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 1g72_1_A DATA FIRST_RESID 1 DATA SEQUENCE DADLDKQVNT AGAWPIATGG YYSQHNSPLA QINKSNVKNV KAAWSFSTGV DATA SEQUENCE LNGHEGAPLV IGDMMYVHSA FPNNTYALNL NDPGKIVWQH KPKQDASTKA DATA SEQUENCE VMCCDVVDRG LAYGAGQIVK KQANGHLLAL DAKTGKINWE VEVcDPKVGS DATA SEQUENCE TLTQAPFVAK DTVLMGcSGA ELGVRGAVNA FDLKTGELKW RAFATGSDDS DATA SEQUENCE VRLAKDFNSA NPHYGQFGLG TKTWEGDAWK IGGGTNWGWY AYDPKLNLFY DATA SEQUENCE YGSGNPAPWN ETMRPGDNKW TMTIWGRDLD TGMAKWGYQK TPHDEWDFAG DATA SEQUENCE VNQMVLTDQP VNGKMTPLLS HIDRNGILYT LNRENGNLIV AEKVDPAVNV DATA SEQUENCE FKKVDLKTGT PVRDPEFATR MDHKGTNIcP SAMGFHNQGV DSYDPESRTL DATA SEQUENCE YAGLNHIcMD WEPFMLPYRA GQFFVGATLA MYPGPNGPTK KEMGQIRAFD DATA SEQUENCE LTTGKAKWTK WEKFAAWGGT LYTKGGLVWY ATLDGYLKAL DNKDGKELWN DATA SEQUENCE FKMPSGGIGS PMTYSFKGKQ YIGSMYGVGG WPGVGLVFDL TDPSAGLGAV DATA SEQUENCE GAFRELQNHT QMGGGLMVFS L 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.334 176.300 0.056 0.000 2.045 1 D CA 0.000 54.008 54.000 0.014 0.000 0.868 1 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 2 A N 0.062 122.911 122.820 0.047 0.000 1.940 2 A HA -0.197 4.127 4.320 0.006 0.000 0.219 2 A C 1.672 179.303 177.584 0.078 0.000 1.176 2 A CA 2.711 54.786 52.037 0.063 0.000 0.631 2 A CB -0.949 18.078 19.000 0.046 0.000 0.814 2 A HN 0.633 nan 8.150 nan 0.000 0.446 3 D N -0.534 119.908 120.400 0.070 0.000 2.097 3 D HA -0.149 4.495 4.640 0.006 0.000 0.195 3 D C 1.773 178.179 176.300 0.177 0.000 0.989 3 D CA 1.383 55.448 54.000 0.109 0.000 0.827 3 D CB -0.262 40.585 40.800 0.079 0.000 0.966 3 D HN 0.257 nan 8.370 nan 0.000 0.456 4 L N 0.708 122.032 121.223 0.167 0.000 2.017 4 L HA -0.132 4.212 4.340 0.006 0.000 0.208 4 L C 1.534 178.481 176.870 0.129 0.000 1.073 4 L CA 1.922 56.878 54.840 0.192 0.000 0.745 4 L CB -0.813 41.329 42.059 0.138 0.000 0.894 4 L HN -0.051 nan 8.230 nan 0.000 0.432 5 D N -0.234 120.260 120.400 0.156 0.000 2.123 5 D HA -0.253 4.390 4.640 0.006 0.000 0.196 5 D C 2.135 178.493 176.300 0.097 0.000 0.992 5 D CA 1.508 55.605 54.000 0.161 0.000 0.833 5 D CB -0.085 40.813 40.800 0.164 0.000 0.954 5 D HN 0.425 nan 8.370 nan 0.000 0.455 6 K N 0.278 120.731 120.400 0.089 0.000 2.057 6 K HA -0.169 4.154 4.320 0.006 0.000 0.207 6 K C 1.985 178.613 176.600 0.047 0.000 1.049 6 K CA 1.092 57.420 56.287 0.068 0.000 0.931 6 K CB 0.204 32.749 32.500 0.074 0.000 0.714 6 K HN -0.042 nan 8.250 nan 0.000 0.440 7 Q N 0.248 120.071 119.800 0.039 0.000 2.119 7 Q HA -0.093 4.251 4.340 0.006 0.000 0.201 7 Q C 2.261 178.240 176.000 -0.035 0.000 0.972 7 Q CA 1.086 56.879 55.803 -0.017 0.000 0.847 7 Q CB -0.388 28.294 28.738 -0.093 0.000 0.903 7 Q HN 0.195 nan 8.270 nan 0.000 0.433 8 V N 1.862 121.749 119.914 -0.045 0.000 2.407 8 V HA -0.248 3.876 4.120 0.006 0.000 0.248 8 V C 1.371 177.447 176.094 -0.030 0.000 1.055 8 V CA 1.850 64.097 62.300 -0.087 0.000 1.049 8 V CB -0.622 31.125 31.823 -0.127 0.000 0.662 8 V HN 0.444 nan 8.190 nan 0.000 0.455 9 N N -1.045 117.661 118.700 0.010 0.000 2.383 9 N HA 0.002 4.746 4.740 0.006 0.000 0.192 9 N C 0.074 175.602 175.510 0.029 0.000 1.141 9 N CA -0.028 53.037 53.050 0.026 0.000 0.851 9 N CB 0.212 38.724 38.487 0.041 0.000 0.976 9 N HN 0.345 nan 8.380 nan 0.000 0.465 10 T N 1.194 115.763 114.554 0.026 0.000 2.733 10 T HA 0.392 4.745 4.350 0.006 0.000 0.294 10 T C 0.234 174.965 174.700 0.051 0.000 0.956 10 T CA -0.641 61.481 62.100 0.038 0.000 0.987 10 T CB 1.227 70.116 68.868 0.036 0.000 0.920 10 T HN 0.111 nan 8.240 nan 0.000 0.470 11 A N 2.524 125.377 122.820 0.056 0.000 2.540 11 A HA 0.516 4.840 4.320 0.006 0.000 0.239 11 A C 1.611 179.254 177.584 0.098 0.000 1.061 11 A CA 0.376 52.455 52.037 0.069 0.000 0.758 11 A CB -0.672 18.362 19.000 0.057 0.000 0.991 11 A HN 1.551 nan 8.150 nan 0.000 0.502 12 G N 0.404 109.280 108.800 0.127 0.000 2.179 12 G HA2 0.136 4.100 3.960 0.006 0.000 0.260 12 G HA3 0.136 4.100 3.960 0.006 0.000 0.260 12 G C 0.568 175.615 174.900 0.245 0.000 0.977 12 G CA 0.648 45.858 45.100 0.183 0.000 0.641 12 G HN 2.163 nan 8.290 nan 0.000 0.533 13 A N -0.382 122.550 122.820 0.187 0.000 2.264 13 A HA 0.697 5.020 4.320 0.006 0.000 0.304 13 A C -0.129 177.611 177.584 0.260 0.000 1.100 13 A CA -0.072 52.070 52.037 0.175 0.000 0.839 13 A CB 0.743 19.782 19.000 0.066 0.000 1.121 13 A HN 1.177 nan 8.150 nan 0.000 0.496 14 W N 3.229 124.529 121.300 -0.000 0.000 2.330 14 W HA 0.331 4.994 4.660 0.006 0.000 0.286 14 W C -2.765 173.737 176.519 -0.028 0.000 1.019 14 W CA -1.519 55.830 57.345 0.008 0.000 1.485 14 W CB 2.181 31.670 29.460 0.048 0.000 1.457 14 W HN 0.636 nan 8.180 nan 0.000 0.359 15 P HA 0.156 nan 4.420 nan 0.000 0.257 15 P C 0.182 177.378 177.300 -0.173 0.000 1.241 15 P CA 0.662 63.661 63.100 -0.169 0.000 0.816 15 P CB 1.434 33.006 31.700 -0.214 0.000 1.150 16 I N -0.468 119.888 120.570 -0.357 0.000 2.499 16 I HA 0.331 4.504 4.170 0.006 0.000 0.288 16 I C 1.444 177.429 176.117 -0.221 0.000 1.048 16 I CA -1.004 60.136 61.300 -0.266 0.000 1.062 16 I CB 2.138 39.942 38.000 -0.328 0.000 1.238 16 I HN -0.278 nan 8.210 nan 0.000 0.426 17 A N 3.812 126.718 122.820 0.144 0.000 1.958 17 A HA -0.213 4.110 4.320 0.006 0.000 0.221 17 A C 1.873 179.677 177.584 0.366 0.000 1.178 17 A CA 2.699 54.972 52.037 0.393 0.000 0.642 17 A CB -0.879 18.437 19.000 0.527 0.000 0.816 17 A HN 0.814 nan 8.150 nan 0.000 0.453 18 T N -4.477 110.215 114.554 0.229 0.000 3.188 18 T HA 0.443 4.796 4.350 0.006 0.000 0.250 18 T C 1.323 176.145 174.700 0.203 0.000 1.077 18 T CA 0.920 63.147 62.100 0.212 0.000 0.967 18 T CB 0.159 69.152 68.868 0.210 0.000 1.006 18 T HN 1.746 nan 8.240 nan 0.000 0.552 19 G N -0.104 108.555 108.800 -0.236 0.000 2.225 19 G HA2 0.189 4.152 3.960 0.006 0.000 0.254 19 G HA3 0.189 4.152 3.960 0.006 0.000 0.254 19 G C 0.509 175.163 174.900 -0.410 0.000 0.988 19 G CA -0.347 44.352 45.100 -0.668 0.000 0.625 19 G HN 1.666 nan 8.290 nan 0.000 0.527 20 G N -2.584 106.090 108.800 -0.210 0.000 2.337 20 G HA2 0.488 4.451 3.960 0.006 0.000 0.298 20 G HA3 0.488 4.451 3.960 0.006 0.000 0.298 20 G C 0.079 175.008 174.900 0.049 0.000 1.335 20 G CA 0.299 45.286 45.100 -0.187 0.000 0.875 20 G HN 0.431 nan 8.290 nan 0.000 0.579 21 Y N -0.302 120.129 120.300 0.218 0.000 2.207 21 Y HA -0.046 4.507 4.550 0.006 0.000 0.287 21 Y C 2.556 178.824 175.900 0.613 0.000 1.156 21 Y CA 1.981 60.360 58.100 0.464 0.000 1.182 21 Y CB -0.427 38.297 38.460 0.441 0.000 0.979 21 Y HN 0.575 nan 8.280 nan 0.000 0.521 22 Y N -0.725 119.809 120.300 0.389 0.000 2.561 22 Y HA -0.064 4.490 4.550 0.006 0.000 0.291 22 Y C 1.127 177.165 175.900 0.231 0.000 1.141 22 Y CA 0.209 58.471 58.100 0.270 0.000 1.303 22 Y CB -0.019 38.553 38.460 0.187 0.000 1.015 22 Y HN -0.077 nan 8.280 nan 0.000 0.547 23 S N 0.499 116.445 115.700 0.410 0.000 3.641 23 S HA -0.283 4.191 4.470 0.006 0.000 0.346 23 S C 0.791 175.557 174.600 0.275 0.000 1.074 23 S CA 0.603 58.989 58.200 0.310 0.000 1.026 23 S CB -1.487 61.893 63.200 0.300 0.000 0.908 23 S HN 0.630 nan 8.310 nan 0.000 0.479 24 Q N -0.016 119.969 119.800 0.309 0.000 2.432 24 Q HA 0.040 4.384 4.340 0.006 0.000 0.205 24 Q C 0.708 176.961 176.000 0.421 0.000 0.945 24 Q CA 0.236 56.248 55.803 0.347 0.000 0.924 24 Q CB 0.034 29.011 28.738 0.399 0.000 1.016 24 Q HN 0.810 nan 8.270 nan 0.000 0.503 25 H N 1.334 120.556 119.070 0.254 0.000 2.506 25 H HA -0.175 4.385 4.556 0.006 0.000 0.323 25 H C -0.887 174.700 175.328 0.430 0.000 1.076 25 H CA 0.945 57.193 56.048 0.333 0.000 1.108 25 H CB -1.293 28.648 29.762 0.297 0.000 1.569 25 H HN 0.588 nan 8.280 nan 0.000 0.399 26 N N -0.644 118.246 118.700 0.316 0.000 2.761 26 N HA 0.580 5.324 4.740 0.006 0.000 0.283 26 N C -1.241 174.427 175.510 0.264 0.000 1.377 26 N CA -0.666 52.581 53.050 0.328 0.000 0.791 26 N CB 2.697 41.450 38.487 0.442 0.000 1.540 26 N HN 0.121 nan 8.380 nan 0.000 0.539 27 S N -0.644 115.172 115.700 0.193 0.000 2.533 27 S HA 0.425 4.899 4.470 0.006 0.000 0.271 27 S C -2.503 172.145 174.600 0.080 0.000 1.143 27 S CA -1.193 57.096 58.200 0.148 0.000 0.891 27 S CB 1.908 65.189 63.200 0.135 0.000 1.105 27 S HN 0.570 nan 8.310 nan 0.000 0.468 28 P HA 0.190 nan 4.420 nan 0.000 0.245 28 P C 0.080 177.395 177.300 0.026 0.000 1.206 28 P CA 0.014 63.151 63.100 0.061 0.000 0.781 28 P CB -0.035 31.708 31.700 0.071 0.000 0.994 29 L N 0.683 121.915 121.223 0.015 0.000 2.534 29 L HA 0.134 4.477 4.340 0.006 0.000 0.271 29 L C 1.293 178.139 176.870 -0.039 0.000 1.178 29 L CA -0.073 54.759 54.840 -0.013 0.000 0.907 29 L CB 0.193 42.236 42.059 -0.027 0.000 1.164 29 L HN -0.011 nan 8.230 nan 0.000 0.482 30 A N 2.864 125.664 122.820 -0.033 0.000 2.589 30 A HA 0.079 4.403 4.320 0.006 0.000 0.283 30 A C 1.555 179.112 177.584 -0.044 0.000 1.187 30 A CA -0.342 51.673 52.037 -0.037 0.000 0.957 30 A CB 0.210 19.199 19.000 -0.018 0.000 1.175 30 A HN 0.869 nan 8.150 nan 0.000 0.532 31 Q N 0.122 119.886 119.800 -0.060 0.000 2.061 31 Q HA -0.066 4.278 4.340 0.006 0.000 0.204 31 Q C 0.104 176.058 176.000 -0.076 0.000 0.984 31 Q CA 1.232 56.992 55.803 -0.072 0.000 0.846 31 Q CB -0.099 28.579 28.738 -0.100 0.000 0.902 31 Q HN 0.675 nan 8.270 nan 0.000 0.421 32 I N 2.186 122.709 120.570 -0.079 0.000 2.371 32 I HA 0.137 4.310 4.170 0.006 0.000 0.290 32 I C -0.394 175.703 176.117 -0.032 0.000 1.028 32 I CA -0.615 60.650 61.300 -0.058 0.000 1.345 32 I CB 0.889 38.876 38.000 -0.022 0.000 1.407 32 I HN 0.331 nan 8.210 nan 0.000 0.501 33 N N 4.120 122.788 118.700 -0.053 0.000 3.157 33 N HA 0.338 5.082 4.740 0.006 0.000 0.291 33 N C -0.107 175.352 175.510 -0.085 0.000 1.515 33 N CA -1.037 51.977 53.050 -0.060 0.000 0.807 33 N CB 0.724 39.184 38.487 -0.045 0.000 1.672 33 N HN 0.222 nan 8.380 nan 0.000 0.592 34 K N -0.373 119.978 120.400 -0.082 0.000 2.152 34 K HA -0.058 4.266 4.320 0.006 0.000 0.206 34 K C 1.087 177.644 176.600 -0.071 0.000 1.048 34 K CA 1.752 57.985 56.287 -0.090 0.000 0.933 34 K CB -0.274 32.183 32.500 -0.071 0.000 0.721 34 K HN 0.477 nan 8.250 nan 0.000 0.447 35 S N 1.351 117.018 115.700 -0.055 0.000 2.436 35 S HA -0.070 4.403 4.470 0.006 0.000 0.228 35 S C 1.296 175.870 174.600 -0.043 0.000 1.014 35 S CA 1.345 59.519 58.200 -0.043 0.000 0.950 35 S CB -0.110 63.070 63.200 -0.033 0.000 0.784 35 S HN 0.497 nan 8.310 nan 0.000 0.504 36 N N 0.165 118.832 118.700 -0.055 0.000 2.171 36 N HA 0.128 4.872 4.740 0.006 0.000 0.212 36 N C 1.040 176.501 175.510 -0.082 0.000 1.184 36 N CA -0.025 52.991 53.050 -0.056 0.000 0.888 36 N CB -0.456 37.997 38.487 -0.056 0.000 1.038 36 N HN 0.136 nan 8.380 nan 0.000 0.517 37 V N 2.024 121.869 119.914 -0.114 0.000 2.546 37 V HA -0.286 3.837 4.120 0.006 0.000 0.254 37 V C 2.129 178.112 176.094 -0.185 0.000 1.076 37 V CA 2.332 64.509 62.300 -0.205 0.000 1.087 37 V CB -0.570 31.090 31.823 -0.272 0.000 0.674 37 V HN 0.588 nan 8.190 nan 0.000 0.470 38 K N -0.357 120.029 120.400 -0.022 0.000 2.360 38 K HA -0.139 4.185 4.320 0.006 0.000 0.201 38 K C 1.334 178.021 176.600 0.145 0.000 1.046 38 K CA 1.807 58.172 56.287 0.131 0.000 0.945 38 K CB -0.458 32.094 32.500 0.087 0.000 0.750 38 K HN 0.485 nan 8.250 nan 0.000 0.464 39 N N 1.210 119.929 118.700 0.032 0.000 2.336 39 N HA 0.038 4.782 4.740 0.006 0.000 0.189 39 N C -0.268 175.255 175.510 0.023 0.000 1.113 39 N CA 0.049 53.125 53.050 0.043 0.000 0.858 39 N CB 0.457 38.947 38.487 0.005 0.000 0.970 39 N HN -0.028 nan 8.380 nan 0.000 0.471 40 V N 2.711 122.569 119.914 -0.094 0.000 2.655 40 V HA -0.007 4.117 4.120 0.006 0.000 0.300 40 V C 0.566 176.754 176.094 0.158 0.000 1.044 40 V CA 0.302 62.503 62.300 -0.165 0.000 1.095 40 V CB 0.375 31.805 31.823 -0.655 0.000 0.952 40 V HN 0.303 nan 8.190 nan 0.000 0.485 41 K N 3.704 124.202 120.400 0.163 0.000 2.480 41 K HA 0.861 5.185 4.320 0.006 0.000 0.258 41 K C -0.696 176.007 176.600 0.172 0.000 0.990 41 K CA -0.922 55.514 56.287 0.248 0.000 0.857 41 K CB 2.077 34.664 32.500 0.144 0.000 1.384 41 K HN 0.591 nan 8.250 nan 0.000 0.446 42 A N 0.591 123.399 122.820 -0.020 0.000 2.520 42 A HA 0.421 4.744 4.320 0.006 0.000 0.245 42 A C 0.824 178.264 177.584 -0.241 0.000 1.072 42 A CA 0.349 52.111 52.037 -0.460 0.000 0.761 42 A CB 0.193 18.814 19.000 -0.632 0.000 1.004 42 A HN 0.899 nan 8.150 nan 0.000 0.499 43 A N 3.496 126.147 122.820 -0.283 0.000 1.887 43 A HA 0.513 4.837 4.320 0.006 0.000 0.210 43 A C 0.670 178.337 177.584 0.139 0.000 1.221 43 A CA 1.117 53.154 52.037 0.000 0.000 0.635 43 A CB 0.008 19.098 19.000 0.150 0.000 0.881 43 A HN 1.471 nan 8.150 nan 0.000 0.456 44 W N -2.013 119.194 121.300 -0.155 0.000 2.982 44 W HA 0.581 5.245 4.660 0.008 0.000 0.344 44 W C -1.121 175.323 176.519 -0.124 0.000 1.215 44 W CA -0.170 57.107 57.345 -0.113 0.000 1.182 44 W CB 0.219 29.633 29.460 -0.077 0.000 1.437 44 W HN 0.490 nan 8.180 nan 0.000 0.570 45 S N 0.437 116.319 115.700 0.303 0.000 2.618 45 S HA 0.896 5.370 4.470 0.006 0.000 0.277 45 S C -1.814 173.041 174.600 0.425 0.000 1.138 45 S CA -0.694 57.619 58.200 0.190 0.000 0.844 45 S CB 3.154 66.409 63.200 0.091 0.000 1.127 45 S HN 0.803 nan 8.310 nan 0.000 0.474 46 F N 1.079 121.113 119.950 0.140 0.000 2.630 46 F HA 0.629 5.160 4.527 0.006 0.000 0.325 46 F C -0.556 175.218 175.800 -0.044 0.000 1.184 46 F CA -0.249 57.795 58.000 0.073 0.000 1.011 46 F CB 1.964 41.039 39.000 0.126 0.000 1.268 46 F HN 0.792 nan 8.300 nan 0.000 0.480 47 S N 2.729 118.014 115.700 -0.690 0.000 2.525 47 S HA 0.329 4.803 4.470 0.006 0.000 0.278 47 S C 1.080 175.123 174.600 -0.928 0.000 1.234 47 S CA 0.196 58.045 58.200 -0.586 0.000 1.058 47 S CB 1.142 64.140 63.200 -0.336 0.000 0.983 47 S HN 0.837 nan 8.310 nan 0.000 0.495 48 T N 1.569 115.806 114.554 -0.529 0.000 3.067 48 T HA 0.238 4.592 4.350 0.006 0.000 0.261 48 T C 1.507 176.095 174.700 -0.187 0.000 1.110 48 T CA 0.704 62.598 62.100 -0.344 0.000 1.113 48 T CB -0.556 68.383 68.868 0.118 0.000 0.917 48 T HN 1.587 nan 8.240 nan 0.000 0.499 49 G N 0.473 109.166 108.800 -0.179 0.000 2.148 49 G HA2 -0.184 3.779 3.960 0.006 0.000 0.254 49 G HA3 -0.184 3.779 3.960 0.006 0.000 0.254 49 G C -0.015 174.899 174.900 0.024 0.000 0.981 49 G CA 0.063 45.117 45.100 -0.077 0.000 0.670 49 G HN 0.791 nan 8.290 nan 0.000 0.528 50 V N 0.487 120.445 119.914 0.074 0.000 2.823 50 V HA 0.770 4.894 4.120 0.006 0.000 0.312 50 V C 0.768 176.974 176.094 0.187 0.000 1.072 50 V CA -0.970 61.423 62.300 0.154 0.000 0.937 50 V CB 2.102 34.059 31.823 0.224 0.000 1.013 50 V HN 0.240 nan 8.190 nan 0.000 0.430 51 L N 1.626 122.950 121.223 0.169 0.000 2.805 51 L HA 0.683 5.027 4.340 0.006 0.000 0.242 51 L C 0.384 177.381 176.870 0.211 0.000 1.180 51 L CA -0.759 54.165 54.840 0.140 0.000 1.001 51 L CB 0.655 42.747 42.059 0.055 0.000 1.864 51 L HN 0.819 nan 8.230 nan 0.000 0.551 52 N N -1.062 117.701 118.700 0.105 0.000 6.584 52 N HA -0.146 4.598 4.740 0.006 0.000 0.411 52 N C -0.363 175.263 175.510 0.193 0.000 0.981 52 N CA 0.792 53.884 53.050 0.070 0.000 1.762 52 N CB -0.522 38.000 38.487 0.058 0.000 0.760 52 N HN 0.869 nan 8.380 nan 0.000 0.447 53 G N 0.182 109.060 108.800 0.129 0.000 2.313 53 G HA2 0.231 4.195 3.960 0.006 0.000 0.250 53 G HA3 0.231 4.195 3.960 0.006 0.000 0.250 53 G C -0.419 174.595 174.900 0.189 0.000 1.281 53 G CA 0.290 45.500 45.100 0.184 0.000 0.917 53 G HN 0.496 nan 8.290 nan 0.000 0.501 54 H N 1.709 120.837 119.070 0.096 0.000 2.643 54 H HA 0.265 4.824 4.556 0.005 0.000 0.259 54 H C 0.513 175.933 175.328 0.153 0.000 1.298 54 H CA -0.348 55.740 56.048 0.067 0.000 1.301 54 H CB 0.489 30.230 29.762 -0.035 0.000 1.422 54 H HN 0.610 nan 8.280 nan 0.000 0.521 55 E N 0.969 121.336 120.200 0.278 0.000 2.359 55 E HA 0.492 4.846 4.350 0.006 0.000 0.255 55 E C 0.788 177.681 176.600 0.488 0.000 1.191 55 E CA -0.141 56.494 56.400 0.391 0.000 0.952 55 E CB 1.006 30.959 29.700 0.421 0.000 1.152 55 E HN 0.702 nan 8.360 nan 0.000 0.496 56 G N -0.323 108.802 108.800 0.541 0.000 2.645 56 G HA2 0.061 4.025 3.960 0.006 0.000 0.239 56 G HA3 0.061 4.025 3.960 0.006 0.000 0.239 56 G C -0.793 174.416 174.900 0.514 0.000 1.331 56 G CA -0.424 45.035 45.100 0.598 0.000 0.890 56 G HN 0.915 nan 8.290 nan 0.000 0.572 57 A N -0.473 122.665 122.820 0.529 0.000 2.612 57 A HA 0.918 5.242 4.320 0.006 0.000 0.293 57 A C -2.670 175.138 177.584 0.374 0.000 1.075 57 A CA 0.008 52.270 52.037 0.375 0.000 0.680 57 A CB 1.565 20.726 19.000 0.268 0.000 1.279 57 A HN 1.140 nan 8.150 nan 0.000 0.411 58 P HA 0.473 nan 4.420 nan 0.000 0.273 58 P C -0.839 176.599 177.300 0.231 0.000 1.250 58 P CA -0.070 63.158 63.100 0.214 0.000 0.793 58 P CB 0.582 32.323 31.700 0.068 0.000 1.011 59 L N 0.110 121.480 121.223 0.244 0.000 2.334 59 L HA 0.548 4.892 4.340 0.006 0.000 0.273 59 L C -0.240 176.729 176.870 0.165 0.000 1.013 59 L CA -1.188 53.829 54.840 0.295 0.000 0.816 59 L CB 2.087 44.299 42.059 0.255 0.000 1.278 59 L HN 0.064 nan 8.230 nan 0.000 0.431 60 V N 4.054 124.045 119.914 0.128 0.000 2.482 60 V HA 0.440 4.563 4.120 0.006 0.000 0.295 60 V C -0.501 175.591 176.094 -0.003 0.000 1.026 60 V CA -0.368 61.908 62.300 -0.039 0.000 0.856 60 V CB 2.047 33.740 31.823 -0.218 0.000 1.001 60 V HN 0.403 nan 8.190 nan 0.000 0.424 61 I N 4.403 124.966 120.570 -0.012 0.000 2.410 61 I HA 0.648 4.822 4.170 0.006 0.000 0.286 61 I C 0.962 177.068 176.117 -0.018 0.000 1.009 61 I CA 0.326 61.572 61.300 -0.090 0.000 1.111 61 I CB 0.738 38.597 38.000 -0.234 0.000 1.262 61 I HN 0.813 nan 8.210 nan 0.000 0.443 62 G N 7.204 116.005 108.800 0.002 0.000 