.245 259 I C 2.611 178.730 176.117 0.003 0.000 1.104 259 I CA 1.101 62.420 61.300 0.032 0.000 1.397 259 I CB -0.301 37.691 38.000 -0.014 0.000 1.072 259 I HN 0.224 nan 8.210 nan 0.000 0.417 260 H N 1.265 120.268 119.070 -0.112 0.000 2.290 260 H HA -0.188 4.368 4.556 0.000 0.000 0.298 260 H C 2.236 177.517 175.328 -0.079 0.000 1.087 260 H CA 2.134 58.099 56.048 -0.137 0.000 1.291 260 H CB 0.026 29.687 29.762 -0.168 0.000 1.369 260 H HN 0.285 nan 8.280 nan 0.000 0.492 261 A N 0.892 123.785 122.820 0.121 0.000 1.902 261 A HA -0.105 4.215 4.320 0.000 0.000 0.217 261 A C 2.620 180.237 177.584 0.055 0.000 1.181 261 A CA 1.760 53.846 52.037 0.082 0.000 0.623 261 A CB -1.407 17.660 19.000 0.112 0.000 0.818 261 A HN 0.660 nan 8.150 nan 0.000 0.443 262 A N -0.087 122.786 122.820 0.087 0.000 1.865 262 A HA -0.096 4.224 4.320 0.000 0.000 0.217 262 A C 2.175 179.797 177.584 0.063 0.000 1.191 262 A CA 1.573 53.691 52.037 0.136 0.000 0.623 262 A CB -0.733 18.359 19.000 0.154 0.000 0.826 262 A HN 0.482 nan 8.150 nan 0.000 0.444 263 L N -0.812 120.390 121.223 -0.035 0.000 2.043 263 L HA -0.257 4.083 4.340 0.000 0.000 0.212 263 L C 2.648 179.466 176.870 -0.087 0.000 1.075 263 L CA 1.932 56.723 54.840 -0.082 0.000 0.752 263 L CB -0.614 41.352 42.059 -0.155 0.000 0.891 263 L HN 0.505 nan 8.230 nan 0.000 0.432 264 E N -0.182 119.943 120.200 -0.124 0.000 2.107 264 E HA -0.146 4.204 4.350 0.000 0.000 0.191 264 E C 2.248 178.825 176.600 -0.038 0.000 0.982 264 E CA 0.856 57.192 56.400 -0.108 0.000 0.809 264 E CB -0.101 29.513 29.700 -0.144 0.000 0.756 264 E HN 0.478 nan 8.360 nan 0.000 0.459 265 A N 1.959 124.781 122.820 0.004 0.000 2.131 265 A HA -0.184 4.136 4.320 0.000 0.000 0.220 265 A C 1.834 179.430 177.584 0.021 0.000 1.158 265 A CA 1.161 53.218 52.037 0.033 0.000 0.665 265 A CB -0.491 18.558 19.000 0.081 0.000 0.795 265 A HN 0.208 nan 8.150 nan 0.000 0.460 266 R N -2.054 118.453 120.500 0.011 0.000 2.700 266 R HA 0.366 4.706 4.340 0.000 0.000 0.377 266 R C -0.146 176.142 176.300 -0.020 0.000 1.130 266 R CA 0.255 56.352 56.100 -0.005 0.000 1.055 266 R CB -1.376 28.929 30.300 0.009 0.000 1.387 266 R HN 0.262 nan 8.270 nan 0.000 0.580 267 C N 0.917 120.201 119.300 -0.026 0.000 4.268 267 C HA -0.148 4.312 4.460 0.000 0.000 0.299 267 C C 0.231 175.196 174.990 -0.042 0.000 1.429 267 C CA 1.158 60.156 59.018 -0.033 0.000 2.018 267 C CB -2.374 25.351 27.740 -0.026 0.000 1.277 267 C HN 0.804 nan 8.230 nan 0.000 0.767 268 E N -0.259 119.908 120.200 -0.055 0.000 2.199 268 E HA 0.299 4.649 4.350 0.000 0.000 0.265 268 E C -0.130 176.410 176.600 -0.099 0.000 0.882 268 E CA -0.433 55.929 56.400 -0.064 0.000 0.759 268 E CB 0.880 30.547 29.700 -0.056 0.000 1.148 268 E HN 0.511 nan 8.360 nan 0.000 0.412 269 Q N 5.102 124.847 119.800 -0.091 0.000 2.281 269 Q HA 0.176 4.516 4.340 0.000 0.000 0.267 269 Q C -1.975 173.940 176.000 -0.141 0.000 1.053 269 Q CA -1.558 54.175 55.803 -0.117 0.000 0.905 269 Q CB 0.893 29.584 28.738 -0.077 0.000 1.195 269 Q HN 0.392 nan 8.270 nan 0.000 0.398 270 P HA 0.182 nan 4.420 nan 0.000 0.275 270 P C -2.551 174.644 177.300 -0.175 0.000 1.228 270 P CA -1.329 61.626 63.100 -0.242 0.000 0.786 270 P CB 0.053 31.498 31.700 -0.423 0.000 0.927 271 P HA -0.014 nan 4.420 nan 0.000 0.266 271 P C 0.879 178.066 177.300 -0.187 0.000 1.193 271 P CA 0.206 63.224 63.100 -0.137 0.000 0.770 271 P CB 0.205 31.813 31.700 -0.155 0.000 0.836 272 A N 4.141 126.943 122.820 -0.030 0.000 1.972 272 A HA -0.143 4.177 4.320 0.000 0.000 0.219 272 A C 1.812 179.403 177.584 0.012 0.000 1.169 272 A CA 1.200 53.242 52.037 0.007 0.000 0.635 272 A CB -1.408 17.632 19.000 0.067 0.000 0.810 272 A HN 0.868 nan 8.150 nan 0.000 0.446 273 W N 0.213 121.492 121.300 -0.034 0.000 2.421 273 W HA -0.095 4.565 4.660 -0.000 0.000 0.270 273 W C 1.175 177.700 176.519 0.009 0.000 1.233 273 W CA 0.795 58.122 57.345 -0.030 0.000 1.226 273 W CB -1.047 28.240 29.460 -0.288 0.000 1.121 273 W HN 0.266 nan 8.180 nan 0.000 0.579 274 L N 0.806 121.595 121.223 -0.723 0.000 1.994 274 L HA -0.257 4.083 4.340 0.000 0.000 0.208 274 L C 2.817 179.552 176.870 -0.226 0.000 1.071 274 L CA 1.483 55.943 54.840 -0.634 0.000 0.745 274 L CB -1.104 40.601 42.059 -0.590 0.000 0.892 274 L HN 0.040 nan 8.230 nan 0.000 0.431 275 L N -0.297 120.814 121.223 -0.186 0.000 2.072 275 L HA -0.139 4.201 4.340 0.000 0.000 0.205 275 L C 2.322 179.143 176.870 -0.082 0.000 1.079 275 L CA 1.612 56.335 54.840 -0.194 0.000 0.752 275 L CB -0.467 41.449 42.059 -0.240 0.000 0.906 275 L HN 0.179 nan 8.230 nan 0.000 0.436 276 E N -0.297 119.908 120.200 0.009 0.000 2.058 276 E HA -0.238 4.112 4.350 0.000 0.000 0.194 276 E C 1.713 178.355 176.600 0.071 0.000 0.997 276 E CA 1.609 58.053 56.400 0.074 0.000 0.801 276 E CB -0.150 29.657 29.700 0.178 0.000 0.746 276 E HN 0.545 nan 8.360 nan 0.000 0.450 277 D N 0.108 120.624 120.400 0.193 0.000 2.178 277 D HA -0.080 4.560 4.640 0.000 0.000 0.202 277 D C 1.793 178.109 176.300 0.025 0.000 0.974 277 D CA 1.060 55.205 54.000 0.242 0.000 0.841 277 D CB -0.239 40.886 40.800 0.541 0.000 0.953 277 D HN 0.171 nan 8.370 nan 0.000 0.478 278 A N 1.237 124.065 122.820 0.014 0.000 