2.591 62 G HA2 -0.299 3.665 3.960 0.006 0.000 0.298 62 G HA3 -0.299 3.665 3.960 0.006 0.000 0.298 62 G C 0.367 175.304 174.900 0.061 0.000 1.195 62 G CA 0.513 45.641 45.100 0.047 0.000 0.989 62 G HN 0.509 nan 8.290 nan 0.000 0.551 63 D N 1.055 121.486 120.400 0.052 0.000 2.339 63 D HA 0.264 4.907 4.640 0.006 0.000 0.217 63 D C 1.076 177.265 176.300 -0.185 0.000 1.050 63 D CA 0.387 54.400 54.000 0.021 0.000 0.856 63 D CB 0.110 40.973 40.800 0.105 0.000 0.922 63 D HN 0.225 nan 8.370 nan 0.000 0.518 64 M N 0.496 119.985 119.600 -0.185 0.000 2.363 64 M HA 0.396 4.880 4.480 0.006 0.000 0.343 64 M C -0.247 175.747 176.300 -0.511 0.000 1.165 64 M CA -0.308 54.766 55.300 -0.376 0.000 1.046 64 M CB 2.156 34.572 32.600 -0.306 0.000 1.648 64 M HN -0.115 nan 8.290 nan 0.000 0.452 65 M N 2.636 121.809 119.600 -0.712 0.000 2.393 65 M HA 0.495 4.978 4.480 0.006 0.000 0.316 65 M C -2.090 173.736 176.300 -0.790 0.000 1.087 65 M CA -0.481 54.465 55.300 -0.591 0.000 0.937 65 M CB 2.063 34.385 32.600 -0.464 0.000 1.668 65 M HN 0.591 nan 8.290 nan 0.000 0.438 66 Y N 3.395 123.596 120.300 -0.166 0.000 2.331 66 Y HA 0.582 5.135 4.550 0.006 0.000 0.334 66 Y C -0.580 175.305 175.900 -0.025 0.000 0.960 66 Y CA -0.802 57.216 58.100 -0.137 0.000 1.130 66 Y CB 1.711 40.130 38.460 -0.068 0.000 1.164 66 Y HN 0.339 nan 8.280 nan 0.000 0.458 67 V N 4.221 124.191 119.914 0.093 0.000 2.513 67 V HA 0.409 4.532 4.120 0.006 0.000 0.299 67 V C -0.331 175.979 176.094 0.360 0.000 1.035 67 V CA -0.804 61.620 62.300 0.206 0.000 0.889 67 V CB 1.349 33.223 31.823 0.085 0.000 0.988 67 V HN 0.824 nan 8.190 nan 0.000 0.440 68 H N 1.789 121.004 119.070 0.242 0.000 2.679 68 H HA 0.795 5.354 4.556 0.006 0.000 0.367 68 H C -0.452 175.015 175.328 0.231 0.000 1.162 68 H CA -0.520 55.652 56.048 0.207 0.000 1.181 68 H CB 1.993 31.844 29.762 0.148 0.000 1.693 68 H HN 0.645 nan 8.280 nan 0.000 0.538 69 S N 1.738 117.477 115.700 0.065 0.000 2.786 69 S HA 0.815 5.289 4.470 0.006 0.000 0.307 69 S C 0.280 174.747 174.600 -0.221 0.000 1.121 69 S CA -0.382 57.760 58.200 -0.097 0.000 0.975 69 S CB 1.397 64.697 63.200 0.167 0.000 1.220 69 S HN 1.055 nan 8.310 nan 0.000 0.550 70 A N 0.272 122.819 122.820 -0.455 0.000 2.251 70 A HA 0.572 4.896 4.320 0.006 0.000 0.278 70 A C 0.006 177.613 177.584 0.039 0.000 1.206 70 A CA -0.671 51.258 52.037 -0.180 0.000 0.822 70 A CB -0.558 18.323 19.000 -0.200 0.000 1.187 70 A HN 0.959 nan 8.150 nan 0.000 0.504 71 F N 0.865 120.814 119.950 -0.001 0.000 2.642 71 F HA 0.185 4.715 4.527 0.006 0.000 0.371 71 F C -1.120 174.696 175.800 0.027 0.000 1.120 71 F CA -0.867 57.149 58.000 0.026 0.000 1.331 71 F CB 0.680 39.706 39.000 0.043 0.000 1.044 71 F HN 0.310 nan 8.300 nan 0.000 0.594 72 P HA -0.011 nan 4.420 nan 0.000 0.269 72 P C -1.115 175.908 177.300 -0.461 0.000 1.461 72 P CA 0.324 62.749 63.100 -1.126 0.000 0.809 72 P CB -0.622 30.544 31.700 -0.889 0.000 1.503 73 N N -0.721 117.866 118.700 -0.188 0.000 2.681 73 N HA -0.142 4.602 4.740 0.006 0.000 0.259 73 N C -0.562 174.921 175.510 -0.045 0.000 1.066 73 N CA 0.410 53.436 53.050 -0.040 0.000 0.717 73 N CB -1.931 36.559 38.487 0.004 0.000 0.885 73 N HN 0.299 nan 8.380 nan 0.000 0.547 74 N N 0.440 119.095 118.700 -0.075 0.000 2.530 74 N HA 0.346 5.090 4.740 0.006 0.000 0.277 74 N C -0.080 175.274 175.510 -0.261 0.000 1.168 74 N CA 0.212 53.134 53.050 -0.214 0.000 0.979 74 N CB 0.867 39.175 38.487 -0.297 0.000 1.141 74 N HN 0.167 nan 8.380 nan 0.000 0.459 75 T N 1.816 116.167 114.554 -0.339 0.000 2.807 75 T HA 0.488 4.841 4.350 0.006 0.000 0.279 75 T C -0.877 173.527 174.700 -0.492 0.000 0.993 75 T CA -0.385 61.592 62.100 -0.204 0.000 0.970 75 T CB 0.355 69.282 68.868 0.100 0.000 0.950 75 T HN 0.230 nan 8.240 nan 0.000 0.441 76 Y N 0.748 121.011 120.300 -0.062 0.000 2.425 76 Y HA 0.658 5.211 4.550 0.006 0.000 0.344 76 Y C 0.071 175.657 175.900 -0.522 0.000 0.969 76 Y CA -1.275 56.691 58.100 -0.224 0.000 1.052 76 Y CB 1.721 40.139 38.460 -0.070 0.000 1.215 76 Y HN 0.771 nan 8.280 nan 0.000 0.451 77 A N 3.859 126.276 122.820 -0.673 0.000 2.303 77 A HA 0.836 5.160 4.320 0.006 0.000 0.320 77 A C -1.635 175.545 177.584 -0.674 0.000 1.192 77 A CA -0.549 50.913 52.037 -0.958 0.000 0.821 77 A CB 0.431 18.407 19.000 -1.707 0.000 1.188 77 A HN 0.586 nan 8.150 nan 0.000 0.492 78 L N 2.341 123.159 121.223 -0.674 0.000 2.386 78 L HA 0.451 4.795 4.340 0.006 0.000 0.271 78 L C 0.075 176.633 176.870 -0.520 0.000 0.993 78 L CA -0.509 54.004 54.840 -0.545 0.000 0.819 78 L CB 1.815 43.522 42.059 -0.588 0.000 1.294 78 L HN 0.771 nan 8.230 nan 0.000 0.414 79 N N 2.812 121.265 118.700 -0.411 0.000 2.419 79 N HA 0.211 4.955 4.740 0.006 0.000 0.264 79 N C 0.834 176.067 175.510 -0.463 0.000 1.031 79 N CA -0.247 52.587 53.050 -0.360 0.000 0.951 79 N CB 1.220 39.575 38.487 -0.220 0.000 1.101 79 N HN 0.649 nan 8.380 nan 0.000 0.488 80 L N 2.770 123.629 121.223 -0.607 0.000 2.447 80 L HA -0.146 4.198 4.340 0.006 0.000 0.225 80 L C 1.727 178.116 176.870 -0.802 0.000 1.148 80 L CA 0.583 54.868 54.840 -0.925 0.000 0.808 80 L CB -0.308 40.850 42.059 -1.502 0.000 0.928 80 L HN 0.556 nan 8.230 nan 0.000 0.448 81 N N -0.357 118.122 118.700 -0.367 0.000 2.396 81 N HA -0.103 4.640 4.740 0.006 0.000 0.180 81 N C 0.235 175.659 175.510 -0.143 0.000 1.028 81 N CA 0.942 53.970 53.050 -0.037 0.000 0.893 81 N CB 0.145 38.669 38.487 0.062 0.000 0.967 81 N HN 0.245 nan 8.380 nan 0.000 0.440 82 D N -1.139 119.096 120.400 -0.274 0.000 2.445 82 D HA 0.204 4.848 4.640 0.006 0.000 0.236 82 D C -2.346 173.706 176.300 -0.414 0.000 1.315 82 D CA -1.402 52.428 54.000 -0.283 0.000 0.924 82 D CB 1.082 41.776 40.800 -0.177 0.000 1.447 82 D HN -0.142 nan 8.370 nan 0.000 0.532 83 P HA 0.095 nan 4.420 nan 0.000 0.231 83 P C 1.278 178.266 177.300 -0.520 0.000 1.158 83 P CA 0.559 63.135 63.100 -0.874 0.000 0.763 83 P CB 0.372 30.987 31.700 -1.809 0.000 0.805 84 G N -1.369 107.227 108.800 -0.340 0.000 2.920 84 G HA2 -0.062 3.901 3.960 0.006 0.000 0.208 84 G HA3 -0.062 3.901 3.960 0.006 0.000 0.208 84 G C 0.666 175.495 174.900 -0.119 0.000 1.159 84 G CA 0.199 45.195 45.100 -0.174 0.000 0.784 84 G HN 0.096 nan 8.290 nan 0.000 0.535 85 K N 0.857 121.160 120.400 -0.162 0.000 2.376 85 K HA 0.445 4.768 4.320 0.006 0.000 0.257 85 K C -0.910 175.613 176.600 -0.129 0.000 0.939 85 K CA -0.787 55.434 56.287 -0.110 0.000 0.809 85 K CB 1.503 33.941 32.500 -0.103 0.000 1.121 85 K HN -0.012 nan 8.250 nan 0.000 0.425 86 I N 5.205 125.740 120.570 -0.058 0.000 2.291 86 I HA 0.038 4.212 4.170 0.006 0.000 0.292 86 I C 1.699 177.792 176.117 -0.041 0.000 1.064 86 I CA -0.407 60.857 61.300 -0.059 0.000 1.269 86 I CB 1.238 39.280 38.000 0.071 0.000 1.418 86 I HN 0.309 nan 8.210 nan 0.000 0.485 87 V N 6.949 126.797 119.914 -0.109 0.000 2.295 87 V HA -0.120 4.004 4.120 0.006 0.000 0.246 87 V C 0.517 176.711 176.094 0.167 0.000 1.049 87 V CA 1.476 63.771 62.300 -0.008 0.000 1.024 87 V CB -0.469 31.325 31.823 -0.048 0.000 0.648 87 V HN 0.840 nan 8.190 nan 0.000 0.447 88 W N 0.153 121.468 121.300 0.025 0.000 3.146 88 W HA 0.655 5.318 4.660 0.006 0.000 0.319 88 W C -1.659 174.905 176.519 0.075 0.000 1.258 88 W CA -1.019 56.355 57.345 0.049 0.000 1.189 88 W CB 1.211 30.698 29.460 0.045 0.000 1.412 88 W HN 0.239 nan 8.180 nan 0.000 0.567 89 Q N 1.455 121.562 119.800 0.512 0.000 2.377 89 Q HA 0.396 4.740 4.340 0.006 0.000 0.279 89 Q C -1.821 174.397 176.000 0.363 0.000 1.049 89 Q CA -0.890 55.094 55.803 0.302 0.000 0.825 89 Q CB 3.352 32.184 28.738 0.157 0.000 1.401 89 Q HN 0.590 nan 8.270 nan 0.000 0.404 90 H N 1.893 121.050 119.070 0.145 0.000 2.646 90 H HA 0.381 4.941 4.556 0.006 0.000 0.328 90 H C -1.391 173.899 175.328 -0.064 0.000 0.998 90 H CA -0.686 55.407 56.048 0.076 0.000 1.225 90 H CB 1.313 31.153 29.762 0.131 0.000 1.457 90 H HN 0.599 nan 8.280 nan 0.000 0.505 91 K N 6.931 127.062 120.400 -0.448 0.000 2.473 91 K HA 0.292 4.615 4.320 0.006 0.000 0.246 91 K C -2.611 173.715 176.600 -0.457 0.000 1.011 91 K CA -1.796 54.273 56.287 -0.363 0.000 0.984 91 K CB 1.729 34.117 32.500 -0.187 0.000 1.250 91 K HN 0.451 nan 8.250 nan 0.000 0.454 92 P HA 0.016 nan 4.420 nan 0.000 0.269 92 P C -0.954 176.202 177.300 -0.240 0.000 1.215 92 P CA -0.189 62.716 63.100 -0.324 0.000 0.780 92 P CB 0.598 32.180 31.700 -0.197 0.000 0.898 93 K N 2.682 122.979 120.400 -0.172 0.000 2.367 93 K HA 0.335 4.658 4.320 0.006 0.000 0.263 93 K C -0.237 176.297 176.600 -0.109 0.000 1.000 93 K CA -0.439 55.773 56.287 -0.125 0.000 0.891 93 K CB 1.172 33.624 32.500 -0.080 0.000 1.117 93 K HN 0.449 nan 8.250 nan 0.000 0.443 94 Q N 1.304 121.045 119.800 -0.098 0.000 2.397 94 Q HA 0.172 4.516 4.340 0.006 0.000 0.275 94 Q C -1.196 174.866 176.000 0.104 0.000 1.090 94 Q CA -1.155 54.639 55.803 -0.015 0.000 0.809 94 Q CB 2.220 30.958 28.738 0.000 0.000 1.362 94 Q HN 0.433 nan 8.270 nan 0.000 0.431 95 D N 0.641 121.102 120.400 0.102 0.000 2.425 95 D HA 0.097 4.740 4.640 0.006 0.000 0.247 95 D C 0.466 176.867 176.300 0.169 0.000 1.147 95 D CA 0.255 54.316 54.000 0.102 0.000 0.879 95 D CB 1.540 42.373 40.800 0.054 0.000 1.179 95 D HN 0.688 nan 8.370 nan 0.000 0.456 96 A N 2.997 125.901 122.820 0.140 0.000 2.070 96 A HA -0.150 4.173 4.320 0.006 0.000 0.220 96 A C 2.038 179.613 177.584 -0.015 0.000 1.159 96 A CA 1.671 53.774 52.037 0.109 0.000 0.656 96 A CB -0.572 18.484 19.000 0.093 0.000 0.800 96 A HN 0.624 nan 8.150 nan 0.000 0.453 97 S N -0.984 114.714 115.700 -0.003 0.000 2.507 97 S HA -0.105 4.369 4.470 0.006 0.000 0.235 97 S C 1.559 176.118 174.600 -0.068 0.000 0.988 97 S CA 1.521 59.701 58.200 -0.034 0.000 0.944 97 S CB -0.958 62.233 63.200 -0.015 0.000 0.762 97 S HN 0.484 nan 8.310 nan 0.000 0.526 98 T N 2.533 117.040 114.554 -0.078 0.000 2.833 98 T HA -0.030 4.324 4.350 0.006 0.000 0.269 98 T C 1.637 176.207 174.700 -0.216 0.000 1.054 98 T CA 1.374 63.412 62.100 -0.104 0.000 1.135 98 T CB -0.231 68.628 68.868 -0.014 0.000 0.869 98 T HN 0.572 nan 8.240 nan 0.000 0.466 99 K N 1.319 121.506 120.400 -0.355 0.000 2.148 99 K HA 0.097 4.420 4.320 0.006 0.000 0.204 99 K C 2.589 179.090 176.600 -0.164 0.000 1.050 99 K CA 0.990 57.077 56.287 -0.333 0.000 0.942 99 K CB -0.213 32.066 32.500 -0.368 0.000 0.724 99 K HN 0.284 nan 8.250 nan 0.000 0.446 100 A N 1.330 124.079 122.820 -0.118 0.000 2.070 100 A HA -0.091 4.232 4.320 0.006 0.000 0.220 100 A C 1.995 179.592 177.584 0.022 0.000 1.159 100 A CA 1.439 53.445 52.037 -0.052 0.000 0.656 100 A CB -0.380 18.596 19.000 -0.038 0.000 0.800 100 A HN 0.198 nan 8.150 nan 0.000 0.453 101 V N -3.973 115.908 119.914 -0.055 0.000 3.271 101 V HA 0.409 4.533 4.120 0.006 0.000 0.327 101 V C 0.364 176.385 176.094 -0.121 0.000 1.389 101 V CA -0.175 62.042 62.300 -0.138 0.000 1.156 101 V CB -0.870 30.848 31.823 -0.175 0.000 1.103 101 V HN 0.388 nan 8.190 nan 0.000 0.453 102 M N 1.250 120.832 119.600 -0.029 0.000 2.088 102 M HA 0.279 4.762 4.480 0.006 0.000 0.346 102 M C 1.426 177.762 176.300 0.060 0.000 1.111 102 M CA -0.412 54.874 55.300 -0.022 0.000 1.017 102 M CB 1.514 34.092 32.600 -0.037 0.000 1.568 102 M HN 0.554 nan 8.290 nan 0.000 0.445 103 C N 1.075 120.406 119.300 0.052 0.000 2.429 103 C HA -0.034 4.430 4.460 0.006 0.000 0.277 103 C C 1.023 175.955 174.990 -0.096 0.000 1.262 103 C CA 0.202 59.264 59.018 0.074 0.000 1.733 103 C CB -0.737 26.993 27.740 -0.017 0.000 2.010 103 C HN 0.863 nan 8.230 nan 0.000 0.483 104 C N 2.168 121.410 119.300 -0.097 0.000 3.276 104 C HA 0.596 5.059 4.460 0.006 0.000 0.226 104 C C -0.538 174.516 174.990 0.105 0.000 1.502 104 C CA -0.478 58.501 59.018 -0.065 0.000 1.488 104 C CB -2.217 25.413 27.740 -0.183 0.000 2.014 104 C HN 0.823 nan 8.230 nan 0.000 0.492 105 D N 0.343 120.865 120.400 0.203 0.000 10.746 105 D HA -0.174 4.469 4.640 0.006 0.000 0.347 105 D C 0.105 176.514 176.300 0.183 0.000 3.135 105 D CA 0.986 55.157 54.000 0.286 0.000 2.657 105 D CB 0.194 41.114 40.800 0.200 0.000 1.219 105 D HN 0.771 nan 8.370 nan 0.000 0.943 106 V N 0.372 120.394 119.914 0.180 0.000 2.443 106 V HA 0.479 4.603 4.120 0.006 0.000 0.326 106 V C 0.989 177.179 176.094 0.160 0.000 1.580 106 V CA 0.058 62.437 62.300 0.133 0.000 1.629 106 V CB -0.491 31.387 31.823 0.092 0.000 1.471 106 V HN 0.645 nan 8.190 nan 0.000 0.532 107 V N -0.735 119.270 119.914 0.152 0.000 3.083 107 V HA 0.722 4.845 4.120 0.006 0.000 0.306 107 V C -0.206 175.997 176.094 0.182 0.000 1.077 107 V CA -0.304 62.094 62.300 0.164 0.000 1.073 107 V CB 1.767 33.714 31.823 0.207 0.000 1.081 107 V HN 0.620 nan 8.190 nan 0.000 0.474 108 D N 0.954 121.483 120.400 0.215 0.000 2.736 108 D HA 0.351 4.995 4.640 0.006 0.000 0.243 108 D C 0.463 176.972 176.300 0.348 0.000 1.304 108 D CA -0.583 53.569 54.000 0.253 0.000 0.934 108 D CB 1.936 42.910 40.800 0.290 0.000 1.382 108 D HN 0.612 nan 8.370 nan 0.000 0.571 109 R N 1.866 122.510 120.500 0.240 0.000 2.319 109 R HA 0.399 4.742 4.340 0.006 0.000 0.204 109 R C 0.982 177.402 176.300 0.200 0.000 0.954 109 R CA 0.343 56.614 56.100 0.285 0.000 1.066 109 R CB 0.210 30.560 30.300 0.084 0.000 0.991 109 R HN 0.568 nan 8.270 nan 0.000 0.486 110 G N 0.245 108.936 108.800 -0.181 0.000 2.381 110 G HA2 -0.077 3.887 3.960 0.006 0.000 0.672 110 G HA3 -0.077 3.887 3.960 0.006 0.000 0.672 110 G C -0.997 173.760 174.900 -0.239 0.000 1.324 110 G CA -1.114 43.667 45.100 -0.531 0.000 0.975 110 G HN 0.013 nan 8.290 nan 0.000 0.593 111 L N 0.117 121.239 121.223 -0.170 0.000 2.400 111 L HA 0.877 5.221 4.340 0.006 0.000 0.264 111 L C 0.966 177.857 176.870 0.035 0.000 1.061 111 L CA -0.414 54.404 54.840 -0.037 0.000 0.799 111 L CB 1.513 43.571 42.059 -0.001 0.000 1.240 111 L HN 1.287 nan 8.230 nan 0.000 0.461 112 A N 0.090 122.915 122.820 0.009 0.000 2.485 112 A HA 0.740 5.063 4.320 0.006 0.000 0.292 112 A C -1.988 175.605 177.584 0.016 0.000 1.147 112 A CA -0.378 51.668 52.037 0.015 0.000 0.750 112 A CB 1.642 20.630 19.000 -0.020 0.000 1.331 112 A HN 0.586 nan 8.150 nan 0.000 0.419 113 Y N -0.385 119.835 120.300 -0.133 0.000 2.492 113 Y HA 0.628 5.182 4.550 0.006 0.000 0.346 113 Y C -0.105 175.718 175.900 -0.128 0.000 0.997 113 Y CA 0.119 58.130 58.100 -0.147 0.000 1.025 113 Y CB 2.165 40.543 38.460 -0.137 0.000 1.263 113 Y HN 1.343 nan 8.280 nan 0.000 0.454 114 G N 2.434 110.748 108.800 -0.809 0.000 2.691 114 G HA2 0.559 4.522 3.960 0.006 0.000 0.298 114 G HA3 0.559 4.522 3.960 0.006 0.000 0.298 114 G C -0.504 174.063 174.900 -0.555 0.000 1.471 114 G CA -0.296 44.484 45.100 -0.533 0.000 0.912 114 G HN 1.600 nan 8.290 nan 0.000 0.553 115 A N -0.192 122.416 122.820 -0.352 0.000 2.745 115 A HA 0.338 4.661 4.320 0.006 0.000 0.296 115 A C 2.282 179.699 177.584 -0.279 0.000 1.500 115 A CA 2.093 53.995 52.037 -0.224 0.000 0.766 115 A CB -1.341 17.577 19.000 -0.136 0.000 1.030 115 A HN 3.125 nan 8.150 nan 0.000 0.489 116 G N -2.127 106.436 108.800 -0.397 0.000 2.203 116 G HA2 -0.221 3.743 3.960 0.006 0.000 0.263 116 G HA3 -0.221 3.743 3.960 0.006 0.000 0.263 116 G C -0.091 174.630 174.900 -0.297 0.000 1.012 116 G CA 1.193 46.158 45.100 -0.225 0.000 0.749 116 G HN 1.535 nan 8.290 nan 0.000 0.512 117 Q N -0.925 118.539 119.800 -0.560 0.000 2.394 117 Q HA 0.668 5.012 4.340 0.006 0.000 0.273 117 Q C -0.300 175.445 176.000 -0.425 0.000 1.089 117 Q CA -1.167 54.389 55.803 -0.411 0.000 0.812 117 Q CB 2.046 30.559 28.738 -0.376 0.000 1.353 117 Q HN 0.142 nan 8.270 nan 0.000 0.438 118 I N 2.418 122.819 120.570 -0.280 0.000 2.304 118 I HA 0.196 4.370 4.170 0.006 0.000 0.291 118 I C -0.410 175.551 176.117 -0.260 0.000 1.018 118 I CA -0.430 60.740 61.300 -0.217 0.000 1.260 118 I CB 1.242 39.156 38.000 -0.143 0.000 1.390 118 I HN 0.392 nan 8.210 nan 0.000 0.475 119 V N 8.145 127.921 119.914 -0.229 0.000 2.385 119 V HA 0.347 4.471 4.120 0.006 0.000 0.269 119 V C 0.362 176.350 176.094 -0.177 0.000 1.043 119 V CA -0.447 61.699 62.300 -0.257 0.000 0.906 119 V CB 1.232 32.943 31.823 -0.187 0.000 0.995 119 V HN 0.629 nan 8.190 nan 0.000 0.467 120 K N 5.015 125.289 120.400 -0.211 0.000 2.464 120 K HA 0.627 4.951 4.320 0.006 0.000 0.253 120 K C -1.109 175.429 176.600 -0.103 0.000 0.933 120 K CA -0.795 55.419 56.287 -0.121 0.000 0.801 120 K CB 2.680 35.123 32.500 -0.095 0.000 1.271 120 K HN 0.691 nan 8.250 nan 0.000 0.430 121 K N 1.341 121.723 120.400 -0.031 0.000 2.313 121 K HA 0.431 4.755 4.320 0.006 0.000 0.235 121 K C -0.787 175.840 176.600 0.045 0.000 1.035 121 K CA -0.644 55.646 56.287 0.005 0.000 0.868 121 K CB 1.257 33.771 32.500 0.023 0.000 1.232 121 K HN 0.507 nan 8.250 nan 0.000 0.459 122 Q N -0.454 119.386 119.800 0.066 0.000 2.413 122 Q HA 0.554 4.897 4.340 0.006 0.000 0.276 122 Q C 0.284 176.347 176.000 0.104 0.000 1.099 122 Q CA -0.861 54.982 55.803 0.067 0.000 0.814 122 Q CB 2.094 30.843 28.738 0.020 0.000 1.379 122 Q HN 0.770 nan 8.270 nan 0.000 0.436 123 A N 1.876 124.794 122.820 0.164 0.000 1.978 123 A HA -0.218 4.106 4.320 0.006 0.000 0.220 123 A C 1.428 179.099 177.584 0.145 0.000 1.170 123 A CA 2.080 54.236 52.037 0.199 0.000 0.636 123 A CB -0.640 18.577 19.000 0.362 0.000 0.810 123 A HN 0.851 nan 8.150 nan 0.000 0.448 124 N N -0.594 118.183 118.700 0.128 0.000 2.575 124 N HA 0.184 4.927 4.740 0.006 0.000 0.192 124 N C 0.957 176.523 175.510 0.095 0.000 1.200 124 N CA 1.353 54.445 53.050 0.071 0.000 0.897 124 N CB -0.527 37.958 38.487 -0.005 0.000 0.990 124 N HN 0.882 nan 8.380 nan 0.000 0.449 125 G N -1.145 107.732 108.800 0.128 0.000 2.176 125 G