1.877 278 A HA -0.210 4.110 4.320 0.000 0.000 0.216 278 A C 2.062 179.624 177.584 -0.037 0.000 1.186 278 A CA 1.417 53.451 52.037 -0.005 0.000 0.620 278 A CB -0.374 18.574 19.000 -0.086 0.000 0.822 278 A HN 0.126 nan 8.150 nan 0.000 0.443 279 K N -0.741 119.605 120.400 -0.090 0.000 2.097 279 K HA -0.103 4.217 4.320 0.000 0.000 0.206 279 K C 2.103 178.640 176.600 -0.106 0.000 1.049 279 K CA 1.118 57.378 56.287 -0.045 0.000 0.933 279 K CB -0.434 32.051 32.500 -0.025 0.000 0.717 279 K HN 0.478 nan 8.250 nan 0.000 0.442 280 G N 1.279 109.810 108.800 -0.449 0.000 2.404 280 G HA2 -0.214 3.746 3.960 0.000 0.000 0.215 280 G HA3 -0.214 3.746 3.960 0.000 0.000 0.215 280 G C 1.465 175.984 174.900 -0.634 0.000 1.174 280 G CA 0.544 45.000 45.100 -1.074 0.000 0.780 280 G HN 0.094 nan 8.290 nan 0.000 0.537 281 L N -0.949 120.086 121.223 -0.312 0.000 2.141 281 L HA 0.081 4.421 4.340 0.000 0.000 0.209 281 L C 2.518 179.499 176.870 0.185 0.000 1.094 281 L CA 0.640 55.518 54.840 0.064 0.000 0.763 281 L CB -0.344 41.836 42.059 0.201 0.000 0.908 281 L HN 0.227 nan 8.230 nan 0.000 0.437 282 F N 1.213 121.183 119.950 0.033 0.000 2.113 282 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 282 F C 2.435 178.273 175.800 0.064 0.000 1.103 282 F CA 1.829 59.877 58.000 0.081 0.000 1.248 282 F CB -0.145 38.908 39.000 0.089 0.000 0.999 282 F HN 0.117 nan 8.300 nan 0.000 0.475 283 N N 0.642 119.510 118.700 0.280 0.000 2.069 283 N HA -0.211 4.529 4.740 0.000 0.000 0.191 283 N C 1.836 177.412 175.510 0.111 0.000 1.031 283 N CA 1.873 55.029 53.050 0.177 0.000 0.852 283 N CB -0.518 38.046 38.487 0.129 0.000 1.018 283 N HN 0.308 nan 8.380 nan 0.000 0.423 284 A N -0.660 122.242 122.820 0.136 0.000 1.908 284 A HA -0.136 4.184 4.320 0.000 0.000 0.218 284 A C 2.320 180.107 177.584 0.337 0.000 1.181 284 A CA 2.176 54.345 52.037 0.220 0.000 0.627 284 A CB -1.334 17.754 19.000 0.146 0.000 0.818 284 A HN 0.463 nan 8.150 nan 0.000 0.445 285 T N -0.316 114.407 114.554 0.283 0.000 2.684 285 T HA -0.147 4.203 4.350 0.000 0.000 0.267 285 T C 1.886 176.552 174.700 -0.057 0.000 1.036 285 T CA 1.744 63.910 62.100 0.110 0.000 1.148 285 T CB -0.500 68.293 68.868 -0.125 0.000 0.863 285 T HN 0.162 nan 8.240 nan 0.000 0.436 286 V N 1.442 121.249 119.914 -0.178 0.000 2.307 286 V HA -0.158 3.962 4.120 0.000 0.000 0.245 286 V C 2.649 178.775 176.094 0.053 0.000 1.045 286 V CA 1.784 63.976 62.300 -0.180 0.000 1.024 286 V CB -0.634 30.901 31.823 -0.479 0.000 0.651 286 V HN 0.378 nan 8.190 nan 0.000 0.449 287 R N 0.094 120.643 120.500 0.082 0.000 2.096 287 R HA -0.217 4.123 4.340 0.000 0.000 0.240 287 R C 1.889 178.268 176.300 0.131 0.000 1.139 287 R CA 2.419 58.596 56.100 0.128 0.000 0.952 287 R CB -0.276 30.105 30.300 0.135 0.000 0.854 287 R HN 0.570 nan 8.270 nan 0.000 0.436 288 D N -1.028 119.463 120.400 0.150 0.000 2.323 288 D HA 0.039 4.679 4.640 0.000 0.000 0.218 288 D C 1.369 177.683 176.300 0.023 0.000 0.973 288 D CA 1.121 55.191 54.000 0.116 0.000 0.890 288 D CB 0.130 41.059 40.800 0.214 0.000 1.011 288 D HN 0.366 nan 8.370 nan 0.000 0.499 289 A N -0.053 122.755 122.820 -0.020 0.000 2.220 289 A HA 0.024 4.344 4.320 0.000 0.000 0.211 289 A C 0.600 178.176 177.584 -0.014 0.000 1.176 289 A CA -0.358 51.618 52.037 -0.102 0.000 0.834 289 A CB -0.181 18.663 19.000 -0.259 0.000 0.868 289 A HN 0.281 nan 8.150 nan 0.000 0.488 290 W N 0.749 121.994 121.300 -0.091 0.000 2.331 290 W HA 0.410 5.070 4.660 -0.000 0.000 0.306 290 W C 0.274 176.820 176.519 0.044 0.000 1.162 290 W CA -0.375 56.964 57.345 -0.010 0.000 1.232 290 W CB 0.424 29.943 29.460 0.097 0.000 1.235 290 W HN 0.649 nan 8.180 nan 0.000 0.479 291 A N 6.580 128.870 122.820 -0.883 0.000 2.415 291 A HA -0.227 4.093 4.320 0.000 0.000 0.292 291 A C -1.878 175.532 177.584 -0.290 0.000 1.452 291 A CA 0.920 52.528 52.037 -0.715 0.000 0.750 291 A CB -1.584 16.867 19.000 -0.915 0.000 1.099 291 A HN 0.581 nan 8.150 nan 0.000 0.391 292 P HA 0.202 nan 4.420 nan 0.000 0.275 292 P C -0.127 177.121 177.300 -0.087 0.000 1.310 292 P CA 0.884 63.926 63.100 -0.096 0.000 0.904 292 P CB 0.424 32.085 31.700 -0.066 0.000 1.381 293 D N -1.633 118.697 120.400 -0.117 0.000 2.692 293 D HA 0.273 4.913 4.640 0.000 0.000 0.290 293 D C 1.181 177.429 176.300 -0.087 0.000 1.455 293 D CA -0.237 53.709 54.000 -0.090 0.000 0.796 293 D CB -0.214 40.533 40.800 -0.090 0.000 1.131 293 D HN 0.147 nan 8.370 nan 0.000 0.467 294 G N -0.750 107.995 108.800 -0.092 0.000 2.195 294 G HA2 0.113 4.073 3.960 0.000 0.000 0.224 294 G HA3 0.113 4.073 3.960 0.000 0.000 0.224 294 G C 0.297 175.142 174.900 -0.091 0.000 0.990 294 G CA -0.038 45.017 45.100 -0.075 0.000 0.639 294 G HN 1.022 nan 8.290 nan 0.000 0.514 295 A N -0.256 122.481 122.820 -0.139 0.000 2.539 295 A HA 0.691 5.011 4.320 0.000 0.000 0.296 295 A C -0.549 176.873 177.584 -0.269 0.000 1.073 295 A CA -0.192 51.753 52.037 -0.153 0.000 0.700 295 A CB 1.234 20.148 19.000 -0.144 0.000 1.296 295 A HN 0.091 nan 8.150 nan 0.000 0.405 296 D N 0.018 120.267 120.400 -0.253 0.000 2.369 296 D HA 0.514 5.154 4.640 0.000 0.000 0.241 296 D C 0.752 176.692 176.300 -0.600 0.000 1.271 296 D CA 1.802 55.468 54.000 -0.557 0.000 0.942 296 D CB 0.807 41.548 40.800 -0.099 0.000 1.129 296 D HN 1.496 nan 8.370 nan 0.000 0.476 297 G N -0.883 107.215 108.800 -1.171 0.000 2.459 297 G HA2 0.010 3.970 3.960 0.000 0.000 0.685 297 G HA3 0.010 3.970 3.960 0.000 0.000 0.685 297 G C -1.359 173.316 174.900 -0.373 0.000 1.303 297 G CA -0.931 43.737 45.100 -0.719 0.000 0.907 297 G HN 0.306 nan 8.290 nan 0.000 0.632 298 I N 1.759 122.180 120.570 -0.247 0.000 2.330 298 I HA 0.405 4.575 4.170 0.000 0.000 0.289 298 I C 1.378 177.342 176.117 -0.256 0.000 1.001 298 I CA -0.773 60.400 61.300 -0.212 0.000 1.193 298 I CB 0.553 38.358 38.000 -0.326 0.000 1.345 298 I HN 0.799 nan 8.210 nan 0.000 0.461 299 V N 4.602 124.377 119.914 -0.231 0.000 3.237 299 V HA 0.053 4.173 4.120 0.000 0.000 0.305 299 V C 1.085 177.049 176.094 -0.216 0.000 1.096 299 V CA 0.004 62.188 62.300 -0.194 0.000 1.130 299 V CB 0.440 32.163 31.823 -0.168 0.000 1.048 299 V HN 0.702 nan 8.190 nan 0.000 0.484 300 Y N 2.118 122.238 120.300 -0.300 0.000 2.206 300 Y HA 0.152 4.702 4.550 -0.000 0.000 0.292 300 Y C 1.492 177.203 175.900 -0.315 0.000 1.123 300 Y CA 1.409 59.309 58.100 -0.333 0.000 1.142 300 Y CB -0.050 38.274 38.460 -0.227 0.000 1.006 300 Y HN 1.019 nan 8.280 nan 0.000 0.518 301 T N -1.922 112.480 114.554 -0.254 0.000 2.906 301 T HA 0.646 4.996 4.350 0.000 0.000 0.295 301 T C -1.338 173.206 174.700 -0.260 0.000 1.075 301 T CA -0.779 61.118 62.100 -0.339 0.000 1.005 301 T CB 1.694 70.431 68.868 -0.218 0.000 1.136 301 T HN -0.064 nan 8.240 nan 0.000 0.498 302 V N 1.429 121.161 119.914 -0.304 0.000 3.114 302 V HA 0.589 4.709 4.120 0.000 0.000 0.308 302 V C -1.287 174.622 176.094 -0.309 0.000 1.168 302 V CA -0.794 61.378 62.300 -0.213 0.000 1.015 302 V CB 2.366 34.092 31.823 -0.162 0.000 1.050 302 V HN 1.278 nan 8.190 nan 0.000 0.433 303 D N 1.260 121.533 120.400 -0.212 0.000 2.506 303 D HA 0.165 4.805 4.640 0.000 0.000 0.272 303 D C 0.564 176.706 176.300 -0.265 0.000 1.214 303 D CA -0.372 53.410 54.000 -0.364 0.000 1.067 303 D CB 0.504 41.309 40.800 0.010 0.000 1.117 303 D HN 0.593 nan 8.370 nan 0.000 0.578 304 W N -0.997 120.347 121.300 0.074 0.000 2.848 304 W HA 0.090 4.750 4.660 -0.000 0.000 0.241 304 W C 1.173 177.739 176.519 0.078 0.000 1.289 304 W CA -0.238 57.150 57.345 0.070 0.000 1.396 304 W CB 0.115 29.618 29.460 0.071 0.000 1.138 304 W HN 0.386 nan 8.180 nan 0.000 0.677 305 E N -0.792 119.549 120.200 0.234 0.000 2.562 305 E HA 0.152 4.502 4.350 0.000 0.000 0.214 305 E C 1.618 178.278 176.600 0.099 0.000 0.979 305 E CA 0.343 56.827 56.400 0.139 0.000 1.002 305 E CB 0.742 30.506 29.700 0.106 0.000 1.048 305 E HN 0.226 nan 8.360 nan 0.000 0.488 306 G N 2.093 110.970 108.800 0.128 0.000 2.176 306 G HA2 -0.264 3.696 3.960 0.000 0.000 0.253 306 G HA3 -0.264 3.696 3.960 0.000 0.000 0.253 306 G C 0.150 175.086 174.900 0.060 0.000 0.979 306 G CA 0.176 45.350 45.100 0.124 0.000 0.641 306 G HN 0.033 nan 8.290 nan 0.000 0.530 307 K N 1.484 121.907 120.400 0.038 0.000 2.322 307 K HA 0.524 4.844 4.320 0.000 0.000 0.283 307 K C -2.223 174.367 176.600 -0.017 0.000 1.042 307 K CA -2.113 54.182 56.287 0.013 0.000 0.958 307 K CB 0.655 33.168 32.500 0.022 0.000 0.984 307 K HN 0.093 nan 8.250 nan 0.000 0.473 308 P HA -0.060 nan 4.420 nan 0.000 0.265 308 P C -0.091 177.188 177.300 -0.035 0.000 1.193 308 P CA 0.008 63.073 63.100 -0.057 0.000 0.765 308 P CB 0.742 32.404 31.700 -0.064 0.000 0.823 309 V N 3.232 123.124 119.914 -0.037 0.000 3.654 309 V HA 0.059 4.179 4.120 0.000 0.000 0.204 309 V C 0.599 176.699 176.094 0.011 0.000 1.135 309 V CA 0.228 62.532 62.300 0.008 0.000 1.368 309 V CB -0.247 31.607 31.823 0.051 0.000 1.519 309 V HN 0.141 nan 8.190 nan 0.000 0.496 310 V N 2.456 122.388 119.914 0.030 0.000 2.397 310 V HA 0.171 4.291 4.120 0.000 0.000 0.262 310 V C 1.288 177.395 176.094 0.021 0.000 1.047 310 V CA 0.353 62.690 62.300 0.063 0.000 1.003 310 V CB 0.264 32.193 31.823 0.176 0.000 1.037 310 V HN 0.410 nan 8.190 nan 0.000 0.480 311 R N 1.899 122.392 120.500 -0.013 0.000 2.297 311 R HA 0.080 4.420 4.340 0.000 0.000 0.197 311 R C 0.375 176.638 176.300 -0.063 0.000 0.943 311 R CA -0.127 55.943 56.100 -0.049 0.000 1.038 311 R CB 0.220 30.486 30.300 -0.058 0.000 0.957 311 R HN 0.629 nan 8.270 nan 0.000 0.484 312 E N 1.547 121.716 120.200 -0.051 0.000 2.437 312 E HA -0.046 4.304 4.350 0.000 0.000 0.263 312 E C -0.108 176.430 176.600 -0.103 0.000 1.030 312 E CA 0.538 56.889 56.400 -0.081 0.000 0.934 312 E CB 0.460 30.101 29.700 -0.098 0.000 0.943 312 E HN -0.055 nan 8.360 nan 0.000 0.444 313 R N 2.186 122.625 120.500 -0.102 0.000 2.369 313 R HA 0.236 4.576 4.340 0.000 0.000 0.310 313 R C -0.718 175.517 176.300 -0.107 0.000 1.141 313 R CA -0.472 55.567 56.100 -0.101 0.000 1.116 313 R CB -0.024 30.258 30.300 -0.030 0.000 1.135 313 R HN 0.224 nan 8.270 nan 0.000 0.529 314 V N 3.042 122.827 119.914 -0.214 0.000 3.003 314 V HA 0.107 4.227 4.120 0.000 0.000 0.305 314 V C 2.079 178.047 176.094 -0.209 0.000 1.078 314 V CA -0.230 61.917 62.300 -0.255 0.000 1.083 314 V CB 1.487 33.018 31.823 -0.485 0.000 1.039 314 V HN 0.693 nan 8.190 nan 0.000 0.481 315 R N 2.445 122.905 120.500 -0.066 0.000 2.062 