HA2 -0.227 3.737 3.960 0.006 0.000 0.232 125 G HA3 -0.227 3.737 3.960 0.006 0.000 0.232 125 G C -0.378 174.668 174.900 0.243 0.000 0.986 125 G CA -0.092 45.112 45.100 0.173 0.000 0.643 125 G HN 0.643 nan 8.290 nan 0.000 0.522 126 H N -0.709 118.371 119.070 0.017 0.000 2.511 126 H HA 0.561 5.121 4.556 0.006 0.000 0.346 126 H C -0.521 174.780 175.328 -0.045 0.000 1.128 126 H CA -0.444 55.597 56.048 -0.012 0.000 1.342 126 H CB 2.122 31.885 29.762 0.002 0.000 1.470 126 H HN 0.207 nan 8.280 nan 0.000 0.546 127 L N 3.807 125.032 121.223 0.003 0.000 2.356 127 L HA 0.365 4.708 4.340 0.006 0.000 0.277 127 L C -1.762 175.038 176.870 -0.117 0.000 0.996 127 L CA -0.512 54.279 54.840 -0.081 0.000 0.822 127 L CB 1.143 43.087 42.059 -0.192 0.000 1.256 127 L HN 0.389 nan 8.230 nan 0.000 0.413 128 L N 4.371 125.420 121.223 -0.289 0.000 2.333 128 L HA 0.959 5.303 4.340 0.006 0.000 0.263 128 L C -0.448 175.873 176.870 -0.915 0.000 1.014 128 L CA -0.545 53.967 54.840 -0.546 0.000 0.820 128 L CB 1.997 43.823 42.059 -0.388 0.000 1.352 128 L HN 0.699 nan 8.230 nan 0.000 0.421 129 A N 2.357 124.410 122.820 -1.278 0.000 2.319 129 A HA 0.883 5.207 4.320 0.006 0.000 0.310 129 A C -1.147 175.986 177.584 -0.752 0.000 1.152 129 A CA -0.363 50.972 52.037 -1.170 0.000 0.783 129 A CB 0.551 18.457 19.000 -1.823 0.000 1.184 129 A HN 0.600 nan 8.150 nan 0.000 0.474 130 L N 1.533 122.432 121.223 -0.539 0.000 2.346 130 L HA 0.393 4.737 4.340 0.006 0.000 0.276 130 L C -0.272 176.361 176.870 -0.396 0.000 1.006 130 L CA -0.990 53.567 54.840 -0.472 0.000 0.817 130 L CB 1.980 43.753 42.059 -0.478 0.000 1.272 130 L HN 0.817 nan 8.230 nan 0.000 0.421 131 D N 1.537 121.704 120.400 -0.387 0.000 2.472 131 D HA 0.122 4.766 4.640 0.006 0.000 0.248 131 D C 1.054 177.216 176.300 -0.230 0.000 1.174 131 D CA 0.461 54.292 54.000 -0.281 0.000 0.883 131 D CB 1.534 42.179 40.800 -0.258 0.000 1.149 131 D HN 0.640 nan 8.370 nan 0.000 0.488 132 A N 4.999 127.794 122.820 -0.042 0.000 1.978 132 A HA -0.196 4.127 4.320 0.006 0.000 0.220 132 A C 1.928 179.794 177.584 0.469 0.000 1.170 132 A CA 1.142 53.308 52.037 0.216 0.000 0.636 132 A CB -0.212 18.939 19.000 0.252 0.000 0.810 132 A HN 0.541 nan 8.150 nan 0.000 0.448 133 K N -0.891 119.641 120.400 0.221 0.000 2.166 133 K HA -0.018 4.306 4.320 0.006 0.000 0.201 133 K C 1.931 178.609 176.600 0.130 0.000 1.052 133 K CA 1.755 58.190 56.287 0.246 0.000 0.969 133 K CB -0.526 32.047 32.500 0.122 0.000 0.761 133 K HN 0.695 nan 8.250 nan 0.000 0.459 134 T N -4.020 110.397 114.554 -0.229 0.000 2.969 134 T HA 0.250 4.604 4.350 0.006 0.000 0.250 134 T C 1.390 175.450 174.700 -1.067 0.000 1.021 134 T CA 0.731 62.576 62.100 -0.424 0.000 1.003 134 T CB 0.621 69.344 68.868 -0.241 0.000 1.040 134 T HN 0.256 nan 8.240 nan 0.000 0.492 135 G N 1.870 109.709 108.800 -1.601 0.000 2.176 135 G HA2 -0.277 3.686 3.960 0.006 0.000 0.253 135 G HA3 -0.277 3.686 3.960 0.006 0.000 0.253 135 G C -0.006 174.386 174.900 -0.847 0.000 0.979 135 G CA 0.264 44.166 45.100 -1.996 0.000 0.641 135 G HN 0.872 nan 8.290 nan 0.000 0.530 136 K N 0.787 120.847 120.400 -0.567 0.000 2.448 136 K HA 0.392 4.716 4.320 0.006 0.000 0.278 136 K C 0.674 177.071 176.600 -0.338 0.000 1.009 136 K CA -0.469 55.613 56.287 -0.341 0.000 0.995 136 K CB 0.086 32.440 32.500 -0.243 0.000 0.917 136 K HN 0.270 nan 8.250 nan 0.000 0.481 137 I N 5.213 125.626 120.570 -0.262 0.000 2.452 137 I HA -0.061 4.113 4.170 0.006 0.000 0.287 137 I C 0.949 176.937 176.117 -0.215 0.000 1.079 137 I CA -0.438 60.699 61.300 -0.272 0.000 1.387 137 I CB 0.834 38.717 38.000 -0.196 0.000 1.404 137 I HN 0.721 nan 8.210 nan 0.000 0.522 138 N N 6.841 125.375 118.700 -0.278 0.000 2.278 138 N HA 0.075 4.819 4.740 0.006 0.000 0.181 138 N C -0.357 175.152 175.510 -0.002 0.000 1.023 138 N CA 0.854 53.809 53.050 -0.160 0.000 0.862 138 N CB 0.327 38.696 38.487 -0.197 0.000 1.003 138 N HN 0.684 nan 8.380 nan 0.000 0.431 139 W N -0.050 121.165 121.300 -0.141 0.000 3.137 139 W HA 0.608 5.271 4.660 0.006 0.000 0.324 139 W C -1.383 175.044 176.519 -0.153 0.000 1.253 139 W CA -0.622 56.642 57.345 -0.134 0.000 1.183 139 W CB 0.929 30.311 29.460 -0.131 0.000 1.424 139 W HN -0.204 nan 8.180 nan 0.000 0.566 140 E N 1.737 122.103 120.200 0.278 0.000 2.291 140 E HA 0.501 4.855 4.350 0.006 0.000 0.276 140 E C -1.731 174.910 176.600 0.070 0.000 0.896 140 E CA -0.600 55.876 56.400 0.127 0.000 0.774 140 E CB 2.627 32.334 29.700 0.013 0.000 1.227 140 E HN 0.583 nan 8.360 nan 0.000 0.413 141 V N 0.241 120.159 119.914 0.006 0.000 3.102 141 V HA 0.634 4.758 4.120 0.006 0.000 0.312 141 V C -0.593 175.353 176.094 -0.247 0.000 1.135 141 V CA -0.981 61.234 62.300 -0.142 0.000 1.022 141 V CB 1.852 33.561 31.823 -0.189 0.000 1.056 141 V HN 0.717 nan 8.190 nan 0.000 0.436 142 E N 0.558 120.626 120.200 -0.221 0.000 2.249 142 E HA 0.567 4.921 4.350 0.006 0.000 0.280 142 E C -0.227 176.355 176.600 -0.030 0.000 1.016 142 E CA -0.527 55.773 56.400 -0.165 0.000 0.830 142 E CB 2.217 31.845 29.700 -0.121 0.000 1.081 142 E HN 0.570 nan 8.360 nan 0.000 0.395 143 V N 1.003 120.933 119.914 0.027 0.000 3.219 143 V HA 0.079 4.203 4.120 0.006 0.000 0.240 143 V C 0.198 176.363 176.094 0.117 0.000 1.222 143 V CA 0.276 62.645 62.300 0.116 0.000 1.181 143 V CB 0.713 32.590 31.823 0.089 0.000 0.941 143 V HN 0.719 nan 8.190 nan 0.000 0.471 144 c N 0.259 118.922 118.600 0.104 0.000 2.779 144 c HA 0.725 5.299 4.570 0.006 0.000 0.314 144 c C -0.880 173.266 174.090 0.094 0.000 1.231 144 c CA -0.740 55.648 56.329 0.097 0.000 1.652 144 c CB 1.736 44.301 42.510 0.093 0.000 2.198 144 c HN 0.466 nan 8.230 nan 0.000 0.483 145 D N 0.757 121.203 120.400 0.076 0.000 2.453 145 D HA 0.400 5.043 4.640 0.006 0.000 0.238 145 D C -1.908 174.416 176.300 0.039 0.000 1.088 145 D CA -1.940 52.098 54.000 0.063 0.000 0.854 145 D CB 1.604 42.436 40.800 0.054 0.000 1.076 145 D HN 0.107 nan 8.370 nan 0.000 0.533 146 P HA -0.099 nan 4.420 nan 0.000 0.219 146 P C 0.858 178.147 177.300 -0.019 0.000 1.146 146 P CA 1.036 64.138 63.100 0.002 0.000 0.808 146 P CB 0.315 32.020 31.700 0.008 0.000 0.779 147 K N -0.447 119.949 120.400 -0.006 0.000 2.280 147 K HA -0.058 4.265 4.320 0.006 0.000 0.202 147 K C 1.380 177.959 176.600 -0.036 0.000 1.047 147 K CA 1.408 57.682 56.287 -0.021 0.000 0.942 147 K CB -0.340 32.155 32.500 -0.008 0.000 0.739 147 K HN 0.193 nan 8.250 nan 0.000 0.457 148 V N -3.885 116.016 119.914 -0.021 0.000 3.376 148 V HA 0.428 4.552 4.120 0.006 0.000 0.313 148 V C 0.763 176.840 176.094 -0.030 0.000 1.393 148 V CA 0.161 62.450 62.300 -0.018 0.000 1.125 148 V CB 0.040 31.876 31.823 0.021 0.000 1.037 148 V HN 0.325 nan 8.190 nan 0.000 0.440 149 G N 0.153 108.915 108.800 -0.063 0.000 2.141 149 G HA2 -0.249 3.715 3.960 0.006 0.000 0.242 149 G HA3 -0.249 3.715 3.960 0.006 0.000 0.242 149 G C 0.223 175.083 174.900 -0.067 0.000 0.982 149 G CA 0.338 45.372 45.100 -0.109 0.000 0.662 149 G HN 1.012 nan 8.290 nan 0.000 0.527 150 S N 0.703 116.395 115.700 -0.013 0.000 2.457 150 S HA 0.781 5.255 4.470 0.006 0.000 0.289 150 S C 0.499 175.114 174.600 0.026 0.000 1.163 150 S CA 0.883 59.096 58.200 0.021 0.000 1.078 150 S CB 1.013 64.246 63.200 0.056 0.000 0.987 150 S HN 1.309 nan 8.310 nan 0.000 0.482 151 T N 2.422 116.993 114.554 0.028 0.000 2.831 151 T HA 0.688 5.042 4.350 0.006 0.000 0.287 151 T C -0.911 173.830 174.700 0.069 0.000 1.070 151 T CA -0.930 61.196 62.100 0.043 0.000 1.010 151 T CB 0.760 69.638 68.868 0.017 0.000 1.264 151 T HN 0.468 nan 8.240 nan 0.000 0.532 152 L N 1.343 122.617 121.223 0.084 0.000 2.356 152 L HA 0.603 4.946 4.340 0.006 0.000 0.277 152 L C 0.863 177.796 176.870 0.105 0.000 0.996 152 L CA -0.618 54.281 54.840 0.098 0.000 0.822 152 L CB 2.440 44.557 42.059 0.097 0.000 1.256 152 L HN 1.197 nan 8.230 nan 0.000 0.413 153 T N -2.348 112.273 114.554 0.113 0.000 3.098 153 T HA 0.050 4.404 4.350 0.006 0.000 0.256 153 T C 0.399 175.166 174.700 0.111 0.000 0.921 153 T CA -0.339 61.834 62.100 0.122 0.000 0.916 153 T CB 0.135 69.073 68.868 0.115 0.000 1.246 153 T HN 0.540 nan 8.240 nan 0.000 0.511 154 Q N 1.848 121.708 119.800 0.101 0.000 2.492 154 Q HA 0.644 4.988 4.340 0.006 0.000 0.238 154 Q C -0.024 175.983 176.000 0.012 0.000 1.045 154 Q CA -0.573 55.226 55.803 -0.006 0.000 0.934 154 Q CB 0.511 29.237 28.738 -0.021 0.000 1.276 154 Q HN 0.416 nan 8.270 nan 0.000 0.521 155 A N 2.372 125.166 122.820 -0.042 0.000 2.388 155 A HA 0.485 4.808 4.320 0.006 0.000 0.257 155 A C -2.233 175.456 177.584 0.175 0.000 1.095 155 A CA -1.507 50.582 52.037 0.088 0.000 0.791 155 A CB -0.100 19.025 19.000 0.209 0.000 1.029 155 A HN 0.669 nan 8.150 nan 0.000 0.489 156 P HA 0.372 nan 4.420 nan 0.000 0.274 156 P C -0.936 176.473 177.300 0.182 0.000 1.246 156 P CA 0.006 63.178 63.100 0.120 0.000 0.795 156 P CB 0.357 32.075 31.700 0.031 0.000 1.006 157 F N 1.050 120.924 119.950 -0.127 0.000 2.529 157 F HA 0.477 5.008 4.527 0.006 0.000 0.320 157 F C -1.206 174.466 175.800 -0.214 0.000 1.118 157 F CA -0.723 57.179 58.000 -0.163 0.000 0.915 157 F CB 1.326 40.073 39.000 -0.421 0.000 1.161 157 F HN -0.067 nan 8.300 nan 0.000 0.445 158 V N 5.049 124.630 119.914 -0.554 0.000 2.417 158 V HA 0.868 4.991 4.120 0.006 0.000 0.291 158 V C -0.533 175.305 176.094 -0.428 0.000 1.024 158 V CA -0.598 61.477 62.300 -0.375 0.000 0.861 158 V CB 1.182 32.861 31.823 -0.240 0.000 0.985 158 V HN 0.951 nan 8.190 nan 0.000 0.436 159 A N 4.299 126.930 122.820 -0.316 0.000 2.408 159 A HA 0.767 5.091 4.320 0.006 0.000 0.295 159 A C -0.044 177.368 177.584 -0.286 0.000 1.040 159 A CA -0.545 51.256 52.037 -0.395 0.000 0.707 159 A CB 1.183 19.730 19.000 -0.756 0.000 1.235 159 A HN 0.802 nan 8.150 nan 0.000 0.418 160 K N 0.513 120.804 120.400 -0.181 0.000 1.751 160 K HA -0.247 4.076 4.320 0.006 0.000 0.134 160 K C -0.526 176.025 176.600 -0.082 0.000 1.167 160 K CA 2.258 58.493 56.287 -0.087 0.000 0.330 160 K CB -0.811 31.649 32.500 -0.065 0.000 0.663 160 K HN 0.781 nan 8.250 nan 0.000 0.817 161 D N 0.517 120.872 120.400 -0.076 0.000 2.643 161 D HA 0.214 4.858 4.640 0.006 0.000 0.244 161 D C -1.082 175.157 176.300 -0.102 0.000 1.257 161 D CA 0.142 54.098 54.000 -0.074 0.000 0.831 161 D CB 0.806 41.573 40.800 -0.054 0.000 1.043 161 D HN 0.170 nan 8.370 nan 0.000 0.488 162 T N -0.155 114.316 114.554 -0.139 0.000 2.863 162 T HA 0.508 4.861 4.350 0.006 0.000 0.285 162 T C -0.425 174.160 174.700 -0.191 0.000 1.009 162 T CA -0.624 61.364 62.100 -0.187 0.000 0.989 162 T CB 2.335 71.065 68.868 -0.230 0.000 1.004 162 T HN -0.283 nan 8.240 nan 0.000 0.455 163 V N 3.881 123.698 119.914 -0.163 0.000 2.409 163 V HA 0.418 4.542 4.120 0.006 0.000 0.291 163 V C -0.838 175.148 176.094 -0.179 0.000 1.020 163 V CA -0.863 61.372 62.300 -0.108 0.000 0.848 163 V CB 1.385 33.239 31.823 0.051 0.000 0.990 163 V HN 0.593 nan 8.190 nan 0.000 0.430 164 L N 5.647 126.694 121.223 -0.294 0.000 2.289 164 L HA 0.709 5.053 4.340 0.006 0.000 0.285 164 L C -0.247 176.497 176.870 -0.210 0.000 1.049 164 L CA -0.007 54.559 54.840 -0.457 0.000 0.804 164 L CB 1.228 42.719 42.059 -0.947 0.000 1.195 164 L HN 0.746 nan 8.230 nan 0.000 0.428 165 M N 2.364 121.928 119.600 -0.059 0.000 2.322 165 M HA 0.710 5.194 4.480 0.006 0.000 0.286 165 M C -0.701 175.663 176.300 0.106 0.000 1.111 165 M CA -0.182 55.179 55.300 0.101 0.000 0.941 165 M CB 2.326 35.021 32.600 0.158 0.000 1.671 165 M HN 0.522 nan 8.290 nan 0.000 0.470 166 G N 2.902 111.788 108.800 0.143 0.000 2.566 166 G HA2 0.634 4.598 3.960 0.006 0.000 0.311 166 G HA3 0.634 4.598 3.960 0.006 0.000 0.311 166 G C -1.055 173.929 174.900 0.139 0.000 1.322 166 G CA -0.576 44.590 45.100 0.111 0.000 0.969 166 G HN 0.936 nan 8.290 nan 0.000 0.490 167 c N 0.599 119.276 118.600 0.128 0.000 2.595 167 c HA 0.700 5.273 4.570 0.006 0.000 0.384 167 c C 1.091 175.284 174.090 0.170 0.000 1.289 167 c CA -0.309 56.100 56.329 0.133 0.000 2.372 167 c CB 0.861 43.438 42.510 0.111 0.000 2.593 167 c HN 0.680 nan 8.230 nan 0.000 0.639 168 S N -0.286 115.492 115.700 0.129 0.000 2.681 168 S HA 0.779 5.252 4.470 0.006 0.000 0.299 168 S C 0.685 175.309 174.600 0.040 0.000 1.113 168 S CA 0.410 58.662 58.200 0.087 0.000 1.013 168 S CB 1.561 64.748 63.200 -0.023 0.000 1.076 168 S HN 1.346 nan 8.310 nan 0.000 0.534 169 G N -0.285 108.521 108.800 0.009 0.000 2.407 169 G HA2 0.045 4.009 3.960 0.006 0.000 0.210 169 G HA3 0.045 4.009 3.960 0.006 0.000 0.210 169 G C 0.647 175.588 174.900 0.068 0.000 1.015 169 G CA 0.260 45.359 45.100 -0.002 0.000 0.807 169 G HN 0.836 nan 8.290 nan 0.000 0.539 170 A N 0.340 123.246 122.820 0.143 0.000 2.024 170 A HA 0.127 4.450 4.320 0.006 0.000 0.220 170 A C 1.868 179.599 177.584 0.245 0.000 1.164 170 A CA 2.239 54.417 52.037 0.236 0.000 0.643 170 A CB -0.199 18.993 19.000 0.321 0.000 0.806 170 A HN 0.396 nan 8.150 nan 0.000 0.451 171 E N -1.030 119.278 120.200 0.180 0.000 2.472 171 E HA 0.023 4.376 4.350 0.006 0.000 0.200 171 E C 0.484 177.127 176.600 0.071 0.000 1.046 171 E CA 0.516 57.006 56.400 0.151 0.000 0.871 171 E CB -0.063 29.716 29.700 0.133 0.000 0.806 171 E HN 0.552 nan 8.360 nan 0.000 0.533 172 L N -1.599 119.638 121.223 0.025 0.000 3.168 172 L HA 0.366 4.710 4.340 0.006 0.000 0.277 172 L C 1.094 178.090 176.870 0.209 0.000 1.245 172 L CA 0.199 55.034 54.840 -0.008 0.000 1.035 172 L CB 0.790 42.691 42.059 -0.263 0.000 1.399 172 L HN 0.086 nan 8.230 nan 0.000 0.580 173 G N -0.184 108.801 108.800 0.309 0.000 2.153 173 G HA2 -0.256 3.708 3.960 0.006 0.000 0.252 173 G HA3 -0.256 3.708 3.960 0.006 0.000 0.252 173 G C 0.297 175.264 174.900 0.111 0.000 0.994 173 G CA 0.207 45.466 45.100 0.266 0.000 0.698 173 G HN 0.139 nan 8.290 nan 0.000 0.521 174 V N 0.886 120.880 119.914 0.133 0.000 2.521 174 V HA 0.215 4.338 4.120 0.006 0.000 0.286 174 V C 1.361 177.545 176.094 0.150 0.000 1.034 174 V CA 0.097 62.467 62.300 0.117 0.000 1.045 174 V CB 1.157 33.048 31.823 0.112 0.000 0.974 174 V HN 0.520 nan 8.190 nan 0.000 0.480 175 R N 4.304 124.888 120.500 0.140 0.000 2.288 175 R HA 0.353 4.696 4.340 0.006 0.000 0.330 175 R C 0.599 177.077 176.300 0.298 0.000 1.069 175 R CA -0.069 56.153 56.100 0.203 0.000 0.941 175 R CB 0.244 30.645 30.300 0.168 0.000 0.998 175 R HN 0.901 nan 8.270 nan 0.000 0.452 176 G N 2.303 111.283 108.800 0.300 0.000 2.544 176 G HA2 0.428 4.392 3.960 0.006 0.000 0.242 176 G HA3 0.428 4.392 3.960 0.006 0.000 0.242 176 G C -0.940 174.094 174.900 0.224 0.000 1.247 176 G CA 0.093 45.357 45.100 0.273 0.000 0.840 176 G HN 0.823 nan 8.290 nan 0.000 0.578 177 A N 0.316 123.178 122.820 0.070 0.000 2.582 177 A HA 0.541 4.864 4.320 0.006 0.000 0.297 177 A C -0.988 176.518 177.584 -0.131 0.000 1.059 177 A CA -0.388 51.557 52.037 -0.154 0.000 0.705 177 A CB 1.534 20.144 19.000 -0.650 0.000 1.279 177 A HN 1.863 nan 8.150 nan 0.000 0.404 178 V N 2.194 122.014 119.914 -0.158 0.000 2.383 178 V HA 0.532 4.655 4.120 0.006 0.000 0.275 178 V C -0.496 175.468 176.094 -0.217 0.000 1.036 178 V CA -0.445 61.758 62.300 -0.163 0.000 0.889 178 V CB 0.749 32.432 31.823 -0.233 0.000 0.985 178 V HN 0.874 nan 8.190 nan 0.000 0.459 179 N N 5.367 123.900 118.700 -0.279 0.000 2.430 179 N HA 0.777 5.521 4.740 0.006 0.000 0.292 179 N C -0.701 174.346 175.510 -0.773 0.000 1.051 179 N CA -0.222 52.522 53.050 -0.510 0.000 0.917 179 N CB 1.903 40.175 38.487 -0.358 0.000 1.164 179 N HN 0.909 nan 8.380 nan 0.000 0.484 180 A N 1.762 123.824 122.820 -1.264 0.000 2.331 180 A HA 0.758 5.081 4.320 0.006 0.000 0.320 180 A C -1.332 175.535 177.584 -1.194 0.000 1.138 180 A CA -0.517 50.734 52.037 -1.310 0.000 0.790 180 A CB 0.164 17.837 19.000 -2.211 0.000 1.206 180 A HN 0.588 nan 8.150 nan 0.000 0.470 181 F N 0.635 120.274 119.950 -0.519 0.000 2.577 181 F HA 0.338 4.868 4.527 0.006 0.000 0.318 181 F C 0.376 175.943 175.800 -0.388 0.000 1.065 181 F CA -0.692 57.049 58.000 -0.432 0.000 0.929 181 F CB 1.666 40.441 39.000 -0.376 0.000 1.237 181 F HN 0.601 nan 8.300 nan 0.000 0.468 182 D N 2.196 122.466 120.400 -0.216 0.000 2.383 182 D HA 0.001 4.644 4.640 0.006 0.000 0.252 182 D C 1.045 177.225 176.300 -0.200 0.000 1.166 182 D CA -0.027 53.841 54.000 -0.221 0.000 0.879 182 D CB 1.212 41.866 40.800 -0.244 0.000 1.164 182 D HN 0.591 nan 8.370 nan 0.000 0.462 183 L N 5.525 126.708 121.223 -0.067 0.000 2.079 183 L HA -0.180 4.164 4.340 0.006 0.000 0.210 183 L C 1.829 178.820 176.870 0.201 0.000 1.081 183 L CA 1.888 56.777 54.840 0.083 0.000 0.752 183 L CB -0.240 41.821 42.059 0.003 0.000 0.896 183 L HN 0.293 nan 8.230 nan 0.000 0.433 184 K N -1.294 119.128 120.400 0.036 0.000 2.186 184 K HA 0.062 4.386 4.320 0.006 0.000 0.202 184 K C 1.875 178.457 176.600 -0.030 0.000 1.052 184 K CA 1.401 57.730 56.287 0.070 0.000 0.965 184 K CB -0.159 32.335 32.500 -0.009 0.000 0.746 184 K HN 0.602 nan 8.250 nan 0.000 0.457 185 T N -5.079 109.252 114.554 -0.371 0.000 2.971 185 T HA 0.251 4.604 4.350 0.006 0.000 0.252 185 T C 1.403 175.369 174.700 -1.223 0.000 1.022 185 T CA 0.365 62.121 62.100 -0.573 0.000 0.980 185 T CB 0.689 69.365 68.868 -0.319 0.000 1.044 185 T HN 0.194 nan 8.240 nan 0.000 0.501 186 G N 1.507 109.301 108.800 -1.676 0.000 2.159 186 G HA2 -0.259 3.704 3.960 0.006 0.000 0.256 186 G HA3 -0.259 3.704 3.960 0.006 0.000 0.256 186 G C -0.188 174.298 174.900 -0.690 0.000 0.977 186 G CA 0.270 44.196 45.100 -1.958 0.000 0.652 186 G HN 0.873 nan 8.290 nan 0.000 0.531 187 E N -0.062 119.866 120.200 -0.453 0.000 2.354 187 E HA 0.443 