315 R HA -0.109 4.231 4.340 0.000 0.000 0.231 315 R C 2.242 178.511 176.300 -0.052 0.000 1.136 315 R CA 2.177 58.307 56.100 0.051 0.000 0.948 315 R CB -0.218 30.201 30.300 0.198 0.000 0.845 315 R HN 0.943 nan 8.270 nan 0.000 0.430 316 W N 0.529 121.736 121.300 -0.155 0.000 2.342 316 W HA 0.001 4.661 4.660 0.000 0.000 0.297 316 W C -1.374 174.965 176.519 -0.301 0.000 1.213 316 W CA 0.373 57.496 57.345 -0.370 0.000 1.251 316 W CB -1.901 27.026 29.460 -0.887 0.000 1.136 316 W HN 0.116 nan 8.180 nan 0.000 0.526 317 P HA -0.223 nan 4.420 nan 0.000 0.215 317 P C 2.117 179.156 177.300 -0.435 0.000 1.157 317 P CA 2.373 65.008 63.100 -0.775 0.000 0.874 317 P CB -0.407 30.694 31.700 -0.999 0.000 0.790 318 I N -1.157 119.165 120.570 -0.413 0.000 2.546 318 I HA -0.154 4.016 4.170 0.000 0.000 0.255 318 I C 1.710 177.647 176.117 -0.300 0.000 1.163 318 I CA 1.005 62.026 61.300 -0.465 0.000 1.457 318 I CB -0.064 37.711 38.000 -0.375 0.000 1.092 318 I HN -0.230 nan 8.210 nan 0.000 0.434 319 V N 1.243 121.076 119.914 -0.135 0.000 2.407 319 V HA -0.226 3.894 4.120 0.000 0.000 0.248 319 V C 2.418 178.518 176.094 0.011 0.000 1.055 319 V CA 1.753 64.012 62.300 -0.069 0.000 1.049 319 V CB -0.700 31.079 31.823 -0.074 0.000 0.662 319 V HN 0.445 nan 8.190 nan 0.000 0.455 320 E N 0.168 120.393 120.200 0.042 0.000 2.152 320 E HA -0.071 4.279 4.350 0.000 0.000 0.192 320 E C 2.345 178.984 176.600 0.065 0.000 0.983 320 E CA 1.220 57.700 56.400 0.132 0.000 0.818 320 E CB -0.391 29.440 29.700 0.218 0.000 0.758 320 E HN 0.574 nan 8.360 nan 0.000 0.467 321 A N 1.246 123.970 122.820 -0.160 0.000 1.902 321 A HA -0.170 4.150 4.320 0.000 0.000 0.217 321 A C 2.285 179.986 177.584 0.196 0.000 1.181 321 A CA 1.556 53.397 52.037 -0.327 0.000 0.623 321 A CB -0.501 17.691 19.000 -1.348 0.000 0.818 321 A HN 0.158 nan 8.150 nan 0.000 0.443 322 M N -0.650 119.090 119.600 0.234 0.000 2.117 322 M HA -0.082 4.398 4.480 0.000 0.000 0.262 322 M C 2.310 179.005 176.300 0.658 0.000 1.065 322 M CA 1.390 57.055 55.300 0.609 0.000 1.114 322 M CB -0.576 32.175 32.600 0.251 0.000 1.361 322 M HN 0.506 nan 8.290 nan 0.000 0.408 323 G N -0.316 108.738 108.800 0.424 0.000 2.418 323 G HA2 -0.177 3.783 3.960 0.000 0.000 0.217 323 G HA3 -0.177 3.783 3.960 0.000 0.000 0.217 323 G C 1.482 176.601 174.900 0.365 0.000 1.158 323 G CA 1.460 46.793 45.100 0.389 0.000 0.771 323 G HN 0.374 nan 8.290 nan 0.000 0.545 324 T N 1.670 116.425 114.554 0.335 0.000 2.777 324 T HA 0.083 4.433 4.350 0.000 0.000 0.266 324 T C 2.828 177.686 174.700 0.264 0.000 1.040 324 T CA 1.322 63.589 62.100 0.277 0.000 1.141 324 T CB -0.366 68.712 68.868 0.350 0.000 0.868 324 T HN 0.364 nan 8.240 nan 0.000 0.444 325 A N 0.961 124.119 122.820 0.564 0.000 1.917 325 A HA -0.183 4.137 4.320 0.000 0.000 0.219 325 A C 2.092 179.819 177.584 0.238 0.000 1.182 325 A CA 1.942 54.273 52.037 0.490 0.000 0.633 325 A CB -1.132 18.436 19.000 0.947 0.000 0.819 325 A HN 0.627 nan 8.150 nan 0.000 0.448 326 Y N 0.563 120.949 120.300 0.143 0.000 2.181 326 Y HA -0.071 4.479 4.550 -0.000 0.000 0.288 326 Y C 2.603 178.337 175.900 -0.278 0.000 1.146 326 Y CA 1.272 59.179 58.100 -0.322 0.000 1.164 326 Y CB -0.599 37.722 38.460 -0.232 0.000 0.982 326 Y HN 0.314 nan 8.280 nan 0.000 0.515 327 A N 0.617 123.309 122.820 -0.214 0.000 1.858 327 A HA -0.173 4.147 4.320 0.000 0.000 0.216 327 A C 2.331 179.624 177.584 -0.485 0.000 1.190 327 A CA 1.937 53.755 52.037 -0.365 0.000 0.617 327 A CB -1.245 17.619 19.000 -0.225 0.000 0.827 327 A HN 0.559 nan 8.150 nan 0.000 0.443 328 L N -1.998 118.901 121.223 -0.540 0.000 2.083 328 L HA -0.207 4.133 4.340 0.000 0.000 0.209 328 L C 2.603 179.103 176.870 -0.616 0.000 1.083 328 L CA 1.785 56.147 54.840 -0.796 0.000 0.752 328 L CB -0.551 40.550 42.059 -1.597 0.000 0.899 328 L HN 0.654 nan 8.230 nan 0.000 0.433 329 Y N 0.613 120.585 120.300 -0.546 0.000 2.163 329 Y HA -0.254 4.296 4.550 -0.000 0.000 0.288 329 Y C 2.616 178.287 175.900 -0.381 0.000 1.136 329 Y CA 2.060 59.993 58.100 -0.279 0.000 1.147 329 Y CB -0.502 37.804 38.460 -0.258 0.000 0.987 329 Y HN 0.006 nan 8.280 nan 0.000 0.509 330 T N -0.374 113.791 114.554 -0.647 0.000 2.803 330 T HA -0.149 4.201 4.350 0.000 0.000 0.269 330 T C 1.891 176.312 174.700 -0.465 0.000 1.052 330 T CA 1.663 63.382 62.100 -0.636 0.000 1.136 330 T CB -0.474 67.975 68.868 -0.697 0.000 0.864 330 T HN 0.236 nan 8.240 nan 0.000 0.467 331 V N 1.366 121.024 119.914 -0.427 0.000 2.575 331 V HA -0.040 4.080 4.120 0.000 0.000 0.242 331 V C 2.849 178.775 176.094 -0.280 0.000 1.045 331 V CA 1.784 63.887 62.300 -0.328 0.000 1.065 331 V CB -0.479 31.102 31.823 -0.403 0.000 0.717 331 V HN 0.657 nan 8.190 nan 0.000 0.467 332 T N -2.922 111.461 114.554 -0.284 0.000 3.031 332 T HA 0.244 4.594 4.350 0.000 0.000 0.254 332 T C 1.725 176.319 174.700 -0.176 0.000 1.060 332 T CA 1.217 63.218 62.100 -0.165 0.000 1.135 332 T CB 0.523 69.376 68.868 -0.025 0.000 0.896 332 T HN 0.928 nan 8.240 nan 0.000 0.472 333 G N 1.459 110.057 108.800 -0.336 0.000 2.179 333 G HA2 -0.240 3.720 3.960 0.000 0.000 0.260 333 G HA3 -0.240 3.720 3.960 0.000 0.000 0.260 333 G C -0.135 174.702 174.900 -0.105 0.000 0.977 333 G CA 0.185 45.047 45.100 -0.396 0.000 0.641 333 G HN 0.725 nan 8.290 nan 0.000 0.533 334 D N 0.504 120.934 120.400 0.050 0.000 2.382 334 D HA 0.211 4.851 4.640 0.000 0.000 0.259 334 D C 1.747 178.192 176.300 0.241 0.000 1.224 334 D CA -0.363 53.696 54.000 0.098 0.000 0.894 334 D CB 0.309 41.120 40.800 0.018 0.000 1.127 334 D HN 0.311 nan 8.370 nan 0.000 0.487 335 R N 2.703 123.311 120.500 0.179 0.000 2.241 335 R HA -0.121 4.219 4.340 0.000 0.000 0.224 335 R C 1.695 178.008 176.300 0.022 0.000 1.101 335 R CA 0.731 56.938 56.100 0.178 0.000 0.995 335 R CB 0.158 30.506 30.300 0.079 0.000 0.870 335 R HN 0.649 nan 8.270 nan 0.000 0.463 336 Q N -0.771 118.975 119.800 -0.089 0.000 2.226 336 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 336 Q C 1.281 177.224 176.000 -0.096 0.000 0.975 336 Q CA 1.367 57.060 55.803 -0.183 0.000 0.866 336 Q CB -0.071 28.520 28.738 -0.245 0.000 0.915 336 Q HN 0.520 nan 8.270 nan 0.000 0.440 337 Y N 0.368 120.751 120.300 0.138 0.000 2.373 337 Y HA -0.153 4.397 4.550 0.000 0.000 0.293 337 Y C 2.334 178.383 175.900 0.248 0.000 1.129 337 Y CA 0.866 59.074 58.100 0.179 0.000 1.226 337 Y CB 0.189 38.698 38.460 0.081 0.000 1.000 337 Y HN 0.190 nan 8.280 nan 0.000 0.549 338 E N -0.163 120.182 120.200 0.243 0.000 2.158 338 E HA -0.135 4.215 4.350 0.000 0.000 0.191 338 E C 1.781 178.237 176.600 -0.241 0.000 0.982 338 E CA 1.447 57.800 56.400 -0.077 0.000 0.823 338 E CB 0.039 29.515 29.700 -0.374 0.000 0.766 338 E HN 0.269 nan 8.360 nan 0.000 0.468 339 T N -0.157 114.236 114.554 -0.269 0.000 2.788 339 T HA -0.151 4.199 4.350 0.000 0.000 0.268 339 T C 0.995 175.359 174.700 -0.559 0.000 1.044 339 T CA 1.353 63.181 62.100 -0.454 0.000 1.139 339 T CB -0.338 68.231 68.868 -0.498 0.000 0.867 339 T HN 0.387 nan 8.240 nan 0.000 0.454 340 W N 0.154 121.210 121.300 -0.407 0.000 2.381 340 W HA -0.040 4.620 4.660 0.000 0.000 0.301 340 W C 2.191 178.275 176.519 -0.725 0.000 1.205 340 W CA 0.415 57.248 57.345 -0.854 0.000 1.285 340 W CB -0.482 28.466 29.460 -0.852 0.000 1.133 340 W HN 0.257 nan 8.180 nan 0.000 0.521 341 Y N 1.456 121.731 120.300 -0.041 0.000 2.128 341 Y HA -0.348 4.202 4.550 -0.000 0.000 0.284 341 Y C 2.287 178.225 175.900 0.063 0.000 1.154 341 Y CA 2.383 60.602 58.100 0.199 0.000 1.149 341 Y CB -0.674 37.934 38.460 0.247 0.000 0.976 341 Y HN 0.038 nan 8.280 nan 0.000 0.505 342 Q N -1.053 118.602 119.800 -0.241 0.000 2.079 342 Q HA -0.134 4.206 4.340 0.000 0.000 0.200 342 Q C 2.144 177.986 176.000 -0.263 0.000 0.974 342 Q CA 1.974 57.461 55.803 -0.528 0.000 0.840 342 Q CB -0.278 27.840 28.738 -1.033 0.000 0.898 342 Q HN 0.409 nan 8.270 nan 0.000 0.430 343 T N 0.142 114.483 114.554 -0.356 0.000 2.746 343 T HA -0.151 4.199 4.350 0.000 0.000 0.267 343 T C 1.059 175.739 174.700 -0.033 0.000 1.039 343 T CA 1.010 62.927 62.100 -0.305 0.000 1.142 343 T CB -0.167 68.302 68.868 -0.665 0.000 0.866 343 T HN 0.403 nan 8.240 nan 0.000 0.444 344 W N -0.206 121.069 121.300 -0.043 0.000 2.519 344 W HA 0.194 4.854 4.660 0.000 0.000 0.266 344 W C 1.812 178.377 176.519 0.077 0.000 1.253 344 W CA -0.915 56.424 57.345 -0.010 0.000 1.274 344 W CB -1.150 28.253 29.460 -0.096 0.000 1.114 344 W HN 0.407 nan 8.180 nan 0.000 0.596 345 W N 0.966 122.389 121.300 0.204 0.000 2.436 345 W HA -0.137 4.523 4.660 -0.000 0.000 0.284 345 W C 2.256 178.869 176.519 0.158 0.000 1.225 345 W CA 0.714 58.157 57.345 0.164 0.000 1.271 345 W CB 0.034 29.564 29.460 0.117 0.000 1.114 345 W HN -0.295 nan 8.180 nan 0.000 0.559 346 E N -0.486 119.958 120.200 0.407 0.000 2.072 346 E HA -0.264 4.086 4.350 0.000 0.000 0.191 346 E C 1.620 178.376 176.600 0.260 0.000 0.985 346 E CA 1.342 57.900 56.400 0.263 0.000 0.801 346 E CB -1.130 28.680 29.700 0.184 0.000 0.750 346 E HN 0.477 nan 8.360 nan 0.000 0.452 347 Y N 1.127 121.602 120.300 0.293 0.000 2.145 347 Y HA -0.282 4.268 4.550 -0.000 0.000 0.286 347 Y C 2.542 178.621 175.900 0.298 0.000 1.145 347 Y CA 1.698 60.031 58.100 0.389 0.000 1.148 347 Y CB -0.452 38.350 38.460 0.570 0.000 0.981 347 Y HN 0.016 nan 8.280 nan 0.000 0.507 348 C N 0.297 119.853 119.300 0.427 0.000 2.413 348 C HA -0.216 4.244 4.460 0.000 0.000 0.276 348 C C 2.753 177.678 174.990 -0.108 0.000 1.236 348 C CA 1.460 60.582 59.018 0.172 0.000 1.735 348 C CB -1.437 26.404 27.740 0.167 0.000 2.031 348 C HN 0.747 nan 8.230 nan 0.000 0.474 349 I N 0.568 121.154 120.570 0.027 0.000 2.493 349 I HA -0.176 3.994 4.170 0.000 0.000 0.254 349 I C 2.488 178.530 176.117 -0.125 0.000 1.160 349 I CA 1.454 62.725 61.300 -0.048 0.000 1.445 349 I CB -0.355 37.692 38.000 0.077 0.000 1.086 349 I HN 0.351 nan 8.210 nan 0.000 0.433 350 K N -0.089 120.180 120.400 -0.218 0.000 2.076 350 K HA -0.146 4.174 4.320 0.000 0.000 0.204 350 K C 1.381 177.658 176.600 -0.538 0.000 1.051 350 K CA 1.647 57.663 56.287 -0.451 0.000 0.949 350 K CB -0.060 32.000 32.500 -0.735 0.000 0.726 350 K HN 0.401 nan 8.250 nan 0.000 0.443 351 Y N -0.975 119.171 120.300 -0.257 0.000 2.467 351 Y HA 0.211 4.761 4.550 -0.000 0.000 0.259 351 Y C 1.538 177.420 175.900 -0.031 0.000 1.084 351 Y CA -0.402 57.563 58.100 -0.224 0.000 1.275 351 Y CB 0.618 38.781 38.460 -0.496 