4.797 4.350 0.006 0.000 0.269 187 E C 0.455 176.962 176.600 -0.155 0.000 1.036 187 E CA -0.907 55.358 56.400 -0.224 0.000 0.876 187 E CB 0.441 30.015 29.700 -0.210 0.000 1.009 187 E HN 0.324 nan 8.360 nan 0.000 0.416 188 L N 5.189 126.325 121.223 -0.145 0.000 2.418 188 L HA 0.073 4.417 4.340 0.006 0.000 0.274 188 L C 0.626 177.274 176.870 -0.369 0.000 1.135 188 L CA 0.671 55.269 54.840 -0.403 0.000 0.870 188 L CB 0.488 42.342 42.059 -0.341 0.000 1.154 188 L HN 0.616 nan 8.230 nan 0.000 0.462 189 K N 5.570 125.660 120.400 -0.517 0.000 2.078 189 K HA 0.144 4.468 4.320 0.006 0.000 0.203 189 K C -0.414 176.068 176.600 -0.198 0.000 1.043 189 K CA 1.242 57.315 56.287 -0.357 0.000 0.960 189 K CB 0.156 32.375 32.500 -0.468 0.000 0.761 189 K HN 0.767 nan 8.250 nan 0.000 0.448 190 W N -0.333 120.794 121.300 -0.289 0.000 2.959 190 W HA 0.508 5.171 4.660 0.005 0.000 0.358 190 W C -1.622 174.707 176.519 -0.316 0.000 1.228 190 W CA -0.950 56.249 57.345 -0.243 0.000 1.183 190 W CB 0.969 30.324 29.460 -0.175 0.000 1.467 190 W HN -0.242 nan 8.180 nan 0.000 0.578 191 R N 1.048 121.659 120.500 0.185 0.000 2.533 191 R HA 0.607 4.951 4.340 0.006 0.000 0.288 191 R C -1.601 174.691 176.300 -0.013 0.000 1.039 191 R CA -0.345 55.716 56.100 -0.065 0.000 0.909 191 R CB 1.905 32.053 30.300 -0.254 0.000 1.195 191 R HN 0.665 nan 8.270 nan 0.000 0.438 192 A N 5.306 128.093 122.820 -0.055 0.000 2.293 192 A HA 0.500 4.824 4.320 0.006 0.000 0.312 192 A C -0.994 176.472 177.584 -0.196 0.000 1.309 192 A CA -0.549 51.423 52.037 -0.109 0.000 0.839 192 A CB 0.150 19.073 19.000 -0.128 0.000 1.155 192 A HN 0.582 nan 8.150 nan 0.000 0.501 193 F N 1.272 121.209 119.950 -0.022 0.000 2.406 193 F HA 0.401 4.931 4.527 0.006 0.000 0.327 193 F C 1.573 177.406 175.800 0.054 0.000 1.153 193 F CA 0.771 58.793 58.000 0.037 0.000 1.218 193 F CB 1.216 40.254 39.000 0.064 0.000 1.215 193 F HN 0.606 nan 8.300 nan 0.000 0.570 194 A N 0.148 123.198 122.820 0.382 0.000 2.147 194 A HA 0.202 4.525 4.320 0.006 0.000 0.211 194 A C 0.654 178.547 177.584 0.517 0.000 1.160 194 A CA 0.982 53.291 52.037 0.453 0.000 0.781 194 A CB -0.578 18.706 19.000 0.474 0.000 0.842 194 A HN 0.718 nan 8.150 nan 0.000 0.475 195 T N -4.982 109.809 114.554 0.396 0.000 2.883 195 T HA 0.669 5.022 4.350 0.006 0.000 0.296 195 T C 0.102 174.821 174.700 0.033 0.000 1.117 195 T CA 0.083 62.349 62.100 0.276 0.000 1.006 195 T CB 1.494 70.465 68.868 0.171 0.000 1.191 195 T HN 1.938 nan 8.240 nan 0.000 0.508 196 G N 1.209 109.812 108.800 -0.329 0.000 2.447 196 G HA2 0.264 4.228 3.960 0.006 0.000 0.220 196 G HA3 0.264 4.228 3.960 0.006 0.000 0.220 196 G C -0.082 174.511 174.900 -0.512 0.000 1.261 196 G CA -0.061 44.508 45.100 -0.885 0.000 1.000 196 G HN 2.084 nan 8.290 nan 0.000 0.515 197 S N -0.007 115.409 115.700 -0.473 0.000 2.576 197 S HA 0.340 4.814 4.470 0.006 0.000 0.272 197 S C 0.964 175.511 174.600 -0.088 0.000 1.352 197 S CA 0.910 58.973 58.200 -0.228 0.000 1.021 197 S CB 1.198 64.289 63.200 -0.182 0.000 0.887 197 S HN 0.572 nan 8.310 nan 0.000 0.542 198 D N 1.080 121.469 120.400 -0.018 0.000 2.221 198 D HA -0.098 4.545 4.640 0.006 0.000 0.204 198 D C 1.200 177.477 176.300 -0.038 0.000 0.982 198 D CA 1.217 55.227 54.000 0.017 0.000 0.857 198 D CB -0.330 40.524 40.800 0.089 0.000 0.934 198 D HN 0.614 nan 8.370 nan 0.000 0.475 199 D N 0.074 120.446 120.400 -0.047 0.000 2.097 199 D HA -0.109 4.534 4.640 0.006 0.000 0.195 199 D C 2.230 178.517 176.300 -0.022 0.000 0.989 199 D CA 1.466 55.438 54.000 -0.047 0.000 0.827 199 D CB -0.283 40.492 40.800 -0.043 0.000 0.966 199 D HN 0.223 nan 8.370 nan 0.000 0.456 200 S N -0.217 115.480 115.700 -0.005 0.000 2.428 200 S HA -0.059 4.415 4.470 0.006 0.000 0.230 200 S C 2.062 176.761 174.600 0.165 0.000 1.014 200 S CA 0.491 58.755 58.200 0.108 0.000 0.957 200 S CB -0.316 62.879 63.200 -0.007 0.000 0.784 200 S HN 0.069 nan 8.310 nan 0.000 0.499 201 V N 1.232 121.167 119.914 0.035 0.000 3.129 201 V HA 0.196 4.319 4.120 0.006 0.000 0.259 201 V C 0.656 176.621 176.094 -0.215 0.000 1.116 201 V CA 0.327 62.602 62.300 -0.042 0.000 1.127 201 V CB -1.259 30.555 31.823 -0.015 0.000 0.742 201 V HN 0.537 nan 8.190 nan 0.000 0.474 202 R N 0.219 120.612 120.500 -0.179 0.000 2.855 202 R HA -0.141 4.203 4.340 0.006 0.000 0.288 202 R C -0.866 175.236 176.300 -0.328 0.000 0.942 202 R CA 0.116 56.067 56.100 -0.249 0.000 0.705 202 R CB -1.696 28.415 30.300 -0.315 0.000 1.791 202 R HN 0.382 nan 8.270 nan 0.000 0.478 203 L N 1.363 122.422 121.223 -0.274 0.000 2.317 203 L HA 0.663 5.007 4.340 0.006 0.000 0.281 203 L C 1.097 177.915 176.870 -0.088 0.000 1.024 203 L CA -0.749 53.892 54.840 -0.333 0.000 0.810 203 L CB 1.719 43.525 42.059 -0.422 0.000 1.240 203 L HN 0.477 nan 8.230 nan 0.000 0.427 204 A N 2.864 125.678 122.820 -0.011 0.000 2.346 204 A HA 0.152 4.475 4.320 0.006 0.000 0.252 204 A C 1.251 178.965 177.584 0.216 0.000 1.089 204 A CA -0.214 51.865 52.037 0.070 0.000 0.797 204 A CB 0.376 19.421 19.000 0.075 0.000 1.047 204 A HN 0.928 nan 8.150 nan 0.000 0.494 205 K N 0.028 120.510 120.400 0.136 0.000 2.147 205 K HA -0.164 4.159 4.320 0.006 0.000 0.205 205 K C 0.124 176.897 176.600 0.288 0.000 1.049 205 K CA 1.887 58.263 56.287 0.150 0.000 0.936 205 K CB -0.087 32.441 32.500 0.047 0.000 0.722 205 K HN 0.805 nan 8.250 nan 0.000 0.446 206 D N 0.087 120.626 120.400 0.232 0.000 2.525 206 D HA -0.057 4.587 4.640 0.006 0.000 0.229 206 D C -0.078 176.343 176.300 0.202 0.000 1.202 206 D CA -0.685 53.434 54.000 0.198 0.000 0.828 206 D CB -0.827 40.039 40.800 0.110 0.000 1.008 206 D HN 0.068 nan 8.370 nan 0.000 0.493 207 F N 2.749 122.764 119.950 0.109 0.000 2.593 207 F HA 0.060 4.590 4.527 0.005 0.000 0.393 207 F C 0.742 176.490 175.800 -0.087 0.000 1.037 207 F CA -0.061 57.933 58.000 -0.011 0.000 1.195 207 F CB -0.037 38.922 39.000 -0.068 0.000 1.034 207 F HN -0.064 nan 8.300 nan 0.000 0.552 208 N N 2.327 120.681 118.700 -0.576 0.000 2.714 208 N HA -0.271 4.473 4.740 0.006 0.000 0.250 208 N C 1.410 176.729 175.510 -0.318 0.000 1.117 208 N CA 1.113 53.834 53.050 -0.548 0.000 0.719 208 N CB -1.412 36.570 38.487 -0.842 0.000 1.081 208 N HN 0.734 nan 8.380 nan 0.000 0.557 209 S N -1.423 114.177 115.700 -0.166 0.000 2.400 209 S HA -0.070 4.404 4.470 0.006 0.000 0.232 209 S C 1.917 176.439 174.600 -0.130 0.000 1.025 209 S CA 1.035 59.177 58.200 -0.097 0.000 0.993 209 S CB -0.134 63.052 63.200 -0.024 0.000 0.808 209 S HN 0.518 nan 8.310 nan 0.000 0.478 210 A N 1.662 124.377 122.820 -0.174 0.000 2.123 210 A HA 0.219 4.542 4.320 0.006 0.000 0.214 210 A C 0.957 178.381 177.584 -0.267 0.000 1.152 210 A CA 0.325 52.244 52.037 -0.195 0.000 0.728 210 A CB -0.101 18.775 19.000 -0.207 0.000 0.814 210 A HN 0.564 nan 8.150 nan 0.000 0.464 211 N N -0.319 118.141 118.700 -0.399 0.000 2.711 211 N HA 0.142 4.885 4.740 0.006 0.000 0.263 211 N C -2.562 172.643 175.510 -0.507 0.000 1.667 211 N CA -0.790 51.904 53.050 -0.594 0.000 0.785 211 N CB 1.305 38.870 38.487 -1.535 0.000 1.231 211 N HN 0.171 nan 8.380 nan 0.000 0.503 212 P HA -0.170 nan 4.420 nan 0.000 0.223 212 P C 1.038 178.326 177.300 -0.021 0.000 1.144 212 P CA 1.263 64.298 63.100 -0.108 0.000 0.783 212 P CB -0.060 31.615 31.700 -0.041 0.000 0.771 213 H N -2.347 116.657 119.070 -0.109 0.000 2.559 213 H HA -0.017 4.543 4.556 0.006 0.000 0.273 213 H C 1.680 177.101 175.328 0.155 0.000 1.000 213 H CA 0.308 56.359 56.048 0.005 0.000 1.195 213 H CB -1.474 28.289 29.762 0.001 0.000 1.368 213 H HN 0.288 nan 8.280 nan 0.000 0.592 214 Y N 1.684 121.762 120.300 -0.371 0.000 2.439 214 Y HA 0.121 4.676 4.550 0.007 0.000 0.292 214 Y C 1.280 177.165 175.900 -0.024 0.000 1.130 214 Y CA 0.121 58.093 58.100 -0.213 0.000 1.254 214 Y CB 0.492 38.843 38.460 -0.182 0.000 1.000 214 Y HN 0.503 nan 8.280 nan 0.000 0.554 215 G N 0.312 109.199 108.800 0.144 0.000 2.617 215 G HA2 -0.128 3.836 3.960 0.006 0.000 0.686 215 G HA3 -0.128 3.836 3.960 0.006 0.000 0.686 215 G C -0.801 174.237 174.900 0.229 0.000 1.214 215 G CA -0.442 44.759 45.100 0.168 0.000 0.796 215 G HN 0.224 nan 8.290 nan 0.000 0.654 216 Q N -0.515 119.371 119.800 0.143 0.000 2.061 216 Q HA 0.508 4.852 4.340 0.006 0.000 0.159 216 Q C 0.054 176.043 176.000 -0.018 0.000 0.530 216 Q CA -0.119 55.634 55.803 -0.083 0.000 0.728 216 Q CB 0.646 29.035 28.738 -0.583 0.000 1.004 216 Q HN 0.502 nan 8.270 nan 0.000 0.426 217 F N 0.022 120.176 119.950 0.341 0.000 2.399 217 F HA 0.512 5.043 4.527 0.006 0.000 0.328 217 F C 1.271 177.190 175.800 0.198 0.000 1.084 217 F CA 0.148 58.298 58.000 0.250 0.000 1.053 217 F CB 1.151 40.244 39.000 0.154 0.000 1.209 217 F HN 0.585 nan 8.300 nan 0.000 0.502 218 G N 0.982 109.997 108.800 0.360 0.000 2.189 218 G HA2 -0.308 3.656 3.960 0.006 0.000 0.267 218 G HA3 -0.308 3.656 3.960 0.006 0.000 0.267 218 G C 0.887 175.883 174.900 0.159 0.000 0.975 218 G CA 0.575 45.797 45.100 0.204 0.000 0.644 218 G HN 0.631 nan 8.290 nan 0.000 0.537 219 L N 0.593 121.945 121.223 0.214 0.000 2.376 219 L HA 0.167 4.511 4.340 0.006 0.000 0.219 219 L C 2.898 179.793 176.870 0.041 0.000 1.133 219 L CA 1.012 55.892 54.840 0.066 0.000 0.816 219 L CB -0.479 41.534 42.059 -0.076 0.000 0.933 219 L HN 0.307 nan 8.230 nan 0.000 0.449 220 G N -0.278 108.632 108.800 0.183 0.000 2.535 220 G HA2 -0.202 3.761 3.960 0.006 0.000 0.218 220 G HA3 -0.202 3.761 3.960 0.006 0.000 0.218 220 G C 1.518 176.424 174.900 0.010 0.000 1.122 220 G CA 1.420 46.630 45.100 0.184 0.000 0.769 220 G HN 0.482 nan 8.290 nan 0.000 0.549 221 T N -3.357 111.172 114.554 -0.042 0.000 3.010 221 T HA 0.238 4.592 4.350 0.006 0.000 0.252 221 T C 1.881 176.672 174.700 0.152 0.000 0.963 221 T CA 0.436 62.451 62.100 -0.142 0.000 0.952 221 T CB 0.047 68.697 68.868 -0.363 0.000 1.182 221 T HN 0.151 nan 8.240 nan 0.000 0.495 222 K N 1.954 122.415 120.400 0.102 0.000 2.209 222 K HA -0.046 4.278 4.320 0.006 0.000 0.204 222 K C 1.595 178.244 176.600 0.081 0.000 1.048 222 K CA 1.640 57.981 56.287 0.090 0.000 0.940 222 K CB -0.178 32.355 32.500 0.055 0.000 0.729 222 K HN 0.582 nan 8.250 nan 0.000 0.451 223 T N -2.132 112.463 114.554 0.068 0.000 3.312 223 T HA 0.148 4.502 4.350 0.006 0.000 0.251 223 T C -0.465 174.114 174.700 -0.202 0.000 1.012 223 T CA -0.690 61.347 62.100 -0.104 0.000 0.925 223 T CB -0.318 68.390 68.868 -0.266 0.000 1.049 223 T HN 0.111 nan 8.240 nan 0.000 0.583 224 W N 0.279 121.615 121.300 0.060 0.000 3.029 224 W HA 0.568 5.232 4.660 0.006 0.000 0.339 224 W C -0.469 176.124 176.519 0.123 0.000 1.198 224 W CA -1.094 56.328 57.345 0.128 0.000 1.148 224 W CB 1.488 31.102 29.460 0.257 0.000 1.451 224 W HN 0.011 nan 8.180 nan 0.000 0.564 225 E N 1.422 121.848 120.200 0.377 0.000 2.109 225 E HA 0.481 4.834 4.350 0.006 0.000 0.278 225 E C 0.747 177.488 176.600 0.235 0.000 0.954 225 E CA 0.506 57.048 56.400 0.236 0.000 0.779 225 E CB 0.645 30.438 29.700 0.154 0.000 1.093 225 E HN 0.651 nan 8.360 nan 0.000 0.401 226 G N 4.828 113.750 108.800 0.204 0.000 2.552 226 G HA2 -0.306 3.658 3.960 0.006 0.000 0.265 226 G HA3 -0.306 3.658 3.960 0.006 0.000 0.265 226 G C 0.149 175.144 174.900 0.159 0.000 1.234 226 G CA 0.177 45.368 45.100 0.153 0.000 0.944 226 G HN 0.696 nan 8.290 nan 0.000 0.568 227 D N 1.467 121.830 120.400 -0.061 0.000 2.370 227 D HA 0.449 5.093 4.640 0.006 0.000 0.230 227 D C 2.074 177.958 176.300 -0.693 0.000 1.143 227 D CA 1.023 54.731 54.000 -0.487 0.000 0.834 227 D CB -0.230 40.304 40.800 -0.443 0.000 0.944 227 D HN 0.792 nan 8.370 nan 0.000 0.504 228 A N 0.834 123.488 122.820 -0.277 0.000 2.070 228 A HA -0.141 4.182 4.320 0.006 0.000 0.220 228 A C 1.899 179.190 177.584 -0.489 0.000 1.159 228 A CA 0.561 52.499 52.037 -0.165 0.000 0.656 228 A CB -0.900 18.251 19.000 0.252 0.000 0.800 228 A HN 0.562 nan 8.150 nan 0.000 0.453 229 W N 0.126 120.998 121.300 -0.712 0.000 2.525 229 W HA -0.026 4.637 4.660 0.005 0.000 0.259 229 W C 1.058 177.160 176.519 -0.695 0.000 1.253 229 W CA 0.877 57.399 57.345 -1.371 0.000 1.262 229 W CB -0.635 27.981 29.460 -1.407 0.000 1.122 229 W HN 0.267 nan 8.180 nan 0.000 0.607 230 K N 1.677 121.397 120.400 -1.134 0.000 2.209 230 K HA -0.097 4.226 4.320 0.006 0.000 0.204 230 K C 1.622 177.936 176.600 -0.476 0.000 1.048 230 K CA 1.780 57.553 56.287 -0.856 0.000 0.940 230 K CB -0.237 31.682 32.500 -0.968 0.000 0.729 230 K HN 0.388 nan 8.250 nan 0.000 0.451 231 I N -3.838 116.444 120.570 -0.479 0.000 3.569 231 I HA 0.312 4.486 4.170 0.006 0.000 0.334 231 I C 0.790 176.832 176.117 -0.126 0.000 1.570 231 I CA -0.431 60.637 61.300 -0.387 0.000 1.082 231 I CB 0.720 38.234 38.000 -0.810 0.000 1.323 231 I HN -0.162 nan 8.210 nan 0.000 0.489 232 G N 0.876 109.581 108.800 -0.158 0.000 3.124 232 G HA2 0.444 4.407 3.960 0.006 0.000 0.212 232 G HA3 0.444 4.407 3.960 0.006 0.000 0.212 232 G C 0.917 175.998 174.900 0.302 0.000 1.181 232 G CA 0.405 45.506 45.100 0.003 0.000 0.803 232 G HN 0.816 nan 8.290 nan 0.000 0.529 233 G N -0.312 108.637 108.800 0.249 0.000 2.539 233 G HA2 0.279 4.243 3.960 0.006 0.000 0.256 233 G HA3 0.279 4.243 3.960 0.006 0.000 0.256 233 G C 1.057 176.161 174.900 0.339 0.000 1.233 233 G CA 0.909 46.194 45.100 0.308 0.000 0.936 233 G HN 1.914 nan 8.290 nan 0.000 0.571 234 G N -2.376 106.645 108.800 0.368 0.000 2.141 234 G HA2 0.174 4.138 3.960 0.006 0.000 0.242 234 G HA3 0.174 4.138 3.960 0.006 0.000 0.242 234 G C 0.907 176.030 174.900 0.372 0.000 0.982 234 G CA 1.440 46.772 45.100 0.386 0.000 0.662 234 G HN 2.774 nan 8.290 nan 0.000 0.527 235 T N 0.038 114.815 114.554 0.370 0.000 2.940 235 T HA 0.426 4.780 4.350 0.006 0.000 0.309 235 T C 0.299 175.234 174.700 0.392 0.000 1.056 235 T CA 0.219 62.543 62.100 0.373 0.000 1.137 235 T CB 1.268 70.376 68.868 0.399 0.000 0.976 235 T HN 0.864 nan 8.240 nan 0.000 0.547 236 N N 3.282 122.157 118.700 0.291 0.000 2.511 236 N HA 0.137 4.880 4.740 0.006 0.000 0.249 236 N C -0.050 175.513 175.510 0.088 0.000 0.971 236 N CA -1.062 52.067 53.050 0.132 0.000 0.938 236 N CB 1.023 39.616 38.487 0.178 0.000 1.131 236 N HN 1.043 nan 8.380 nan 0.000 0.505 237 W N 1.766 123.073 121.300 0.011 0.000 2.653 237 W HA 0.456 5.118 4.660 0.003 0.000 0.391 237 W C -0.225 176.184 176.519 -0.184 0.000 0.962 237 W CA -0.755 56.559 57.345 -0.052 0.000 1.900 237 W CB -0.608 28.862 29.460 0.017 0.000 1.176 237 W HN 0.383 nan 8.180 nan 0.000 0.582 238 G N 1.453 109.896 108.800 -0.596 0.000 3.329 238 G HA2 0.424 4.387 3.960 0.006 0.000 0.180 238 G HA3 0.424 4.387 3.960 0.006 0.000 0.180 238 G C -1.438 172.986 174.900 -0.794 0.000 1.640 238 G CA -0.309 44.370 45.100 -0.701 0.000 1.018 238 G HN 0.113 nan 8.290 nan 0.000 0.581 239 W N -1.759 119.447 121.300 -0.157 0.000 2.799 239 W HA 0.714 5.376 4.660 0.004 0.000 0.349 239 W C -1.153 175.250 176.519 -0.194 0.000 1.100 239 W CA -0.849 56.457 57.345 -0.066 0.000 1.174 239 W CB 1.108 30.620 29.460 0.087 0.000 1.427 239 W HN 0.334 nan 8.180 nan 0.000 0.547 240 Y N 0.627 121.029 120.300 0.169 0.000 2.650 240 Y HA 0.845 5.399 4.550 0.007 0.000 0.331 240 Y C 0.354 176.190 175.900 -0.107 0.000 1.082 240 Y CA -1.468 56.554 58.100 -0.130 0.000 1.171 240 Y CB 1.656 39.636 38.460 -0.801 0.000 1.326 240 Y HN 0.475 nan 8.280 nan 0.000 0.513 241 A N 0.534 123.473 122.820 0.199 0.000 2.587 241 A HA 0.731 5.054 4.320 0.006 0.000 0.293 241 A C -2.519 175.454 177.584 0.648 0.000 1.087 241 A CA -0.645 51.641 52.037 0.415 0.000 0.692 241 A CB 1.639 20.851 19.000 0.355 0.000 1.291 241 A HN 0.664 nan 8.150 nan 0.000 0.407 242 Y N 0.899 121.580 120.300 0.636 0.000 2.479 242 Y HA 0.547 5.100 4.550 0.006 0.000 0.338 242 Y C -1.715 174.522 175.900 0.563 0.000 1.055 242 Y CA -0.986 57.475 58.100 0.602 0.000 1.023 242 Y CB 1.966 40.806 38.460 0.634 0.000 1.287 242 Y HN 0.665 nan 8.280 nan 0.000 0.447 243 D N 7.885 128.201 120.400 -0.140 0.000 2.441 243 D HA 0.348 4.992 4.640 0.006 0.000 0.231 243 D C -2.253 173.653 176.300 -0.658 0.000 1.073 243 D CA -2.290 51.644 54.000 -0.111 0.000 0.850 243 D CB 2.410 43.275 40.800 0.107 0.000 1.062 243 D HN 0.347 nan 8.370 nan 0.000 0.524 244 P HA -0.135 nan 4.420 nan 0.000 0.216 244 P C 1.299 178.505 177.300 -0.156 0.000 1.150 244 P CA 1.114 63.956 63.100 -0.430 0.000 0.837 244 P CB 0.422 32.021 31.700 -0.168 0.000 0.786 245 K N -0.055 120.308 120.400 -0.063 0.000 2.026 245 K HA -0.089 4.234 4.320 0.006 0.000 0.208 245 K C 1.761 178.363 176.600 0.003 0.000 1.048 245 K CA 1.277 57.566 56.287 0.003 0.000 0.929 245 K CB -0.481 32.047 32.500 0.047 0.000 0.713 245 K HN 0.102 nan 8.250 nan 0.000 0.439 246 L N 0.337 121.557 121.223 -0.006 0.000 2.509 246 L HA 0.050 4.394 4.340 0.006 0.000 0.222 246 L C 0.724 177.601 176.870 0.011 0.000 1.123 246 L CA 0.174 55.028 54.840 0.023 0.000 0.856 246 L CB -0.403 41.700 42.059 0.072 0.000 0.985 246 L HN 0.431 nan 8.230 nan 0.000 0.456 247 N N 0.911 119.587 118.700 -0.040 0.000 2.735 247 N HA -0.198 4.546 4.740 0.006 0.000 0.248 247 N C -0.548 175.054 175.510 0.153 0.000 1.083 247 N CA -0.051 53.051 53.050 0.086 0.000 0.703 247 N CB -0.578 37.989 38.487 0.133 0.000 1.005 247 N HN 0.263 nan 8.380 nan 0.000 0.550 248 L N 1.732 122.964 121.223 0.016 0.000 2.346 248 L HA 0.588 4.931 4.340 0.006 0.000 0.276 248 L C 0.083 176.899 176.870 -0.090 0.000 1.006 248 L CA -1.080 53.685 54.840 -0.125 0.000 0.817 248 L CB 1.111 42.969 42.059 -0.335 0.000 1.272 248 L HN 0.107 nan 8.230 nan 0.000 0.421 249 F N 1.105 120.962 119.950 -0.154 0.000 2.507 249 F HA 0.756 5.286 4.527 