0.000 1.208 351 Y HN -0.106 nan 8.280 nan 0.000 0.511 352 L N -0.822 120.437 121.223 0.060 0.000 2.362 352 L HA 0.198 4.538 4.340 0.000 0.000 0.204 352 L C 0.584 177.340 176.870 -0.191 0.000 1.060 352 L CA 0.130 55.042 54.840 0.121 0.000 0.827 352 L CB 0.081 42.243 42.059 0.172 0.000 1.027 352 L HN 0.090 nan 8.230 nan 0.000 0.474 353 M N 1.064 120.295 119.600 -0.615 0.000 2.248 353 M HA -0.028 4.452 4.480 0.000 0.000 0.345 353 M C -0.419 175.533 176.300 -0.580 0.000 1.243 353 M CA 0.600 55.362 55.300 -0.895 0.000 1.090 353 M CB 0.310 32.350 32.600 -0.934 0.000 1.683 353 M HN -0.092 nan 8.290 nan 0.000 0.450 354 D N 2.605 122.589 120.400 -0.693 0.000 2.434 354 D HA 0.167 4.807 4.640 0.000 0.000 0.275 354 D C 0.042 176.098 176.300 -0.407 0.000 1.172 354 D CA -0.177 53.454 54.000 -0.615 0.000 0.916 354 D CB 0.211 40.358 40.800 -1.088 0.000 1.041 354 D HN 0.470 nan 8.370 nan 0.000 0.501 355 Y N 0.682 120.883 120.300 -0.164 0.000 2.352 355 Y HA -0.094 4.456 4.550 -0.000 0.000 0.292 355 Y C 2.305 178.164 175.900 -0.068 0.000 1.136 355 Y CA 0.600 58.642 58.100 -0.097 0.000 1.227 355 Y CB 0.420 38.844 38.460 -0.060 0.000 0.991 355 Y HN 0.309 nan 8.280 nan 0.000 0.545 356 E N 0.456 120.704 120.200 0.079 0.000 2.017 356 E HA -0.177 4.173 4.350 0.000 0.000 0.193 356 E C 1.134 177.753 176.600 0.032 0.000 0.997 356 E CA 1.225 57.664 56.400 0.066 0.000 0.804 356 E CB -0.238 29.517 29.700 0.092 0.000 0.757 356 E HN 0.508 nan 8.360 nan 0.000 0.448 357 N N -0.538 118.134 118.700 -0.047 0.000 2.236 357 N HA 0.139 4.879 4.740 0.000 0.000 0.196 357 N C 0.252 175.753 175.510 -0.015 0.000 1.114 357 N CA 0.752 53.789 53.050 -0.021 0.000 0.859 357 N CB 1.618 40.089 38.487 -0.026 0.000 0.982 357 N HN 0.153 nan 8.380 nan 0.000 0.493 358 G N 0.803 109.537 108.800 -0.110 0.000 2.712 358 G HA2 -0.031 3.929 3.960 0.000 0.000 0.686 358 G HA3 -0.031 3.929 3.960 0.000 0.000 0.686 358 G C -0.098 174.481 174.900 -0.536 0.000 1.181 358 G CA -0.181 44.848 45.100 -0.117 0.000 0.762 358 G HN 0.306 nan 8.290 nan 0.000 0.641 359 S N -0.725 114.627 115.700 -0.579 0.000 3.330 359 S HA -0.160 4.310 4.470 0.000 0.000 0.630 359 S C 0.261 174.728 174.600 -0.221 0.000 2.776 359 S CA 2.103 59.942 58.200 -0.601 0.000 3.494 359 S CB -1.041 61.267 63.200 -1.487 0.000 0.291 359 S HN 2.032 nan 8.310 nan 0.000 1.451 360 W N 0.004 120.981 121.300 -0.539 0.000 2.799 360 W HA 0.678 5.338 4.660 0.000 0.000 0.349 360 W C -0.339 175.999 176.519 -0.302 0.000 1.100 360 W CA -1.147 55.972 57.345 -0.375 0.000 1.174 360 W CB -0.091 29.277 29.460 -0.154 0.000 1.427 360 W HN 0.693 nan 8.180 nan 0.000 0.547 361 W N 1.128 122.526 121.300 0.164 0.000 2.126 361 W HA 0.148 4.808 4.660 0.000 0.000 0.346 361 W C 1.694 178.303 176.519 0.150 0.000 1.279 361 W CA -0.076 57.339 57.345 0.116 0.000 1.259 361 W CB 0.468 29.976 29.460 0.080 0.000 1.133 361 W HN 0.324 nan 8.180 nan 0.000 0.592 362 Q N 0.639 120.690 119.800 0.419 0.000 2.259 362 Q HA 0.047 4.387 4.340 0.000 0.000 0.201 362 Q C -0.222 175.893 176.000 0.191 0.000 0.938 362 Q CA 1.186 57.153 55.803 0.273 0.000 0.872 362 Q CB 0.426 29.317 28.738 0.255 0.000 0.971 362 Q HN 0.522 nan 8.270 nan 0.000 0.494 363 E N -0.801 119.496 120.200 0.163 0.000 2.372 363 E HA 0.482 4.832 4.350 0.000 0.000 0.279 363 E C -1.626 174.979 176.600 0.007 0.000 0.946 363 E CA -0.547 55.883 56.400 0.051 0.000 0.769 363 E CB 1.008 30.708 29.700 -0.001 0.000 1.230 363 E HN 0.193 nan 8.360 nan 0.000 0.442 364 L N 2.065 123.273 121.223 -0.026 0.000 2.333 364 L HA 0.502 4.842 4.340 0.000 0.000 0.263 364 L C -0.168 176.653 176.870 -0.083 0.000 1.014 364 L CA -1.254 53.543 54.840 -0.071 0.000 0.820 364 L CB 1.533 43.560 42.059 -0.053 0.000 1.352 364 L HN 0.687 nan 8.230 nan 0.000 0.421 365 D N 0.671 121.012 120.400 -0.099 0.000 2.414 365 D HA 0.168 4.808 4.640 0.000 0.000 0.259 365 D C 0.887 177.130 176.300 -0.096 0.000 1.269 365 D CA -0.174 53.773 54.000 -0.088 0.000 1.028 365 D CB 0.739 41.489 40.800 -0.083 0.000 1.093 365 D HN 0.557 nan 8.370 nan 0.000 0.545 366 A N -0.764 122.003 122.820 -0.088 0.000 2.216 366 A HA -0.095 4.225 4.320 0.000 0.000 0.214 366 A C 1.133 178.647 177.584 -0.117 0.000 1.160 366 A CA 0.925 52.903 52.037 -0.098 0.000 0.725 366 A CB -0.448 18.503 19.000 -0.082 0.000 0.784 366 A HN 0.522 nan 8.150 nan 0.000 0.472 367 D N -0.143 120.186 120.400 -0.118 0.000 2.363 367 D HA 0.044 4.684 4.640 0.000 0.000 0.214 367 D C -0.238 175.940 176.300 -0.203 0.000 1.093 367 D CA -0.054 53.867 54.000 -0.132 0.000 0.837 367 D CB 0.020 40.765 40.800 -0.091 0.000 0.948 367 D HN 0.358 nan 8.370 nan 0.000 0.507 368 N N 1.137 119.703 118.700 -0.224 0.000 2.829 368 N HA -0.182 4.558 4.740 0.000 0.000 0.250 368 N C 0.128 175.506 175.510 -0.221 0.000 1.090 368 N CA 0.668 53.523 53.050 -0.324 0.000 0.781 368 N CB -1.180 36.797 38.487 -0.850 0.000 1.124 368 N HN 0.380 nan 8.380 nan 0.000 0.559 369 K N 1.008 121.315 120.400 -0.155 0.000 2.110 369 K HA 0.431 4.751 4.320 0.000 0.000 0.263 369 K C 0.331 176.809 176.600 -0.203 0.000 0.975 369 K CA -0.510 55.690 56.287 -0.145 0.000 0.895 369 K CB 1.375 33.807 32.500 -0.113 0.000 1.060 369 K HN -0.106 nan 8.250 nan 0.000 0.448 370 V N 3.380 123.093 119.914 -0.334 0.000 2.694 370 V HA 0.003 4.123 4.120 0.000 0.000 0.306 370 V C 0.397 176.312 176.094 -0.298 0.000 1.054 370 V CA 0.353 62.363 62.300 -0.483 0.000 1.161 370 V CB 0.891 32.101 31.823 -1.022 0.000 0.916 370 V HN 0.920 nan 8.190 nan 0.000 0.490 371 T N 3.163 117.593 114.554 -0.208 0.000 2.762 371 T HA 0.843 5.193 4.350 0.000 0.000 0.272 371 T C -0.009 174.656 174.700 -0.059 0.000 0.982 371 T CA -0.140 61.894 62.100 -0.111 0.000 1.013 371 T CB 2.093 70.920 68.868 -0.069 0.000 1.309 371 T HN 0.954 nan 8.240 nan 0.000 0.572 378 K N 1.776 122.359 120.400 0.305 0.000 3.206 378 K HA 0.183 4.503 4.320 0.000 0.000 0.180 378 K C 0.898 177.585 176.600 0.145 0.000 1.088 378 K CA -0.379 56.038 56.287 0.216 0.000 0.872 378 K CB 1.362 33.984 32.500 0.203 0.000 0.976 378 K HN 0.444 nan 8.250 nan 0.000 0.564 379 Q N 0.055 119.792 119.800 -0.105 0.000 2.515 379 Q HA -0.035 4.305 4.340 0.000 0.000 0.212 379 Q C -0.481 175.343 176.000 -0.293 0.000 0.970 379 Q CA 0.876 56.404 55.803 -0.459 0.000 0.941 379 Q CB -0.098 27.741 28.738 -1.498 0.000 0.998 379 Q HN 0.330 nan 8.270 nan 0.000 0.518 380 D N -0.095 120.259 120.400 -0.076 0.000 2.601 380 D HA 0.464 5.104 4.640 0.000 0.000 0.230 380 D C 0.290 176.583 176.300 -0.012 0.000 1.106 380 D CA -0.728 53.257 54.000 -0.025 0.000 0.873 380 D CB 1.283 42.149 40.800 0.111 0.000 1.515 380 D HN 0.091 nan 8.370 nan 0.000 0.468 381 I N 0.001 120.547 120.570 -0.040 0.000 4.765 381 I HA 0.235 4.405 4.170 0.000 0.000 0.349 381 I C 0.955 176.980 176.117 -0.153 0.000 1.278 381 I CA -0.534 60.698 61.300 -0.114 0.000 1.331 381 I CB -0.079 37.877 38.000 -0.074 0.000 1.570 381 I HN 0.400 nan 8.210 nan 0.000 0.538 382 Y N 2.606 122.769 120.300 -0.228 0.000 2.165 382 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 382 Y C 2.546 178.217 175.900 -0.383 0.000 1.155 382 Y CA 2.012 59.949 58.100 -0.272 0.000 1.164 382 Y CB -0.545 37.737 38.460 -0.297 0.000 0.978 382 Y HN 0.189 nan 8.280 nan 0.000 0.513 383 H N 0.390 119.088 119.070 -0.621 0.000 2.387 383 H HA -0.102 4.454 4.556 0.000 0.000 0.299 383 H C 2.324 177.312 175.328 -0.565 0.000 1.090 383 H CA 1.840 57.483 56.048 -0.675 0.000 1.332 383 H CB -0.318 29.341 29.762 -0.171 0.000 1.386 383 H HN 0.423 nan 8.280 nan 0.000 0.516 384 L N 0.576 121.574 121.223 -0.375 0.000 2.261 384 L HA -0.170 4.170 4.340 0.000 0.000 0.216 384 L C 2.346 179.027 176.870 -0.315 0.000 1.114 384 L CA 0.499 55.081 54.840 -0.430 0.000 0.777 384 L CB -0.321 41.395 42.059 -0.571 0.000 0.910 384 L HN 0.200 nan 8.230 nan 0.000 0.440 385 L N -1.338 119.657 121.223 -0.381 0.000 2.362 385 L HA -0.179 4.161 4.340 0.000 0.000 0.219 385 L C 2.121 178.955 176.870 -0.060 0.000 1.134 385 L CA 0.893 55.590 54.840 -0.238 0.000 0.807 385 L CB -0.696 41.225 42.059 -0.231 0.000 0.927 385 L HN 0.398 nan 8.230 nan 0.000 0.447 386 H N -1.108 117.932 119.070 -0.050 0.000 2.529 386 H HA -0.091 4.465 4.556 -0.000 0.000 0.277 386 H C 2.150 177.548 175.328 0.116 0.000 0.999 386 H CA 1.021 57.092 56.048 0.040 0.000 1.256 386 H CB 0.217 29.999 29.762 0.033 0.000 1.402 386 H HN 0.582 nan 8.280 nan 0.000 0.566 387 C N -1.476 117.949 119.300 0.208 0.000 3.403 387 C HA 0.356 4.816 4.460 0.000 0.000 0.317 387 C C 1.765 177.026 174.990 0.453 0.000 1.346 387 C CA -0.595 58.610 59.018 0.312 0.000 1.743 387 C CB -0.555 27.257 27.740 0.119 0.000 2.308 387 C HN 0.377 nan 8.230 nan 0.000 0.675 388 L N 0.539 121.921 121.223 0.264 0.000 2.362 388 L HA 0.198 4.538 4.340 0.000 0.000 0.204 388 L C 2.514 179.456 176.870 0.120 0.000 1.060 388 L CA 0.701 55.682 54.840 0.235 0.000 0.827 388 L CB -0.114 41.980 42.059 0.058 0.000 1.027 388 L HN 0.171 nan 8.230 nan 0.000 0.474 389 V N -0.461 119.493 119.914 0.067 0.000 2.690 389 V HA -0.023 4.097 4.120 0.000 0.000 0.240 389 V C 2.207 178.329 176.094 0.047 0.000 1.078 389 V CA 0.594 62.923 62.300 0.049 0.000 1.102 389 V CB 0.431 32.277 31.823 0.038 0.000 0.800 389 V HN 0.195 nan 8.190 nan 0.000 0.479 390 I N 1.668 122.285 120.570 0.079 0.000 2.145 390 I HA -0.173 3.997 4.170 0.000 0.000 0.244 390 I C -0.312 175.639 176.117 -0.276 0.000 1.075 390 I CA 1.827 63.161 61.300 0.057 0.000 1.332 390 I CB -1.242 36.871 38.000 0.187 0.000 1.033 390 I HN 0.372 nan 8.210 nan 0.000 0.410 391 P HA -0.091 nan 4.420 nan 0.000 0.239 391 P C 0.832 177.782 177.300 -0.584 0.000 1.184 391 P CA 1.127 63.359 63.100 -1.446 0.000 0.760 391 P CB -0.162 31.215 31.700 -0.538 0.000 0.884 392 R N -0.266 120.129 120.500 -0.176 0.000 2.397 392 R HA 0.312 4.652 4.340 0.000 0.000 0.241 392 R C 1.145 177.499 176.300 0.090 0.000 0.914 392 R CA 0.057 56.174 56.100 0.029 0.000 1.071 392 R CB 0.281 30.612 30.300 0.053 0.000 1.116 392 R HN 0.308 nan 8.270 nan 0.000 0.524 393 I N -2.860 117.771 120.570 0.102 0.000 3.042 393 I HA 0.627 4.797 4.170 0.000 0.000 0.310 393 I C -2.849 173.412 176.117 0.241 0.000 1.117 393 I CA -3.250 58.145 61.300 0.158 0.000 1.003 393 I CB 1.892 39.970 38.000 0.130 0.000 1.228 393 I HN -0.343 nan 8.210 nan 0.000 0.443 394 P HA 0.230 nan 4.420 nan 0.000 0.274 394 P C 0.415 177.842 177.300 0.212 0.000 1.264 394 P CA -0.328 62.878 63.100 0.177 0.000 