0.005 0.000 0.327 249 F C -1.277 174.345 175.800 -0.297 0.000 1.068 249 F CA -0.981 57.034 58.000 0.024 0.000 0.965 249 F CB 0.895 40.016 39.000 0.201 0.000 1.192 249 F HN 0.157 nan 8.300 nan 0.000 0.476 250 Y N 2.010 122.517 120.300 0.344 0.000 2.499 250 Y HA 0.675 5.228 4.550 0.006 0.000 0.347 250 Y C -0.731 175.394 175.900 0.376 0.000 0.987 250 Y CA -1.421 56.774 58.100 0.159 0.000 1.044 250 Y CB 1.759 40.243 38.460 0.040 0.000 1.245 250 Y HN 0.794 nan 8.280 nan 0.000 0.461 251 Y N -1.580 118.835 120.300 0.191 0.000 2.741 251 Y HA 0.804 5.357 4.550 0.006 0.000 0.339 251 Y C -1.052 174.891 175.900 0.071 0.000 1.226 251 Y CA -1.897 56.243 58.100 0.066 0.000 1.072 251 Y CB 0.996 39.461 38.460 0.010 0.000 1.331 251 Y HN 0.797 nan 8.280 nan 0.000 0.453 252 G N 1.054 109.807 108.800 -0.078 0.000 2.461 252 G HA2 0.535 4.498 3.960 0.006 0.000 0.323 252 G HA3 0.535 4.498 3.960 0.006 0.000 0.323 252 G C -1.151 173.802 174.900 0.088 0.000 1.229 252 G CA -0.730 44.291 45.100 -0.132 0.000 0.941 252 G HN 0.995 nan 8.290 nan 0.000 0.477 253 S N 1.042 116.854 115.700 0.186 0.000 2.610 253 S HA 0.723 5.197 4.470 0.006 0.000 0.273 253 S C 0.935 175.679 174.600 0.240 0.000 1.274 253 S CA -0.106 58.304 58.200 0.350 0.000 1.023 253 S CB 1.693 65.239 63.200 0.576 0.000 0.962 253 S HN 0.941 nan 8.310 nan 0.000 0.523 254 G N 1.410 110.378 108.800 0.281 0.000 2.489 254 G HA2 0.261 4.225 3.960 0.006 0.000 0.271 254 G HA3 0.261 4.225 3.960 0.006 0.000 0.271 254 G C 0.104 175.189 174.900 0.308 0.000 1.427 254 G CA -0.920 44.363 45.100 0.305 0.000 1.057 254 G HN 0.938 nan 8.290 nan 0.000 0.532 255 N N 0.873 119.769 118.700 0.328 0.000 2.503 255 N HA 0.239 4.982 4.740 0.006 0.000 0.267 255 N C -2.712 172.968 175.510 0.283 0.000 1.214 255 N CA -1.079 52.125 53.050 0.256 0.000 0.959 255 N CB 1.571 40.177 38.487 0.199 0.000 1.142 255 N HN 0.187 nan 8.380 nan 0.000 0.455 256 P HA 0.250 nan 4.420 nan 0.000 0.279 256 P C -1.167 176.316 177.300 0.305 0.000 1.252 256 P CA -0.445 62.853 63.100 0.330 0.000 0.811 256 P CB 1.058 32.891 31.700 0.221 0.000 1.035 257 A N 3.099 126.140 122.820 0.368 0.000 2.340 257 A HA 0.775 5.099 4.320 0.006 0.000 0.331 257 A C -2.391 175.333 177.584 0.233 0.000 1.140 257 A CA -1.934 50.282 52.037 0.299 0.000 0.801 257 A CB 0.837 20.065 19.000 0.379 0.000 1.234 257 A HN 0.408 nan 8.150 nan 0.000 0.469 258 P HA 0.186 nan 4.420 nan 0.000 0.306 258 P C -0.013 177.328 177.300 0.068 0.000 1.309 258 P CA -0.396 62.495 63.100 -0.348 0.000 0.759 258 P CB 0.516 31.508 31.700 -1.180 0.000 1.314 259 W N -1.172 120.014 121.300 -0.189 0.000 2.465 259 W HA 0.015 4.676 4.660 0.001 0.000 0.268 259 W C 1.145 177.694 176.519 0.050 0.000 1.242 259 W CA 0.481 57.837 57.345 0.019 0.000 1.248 259 W CB -1.759 27.709 29.460 0.013 0.000 1.118 259 W HN 0.271 nan 8.180 nan 0.000 0.587 260 N N 2.116 120.863 118.700 0.077 0.000 2.400 260 N HA -0.070 4.673 4.740 0.006 0.000 0.278 260 N C 1.205 176.718 175.510 0.005 0.000 1.247 260 N CA 0.565 53.629 53.050 0.024 0.000 0.970 260 N CB 0.662 39.073 38.487 -0.127 0.000 1.312 260 N HN 0.294 nan 8.380 nan 0.000 0.488 261 E N 1.739 121.930 120.200 -0.015 0.000 2.204 261 E HA -0.137 4.216 4.350 0.006 0.000 0.195 261 E C 0.944 177.576 176.600 0.054 0.000 0.990 261 E CA 1.617 57.947 56.400 -0.116 0.000 0.821 261 E CB -0.442 29.094 29.700 -0.273 0.000 0.750 261 E HN 0.458 nan 8.360 nan 0.000 0.477 262 T N 0.408 114.998 114.554 0.060 0.000 2.995 262 T HA 0.031 4.385 4.350 0.006 0.000 0.269 262 T C 1.467 176.213 174.700 0.076 0.000 1.091 262 T CA 1.254 63.398 62.100 0.073 0.000 1.128 262 T CB -0.179 68.727 68.868 0.063 0.000 0.891 262 T HN 0.203 nan 8.240 nan 0.000 0.492 263 M N 1.239 120.881 119.600 0.070 0.000 2.618 263 M HA 0.119 4.602 4.480 0.006 0.000 0.240 263 M C 0.558 176.941 176.300 0.138 0.000 1.123 263 M CA 0.614 55.971 55.300 0.094 0.000 1.060 263 M CB 0.191 32.837 32.600 0.076 0.000 1.535 263 M HN 0.182 nan 8.290 nan 0.000 0.507 264 R N -0.110 120.473 120.500 0.138 0.000 2.754 264 R HA 0.358 4.702 4.340 0.006 0.000 0.255 264 R C -3.102 173.282 176.300 0.141 0.000 1.723 264 R CA -1.384 54.820 56.100 0.172 0.000 1.596 264 R CB -0.308 30.113 30.300 0.201 0.000 1.424 264 R HN -0.125 nan 8.270 nan 0.000 0.662 265 P HA 0.278 nan 4.420 nan 0.000 0.269 265 P C 0.244 177.472 177.300 -0.120 0.000 1.215 265 P CA 0.871 63.939 63.100 -0.054 0.000 0.780 265 P CB 1.220 32.886 31.700 -0.057 0.000 0.898 266 G N 1.924 110.567 108.800 -0.262 0.000 2.459 266 G HA2 -0.123 3.841 3.960 0.006 0.000 0.685 266 G HA3 -0.123 3.841 3.960 0.006 0.000 0.685 266 G C 0.032 174.765 174.900 -0.277 0.000 1.303 266 G CA -0.471 44.472 45.100 -0.262 0.000 0.907 266 G HN 0.349 nan 8.290 nan 0.000 0.632 267 D N 0.628 120.847 120.400 -0.301 0.000 2.310 267 D HA -0.015 4.629 4.640 0.006 0.000 0.212 267 D C 1.456 177.510 176.300 -0.409 0.000 0.965 267 D CA 1.225 55.055 54.000 -0.284 0.000 0.879 267 D CB -0.088 40.537 40.800 -0.291 0.000 0.921 267 D HN 0.588 nan 8.370 nan 0.000 0.510 268 N N 0.575 118.833 118.700 -0.738 0.000 2.740 268 N HA -0.203 4.541 4.740 0.006 0.000 0.248 268 N C -0.459 174.829 175.510 -0.370 0.000 1.062 268 N CA 0.619 52.959 53.050 -1.183 0.000 0.704 268 N CB -1.363 36.531 38.487 -0.990 0.000 0.968 268 N HN 0.392 nan 8.380 nan 0.000 0.547 269 K N -0.668 119.541 120.400 -0.319 0.000 2.295 269 K HA 0.103 4.427 4.320 0.006 0.000 0.270 269 K C 0.272 176.987 176.600 0.192 0.000 1.011 269 K CA 0.032 56.113 56.287 -0.342 0.000 0.953 269 K CB 0.417 32.200 32.500 -1.196 0.000 0.956 269 K HN 0.197 nan 8.250 nan 0.000 0.477 270 W N 2.312 123.846 121.300 0.391 0.000 2.102 270 W HA 0.088 4.751 4.660 0.006 0.000 0.357 270 W C 0.374 177.061 176.519 0.281 0.000 0.717 270 W CA -0.513 56.994 57.345 0.269 0.000 2.518 270 W CB 0.071 29.752 29.460 0.369 0.000 2.010 270 W HN 0.530 nan 8.180 nan 0.000 0.672 271 T N -2.577 112.204 114.554 0.378 0.000 2.788 271 T HA 0.228 4.582 4.350 0.006 0.000 0.287 271 T C 1.115 175.916 174.700 0.169 0.000 1.007 271 T CA -0.336 61.960 62.100 0.327 0.000 1.005 271 T CB 0.797 69.853 68.868 0.312 0.000 1.012 271 T HN 0.168 nan 8.240 nan 0.000 0.530 272 M N -0.648 119.043 119.600 0.152 0.000 2.393 272 M HA -0.145 4.339 4.480 0.006 0.000 0.201 272 M C -0.122 176.125 176.300 -0.089 0.000 0.403 272 M CA 0.686 56.020 55.300 0.056 0.000 0.471 272 M CB -3.293 29.338 32.600 0.052 0.000 1.669 272 M HN 0.891 nan 8.290 nan 0.000 0.864 273 T N 0.719 115.199 114.554 -0.123 0.000 2.829 273 T HA 0.738 5.092 4.350 0.006 0.000 0.280 273 T C 0.622 174.956 174.700 -0.610 0.000 0.999 273 T CA -0.600 61.244 62.100 -0.427 0.000 0.983 273 T CB 2.083 70.588 68.868 -0.606 0.000 0.968 273 T HN 0.255 nan 8.240 nan 0.000 0.446 274 I N 3.015 123.260 120.570 -0.541 0.000 2.352 274 I HA 0.300 4.474 4.170 0.006 0.000 0.290 274 I C -0.606 175.150 176.117 -0.603 0.000 1.036 274 I CA -0.432 60.603 61.300 -0.442 0.000 1.336 274 I CB 0.625 38.519 38.000 -0.177 0.000 1.407 274 I HN 0.539 nan 8.210 nan 0.000 0.497 275 W N 4.169 125.088 121.300 -0.635 0.000 2.578 275 W HA 0.642 5.305 4.660 0.006 0.000 0.346 275 W C 0.403 176.288 176.519 -1.056 0.000 1.075 275 W CA -0.777 56.072 57.345 -0.828 0.000 1.233 275 W CB 1.755 30.664 29.460 -0.919 0.000 1.358 275 W HN 0.442 nan 8.180 nan 0.000 0.574 276 G N 2.304 110.434 108.800 -1.117 0.000 2.990 276 G HA2 0.634 4.598 3.960 0.006 0.000 0.300 276 G HA3 0.634 4.598 3.960 0.006 0.000 0.300 276 G C -0.974 173.395 174.900 -0.885 0.000 1.498 276 G CA -0.825 43.444 45.100 -1.386 0.000 1.074 276 G HN 0.392 nan 8.290 nan 0.000 0.542 277 R N 1.132 121.072 120.500 -0.934 0.000 2.711 277 R HA 0.333 4.677 4.340 0.006 0.000 0.284 277 R C -1.140 174.826 176.300 -0.557 0.000 0.968 277 R CA -0.911 54.723 56.100 -0.777 0.000 0.924 277 R CB 2.414 32.109 30.300 -1.009 0.000 1.162 277 R HN 0.574 nan 8.270 nan 0.000 0.465 278 D N 1.540 121.768 120.400 -0.287 0.000 2.348 278 D HA -0.013 4.631 4.640 0.006 0.000 0.253 278 D C 0.971 177.345 176.300 0.124 0.000 1.161 278 D CA -0.299 53.657 54.000 -0.074 0.000 0.876 278 D CB 0.967 41.715 40.800 -0.088 0.000 1.160 278 D HN 0.317 nan 8.370 nan 0.000 0.459 279 L N 4.036 125.463 121.223 0.339 0.000 2.042 279 L HA -0.128 4.215 4.340 0.006 0.000 0.210 279 L C 1.291 178.381 176.870 0.366 0.000 1.076 279 L CA 1.873 56.992 54.840 0.466 0.000 0.749 279 L CB -0.333 41.937 42.059 0.352 0.000 0.893 279 L HN 0.560 nan 8.230 nan 0.000 0.432 280 D N -1.448 119.080 120.400 0.214 0.000 2.149 280 D HA -0.105 4.538 4.640 0.006 0.000 0.201 280 D C 1.972 178.361 176.300 0.148 0.000 0.972 280 D CA 1.878 55.991 54.000 0.188 0.000 0.835 280 D CB -0.014 40.845 40.800 0.099 0.000 0.966 280 D HN 0.566 nan 8.370 nan 0.000 0.476 281 T N -3.801 110.690 114.554 -0.106 0.000 2.990 281 T HA 0.348 4.702 4.350 0.006 0.000 0.249 281 T C 1.743 175.786 174.700 -1.096 0.000 1.039 281 T CA 0.842 62.702 62.100 -0.400 0.000 1.036 281 T CB 0.897 69.606 68.868 -0.265 0.000 0.994 281 T HN 0.180 nan 8.240 nan 0.000 0.489 282 G N 1.863 110.035 108.800 -1.048 0.000 2.179 282 G HA2 -0.226 3.738 3.960 0.006 0.000 0.260 282 G HA3 -0.226 3.738 3.960 0.006 0.000 0.260 282 G C 0.160 174.566 174.900 -0.823 0.000 0.977 282 G CA 0.199 44.372 45.100 -1.546 0.000 0.641 282 G HN 0.479 nan 8.290 nan 0.000 0.533 283 M N 1.289 120.554 119.600 -0.559 0.000 2.238 283 M HA 0.503 4.986 4.480 0.006 0.000 0.350 283 M C 0.938 177.050 176.300 -0.314 0.000 1.321 283 M CA -0.117 54.959 55.300 -0.374 0.000 1.097 283 M CB 0.423 32.877 32.600 -0.244 0.000 1.713 283 M HN 0.632 nan 8.290 nan 0.000 0.455 284 A N 4.208 126.848 122.820 -0.300 0.000 2.409 284 A HA 0.167 4.491 4.320 0.006 0.000 0.267 284 A C 1.151 178.776 177.584 0.067 0.000 1.127 284 A CA -0.287 51.644 52.037 -0.178 0.000 0.795 284 A CB 0.168 19.078 19.000 -0.150 0.000 1.061 284 A HN 0.980 nan 8.150 nan 0.000 0.502 285 K N 2.680 123.098 120.400 0.028 0.000 2.166 285 K HA 0.067 4.391 4.320 0.006 0.000 0.201 285 K C 0.007 176.800 176.600 0.322 0.000 1.052 285 K CA 0.792 57.176 56.287 0.161 0.000 0.969 285 K CB 0.141 32.708 32.500 0.113 0.000 0.761 285 K HN 0.877 nan 8.250 nan 0.000 0.459 286 W N -1.105 120.278 121.300 0.140 0.000 3.248 286 W HA 0.567 5.230 4.660 0.005 0.000 0.311 286 W C -1.377 175.175 176.519 0.055 0.000 1.258 286 W CA -1.036 56.272 57.345 -0.061 0.000 1.191 286 W CB 0.606 30.010 29.460 -0.093 0.000 1.389 286 W HN -0.015 nan 8.180 nan 0.000 0.561 287 G N 1.532 110.411 108.800 0.133 0.000 2.739 287 G HA2 0.505 4.468 3.960 0.006 0.000 0.292 287 G HA3 0.505 4.468 3.960 0.006 0.000 0.292 287 G C -2.960 171.907 174.900 -0.055 0.000 1.444 287 G CA -0.735 44.239 45.100 -0.210 0.000 1.144 287 G HN 0.635 nan 8.290 nan 0.000 0.550 288 Y N 2.109 122.260 120.300 -0.249 0.000 2.338 288 Y HA 0.558 5.111 4.550 0.005 0.000 0.328 288 Y C 0.150 175.826 175.900 -0.373 0.000 0.965 288 Y CA -0.982 56.864 58.100 -0.422 0.000 1.208 288 Y CB 1.866 40.022 38.460 -0.507 0.000 1.132 288 Y HN 0.543 nan 8.280 nan 0.000 0.469 289 Q N 6.211 125.540 119.800 -0.785 0.000 2.323 289 Q HA 0.173 4.517 4.340 0.006 0.000 0.257 289 Q C 0.246 175.624 176.000 -1.035 0.000 1.022 289 Q CA -0.039 55.363 55.803 -0.669 0.000 0.919 289 Q CB 0.943 29.433 28.738 -0.413 0.000 1.220 289 Q HN 0.906 nan 8.270 nan 0.000 0.427 290 K N 1.649 121.593 120.400 -0.760 0.000 2.062 290 K HA 0.006 4.329 4.320 0.006 0.000 0.205 290 K C 0.071 176.546 176.600 -0.207 0.000 1.051 290 K CA 1.080 57.042 56.287 -0.542 0.000 0.941 290 K CB 0.430 32.723 32.500 -0.344 0.000 0.719 290 K HN 0.433 nan 8.250 nan 0.000 0.440 291 T N 3.089 117.588 114.554 -0.092 0.000 3.150 291 T HA 0.269 4.622 4.350 0.006 0.000 0.383 291 T C -2.730 171.978 174.700 0.013 0.000 1.313 291 T CA -1.587 60.566 62.100 0.088 0.000 1.235 291 T CB 1.582 70.654 68.868 0.341 0.000 1.088 291 T HN -0.143 nan 8.240 nan 0.000 0.556 292 P HA 0.147 nan 4.420 nan 0.000 0.271 292 P C 0.048 177.349 177.300 0.003 0.000 1.216 292 P CA 0.065 63.107 63.100 -0.097 0.000 0.776 292 P CB 0.114 31.735 31.700 -0.132 0.000 0.881 293 H N 0.281 119.238 119.070 -0.188 0.000 2.499 293 H HA -0.258 4.302 4.556 0.006 0.000 0.321 293 H C -0.223 174.988 175.328 -0.196 0.000 1.026 293 H CA 0.295 56.214 56.048 -0.216 0.000 1.077 293 H CB -1.521 28.114 29.762 -0.211 0.000 1.612 293 H HN 0.374 nan 8.280 nan 0.000 0.374 294 D N 1.493 121.702 120.400 -0.319 0.000 2.525 294 D HA -0.002 4.641 4.640 0.006 0.000 0.235 294 D C 0.878 176.730 176.300 -0.747 0.000 1.137 294 D CA 1.018 54.833 54.000 -0.309 0.000 0.868 294 D CB 0.643 41.359 40.800 -0.141 0.000 1.180 294 D HN 0.752 nan 8.370 nan 0.000 0.465 295 E N 2.437 121.889 120.200 -1.246 0.000 2.676 295 E HA 0.131 4.484 4.350 0.006 0.000 0.222 295 E C -0.024 175.349 176.600 -2.045 0.000 0.968 295 E CA -0.271 55.113 56.400 -1.694 0.000 1.090 295 E CB 0.593 29.015 29.700 -2.129 0.000 1.066 295 E HN 0.635 nan 8.360 nan 0.000 0.496 296 W N 0.387 121.045 121.300 -1.070 0.000 2.055 296 W HA 0.174 4.836 4.660 0.004 0.000 0.293 296 W C -0.050 175.865 176.519 -1.006 0.000 0.886 296 W CA -0.457 56.017 57.345 -1.451 0.000 1.384 296 W CB 0.509 28.809 29.460 -1.934 0.000 1.068 296 W HN 0.037 nan 8.180 nan 0.000 0.513 297 D N 1.172 121.249 120.400 -0.539 0.000 2.716 297 D HA -0.245 4.399 4.640 0.006 0.000 0.239 297 D C -0.400 175.900 176.300 -0.001 0.000 1.125 297 D CA 0.679 54.421 54.000 -0.430 0.000 0.681 297 D CB -1.793 38.417 40.800 -0.983 0.000 1.070 297 D HN 0.252 nan 8.370 nan 0.000 0.432 298 F N 0.236 120.243 119.950 0.094 0.000 2.733 298 F HA 0.441 4.969 4.527 0.001 0.000 0.344 298 F C 1.633 177.531 175.800 0.163 0.000 1.179 298 F CA -0.639 57.442 58.000 0.135 0.000 1.316 298 F CB -0.135 38.939 39.000 0.123 0.000 1.577 298 F HN 0.230 nan 8.300 nan 0.000 0.591 299 A N 1.038 124.088 122.820 0.382 0.000 2.558 299 A HA 0.060 4.383 4.320 0.006 0.000 0.262 299 A C 1.356 179.090 177.584 0.249 0.000 1.049 299 A CA 0.550 52.804 52.037 0.360 0.000 0.804 299 A CB -0.303 19.039 19.000 0.571 0.000 0.957 299 A HN 0.733 nan 8.150 nan 0.000 0.520 300 G N 1.864 110.778 108.800 0.190 0.000 3.452 300 G HA2 0.314 4.277 3.960 0.006 0.000 0.258 300 G HA3 0.314 4.277 3.960 0.006 0.000 0.258 300 G C 0.736 175.680 174.900 0.073 0.000 1.305 300 G CA 0.513 45.700 45.100 0.146 0.000 1.514 300 G HN 1.555 nan 8.290 nan 0.000 0.593 301 V N -3.160 116.707 119.914 -0.079 0.000 3.649 301 V HA 0.186 4.309 4.120 0.006 0.000 0.275 301 V C 0.516 176.532 176.094 -0.131 0.000 1.281 301 V CA -1.057 61.084 62.300 -0.264 0.000 1.143 301 V CB -0.894 30.395 31.823 -0.891 0.000 0.892 301 V HN 0.119 nan 8.190 nan 0.000 0.441 302 N N 2.256 121.008 118.700 0.086 0.000 2.344 302 N HA 0.023 4.766 4.740 0.006 0.000 0.236 302 N C 0.208 175.911 175.510 0.320 0.000 1.279 302 N CA 0.306 53.455 53.050 0.163 0.000 0.882 302 N CB 0.126 38.563 38.487 -0.084 0.000 1.110 302 N HN 0.732 nan 8.380 nan 0.000 0.436 303 Q N 0.616 120.599 119.800 0.304 0.000 2.342 303 Q HA -0.107 4.237 4.340 0.006 0.000 0.330 303 Q C -0.846 175.307 176.000 0.256 0.000 1.117 303 Q CA 0.380 56.343 55.803 0.267 0.000 1.010 303 Q CB 0.363 29.146 28.738 0.075 0.000 1.204 303 Q HN 0.338 nan 8.270 nan 0.000 0.400 304 M N 4.166 123.880 119.600 0.189 0.000 2.227 304 M HA 0.347 4.831 4.480 0.006 0.000 0.335 304 M C -1.116 175.230 176.300 0.078 0.000 1.053 304 M CA -0.689 54.674 55.300 0.105 0.000 0.973 304 M CB 1.499 34.146 32.600 0.078 0.000 1.623 304 M HN 0.368 nan 8.290 nan 0.000 0.434 305 V N 5.472 125.392 119.914 0.010 0.000 2.378 305 V HA 0.488 4.611 4.120 0.006 0.000 0.288 305 V C -0.077 175.933 176.094 -0.139 0.000 1.016 305 V CA -0.676 61.612 62.300 -0.021 0.000 0.840 305 V CB 1.742 33.543 31.823 -0.038 0.000 0.994 305 V HN 0.692 nan 8.190 nan 0.000 0.431 306 L N 5.638 126.770 121.223 -0.153 0.000 2.275 306 L HA 0.766 5.109 4.340 0.006 0.000 0.288 306 L C 0.393 177.061 176.870 -0.337 0.000 1.046 306 L CA -0.076 54.547 54.840 -0.361 0.000 0.805 306 L CB 1.593 43.277 42.059 -0.625 0.000 1.193 306 L HN 0.821 nan 8.230 nan 0.000 0.426 307 T N -1.884 112.465 114.554 -0.342 0.000 2.864 307 T HA 0.506 4.859 4.350 0.006 0.000 0.299 307 T C -1.115 173.492 174.700 -0.154 0.000 1.166 307 T CA -0.966 60.986 62.100 -0.248 0.000 1.007 307 T CB 2.560 71.121 68.868 -0.511 0.000 1.219 307 T HN 0.293 nan 8.240 nan 0.000 0.506 308 D N 1.792 122.182 120.400 -0.018 0.000 2.440 308 D HA 0.473 5.116 4.640 0.006 0.000 0.239 308 D C -0.406 175.915 176.300 0.036 0.000 1.084 308 D CA -0.214 53.792 54.000 0.010 0.000 0.843 308 D CB 1.666 42.512 40.800 0.077 0.000 1.097 308 D HN 0.560 nan 8.370 nan 0.000 0.531 309 Q N 1.449 121.251 119.800 0.003 0.000 2.456 309 Q HA 0.468 4.811 4.340 0.006 0.000 0.283 309 Q C -2.647 173.355 176.000 0.003 0.000 1.084 309 Q CA -2.076 53.740 55.803 0.022 0.000 0.801 309 Q CB 3.349 32.099 28.738 0.021 0.000 1.434 309 Q HN 0.173 nan 8.270 nan 0.000 0.419 310 P HA 0.123 nan 4.420 nan 0.000 0.282 310 P C -0.900 176.392 177.300 -0.013 0.000 1.262 310 P CA -0.063 63.037 63.100 -0.001 0.000 0.773 310 P CB 0.795 32.500 31.700 0.008 0.000 0.879 311 V N 4.767 124.667 119.914 -0.024 0.000 2.443 311 V HA 0.299 4.422 4.120 0.006 0.000 0.293 311 V C 0.960 177.034 176.094 -0.033 0.000 1.021 311 V CA -0.550 61.730 62.300 -0.035 0.000 0.848 311 V CB 0.527 32.319 31.823 -0.051 0.000 0.998 311 V HN 0.834 nan 8.190 nan 0.000 0.424 312 N N 3.763 122.445 118.700 -0.029 0.000 2.754 312 N HA -0.209 4.534 4.740 0.006 0.000 0.248 312 N C 1.029 176.526 175.510 -0.022 0.000 1.093 312 N CA 0.811 53.845 53.050 -0.028 0.000 0.699 312 N CB -0.684 37.782 38.487 -0.035 0.000 1.016 312 N HN 1.518 nan 8.380 nan 0.000 0.552 313 G N -0.136 108.654 108.800 -0.016 0.000 2.179 313 G HA2 -0.338 3.626 3.960 0.006 0.000 0.260 313 G HA3 -0.338 3.626 3.960 0.006 0.000 0.260 313 G C -0.113 174.780 174.900 -0.010 0.000 0.977 313 G CA 0.952 46.045 45.100 -0.011 0.000 0.641 313 G HN 0.626 nan 8.290 nan 0.000 0.533 314 K N -0.219 120.172 120.400 -0.015 0.000 2.397 314 K HA 0.678 5.001 4.320 0.006 0.000 0.253 314 K C 0.226 176.818 176.600 -0.013 0.000 0.932 314 K CA -1.283 54.996 56.287 -0.013 0.000 0.795 314 K CB 0.975 33.463 32.500 -0.019 0.000 1.159 314 K HN 0.034 nan 8.250 nan 0.000 0.424 315 M N 2.803 122.400 119.600 -0.004 0.000 2.284 315 M HA 0.072 4.556 4.480 0.006 0.000 0.351 315 M C -1.115 175.177 176.300 -0.013 0.000 1.443 315 M CA 1.179 56.479 55.300 -0.000 0.000 1.031 315 M CB 0.280 32.888 32.600 0.013 0.000 1.893 315 M HN 0.545 nan 8.290 nan 0.000 0.456 316 T N 7.821 122.361 114.554 -0.024 0.000 2.886 316 T HA 0.573 4.927 4.350 0.006 0.000 0.292 316 T C -2.750 171.915 174.700 -0.058 0.000 1.012 316 T CA -1.044 61.029 62.100 -0.045 0.000 0.982 316 T CB 1.700 70.530 68.868 -0.063 0.000 1.018 316 T HN 0.486 nan 8.240 nan 0.000 0.451 317 P HA 0.341 nan 4.420 nan 0.000 0.279 317 P C -0.884 176.332 177.300 -0.140 0.000 1.318 317 P CA -0.283 62.761 63.100 -0.092 0.000 0.819 317 P CB 0.389 32.053 31.700 -0.060 0.000 0.927 318 L N 3.798 124.915 121.223 -0.176 0.000 2.331 318 L HA 0.656 5.000 4.340 0.006 0.000 0.268 318 L C 0.348 177.061 176.870 -0.262 0.000 1.015 318 L CA -1.267 53.453 54.840 -0.200 0.000 0.807 318 L CB 1.681 43.634 42.059 -0.176 0.000 1.293 318 L HN 0.253 nan 8.230 nan 0.000 0.451 319 L N 0.244 121.326 121.223 -0.235 0.000 2.438 319 L HA 0.578 4.921 4.340 0.006 0.000 0.270 319 L C -1.029 175.753 176.870 -0.146 0.000 0.972 319 L CA 0.127 54.823 54.840 -0.241 0.000 0.831 319 L CB 1.950 43.852 42.059 -0.261 0.000 1.273 319 L HN 0.591 nan 8.230 nan 0.000 0.405 320 S N 2.083 117.710 115.700 -0.122 0.000 2.568 320 S HA 0.727 5.200 4.470 0.006 0.000 0.302 320 S C -1.592 173.034 174.600 0.042 0.000 1.082 320 S CA -0.488 57.674 58.200 -0.063 0.000 1.009 320 S CB 1.502 64.626 63.200 -0.126 0.000 1.069 320 S HN 0.783 nan 8.310 nan 0.000 0.500 321 H N 0.435 119.460 119.070 -0.076 0.000 3.155 321 H HA 0.409 4.970 4.556 0.008 0.000 0.328 321 H C -1.838 173.449 175.328 -0.069 0.000 1.059 321 H CA -0.393 55.613 56.048 -0.069 0.000 1.378 321 H CB 0.329 30.075 29.762 -0.026 0.000 1.998 321 H HN 0.534 nan 8.280 nan 0.000 0.480 322 I N 4.599 124.836 120.570 -0.556 0.000 2.330 322 I HA 0.177 4.350 4.170 0.006 0.000 0.286 322 I C -0.007 175.689 176.117 -0.700 0.000 1.025 322 I CA -0.488 60.481 61.300 -0.552 0.000 1.197 322 I CB 0.894 38.580 38.000 -0.523 0.000 1.358 322 I HN 0.638 nan 8.210 nan 0.000 0.467 323 D N 4.446 124.570 120.400 -0.460 0.000 2.358 323 D HA 0.166 4.809 4.640 0.006 0.000 0.244 323 D C 1.408 177.598 176.300 -0.183 0.000 1.163 323 D CA -0.291 53.526 54.000 -0.305 0.000 0.945 323 D CB 1.171 41.987 40.800 0.027 0.000 1.152 323 D HN 0.276 nan 8.370 nan 0.000 0.451 324 R N 0.982 121.425 120.500 -0.095 0.000 2.127 324 R HA -0.146 4.198 4.340 0.006 0.000 0.238 324 R C 1.322 177.284 176.300 -0.563 0.000 1.134 324 R CA 1.162 57.209 56.100 -0.087 0.000 0.975 324 R CB -0.886 29.510 30.300 0.159 0.000 0.865 324 R HN 0.606 nan 8.270 nan 0.000 0.447 325 N N 0.017 118.251 118.700 -0.777 0.000 2.609 325 N HA -0.065 4.679 4.740 0.006 0.000 0.190 325 N C 0.975 175.926 175.510 -0.933 0.000 1.157 325 N CA 1.153 53.330 53.050 -1.455 0.000 0.918 325 N CB -0.209 37.849 38.487 -0.715 0.000 0.978 325 N HN 0.297 nan 8.380 nan 0.000 0.448 326 G N -0.896 107.582 108.800 -0.537 0.000 2.143 326 G HA2 -0.208 3.755 3.960 0.006 0.000 0.249 326 G HA3 -0.208 3.755 3.960 0.006 0.000 0.249 326 G C -0.416 174.329 174.900 -0.258 0.000 0.981 326 G CA 0.247 45.151 45.100 -0.326 0.000 0.665 326 G HN 0.317 nan 8.290 nan 0.000 0.528 327 I N 0.744 121.143 120.570 -0.286 0.000 2.377 327 I HA 0.480 4.654 4.170 0.006 0.000 0.293 327 I C 0.507 176.321 176.117 -0.505 0.000 0.987 327 I CA -1.273 59.777 61.300 -0.416 0.000 1.185 327 I CB 1.556 39.215 38.000 -0.570 0.000 1.341 327 I HN 0.163 nan 8.210 nan 0.000 0.455 328 L N 7.504 128.411 121.223 -0.528 0.000 2.260 328 L HA 0.392 4.735 4.340 0.006 0.000 0.289 328 L C -1.320 175.286 176.870 -0.440 0.000 1.057 328 L CA -0.330 54.231 54.840 -0.464 0.000 0.811 328 L CB 0.415 42.125 42.059 -0.582 0.000 1.184 328 L HN 0.383 nan 8.230 nan 0.000 0.429 329 Y N 2.770 122.979 120.300 -0.152 0.000 2.387 329 Y HA 0.522 5.075 4.550 0.006 0.000 0.336 329 Y C 0.235 176.065 175.900 -0.117 0.000 1.067 329 Y CA -0.637 57.404 58.100 -0.100 0.000 1.114 329 Y CB 2.254 40.711 38.460 -0.005 0.000 1.208 329 Y HN 0.412 nan 8.280 nan 0.000 0.458 330 T N 4.738 119.301 114.554 0.015 0.000 2.937 330 T HA 0.626 4.979 4.350 0.006 0.000 0.297 330 T C -1.131 173.505 174.700 -0.107 0.000 0.991 330 T CA -0.545 61.516 62.100 -0.066 0.000 0.990 330 T CB 0.624 69.431 68.868 -0.102 0.000 0.991 330 T HN 0.224 nan 8.240 nan 0.000 0.440 331 L N 2.567 123.701 121.223 -0.148 0.000 2.283 331 L HA 0.594 4.937 4.340 0.006 0.000 0.259 331 L C 0.331 177.048 176.870 -0.254 0.000 1.027 331 L CA -0.989 53.709 54.840 -0.237 0.000 0.828 331 L CB 1.180 43.042 42.059 -0.328 0.000 1.380 331 L HN 0.479 nan 8.230 nan 0.000 0.425 332 N N 1.187 119.701 118.700 -0.310 0.000 2.411 332 N HA 0.072 4.815 4.740 0.006 0.000 0.259 332 N C 0.818 176.131 175.510 -0.328 0.000 1.103 332 N CA -0.195 52.693 53.050 -0.270 0.000 0.954 332 N CB 0.996 39.328 38.487 -0.259 0.000 1.085 332 N HN 0.687 nan 8.380 nan 0.000 0.485 333 R N 2.718 123.111 120.500 -0.177 0.000 2.316 333 R HA 0.027 4.370 4.340 0.006 0.000 0.202 333 R C 0.765 177.238 176.300 0.288 0.000 1.029 333 R CA 0.863 56.985 56.100 0.037 0.000 1.018 333 R CB 0.108 30.303 30.300 -0.175 0.000 0.888 333 R HN 0.569 nan 8.270 nan 0.000 0.471 334 E N 1.462 121.687 120.200 0.042 0.000 2.060 334 E HA -0.079 4.274 4.350 0.006 0.000 0.189 334 E C 1.106 177.706 176.600 -0.000 0.000 0.974 334 E CA 1.382 57.840 56.400 0.098 0.000 0.808 334 E CB 0.100 29.806 29.700 0.009 0.000 0.768 334 E HN 0.748 nan 8.360 nan 0.000 0.453 335 N N -1.755 116.754 118.700 -0.318 0.000 2.181 335 N HA 0.098 4.842 4.740 0.006 0.000 0.207 335 N C 1.117 176.056 175.510 -0.950 0.000 1.182 335 N CA 0.516 53.296 53.050 -0.451 0.000 0.893 335 N CB 1.602 39.930 38.487 -0.266 0.000 1.032 335 N HN 0.149 nan 8.380 nan 0.000 0.513 336 G N 1.111 109.015 108.800 -1.494 0.000 2.176 336 G HA2 -0.259 3.704 3.960 0.006 0.000 0.253 336 G HA3 -0.259 3.704 3.960 0.006 0.000 0.253 336 G C -0.495 174.008 174.900 -0.662 0.000 0.979 336 G CA -0.339 43.788 45.100 -1.622 0.000 0.641 336 G HN 0.353 nan 8.290 nan 0.000 0.530 337 N N 0.219 118.618 118.700 -0.501 0.000 2.412 337 N HA 0.306 5.050 4.740 0.006 0.000 0.258 337 N C 0.251 175.601 175.510 -0.266 0.000 1.236 337 N CA -0.092 52.778 53.050 -0.299 0.000 0.882 337 N CB 0.867 39.207 38.487 -0.245 0.000 1.066 337 N HN 0.372 nan 8.380 nan 0.000 0.465 338 L N 3.597 124.713 121.223 -0.178 0.000 2.319 338 L HA 0.277 4.621 4.340 0.006 0.000 0.280 338 L C 0.672 177.454 176.870 -0.146 0.000 1.099 338 L CA 0.488 55.198 54.840 -0.216 0.000 0.828 338 L CB 0.300 42.224 42.059 -0.226 0.000 1.150 338 L HN 0.629 nan 8.230 nan 0.000 0.442 339 I N 4.015 124.500 120.570 -0.142 0.000 3.565 339 I HA 0.179 4.352 4.170 0.006 0.000 0.287 339 I C -0.341 175.718 176.117 -0.096 0.000 1.193 339 I CA 0.213 61.446 61.300 -0.112 0.000 1.402 339 I CB 0.567 38.497 38.000 -0.117 0.000 1.284 339 I HN 0.284 nan 8.210 nan 0.000 0.454 340 V N 1.026 120.880 119.914 -0.100 0.000 2.760 340 V HA 0.752 4.876 4.120 0.006 0.000 0.309 340 V C -0.825 175.187 176.094 -0.137 0.000 1.077 340 V CA -0.627 61.607 62.300 -0.110 0.000 0.910 340 V CB 1.827 33.581 31.823 -0.116 0.000 1.008 340 V HN 0.195 nan 8.190 nan 0.000 0.424 341 A N 3.246 125.955 122.820 -0.185 0.000 3.158 341 A HA 0.692 5.015 4.320 0.006 0.000 0.302 341 A C -0.628 176.783 177.584 -0.289 0.000 1.162 341 A CA -0.495 51.343 52.037 -0.331 0.000 0.824 341 A CB 0.431 19.304 19.000 -0.212 0.000 1.322 341 A HN 0.603 nan 8.150 nan 0.000 0.510 342 E N 1.127 121.145 120.200 -0.303 0.000 2.221 342 E HA 0.335 4.689 4.350 0.006 0.000 0.268 342 E C -0.618 175.841 176.600 -0.235 0.000 0.933 342 E CA -0.614 55.657 56.400 -0.215 0.000 0.809 342 E CB 1.745 31.349 29.700 -0.159 0.000 1.190 342 E HN 0.535 nan 8.360 nan 0.000 0.406 343 K N 0.990 121.304 120.400 -0.143 0.000 2.368 343 K HA 0.052 4.375 4.320 0.006 0.000 0.282 343 K C 1.369 177.930 176.600 -0.064 0.000 1.035 343 K CA -0.105 56.116 56.287 -0.110 0.000 0.973 343 K CB 0.739 33.207 32.500 -0.053 0.000 0.957 343 K HN 0.296 nan 8.250 nan 0.000 0.474 344 V N -1.306 118.574 119.914 -0.058 0.000 2.970 344 V HA -0.034 4.090 4.120 0.006 0.000 0.260 344 V C 0.542 176.751 176.094 0.192 0.000 1.100 344 V CA 1.014 63.335 62.300 0.035 0.000 1.122 344 V CB -0.331 31.486 31.823 -0.010 0.000 0.721 344 V HN 0.784 nan 8.190 nan 0.000 0.483 345 D N -0.054 120.447 120.400 0.169 0.000 2.927 345 D HA 0.264 4.907 4.640 0.006 0.000 0.219 345 D C -2.450 173.953 176.300 0.172 0.000 1.248 345 D CA -1.060 53.039 54.000 0.165 0.000 0.861 345 D CB 2.648 43.544 40.800 0.160 0.000 1.677 345 D HN -0.021 nan 8.370 nan 0.000 0.511 346 P HA -0.060 nan 4.420 nan 0.000 0.225 346 P C 1.011 178.371 177.300 0.099 0.000 1.148 346 P CA 0.476 63.632 63.100 0.092 0.000 0.779 346 P CB 0.174 31.919 31.700 0.076 0.000 0.780 347 A N 0.117 123.057 122.820 0.200 0.000 2.121 347 A HA 0.010 4.334 4.320 0.006 0.000 0.218 347 A C 1.231 178.821 177.584 0.011 0.000 1.154 347 A CA 0.345 52.487 52.037 0.176 0.000 0.679 347 A CB -1.113 18.097 19.000 0.351 0.000 0.795 347 A HN 0.083 nan 8.150 nan 0.000 0.458 348 V N 2.335 122.237 119.914 -0.020 0.000 2.509 348 V HA -0.028 4.096 4.120 0.006 0.000 0.297 348 V C 0.927 176.814 176.094 -0.346 0.000 1.014 348 V CA 1.051 63.158 62.300 -0.322 0.000 1.127 348 V CB -0.126 31.508 31.823 -0.315 0.000 0.925 348 V HN 0.860 nan 8.190 nan 0.000 0.480 349 N N 3.297 121.684 118.700 -0.522 0.000 2.143 349 N HA -0.028 4.716 4.740 0.006 0.000 0.222 349 N C 0.889 176.113 175.510 -0.476 0.000 1.264 349 N CA 0.483 53.197 53.050 -0.560 0.000 0.897 349 N CB 0.160 38.034 38.487 -1.021 0.000 1.092 349 N HN 0.432 nan 8.380 nan 0.000 0.516 350 V N -2.461 117.084 119.914 -0.615 0.000 2.626 350 V HA 0.247 4.371 4.120 0.006 0.000 0.252 350 V C 0.318 176.277 176.094 -0.225 0.000 1.067 350 V CA 0.758 62.693 62.300 -0.609 0.000 1.081 350 V CB -1.043 29.915 31.823 -1.442 0.000 0.686 350 V HN 0.101 nan 8.190 nan 0.000 0.468 351 F N -0.743 119.098 119.950 -0.183 0.000 2.551 351 F HA 0.549 5.083 4.527 0.012 0.000 0.316 351 F C 1.144 176.906 175.800 -0.064 0.000 1.089 351 F CA -1.250 56.697 58.000 -0.088 0.000 0.915 351 F CB 2.205 41.140 39.000 -0.109 0.000 1.186 351 F HN -0.331 nan 8.300 nan 0.000 0.456 352 K N 1.046 121.556 120.400 0.183 0.000 2.167 352 K HA -0.011 4.313 4.320 0.006 0.000 0.203 352 K C -0.134 176.509 176.600 0.073 0.000 1.052 352 K CA 1.011 57.357 56.287 0.098 0.000 0.956 352 K CB 0.224 32.775 32.500 0.085 0.000 0.735 352 K HN 0.648 nan 8.250 nan 0.000 0.451 353 K N -2.194 118.260 120.400 0.089 0.000 2.999 353 K HA 0.212 4.536 4.320 0.006 0.000 0.295 353 K C -1.571 175.034 176.600 0.008 0.000 1.082 353 K CA -0.917 55.396 56.287 0.043 0.000 0.816 353 K CB 1.012 33.518 32.500 0.011 0.000 1.492 353 K HN -0.251 nan 8.250 nan 0.000 0.362 354 V N 1.583 121.484 119.914 -0.022 0.000 2.370 354 V HA 0.245 4.369 4.120 0.006 0.000 0.283 354 V C -0.710 175.373 176.094 -0.019 0.000 1.023 354 V CA -0.500 61.774 62.300 -0.043 0.000 0.857 354 V CB 1.389 33.197 31.823 -0.026 0.000 0.985 354 V HN 0.747 nan 8.190 nan 0.000 0.443 355 D N 4.148 124.543 120.400 -0.009 0.000 2.325 355 D HA 0.183 4.827 4.640 0.006 0.000 0.251 355 D C 1.012 177.332 176.300 0.033 0.000 1.196 355 D CA -0.172 53.832 54.000 0.006 0.000 0.866 355 D CB 1.537 42.341 40.800 0.008 0.000 1.101 355 D HN 0.459 nan 8.370 nan 0.000 0.476 356 L N 3.576 124.809 121.223 0.016 0.000 2.201 356 L HA -0.175 4.169 4.340 0.006 0.000 0.212 356 L C 2.019 178.919 176.870 0.051 0.000 1.105 356 L CA 0.880 55.733 54.840 0.023 0.000 0.775 356 L CB -0.138 41.913 42.059 -0.013 0.000 0.913 356 L HN 0.228 nan 8.230 nan 0.000 0.440 357 K N -0.223 120.193 120.400 0.026 0.000 2.067 357 K HA -0.056 4.268 4.320 0.006 0.000 0.203 357 K C 2.185 178.808 176.600 0.040 0.000 1.048 357 K CA 1.671 57.955 56.287 -0.006 0.000 0.954 357 K CB -0.826 31.649 32.500 -0.040 0.000 0.737 357 K HN 0.304 nan 8.250 nan 0.000 0.444 358 T N -2.890 111.713 114.554 0.082 0.000 3.023 358 T HA 0.105 4.458 4.350 0.006 0.000 0.266 358 T C 1.577 176.447 174.700 0.283 0.000 1.093 358 T CA 0.736 62.925 62.100 0.148 0.000 1.129 358 T CB -0.233 68.677 68.868 0.071 0.000 0.899 358 T HN 0.316 nan 8.240 nan 0.000 0.491 359 G N 1.584 110.532 108.800 0.246 0.000 2.155 359 G HA2 -0.243 3.721 3.960 0.006 0.000 0.257 359 G HA3 -0.243 3.721 3.960 0.006 0.000 0.257 359 G C 0.259 175.283 174.900 0.206 0.000 0.983 359 G CA 0.724 45.998 45.100 0.290 0.000 0.676 359 G HN 1.243 nan 8.290 nan 0.000 0.528 360 T N -2.276 112.327 114.554 0.082 0.000 2.924 360 T HA 0.733 5.087 4.350 0.006 0.000 0.291 360 T C -3.153 171.478 174.700 -0.114 0.000 1.045 360 T CA -2.039 60.038 62.100 -0.039 0.000 1.015 360 T CB 3.290 72.120 68.868 -0.064 0.000 1.103 360 T HN -0.012 nan 8.240 nan 0.000 0.496 361 P HA 0.346 nan 4.420 nan 0.000 0.275 361 P C -0.760 176.360 177.300 -0.299 0.000 1.227 361 P CA -0.579 62.210 63.100 -0.519 0.000 0.781 361 P CB 0.604 31.446 31.700 -1.430 0.000 0.906 362 V N 5.222 125.041 119.914 -0.157 0.000 2.339 362 V HA 0.161 4.285 4.120 0.006 0.000 0.261 362 V C 0.886 177.011 176.094 0.052 0.000 1.058 362 V CA -0.264 62.017 62.300 -0.032 0.000 0.897 362 V CB -0.601 31.225 31.823 0.006 0.000 1.052 362 V HN 0.478 nan 8.190 nan 0.000 0.480 363 R N 2.830 123.380 120.500 0.084 0.000 2.590 363 R HA 0.229 4.572 4.340 0.006 0.000 0.274 363 R C -0.195 176.236 176.300 0.217 0.000 1.061 363 R CA -0.340 55.905 56.100 0.241 0.000 1.081 363 R CB 0.563 31.013 30.300 0.251 0.000 0.984 363 R HN 0.552 nan 8.270 nan 0.000 0.448 364 D N 2.864 123.431 120.400 0.279 0.000 2.427 364 D HA 0.194 4.838 4.640 0.006 0.000 0.226 364 D C -1.824 174.611 176.300 0.225 0.000 1.076 364 D CA -2.640 51.503 54.000 0.238 0.000 0.849 364 D CB 1.703 42.689 40.800 0.310 0.000 1.052 364 D HN 0.160 nan 8.370 nan 0.000 0.515 365 P HA -0.144 nan 4.420 nan 0.000 0.218 365 P C 1.004 178.301 177.300 -0.006 0.000 1.146 365 P CA 0.821 63.961 63.100 0.066 0.000 0.813 365 P CB 0.336 32.047 31.700 0.017 0.000 0.778 366 E N -1.273 118.874 120.200 -0.090 0.000 2.265 366 E HA -0.131 4.223 4.350 0.006 0.000 0.196 366 E C 0.378 176.623 176.600 -0.592 0.000 0.996 366 E CA 0.779 56.948 56.400 -0.385 0.000 0.832 366 E CB -0.240 29.109 29.700 -0.585 0.000 0.756 366 E HN 0.273 nan 8.360 nan 0.000 0.491 367 F N -0.187 119.848 119.950 0.143 0.000 2.735 367 F HA 0.412 4.942 4.527 0.004 0.000 0.304 367 F C 0.431 176.420 175.800 0.315 0.000 1.119 367 F CA -0.600 57.505 58.000 0.175 0.000 1.280 367 F CB 0.662 39.706 39.000 0.073 0.000 0.994 367 F HN -0.026 nan 8.300 nan 0.000 0.520 368 A N 0.393 123.420 122.820 0.345 0.000 2.259 368 A HA 0.712 5.036 4.320 0.006 0.000 0.278 368 A C 0.460 178.087 177.584 0.072 0.000 1.107 368 A CA -0.020 52.177 52.037 0.268 0.000 0.828 368 A CB 0.219 19.299 19.000 0.133 0.000 1.111 368 A HN 0.230 nan 8.150 nan 0.000 0.498 369 T N -1.527 112.885 114.554 -0.236 0.000 2.908 369 T HA 0.826 5.179 4.350 0.006 0.000 0.290 369 T C -0.639 174.011 174.700 -0.084 0.000 1.034 369 T CA -0.849 61.114 62.100 -0.228 0.000 1.010 369 T CB 1.421 69.810 68.868 -0.798 0.000 1.068 369 T HN 1.245 nan 8.240 nan 0.000 0.481 370 R N 1.133 121.689 120.500 0.095 0.000 2.824 370 R HA 0.355 4.699 4.340 0.006 0.000 0.267 370 R C -0.939 175.462 176.300 0.168 0.000 1.035 370 R CA -1.134 55.026 56.100 0.099 0.000 0.887 370 R CB 0.598 30.933 30.300 0.058 0.000 1.262 370 R HN 0.477 nan 8.270 nan 0.000 0.487 371 M N 1.998 121.675 119.600 0.129 0.000 2.252 371 M HA 0.024 4.508 4.480 0.006 0.000 0.321 371 M C -0.048 176.340 176.300 0.147 0.000 1.070 371 M CA 1.333 56.713 55.300 0.133 0.000 1.143 371 M CB -0.544 32.115 32.600 0.099 0.000 1.498 371 M HN 0.822 nan 8.290 nan 0.000 0.445 372 D N 0.803 121.290 120.400 0.146 0.000 2.837 372 D HA -0.231 4.412 4.640 0.006 0.000 0.230 372 D C -0.330 176.089 176.300 0.199 0.000 1.152 372 D CA 1.164 55.248 54.000 0.140 0.000 0.736 372 D CB -1.575 39.288 40.800 0.105 0.000 1.084 372 D HN 0.790 nan 8.370 nan 0.000 0.429 373 H N -0.256 118.871 119.070 0.094 0.000 3.038 373 H HA 0.467 5.028 4.556 0.008 0.000 0.362 373 H C -1.341 174.067 175.328 0.134 0.000 1.167 373 H CA -0.818 55.285 56.048 0.093 0.000 1.197 373 H CB 1.440 31.245 29.762 0.071 0.000 1.840 373 H HN -0.052 nan 8.280 nan 0.000 0.540 374 K N 3.590 123.653 120.400 -0.561 0.000 2.449 374 K HA 0.495 4.818 4.320 0.006 0.000 0.257 374 K C -0.399 175.884 176.600 -0.528 0.000 0.989 374 K CA -0.682 55.414 56.287 -0.320 0.000 0.916 374 K CB 0.726 33.169 32.500 -0.095 0.000 1.136 374 K HN 0.790 