0.795 394 P CB 0.615 32.388 31.700 0.122 0.000 1.064 395 L N -1.053 120.268 121.223 0.164 0.000 2.492 395 L HA 0.230 4.570 4.340 0.000 0.000 0.223 395 L C 0.825 177.866 176.870 0.285 0.000 1.132 395 L CA 0.420 55.386 54.840 0.211 0.000 0.850 395 L CB -0.303 41.766 42.059 0.016 0.000 0.966 395 L HN 0.315 nan 8.230 nan 0.000 0.454 396 A N 0.096 123.031 122.820 0.191 0.000 2.455 396 A HA 0.679 4.999 4.320 0.000 0.000 0.300 396 A C -2.441 175.225 177.584 0.138 0.000 1.040 396 A CA -1.026 51.117 52.037 0.177 0.000 0.697 396 A CB 1.032 20.127 19.000 0.158 0.000 1.265 396 A HN -0.176 nan 8.150 nan 0.000 0.407 397 P HA 0.361 nan 4.420 nan 0.000 0.293 397 P C 0.756 178.131 177.300 0.125 0.000 1.298 397 P CA 0.063 63.242 63.100 0.132 0.000 0.757 397 P CB 0.313 32.065 31.700 0.086 0.000 1.262 398 G N -0.822 108.032 108.800 0.090 0.000 2.716 398 G HA2 0.038 3.998 3.960 0.000 0.000 0.251 398 G HA3 0.038 3.998 3.960 0.000 0.000 0.251 398 G C 1.019 175.952 174.900 0.056 0.000 1.224 398 G CA -0.180 44.937 45.100 0.027 0.000 0.891 398 G HN 0.634 nan 8.290 nan 0.000 0.561 399 M N 0.889 120.521 119.600 0.053 0.000 2.115 399 M HA -0.167 4.313 4.480 0.000 0.000 0.258 399 M C 2.684 179.033 176.300 0.081 0.000 1.071 399 M CA 2.745 58.103 55.300 0.097 0.000 1.100 399 M CB -0.445 32.239 32.600 0.140 0.000 1.292 399 M HN 0.588 nan 8.290 nan 0.000 0.415 400 A N 0.355 123.227 122.820 0.086 0.000 1.859 400 A HA -0.148 4.172 4.320 0.000 0.000 0.217 400 A C -0.236 177.374 177.584 0.043 0.000 1.198 400 A CA 2.076 54.142 52.037 0.049 0.000 0.629 400 A CB -2.295 16.742 19.000 0.062 0.000 0.830 400 A HN 0.486 nan 8.150 nan 0.000 0.446 401 P HA -0.168 nan 4.420 nan 0.000 0.215 401 P C 1.771 179.095 177.300 0.041 0.000 1.157 401 P CA 2.148 65.264 63.100 0.028 0.000 0.874 401 P CB -0.162 31.547 31.700 0.014 0.000 0.790 402 A N -0.768 122.088 122.820 0.059 0.000 1.902 402 A HA -0.163 4.157 4.320 0.000 0.000 0.217 402 A C 2.329 179.951 177.584 0.063 0.000 1.181 402 A CA 1.938 54.017 52.037 0.070 0.000 0.623 402 A CB -1.720 17.337 19.000 0.094 0.000 0.818 402 A HN 0.039 nan 8.150 nan 0.000 0.443 403 V N -0.225 119.725 119.914 0.060 0.000 2.358 403 V HA -0.203 3.917 4.120 0.000 0.000 0.246 403 V C 3.002 179.121 176.094 0.042 0.000 1.047 403 V CA 1.825 64.158 62.300 0.054 0.000 1.035 403 V CB -1.202 30.653 31.823 0.053 0.000 0.658 403 V HN 0.599 nan 8.190 nan 0.000 0.452 404 A N -0.018 122.824 122.820 0.036 0.000 2.015 404 A HA 0.024 4.344 4.320 0.000 0.000 0.219 404 A C 2.220 179.820 177.584 0.027 0.000 1.163 404 A CA 1.609 53.663 52.037 0.028 0.000 0.646 404 A CB -0.512 18.504 19.000 0.026 0.000 0.806 404 A HN 0.577 nan 8.150 nan 0.000 0.448 405 A N -1.552 121.287 122.820 0.033 0.000 2.238 405 A HA 0.406 4.726 4.320 0.000 0.000 0.208 405 A C 1.712 179.317 177.584 0.036 0.000 1.177 405 A CA 1.116 53.172 52.037 0.033 0.000 0.804 405 A CB -0.986 18.037 19.000 0.039 0.000 0.823 405 A HN 1.853 nan 8.150 nan 0.000 0.482 406 G N -0.910 107.913 108.800 0.037 0.000 2.160 406 G HA2 -0.230 3.730 3.960 0.000 0.000 0.244 406 G HA3 -0.230 3.730 3.960 0.000 0.000 0.244 406 G C 0.485 175.413 174.900 0.047 0.000 1.022 406 G CA 0.392 45.516 45.100 0.038 0.000 0.741 406 G HN 0.512 nan 8.290 nan 0.000 0.508 407 L N -0.639 120.618 121.223 0.056 0.000 2.612 407 L HA 0.307 4.647 4.340 0.000 0.000 0.230 407 L C 1.381 178.295 176.870 0.074 0.000 1.140 407 L CA -0.583 54.297 54.840 0.066 0.000 0.896 407 L CB -0.046 42.057 42.059 0.074 0.000 1.065 407 L HN 0.264 nan 8.230 nan 0.000 0.447 408 L N 1.401 122.664 121.223 0.067 0.000 2.584 408 L HA -0.051 4.289 4.340 0.000 0.000 0.272 408 L C 0.645 177.559 176.870 0.073 0.000 1.195 408 L CA 0.944 55.826 54.840 0.070 0.000 0.920 408 L CB -0.381 41.714 42.059 0.061 0.000 1.173 408 L HN 0.235 nan 8.230 nan 0.000 0.489 409 D N 2.571 123.023 120.400 0.086 0.000 3.077 409 D HA -0.306 4.334 4.640 0.000 0.000 0.217 409 D C 1.502 177.860 176.300 0.096 0.000 1.162 409 D CA 1.167 55.224 54.000 0.096 0.000 0.943 409 D CB -1.007 39.841 40.800 0.081 0.000 1.122 409 D HN 0.580 nan 8.370 nan 0.000 0.413 410 I N 1.324 121.949 120.570 0.092 0.000 2.185 410 I HA -0.278 3.892 4.170 0.000 0.000 0.246 410 I C 1.417 177.589 176.117 0.090 0.000 1.088 410 I CA 1.905 63.255 61.300 0.083 0.000 1.347 410 I CB -0.025 38.023 38.000 0.080 0.000 1.041 410 I HN 0.086 nan 8.210 nan 0.000 0.415 411 N N 0.637 119.404 118.700 0.113 0.000 2.270 411 N HA 0.271 5.011 4.740 0.000 0.000 0.198 411 N C 0.148 175.741 175.510 0.138 0.000 1.117 411 N CA 0.577 53.698 53.050 0.119 0.000 0.845 411 N CB 0.095 38.661 38.487 0.132 0.000 0.980 411 N HN 0.367 nan 8.380 nan 0.000 0.486 412 A N 0.464 123.365 122.820 0.135 0.000 2.295 412 A HA 0.590 4.910 4.320 0.000 0.000 0.318 412 A C 0.411 178.063 177.584 0.113 0.000 1.134 412 A CA -0.309 51.814 52.037 0.144 0.000 0.827 412 A CB 1.676 20.768 19.000 0.152 0.000 1.136 412 A HN -0.020 nan 8.150 nan 0.000 0.493 413 K N 0.000 120.469 120.400 0.115 0.000 2.780 413 K HA 0.000 4.320 4.320 0.000 0.000 0.191 413 K CA 0.000 56.341 56.287 0.090 0.000 0.838 413 K CB 0.000 32.551 32.500 0.086 0.000 1.064 413 K HN 0.000 nan 8.250 nan 0.000 0.543