nan 8.250 nan 0.000 0.439 375 G N 2.196 110.860 108.800 -0.227 0.000 2.432 375 G HA2 0.260 4.224 3.960 0.006 0.000 0.257 375 G HA3 0.260 4.224 3.960 0.006 0.000 0.257 375 G C -0.285 174.701 174.900 0.143 0.000 1.238 375 G CA -0.249 44.856 45.100 0.009 0.000 0.838 375 G HN 0.630 nan 8.290 nan 0.000 0.547 376 T N -0.674 113.991 114.554 0.185 0.000 2.907 376 T HA 0.426 4.780 4.350 0.006 0.000 0.292 376 T C 0.260 175.176 174.700 0.360 0.000 1.043 376 T CA -0.897 61.353 62.100 0.250 0.000 1.003 376 T CB 1.610 70.582 68.868 0.174 0.000 1.084 376 T HN 0.579 nan 8.240 nan 0.000 0.483 377 N N 0.454 119.397 118.700 0.405 0.000 2.727 377 N HA -0.133 4.611 4.740 0.006 0.000 0.249 377 N C -0.620 175.073 175.510 0.305 0.000 1.048 377 N CA 0.433 53.722 53.050 0.399 0.000 0.714 377 N CB -1.228 37.466 38.487 0.345 0.000 0.959 377 N HN 0.754 nan 8.380 nan 0.000 0.544 378 I N 0.680 121.406 120.570 0.261 0.000 2.371 378 I HA 0.139 4.312 4.170 0.006 0.000 0.290 378 I C 0.569 176.625 176.117 -0.102 0.000 1.028 378 I CA -0.209 61.157 61.300 0.111 0.000 1.345 378 I CB 0.962 39.085 38.000 0.205 0.000 1.407 378 I HN 0.072 nan 8.210 nan 0.000 0.501 379 c N 7.308 125.713 118.600 -0.324 0.000 2.441 379 c HA 0.496 5.070 4.570 0.006 0.000 0.318 379 c C -2.328 171.333 174.090 -0.714 0.000 1.222 379 c CA -1.406 54.659 56.329 -0.440 0.000 1.474 379 c CB 1.718 44.026 42.510 -0.336 0.000 2.125 379 c HN 0.453 nan 8.230 nan 0.000 0.479 380 P HA 0.280 nan 4.420 nan 0.000 0.276 380 P C -0.158 177.068 177.300 -0.123 0.000 1.261 380 P CA -0.111 62.497 63.100 -0.820 0.000 0.800 380 P CB 0.598 31.658 31.700 -1.066 0.000 1.066 381 S N -0.074 115.640 115.700 0.023 0.000 2.641 381 S HA 0.372 4.845 4.470 0.006 0.000 0.261 381 S C 1.448 176.230 174.600 0.304 0.000 1.257 381 S CA 0.111 58.393 58.200 0.138 0.000 0.983 381 S CB -0.178 63.064 63.200 0.070 0.000 0.990 381 S HN 0.453 nan 8.310 nan 0.000 0.572 382 A N 0.334 123.347 122.820 0.322 0.000 2.019 382 A HA -0.032 4.292 4.320 0.006 0.000 0.219 382 A C 2.144 180.009 177.584 0.468 0.000 1.164 382 A CA 1.433 53.705 52.037 0.391 0.000 0.644 382 A CB -1.009 18.266 19.000 0.458 0.000 0.805 382 A HN 0.828 nan 8.150 nan 0.000 0.449 383 M N -0.826 118.922 119.600 0.247 0.000 2.557 383 M HA 0.150 4.633 4.480 0.006 0.000 0.259 383 M C 1.191 177.745 176.300 0.423 0.000 1.086 383 M CA 0.698 56.166 55.300 0.281 0.000 1.096 383 M CB -0.530 32.110 32.600 0.066 0.000 1.424 383 M HN 0.592 nan 8.290 nan 0.000 0.488 384 G N 0.217 109.230 108.800 0.355 0.000 2.846 384 G HA2 -0.254 3.710 3.960 0.006 0.000 0.660 384 G HA3 -0.254 3.710 3.960 0.006 0.000 0.660 384 G C -0.331 174.779 174.900 0.350 0.000 1.464 384 G CA -0.799 44.446 45.100 0.241 0.000 0.891 384 G HN 0.247 nan 8.290 nan 0.000 0.552 385 F N 1.240 121.183 119.950 -0.012 0.000 2.797 385 F HA 0.306 4.832 4.527 -0.001 0.000 0.302 385 F C 1.325 177.165 175.800 0.068 0.000 1.130 385 F CA 0.785 58.797 58.000 0.020 0.000 1.387 385 F CB -0.121 38.853 39.000 -0.043 0.000 1.107 385 F HN 0.648 nan 8.300 nan 0.000 0.577 386 H N -0.393 118.757 119.070 0.133 0.000 3.129 386 H HA 0.234 4.794 4.556 0.008 0.000 0.342 386 H C -1.068 174.243 175.328 -0.028 0.000 1.092 386 H CA -0.309 55.750 56.048 0.017 0.000 1.310 386 H CB 1.566 31.305 29.762 -0.039 0.000 1.932 386 H HN -0.033 nan 8.280 nan 0.000 0.507 387 N N 1.057 119.719 118.700 -0.064 0.000 3.384 387 N HA -0.034 4.709 4.740 0.006 0.000 0.352 387 N C 0.804 176.330 175.510 0.025 0.000 1.466 387 N CA 0.098 53.088 53.050 -0.100 0.000 0.629 387 N CB 0.889 38.934 38.487 -0.737 0.000 1.810 387 N HN 0.672 nan 8.380 nan 0.000 0.575 388 Q N 0.076 119.852 119.800 -0.039 0.000 2.561 388 Q HA 0.181 4.525 4.340 0.006 0.000 0.217 388 Q C 0.664 176.869 176.000 0.342 0.000 0.980 388 Q CA 0.463 56.423 55.803 0.263 0.000 0.927 388 Q CB -0.874 28.115 28.738 0.420 0.000 0.980 388 Q HN 0.462 nan 8.270 nan 0.000 0.525 389 G N 0.138 108.968 108.800 0.051 0.000 2.491 389 G HA2 0.342 4.306 3.960 0.006 0.000 0.238 389 G HA3 0.342 4.306 3.960 0.006 0.000 0.238 389 G C -0.882 174.065 174.900 0.078 0.000 1.277 389 G CA -0.537 44.596 45.100 0.055 0.000 0.851 389 G HN 0.173 nan 8.290 nan 0.000 0.573 390 V N 3.519 123.366 119.914 -0.111 0.000 2.328 390 V HA 0.208 4.332 4.120 0.006 0.000 0.278 390 V C -0.384 175.634 176.094 -0.128 0.000 1.021 390 V CA -0.793 61.301 62.300 -0.343 0.000 0.838 390 V CB 1.135 32.466 31.823 -0.820 0.000 0.999 390 V HN 0.691 nan 8.190 nan 0.000 0.447 391 D N 2.550 122.977 120.400 0.045 0.000 2.423 391 D HA 0.562 5.205 4.640 0.006 0.000 0.255 391 D C 0.234 176.720 176.300 0.310 0.000 1.174 391 D CA -0.051 54.071 54.000 0.203 0.000 1.008 391 D CB 1.821 42.755 40.800 0.224 0.000 1.101 391 D HN 0.624 nan 8.370 nan 0.000 0.516 392 S N -0.629 115.328 115.700 0.427 0.000 2.600 392 S HA 0.585 5.058 4.470 0.006 0.000 0.300 392 S C -1.201 173.695 174.600 0.492 0.000 1.087 392 S CA -0.874 57.642 58.200 0.527 0.000 0.965 392 S CB 1.752 65.330 63.200 0.631 0.000 1.089 392 S HN 0.467 nan 8.310 nan 0.000 0.496 393 Y N 1.162 121.642 120.300 0.300 0.000 2.391 393 Y HA 0.557 5.110 4.550 0.005 0.000 0.341 393 Y C -1.391 174.587 175.900 0.131 0.000 0.965 393 Y CA -0.973 57.207 58.100 0.134 0.000 1.067 393 Y CB 1.774 40.297 38.460 0.106 0.000 1.199 393 Y HN 0.870 nan 8.280 nan 0.000 0.450 394 D N 8.336 128.338 120.400 -0.662 0.000 2.412 394 D HA 0.327 4.971 4.640 0.006 0.000 0.224 394 D C -1.985 173.771 176.300 -0.908 0.000 1.093 394 D CA -2.680 50.882 54.000 -0.729 0.000 0.850 394 D CB 1.812 42.060 40.800 -0.920 0.000 1.046 394 D HN 0.358 nan 8.370 nan 0.000 0.507 395 P HA -0.129 nan 4.420 nan 0.000 0.222 395 P C 0.708 177.926 177.300 -0.137 0.000 1.147 395 P CA 0.933 63.854 63.100 -0.299 0.000 0.790 395 P CB 0.614 32.348 31.700 0.058 0.000 0.780 396 E N 0.500 120.639 120.200 -0.101 0.000 2.028 396 E HA -0.079 4.275 4.350 0.006 0.000 0.190 396 E C 2.166 178.736 176.600 -0.050 0.000 0.984 396 E CA 1.711 58.095 56.400 -0.027 0.000 0.800 396 E CB -0.246 29.472 29.700 0.030 0.000 0.758 396 E HN 0.321 nan 8.360 nan 0.000 0.448 397 S N -0.014 115.627 115.700 -0.098 0.000 2.558 397 S HA 0.076 4.550 4.470 0.006 0.000 0.217 397 S C 0.481 175.015 174.600 -0.110 0.000 0.975 397 S CA -0.250 57.907 58.200 -0.072 0.000 0.912 397 S CB 0.010 63.188 63.200 -0.037 0.000 0.776 397 S HN 0.151 nan 8.310 nan 0.000 0.526 398 R N 0.941 121.313 120.500 -0.215 0.000 3.209 398 R HA -0.097 4.247 4.340 0.006 0.000 0.252 398 R C -1.107 175.146 176.300 -0.078 0.000 0.958 398 R CA 0.881 56.901 56.100 -0.134 0.000 0.651 398 R CB -2.744 27.602 30.300 0.077 0.000 1.142 398 R HN 0.492 nan 8.270 nan 0.000 0.441 399 T N 0.850 115.206 114.554 -0.330 0.000 2.886 399 T HA 0.526 4.880 4.350 0.006 0.000 0.292 399 T C -0.537 173.866 174.700 -0.495 0.000 1.012 399 T CA -0.777 61.096 62.100 -0.378 0.000 0.982 399 T CB 2.203 70.749 68.868 -0.536 0.000 1.018 399 T HN 0.238 nan 8.240 nan 0.000 0.451 400 L N 3.307 124.333 121.223 -0.329 0.000 2.282 400 L HA 0.560 4.904 4.340 0.006 0.000 0.288 400 L C -1.515 175.087 176.870 -0.446 0.000 1.033 400 L CA -0.567 54.158 54.840 -0.193 0.000 0.807 400 L CB 0.492 42.573 42.059 0.036 0.000 1.209 400 L HN 0.648 nan 8.230 nan 0.000 0.423 401 Y N 5.002 125.338 120.300 0.060 0.000 2.504 401 Y HA 0.642 5.195 4.550 0.004 0.000 0.339 401 Y C 0.548 176.479 175.900 0.051 0.000 0.974 401 Y CA -0.627 57.459 58.100 -0.022 0.000 1.232 401 Y CB 0.931 39.437 38.460 0.077 0.000 1.108 401 Y HN 0.703 nan 8.280 nan 0.000 0.509 402 A N 2.295 125.180 122.820 0.109 0.000 2.301 402 A HA 0.707 5.031 4.320 0.006 0.000 0.312 402 A C 0.532 178.140 177.584 0.040 0.000 1.182 402 A CA -0.422 51.711 52.037 0.161 0.000 0.826 402 A CB 0.373 19.547 19.000 0.289 0.000 1.134 402 A HN 0.844 nan 8.150 nan 0.000 0.501 403 G N 1.883 110.683 108.800 0.001 0.000 2.356 403 G HA2 0.532 4.496 3.960 0.006 0.000 0.312 403 G HA3 0.532 4.496 3.960 0.006 0.000 0.312 403 G C -0.413 174.364 174.900 -0.205 0.000 1.096 403 G CA -0.298 44.737 45.100 -0.108 0.000 0.950 403 G HN 0.643 nan 8.290 nan 0.000 0.428 404 L N 2.076 123.215 121.223 -0.139 0.000 2.304 404 L HA 0.567 4.911 4.340 0.006 0.000 0.268 404 L C -0.381 176.464 176.870 -0.040 0.000 1.010 404 L CA -1.402 53.371 54.840 -0.113 0.000 0.813 404 L CB 1.915 43.917 42.059 -0.096 0.000 1.315 404 L HN 0.353 nan 8.230 nan 0.000 0.445 405 N N -0.688 118.029 118.700 0.027 0.000 2.319 405 N HA 0.312 5.055 4.740 0.006 0.000 0.305 405 N C -1.182 174.314 175.510 -0.022 0.000 1.103 405 N CA -0.567 52.573 53.050 0.150 0.000 0.815 405 N CB 1.700 40.393 38.487 0.343 0.000 1.288 405 N HN 0.515 nan 8.380 nan 0.000 0.493 406 H N 0.994 120.009 119.070 -0.092 0.000 2.423 406 H HA 0.554 5.108 4.556 -0.004 0.000 0.237 406 H C -1.143 174.224 175.328 0.064 0.000 1.391 406 H CA -0.241 55.660 56.048 -0.245 0.000 1.453 406 H CB -0.337 29.393 29.762 -0.054 0.000 1.484 406 H HN 0.453 nan 8.280 nan 0.000 0.505 407 I N 2.789 123.444 120.570 0.142 0.000 2.569 407 I HA 0.336 4.510 4.170 0.006 0.000 0.290 407 I C -0.436 175.753 176.117 0.121 0.000 1.088 407 I CA -0.642 60.721 61.300 0.104 0.000 1.047 407 I CB 1.861 39.929 38.000 0.114 0.000 1.237 407 I HN 0.434 nan 8.210 nan 0.000 0.421 408 c N 5.204 123.752 118.600 -0.087 0.000 2.967 408 c HA 0.887 5.460 4.570 0.006 0.000 0.372 408 c C -0.098 173.682 174.090 -0.516 0.000 1.455 408 c CA -0.576 55.654 56.329 -0.165 0.000 1.638 408 c CB 1.859 44.358 42.510 -0.019 0.000 2.096 408 c HN 0.897 nan 8.230 nan 0.000 0.466 409 M N -0.066 119.332 119.600 -0.336 0.000 2.880 409 M HA 0.635 5.119 4.480 0.006 0.000 0.269 409 M C -2.543 173.834 176.300 0.130 0.000 1.248 409 M CA -0.309 54.820 55.300 -0.285 0.000 0.821 409 M CB 1.785 34.394 32.600 0.015 0.000 1.650 409 M HN 0.356 nan 8.290 nan 0.000 0.479 410 D N 0.930 121.474 120.400 0.240 0.000 2.342 410 D HA 0.657 5.301 4.640 0.006 0.000 0.243 410 D C -1.912 174.611 176.300 0.371 0.000 1.019 410 D CA 0.386 54.577 54.000 0.320 0.000 0.864 410 D CB 2.226 43.210 40.800 0.307 0.000 1.315 410 D HN 0.626 nan 8.370 nan 0.000 0.468 411 W N 2.211 123.580 121.300 0.115 0.000 3.439 411 W HA 0.382 5.041 4.660 -0.002 0.000 0.323 411 W C -1.744 174.815 176.519 0.067 0.000 1.174 411 W CA -0.644 56.769 57.345 0.113 0.000 1.224 411 W CB 1.341 30.875 29.460 0.124 0.000 1.348 411 W HN 0.436 nan 8.180 nan 0.000 0.498 412 E N 7.923 128.248 120.200 0.208 0.000 2.274 412 E HA 0.478 4.832 4.350 0.006 0.000 0.269 412 E C -2.660 173.984 176.600 0.073 0.000 0.891 412 E CA -1.794 54.731 56.400 0.209 0.000 0.784 412 E CB 3.267 33.044 29.700 0.129 0.000 1.225 412 E HN 0.008 nan 8.360 nan 0.000 0.412 413 P HA 0.392 nan 4.420 nan 0.000 0.281 413 P C -1.054 176.319 177.300 0.121 0.000 1.281 413 P CA -0.483 62.634 63.100 0.028 0.000 0.811 413 P CB 0.645 32.427 31.700 0.137 0.000 1.154 414 F N -2.333 117.617 119.950 -0.001 0.000 2.654 414 F HA 0.539 5.068 4.527 0.003 0.000 0.308 414 F C -0.717 175.090 175.800 0.011 0.000 1.108 414 F CA -1.604 56.398 58.000 0.004 0.000 0.957 414 F CB 0.651 39.640 39.000 -0.019 0.000 1.309 414 F HN -0.034 nan 8.300 nan 0.000 0.446 415 M N 4.186 123.941 119.600 0.257 0.000 2.243 415 M HA 0.626 5.109 4.480 0.006 0.000 0.341 415 M C -0.341 176.124 176.300 0.274 0.000 1.130 415 M CA -0.334 55.071 55.300 0.175 0.000 1.162 415 M CB 0.881 33.571 32.600 0.150 0.000 1.497 415 M HN 0.894 nan 8.290 nan 0.000 0.456 416 L N 1.645 122.992 121.223 0.206 0.000 2.710 416 L HA 0.810 5.154 4.340 0.006 0.000 0.260 416 L C -2.973 174.071 176.870 0.290 0.000 0.993 416 L CA -1.453 53.543 54.840 0.259 0.000 0.877 416 L CB 2.239 44.482 42.059 0.306 0.000 1.461 416 L HN 0.444 nan 8.230 nan 0.000 0.413 417 P HA 0.291 nan 4.420 nan 0.000 0.283 417 P C -1.865 175.535 177.300 0.167 0.000 1.271 417 P CA -0.315 62.904 63.100 0.199 0.000 0.841 417 P CB 1.387 33.142 31.700 0.091 0.000 1.122 418 Y N 1.791 121.990 120.300 -0.168 0.000 2.320 418 Y HA 0.438 4.991 4.550 0.005 0.000 0.334 418 Y C -0.207 175.523 175.900 -0.284 0.000 1.055 418 Y CA -0.446 57.326 58.100 -0.546 0.000 1.143 418 Y CB 0.955 38.860 38.460 -0.926 0.000 1.193 418 Y HN 0.182 nan 8.280 nan 0.000 0.477 419 R N 5.134 124.998 120.500 -1.061 0.000 2.500 419 R HA 0.464 4.808 4.340 0.006 0.000 0.299 419 R C -0.947 174.767 176.300 -0.977 0.000 1.038 419 R CA -0.843 54.771 56.100 -0.810 0.000 0.903 419 R CB 1.487 31.570 30.300 -0.361 0.000 1.177 419 R HN 0.891 nan 8.270 nan 0.000 0.455 420 A N 0.956 123.218 122.820 -0.929 0.000 2.566 420 A HA 0.360 4.684 4.320 0.006 0.000 0.245 420 A C 1.340 178.751 177.584 -0.289 0.000 1.056 420 A CA 1.469 53.214 52.037 -0.486 0.000 0.757 420 A CB -0.305 18.582 19.000 -0.189 0.000 0.979 420 A HN 1.032 nan 8.150 nan 0.000 0.508 421 G N 1.231 109.902 108.800 -0.216 0.000 2.194 421 G HA2 -0.171 3.793 3.960 0.006 0.000 0.236 421 G HA3 -0.171 3.793 3.960 0.006 0.000 0.236 421 G C 0.144 174.928 174.900 -0.192 0.000 0.987 421 G CA 0.369 45.365 45.100 -0.173 0.000 0.635 421 G HN 0.883 nan 8.290 nan 0.000 0.520 422 Q N -0.568 119.103 119.800 -0.214 0.000 2.297 422 Q HA 0.666 5.009 4.340 0.006 0.000 0.268 422 Q C -0.196 175.735 176.000 -0.116 0.000 1.045 422 Q CA -0.877 54.852 55.803 -0.123 0.000 0.861 422 Q CB 1.268 29.950 28.738 -0.092 0.000 1.344 422 Q HN 0.165 nan 8.270 nan 0.000 0.452 423 F N 1.034 120.967 119.950 -0.027 0.000 2.506 423 F HA 0.026 4.558 4.527 0.008 0.000 0.351 423 F C 0.663 176.538 175.800 0.126 0.000 1.136 423 F CA 0.374 58.377 58.000 0.005 0.000 1.298 423 F CB 0.275 39.231 39.000 -0.072 0.000 1.145 423 F HN 0.391 nan 8.300 nan 0.000 0.593 424 F N 3.731 123.724 119.950 0.072 0.000 2.593 424 F HA 0.397 4.928 4.527 0.008 0.000 0.336 424 F C -0.260 175.508 175.800 -0.054 0.000 1.491 424 F CA -0.620 57.413 58.000 0.055 0.000 1.114 424 F CB -0.354 38.744 39.000 0.164 0.000 1.468 424 F HN 0.182 nan 8.300 nan 0.000 0.579 425 V N 1.121 120.880 119.914 -0.258 0.000 2.398 425 V HA 0.295 4.419 4.120 0.006 0.000 0.236 425 V C 1.684 177.359 176.094 -0.698 0.000 1.054 425 V CA 1.059 62.949 62.300 -0.683 0.000 1.060 425 V CB -1.023 30.273 31.823 -0.878 0.000 0.707 425 V HN 0.703 nan 8.190 nan 0.000 0.480 426 G N 0.459 108.768 108.800 -0.819 0.000 2.256 426 G HA2 0.184 4.147 3.960 0.006 0.000 0.272 426 G HA3 0.184 4.147 3.960 0.006 0.000 0.272 426 G C -0.096 174.031 174.900 -1.289 0.000 1.076 426 G CA 0.424 44.655 45.100 -1.448 0.000 0.882 426 G HN 1.462 nan 8.290 nan 0.000 0.497 427 A N -0.980 121.267 122.820 -0.955 0.000 2.577 427 A HA 0.863 5.187 4.320 0.006 0.000 0.297 427 A C -0.278 177.151 177.584 -0.258 0.000 1.060 427 A CA 0.247 51.928 52.037 -0.593 0.000 0.697 427 A CB 1.361 19.814 19.000 -0.912 0.000 1.281 427 A HN 0.966 nan 8.150 nan 0.000 0.402 428 T N 2.314 116.791 114.554 -0.129 0.000 2.779 428 T HA 0.628 4.982 4.350 0.006 0.000 0.280 428 T C -0.677 173.983 174.700 -0.065 0.000 0.987 428 T CA -0.118 61.972 62.100 -0.016 0.000 0.966 428 T CB 0.541 69.450 68.868 0.068 0.000 0.933 428 T HN 0.425 nan 8.240 nan 0.000 0.442 429 L N 2.168 123.397 121.223 0.010 0.000 2.301 429 L HA 0.911 5.255 4.340 0.006 0.000 0.264 429 L C -0.210 176.740 176.870 0.133 0.000 1.016 429 L CA -0.885 54.015 54.840 0.100 0.000 0.821 429 L CB 1.690 43.855 42.059 0.177 0.000 1.346 429 L HN 0.764 nan 8.230 nan 0.000 0.429 430 A N 2.240 125.156 122.820 0.160 0.000 2.375 430 A HA 0.880 5.204 4.320 0.006 0.000 0.295 430 A C -0.965 176.666 177.584 0.078 0.000 1.066 430 A CA -0.421 51.718 52.037 0.169 0.000 0.722 430 A CB 1.077 20.220 19.000 0.239 0.000 1.206 430 A HN 0.626 nan 8.150 nan 0.000 0.435 431 M N 2.169 121.781 119.600 0.021 0.000 2.535 431 M HA 0.715 5.198 4.480 0.006 0.000 0.314 431 M C -1.080 175.135 176.300 -0.142 0.000 1.153 431 M CA -0.580 54.590 55.300 -0.217 0.000 0.924 431 M CB 2.141 34.684 32.600 -0.094 0.000 1.710 431 M HN 0.823 nan 8.290 nan 0.000 0.451 432 Y N -0.682 119.632 120.300 0.024 0.000 2.689 432 Y HA 0.699 5.226 4.550 -0.039 0.000 0.333 432 Y C -3.185 172.702 175.900 -0.021 0.000 1.208 432 Y CA -3.139 54.953 58.100 -0.014 0.000 1.055 432 Y CB -0.483 37.982 38.460 0.008 0.000 1.304 432 Y HN 0.386 nan 8.280 nan 0.000 0.455 433 P HA 0.182 nan 4.420 nan 0.000 0.267 433 P C 0.334 177.720 177.300 0.144 0.000 1.200 433 P CA 0.648 63.815 63.100 0.112 0.000 0.772 433 P CB 0.625 32.370 31.700 0.074 0.000 0.855 434 G N 2.859 111.652 108.800 -0.012 0.000 2.651 434 G HA2 0.202 4.165 3.960 0.006 0.000 0.260 434 G HA3 0.202 4.165 3.960 0.006 0.000 0.260 434 G C -1.583 173.369 174.900 0.087 0.000 1.216 434 G CA -0.845 44.107 45.100 -0.248 0.000 0.913 434 G HN 0.368 nan 8.290 nan 0.000 0.535 435 P HA 0.016 nan 4.420 nan 0.000 0.251 435 P C 0.549 177.956 177.300 0.178 0.000 1.223 435 P CA 0.539 63.734 63.100 0.159 0.000 0.796 435 P CB 0.379 32.149 31.700 0.116 0.000 1.068 436 N N -0.252 118.688 118.700 0.399 0.000 2.336 436 N HA 0.089 4.833 4.740 0.006 0.000 0.189 436 N C 1.142 176.423 175.510 -0.381 0.000 1.113 436 N CA -0.305 52.806 53.050 0.101 0.000 0.858 436 N CB 0.096 38.711 38.487 0.212 0.000 0.970 436 N HN 0.099 nan 8.380 nan 0.000 0.471 437 G N 1.679 110.135 108.800 -0.574 0.000 2.554 437 G HA2 0.043 4.007 3.960 0.006 0.000 0.238 437 G HA3 0.043 4.007 3.960 0.006 0.000 0.238 437 G C -1.574 172.809 174.900 -0.861 0.000 1.259 437 G CA -0.848 43.482 45.100 -1.282 0.000 0.843 437 G HN -0.049 nan 8.290 nan 0.000 0.582 438 P HA -0.129 nan 4.420 nan 0.000 0.217 438 P C 1.716 178.824 177.300 -0.321 0.000 1.151 438 P CA 2.328 65.109 63.100 -0.532 0.000 0.849 438 P CB 0.241 31.654 31.700 -0.478 0.000 0.787 439 T N -6.048 108.327 114.554 -0.298 0.000 3.200 439 T HA 0.301 4.655 4.350 0.006 0.000 0.284 439 T C 0.468 175.073 174.700 -0.159 0.000 1.009 439 T CA -0.560 61.428 62.100 -0.186 0.000 0.907 439 T CB -0.599 68.182 68.868 -0.146 0.000 1.120 439 T HN 0.003 nan 8.240 nan 0.000 0.534 440 K N 0.620 120.904 120.400 -0.194 0.000 3.130 440 K HA -0.215 4.108 4.320 0.006 0.000 0.282 440 K C 0.705 177.259 176.600 -0.076 0.000 1.145 440 K CA 1.196 57.413 56.287 -0.117 0.000 0.831 440 K CB -1.147 31.309 32.500 -0.073 0.000 1.226 440 K HN 0.475 nan 8.250 nan 0.000 0.478 441 K N 0.229 120.564 120.400 -0.108 0.000 2.464 441 K HA 0.058 4.382 4.320 0.006 0.000 0.206 441 K C -0.233 176.312 176.600 -0.091 0.000 1.186 441 K CA -0.173 56.062 56.287 -0.086 0.000 0.990 441 K CB 0.546 32.985 32.500 -0.101 0.000 1.003 441 K HN 0.081 nan 8.250 nan 0.000 0.562 442 E N 1.107 121.250 120.200 -0.095 0.000 2.384 442 E HA 0.053 4.406 4.350 0.006 0.000 0.266 442 E C 0.430 177.124 176.600 0.156 0.000 1.012 442 E CA 0.605 57.003 56.400 -0.003 0.000 0.901 442 E CB 0.544 30.263 29.700 0.033 0.000 0.967 442 E HN 0.105 nan 8.360 nan 0.000 0.435 443 M N 1.341 121.023 119.600 0.136 0.000 2.306 443 M HA 0.275 4.759 4.480 0.006 0.000 0.292 443 M C 0.429 176.876 176.300 0.245 0.000 1.018 443 M CA -0.063 55.353 55.300 0.194 0.000 1.007 443 M CB 1.129 33.770 32.600 0.068 0.000 1.510 443 M HN 0.490 nan 8.290 nan 0.000 0.537 444 G N 0.645 109.584 108.800 0.233 0.000 2.563 444 G HA2 0.781 4.744 3.960 0.006 0.000 0.302 444 G HA3 0.781 4.744 3.960 0.006 0.000 0.302 444 G C -1.410 173.470 174.900 -0.033 0.000 1.301 444 G CA -0.269 44.918 45.100 0.144 0.000 0.965 444 G HN 0.200 nan 8.290 nan 0.000 0.480 445 Q N -0.040 119.642 119.800 -0.197 0.000 2.377 445 Q HA 0.427 4.770 4.340 0.006 0.000 0.279 445 Q C -1.332 174.482 176.000 -0.310 0.000 1.049 445 Q CA -0.867 54.676 55.803 -0.433 0.000 0.825 445 Q CB 2.987 31.271 28.738 -0.757 0.000 1.401 445 Q HN 0.360 nan 8.270 nan 0.000 0.404 446 I N 2.102 122.490 120.570 -0.304 0.000 2.382 446 I HA 0.451 4.624 4.170 0.006 0.000 0.285 446 I C -0.567 175.382 176.117 -0.281 0.000 1.007 446 I CA -0.241 60.913 61.300 -0.244 0.000 1.142 446 I CB 1.276 39.146 38.000 -0.216 0.000 1.289 446 I HN 0.568 nan 8.210 nan 0.000 0.453 447 R N 4.621 124.880 120.500 -0.402 0.000 2.513 447 R HA 0.781 5.124 4.340 0.006 0.000 0.301 447 R C -0.914 174.819 176.300 -0.946 0.000 0.968 447 R CA -0.509 55.161 56.100 -0.715 0.000 0.872 447 R CB 1.949 31.829 30.300 -0.699 0.000 1.177 447 R HN 0.702 nan 8.270 nan 0.000 0.444 448 A N 4.505 126.511 122.820 -1.357 0.000 2.328 448 A HA 0.578 4.901 4.320 0.006 0.000 0.284 448 A C -1.184 175.798 177.584 -1.004 0.000 1.160 448 A CA -0.172 51.154 52.037 -1.186 0.000 0.818 448 A CB 0.167 18.229 19.000 -1.564 0.000 1.087 448 A HN 0.586 nan 8.150 nan 0.000 0.504 449 F N 0.620 120.300 119.950 -0.451 0.000 2.577 449 F HA 0.371 4.899 4.527 0.003 0.000 0.318 449 F C 0.191 175.852 175.800 -0.232 0.000 1.065 449 F CA -0.687 57.139 58.000 -0.292 0.000 0.929 449 F CB 1.975 40.841 39.000 -0.223 0.000 1.237 449 F HN 0.581 nan 8.300 nan 0.000 0.468 450 D N 2.583 123.021 120.400 0.064 0.000 2.274 450 D HA 0.234 4.878 4.640 0.006 0.000 0.239 450 D C 0.607 176.919 176.300 0.021 0.000 1.104 450 D CA -0.104 53.905 54.000 0.015 0.000 0.840 450 D CB 1.314 42.113 40.800 -0.001 0.000 1.100 450 D HN 0.562 nan 8.370 nan 0.000 0.477 451 L N 2.875 124.099 121.223 0.002 0.000 2.376 451 L HA -0.080 4.264 4.340 0.006 0.000 0.219 451 L C 2.308 179.138 176.870 -0.066 0.000 1.133 451 L CA 0.983 55.790 54.840 -0.055 0.000 0.816 451 L CB -0.295 41.710 42.059 -0.090 0.000 0.933 451 L HN 0.501 nan 8.230 nan 0.000 0.449 452 T N -5.428 109.102 114.554 -0.040 0.000 3.067 452 T HA -0.048 4.306 4.350 0.006 0.000 0.257 452 T C 1.615 176.286 174.700 -0.047 0.000 1.105 452 T CA 1.025 63.097 62.100 -0.047 0.000 1.104 452 T CB -0.106 68.744 68.868 -0.030 0.000 0.925 452 T HN 0.385 nan 8.240 nan 0.000 0.498 453 T N -3.173 111.358 114.554 -0.037 0.000 2.955 453 T HA 0.494 4.848 4.350 0.006 0.000 0.251 453 T C 1.887 176.563 174.700 -0.041 0.000 1.002 453 T CA 0.689 62.768 62.100 -0.035 0.000 0.970 453 T CB -0.120 68.736 68.868 -0.019 0.000 1.091 453 T HN 0.887 nan 8.240 nan 0.000 0.495 454 G N 2.011 110.788 108.800 -0.039 0.000 2.148 454 G HA2 -0.202 3.761 3.960 0.006 0.000 0.254 454 G HA3 -0.202 3.761 3.960 0.006 0.000 0.254 454 G C -0.085 174.856 174.900 0.069 0.000 0.981 454 G CA 0.061 45.125 45.100 -0.060 0.000 0.670 454 G HN 0.606 nan 8.290 nan 0.000 0.528 455 K N 0.469 120.923 120.400 0.090 0.000 2.118 455 K HA 0.752 5.076 4.320 0.006 0.000 0.267 455 K C 0.610 177.265 176.600 0.092 0.000 0.991 455 K CA 0.179 56.523 56.287 0.095 0.000 0.916 455 K CB 1.569 34.081 32.500 0.021 0.000 1.041 455 K HN 0.615 nan 8.250 nan 0.000 0.455 456 A N 2.242 125.037 122.820 -0.041 0.000 2.316 456 A HA 0.253 4.577 4.320 0.006 0.000 0.284 456 A C 0.683 178.101 177.584 -0.276 0.000 1.115 456 A CA -0.168 51.636 52.037 -0.388 0.000 0.812 456 A CB 0.442 19.132 19.000 -0.517 0.000 1.064 456 A HN 0.717 nan 8.150 nan 0.000 0.489 457 K N 0.729 120.899 120.400 -0.383 0.000 2.287 457 K HA 0.161 4.484 4.320 0.006 0.000 0.199 457 K C -0.030 176.552 176.600 -0.031 0.000 1.061 457 K CA 0.693 56.867 56.287 -0.189 0.000 0.976 457 K CB 0.392 32.779 32.500 -0.188 0.000 0.898 457 K HN 0.884 nan 8.250 nan 0.000 0.492 458 W N -0.298 120.894 121.300 -0.180 0.000 2.989 458 W HA 0.446 5.108 4.660 0.002 0.000 0.344 458 W C -1.618 174.771 176.519 -0.217 0.000 1.233 458 W CA -0.783 56.474 57.345 -0.147 0.000 1.187 458 W CB 0.737 30.147 29.460 -0.083 0.000 1.443 458 W HN -0.372 nan 8.180 nan 0.000 0.573 459 T N 2.031 116.758 114.554 0.288 0.000 2.952 459 T HA 0.371 4.725 4.350 0.006 0.000 0.305 459 T C -1.237 173.535 174.700 0.121 0.000 1.064 459 T CA -0.705 61.418 62.100 0.038 0.000 1.008 459 T CB 2.640 71.363 68.868 -0.242 0.000 1.078 459 T HN 0.434 nan 8.240 nan 0.000 0.459 460 K N 2.057 122.480 120.400 0.039 0.000 2.376 460 K HA 0.475 4.799 4.320 0.006 0.000 0.257 460 K C -1.445 175.089 176.600 -0.111 0.000 0.939 460 K CA -0.737 55.576 56.287 0.044 0.000 0.809 460 K CB 1.334 33.903 32.500 0.115 0.000 1.121 460 K HN 0.528 nan 8.250 nan 0.000 0.425 461 W N 2.504 123.802 121.300 -0.003 0.000 2.381 461 W HA 0.306 4.972 4.660 0.011 0.000 0.329 461 W C 0.279 176.794 176.519 -0.007 0.000 1.157 461 W CA -0.303 57.022 57.345 -0.033 0.000 1.240 461 W CB 1.117 30.538 29.460 -0.065 0.000 1.199 461 W HN 0.333 nan 8.180 nan 0.000 0.579 462 E N 1.382 121.734 120.200 0.253 0.000 2.288 462 E HA 0.114 4.467 4.350 0.006 0.000 0.268 462 E C 0.650 177.325 176.600 0.124 0.000 0.885 462 E CA -0.763 55.746 56.400 0.183 0.000 0.767 462 E CB 2.258 32.080 29.700 0.204 0.000 1.220 462 E HN 0.452 nan 8.360 nan 0.000 0.427 463 K N 1.785 122.179 120.400 -0.010 0.000 2.026 463 K HA -0.034 4.289 4.320 0.006 0.000 0.208 463 K C 0.073 176.441 176.600 -0.387 0.000 1.048 463 K CA 1.310 57.430 56.287 -0.278 0.000 0.929 463 K CB 0.131 32.330 32.500 -0.503 0.000 0.713 463 K HN 0.253 nan 8.250 nan 0.000 0.439 464 F N 0.201 120.223 119.950 0.121 0.000 2.497 464 F HA 0.445 4.984 4.527 0.020 0.000 0.331 464 F C 0.339 176.295 175.800 0.261 0.000 1.060 464 F CA -1.285 56.833 58.000 0.197 0.000 0.989 464 F CB 0.977 40.118 39.000 0.235 0.000 1.245 464 F HN -0.041 nan 8.300 nan 0.000 0.486 465 A N 0.794 123.965 122.820 0.585 0.000 2.531 465 A HA 0.430 4.753 4.320 0.006 0.000 0.236 465 A C 0.070 177.928 177.584 0.457 0.000 1.062 465 A CA -0.026 52.309 52.037 0.497 0.000 0.760 465 A CB -0.425 18.978 19.000 0.671 0.000 0.995 465 A HN 0.904 nan 8.150 nan 0.000 0.501 466 A N 2.613 125.623 122.820 0.317 0.000 3.004 466 A HA 0.273 4.596 4.320 0.006 0.000 0.286 466 A C 0.762 178.518 177.584 0.286 0.000 1.632 466 A CA -0.488 51.703 52.037 0.257 0.000 1.339 466 A CB -0.666 18.366 19.000 0.055 0.000 1.136 466 A HN 1.044 nan 8.150 nan 0.000 0.577 467 W N 2.202 123.603 121.300 0.168 0.000 2.418 467 W HA -0.099 4.564 4.660 0.005 0.000 0.292 467 W C 1.584 178.217 176.519 0.191 0.000 1.213 467 W CA 1.617 59.063 57.345 0.168 0.000 1.283 467 W CB 0.112 29.678 29.460 0.176 0.000 1.119 467 W HN 0.710 nan 8.180 nan 0.000 0.542 468 G N -0.062 108.956 108.800 0.364 0.000 2.430 468 G HA2 0.278 4.241 3.960 0.006 0.000 0.216 468 G HA3 0.278 4.241 3.960 0.006 0.000 0.216 468 G C 0.626 175.641 174.900 0.192 0.000 1.146 468 G CA 0.977 46.255 45.100 0.295 0.000 0.793 468 G HN 0.487 nan 8.290 nan 0.000 0.537 469 G N -1.515 107.391 108.800 0.176 0.000 2.352 469 G HA2 0.405 4.369 3.960 0.006 0.000 0.324 469 G HA3 0.405 4.369 3.960 0.006 0.000 0.324 469 G C -0.270 174.783 174.900 0.254 0.000 1.249 469 G CA 0.237 45.420 45.100 0.140 0.000 1.053 469 G HN 1.351 nan 8.290 nan 0.000 0.492 470 T N -2.571 112.160 114.554 0.295 0.000 2.896 470 T HA 0.764 5.117 4.350 0.006 0.000 0.297 470 T C -1.070 173.971 174.700 0.568 0.000 1.108 470 T CA -0.209 62.147 62.100 0.427 0.000 1.004 470 T CB 2.117 71.218 68.868 0.388 0.000 1.159 470 T HN 2.012 nan 8.240 nan 0.000 0.499 471 L N 1.699 123.250 121.223 0.547 0.000 2.365 471 L HA 0.792 5.136 4.340 0.006 0.000 0.273 471 L C -1.765 175.385 176.870 0.467 0.000 1.000 471 L CA -0.934 54.174 54.840 0.447 0.000 0.819 471 L CB 1.844 44.031 42.059 0.213 0.000 1.284 471 L HN 0.872 nan 8.230 nan 0.000 0.418 472 Y N 3.198 123.677 120.300 0.298 0.000 2.364 472 Y HA 0.726 5.279 4.550 0.005 0.000 0.340 472 Y C -0.558 175.476 175.900 0.223 0.000 0.975 472 Y CA -0.399 57.852 58.100 0.252 0.000 1.089 472 Y CB 1.667 40.291 38.460 0.273 0.000 1.192 472 Y HN 0.786 nan 8.280 nan 0.000 0.454 473 T N 2.278 116.397 114.554 -0.724 0.000 2.863 473 T HA 0.268 4.621 4.350 0.006 0.000 0.285 473 T C 0.682 174.905 174.700 -0.795 0.000 1.009 473 T CA -1.062 60.736 62.100 -0.504 0.000 0.989 473 T CB 1.872 70.681 68.868 -0.100 0.000 1.004 473 T HN 0.807 nan 8.240 nan 0.000 0.455 474 K N 1.833 122.006 120.400 -0.380 0.000 2.293 474 K HA -0.117 4.207 4.320 0.006 0.000 0.204 474 K C 2.040 178.590 176.600 -0.083 0.000 1.045 474 K CA 1.620 57.825 56.287 -0.137 0.000 0.933 474 K CB -0.814 31.688 32.500 0.004 0.000 0.736 474 K HN 0.876 nan 8.250 nan 0.000 0.463 475 G N -0.404 108.325 108.800 -0.118 0.000 2.708 475 G HA2 -0.015 3.949 3.960 0.006 0.000 0.210 475 G HA3 -0.015 3.949 3.960 0.006 0.000 0.210 475 G C 0.736 175.608 174.900 -0.047 0.000 1.141 475 G CA 0.448 45.512 45.100 -0.059 0.000 0.788 475 G HN 0.495 nan 8.290 nan 0.000 0.531 476 G N -1.000 107.770 108.800 -0.050 0.000 2.203 476 G HA2 -0.195 3.768 3.960 0.006 0.000 0.231 476 G HA3 -0.195 3.768 3.960 0.006 0.000 0.231 476 G C -0.038 174.868 174.900 0.010 0.000 1.058 476 G CA 0.067 45.226 45.100 0.098 0.000 0.781 476 G HN 0.536 nan 8.290 nan 0.000 0.496 477 L N -0.498 120.645 121.223 -0.134 0.000 2.362 477 L HA 0.754 5.098 4.340 0.006 0.000 0.271 477 L C 0.093 176.845 176.870 -0.196 0.000 1.002 477 L CA -1.458 53.224 54.840 -0.265 0.000 0.818 477 L CB 2.439 44.219 42.059 -0.466 0.000 1.298 477 L HN -0.068 nan 8.230 nan 0.000 0.420 478 V N 1.030 120.803 119.914 -0.235 0.000 2.334 478 V HA 0.348 4.471 4.120 0.006 0.000 0.281 478 V C -1.032 175.067 176.094 0.008 0.000 1.016 478 V CA -0.460 61.827 62.300 -0.022 0.000 0.832 478 V CB 1.008 32.807 31.823 -0.039 0.000 0.999 478 V HN 0.563 nan 8.190 nan 0.000 0.439 479 W N 5.655 127.064 121.300 0.181 0.000 2.496 479 W HA 0.749 5.412 4.660 0.005 0.000 0.327 479 W C -0.386 176.339 176.519 0.344 0.000 1.086 479 W CA -0.615 56.840 57.345 0.183 0.000 1.222 479 W CB 1.135 30.635 29.460 0.067 0.000 1.304 479 W HN 0.683 nan 8.180 nan 0.000 0.547 480 Y N -0.120 120.408 120.300 0.380 0.000 2.604 480 Y HA 0.802 5.355 4.550 0.004 0.000 0.331 480 Y C -1.144 174.931 175.900 0.292 0.000 1.158 480 Y CA -2.268 56.018 58.100 0.310 0.000 1.056 480 Y CB 0.365 38.979 38.460 0.257 0.000 1.330 480 Y HN 0.618 nan 8.280 nan 0.000 0.457 481 A N 1.702 124.745 122.820 0.371 0.000 2.320 481 A HA 0.827 5.151 4.320 0.006 0.000 0.334 481 A C -0.160 177.652 177.584 0.381 0.000 1.147 481 A CA -0.175 52.029 52.037 0.279 0.000 0.820 481 A CB 0.852 20.026 19.000 0.291 0.000 1.218 481 A HN 1.201 nan 8.150 nan 0.000 0.482 482 T N -0.528 114.215 114.554 0.316 0.000 2.940 482 T HA 0.524 4.878 4.350 0.006 0.000 0.288 482 T C 0.889 175.760 174.700 0.286 0.000 1.033 482 T CA -0.711 61.608 62.100 0.366 0.000 1.033 482 T CB 0.776 69.870 68.868 0.376 0.000 1.079 482 T HN 0.376 nan 8.240 nan 0.000 0.496 483 L N 0.793 122.178 121.223 0.269 0.000 2.265 483 L HA -0.015 4.328 4.340 0.006 0.000 0.215 483 L C 1.963 178.844 176.870 0.018 0.000 1.117 483 L CA 1.244 56.146 54.840 0.104 0.000 0.782 483 L CB -0.444 41.617 42.059 0.004 0.000 0.914 483 L HN 0.797 nan 8.230 nan 0.000 0.441 484 D N -0.823 119.660 120.400 0.138 0.000 2.340 484 D HA 0.016 4.660 4.640 0.006 0.000 0.220 484 D C 1.395 177.764 176.300 0.115 0.000 1.039 484 D CA 0.903 54.989 54.000 0.143 0.000 0.866 484 D CB 0.393 41.378 40.800 0.308 0.000 0.913 484 D HN 0.277 nan 8.370 nan 0.000 0.523 485 G N -0.541 108.310 108.800 0.085 0.000 2.175 485 G HA2 -0.204 3.760 3.960 0.006 0.000 0.182 485 G HA3 -0.204 3.760 3.960 0.006 0.000 0.182 485 G C -0.477 174.289 174.900 -0.224 0.000 1.003 485 G CA -0.517 44.533 45.100 -0.082 0.000 0.666 485 G HN 0.302 nan 8.290 nan 0.000 0.506 486 Y N -0.836 119.476 120.300 0.020 0.000 2.420 486 Y HA 0.746 5.298 4.550 0.004 0.000 0.334 486 Y C 0.240 176.122 175.900 -0.030 0.000 1.094 486 Y CA -1.235 56.837 58.100 -0.046 0.000 1.126 486 Y CB 1.836 40.235 38.460 -0.102 0.000 1.217 486 Y HN 0.183 nan 8.280 nan 0.000 0.462 487 L N 3.888 125.174 121.223 0.106 0.000 2.296 487 L HA 0.562 4.905 4.340 0.006 0.000 0.286 487 L C -1.153 175.715 176.870 -0.003 0.000 1.023 487 L CA -0.689 54.207 54.840 0.093 0.000 0.812 487 L CB 0.713 42.855 42.059 0.137 0.000 1.223 487 L HN 0.603 nan 8.230 nan 0.000 0.421 488 K N 3.803 124.127 120.400 -0.125 0.000 2.443 488 K HA 0.919 5.243 4.320 0.006 0.000 0.251 488 K C -1.437 175.105 176.600 -0.096 0.000 0.972 488 K CA -0.975 55.197 56.287 -0.191 0.000 0.833 488 K CB 2.171 34.357 32.500 -0.522 0.000 1.317 488 K HN 0.651 nan 8.250 nan 0.000 0.441 489 A N 2.476 125.231 122.820 -0.108 0.000 2.343 489 A HA 0.659 4.983 4.320 0.006 0.000 0.308 489 A C -1.083 176.334 177.584 -0.279 0.000 1.092 489 A CA -0.726 51.028 52.037 -0.473 0.000 0.751 489 A CB 0.538 18.943 19.000 -0.992 0.000 1.203 489 A HN 0.580 nan 8.150 nan 0.000 0.452 490 L N 1.293 122.374 121.223 -0.236 0.000 2.333 490 L HA 0.448 4.791 4.340 0.006 0.000 0.269 490 L C -0.299 176.427 176.870 -0.239 0.000 1.010 490 L CA -1.107 53.629 54.840 -0.174 0.000 0.818 490 L CB 1.714 43.735 42.059 -0.063 0.000 1.306 490 L HN 0.687 nan 8.230 nan 0.000 0.430 491 D N 1.829 122.078 120.400 -0.252 0.000 2.371 491 D HA -0.054 4.590 4.640 0.006 0.000 0.256 491 D C 0.921 177.080 176.300 -0.235 0.000 1.193 491 D CA -0.044 53.825 54.000 -0.220 0.000 0.881 491 D CB 0.896 41.566 40.800 -0.218 0.000 1.143 491 D HN 0.598 nan 8.370 nan 0.000 0.473 492 N N 4.485 123.131 118.700 -0.090 0.000 2.520 492 N HA -0.199 4.545 4.740 0.006 0.000 0.185 492 N C 1.188 176.832 175.510 0.222 0.000 1.068 492 N CA 0.680 53.759 53.050 0.047 0.000 0.911 492 N CB -0.034 38.499 38.487 0.076 0.000 0.961 492 N HN 0.475 nan 8.380 nan 0.000 0.446 493 K N 0.861 121.272 120.400 0.018 0.000 2.076 493 K HA -0.100 4.224 4.320 0.006 0.000 0.204 493 K C 0.187 176.699 176.600 -0.146 0.000 1.051 493 K CA 1.733 58.041 56.287 0.034 0.000 0.949 493 K CB 0.117 32.608 32.500 -0.016 0.000 0.726 493 K HN 0.282 nan 8.250 nan 0.000 0.443 494 D N -2.604 117.487 120.400 -0.516 0.000 2.525 494 D HA 0.123 4.767 4.640 0.006 0.000 0.231 494 D C 0.797 176.307 176.300 -1.317 0.000 1.216 494 D CA 0.502 54.051 54.000 -0.751 0.000 0.813 494 D CB 0.528 41.126 40.800 -0.336 0.000 1.108 494 D HN 0.334 nan 8.370 nan 0.000 0.524 495 G N 1.298 109.073 108.800 -1.708 0.000 2.148 495 G HA2 -0.350 3.613 3.960 0.006 0.000 0.254 495 G HA3 -0.350 3.613 3.960 0.006 0.000 0.254 495 G C 0.147 174.663 174.900 -0.640 0.000 0.981 495 G CA 0.316 44.431 45.100 -1.643 0.000 0.670 495 G HN 0.619 nan 8.290 nan 0.000 0.528 496 K N 0.911 121.035 120.400 -0.460 0.000 2.350 496 K HA 0.334 4.658 4.320 0.006 0.000 0.279 496 K C 0.517 177.001 176.600 -0.192 0.000 1.027 496 K CA -0.296 55.839 56.287 -0.254 0.000 0.969 496 K CB 0.347 32.726 32.500 -0.202 0.000 0.954 496 K HN 0.344 nan 8.250 nan 0.000 0.474 497 E N 4.742 124.867 120.200 -0.125 0.000 2.257 497 E HA 0.010 4.364 4.350 0.006 0.000 0.278 497 E C 0.108 176.655 176.600 -0.087 0.000 1.049 497 E CA -0.099 56.246 56.400 -0.092 0.000 0.876 497 E CB 0.508 30.165 29.700 -0.071 0.000 1.035 497 E HN 0.661 nan 8.360 nan 0.000 0.419 498 L N 4.474 125.648 121.223 -0.081 0.000 2.556 498 L HA 0.337 4.681 4.340 0.006 0.000 0.226 498 L C 0.053 176.971 176.870 0.081 0.000 1.089 498 L CA -0.293 54.523 54.840 -0.040 0.000 0.864 498 L CB 0.294 42.299 42.059 -0.091 0.000 1.067 498 L HN 0.601 nan 8.230 nan 0.000 0.477 499 W N 1.022 122.213 121.300 -0.182 0.000 3.153 499 W HA 0.362 5.026 4.660 0.007 0.000 0.316 499 W C -1.842 174.602 176.519 -0.125 0.000 1.255 499 W CA -0.814 56.450 57.345 -0.135 0.000 1.192 499 W CB 0.986 30.354 29.460 -0.154 0.000 1.400 499 W HN 0.010 nan 8.180 nan 0.000 0.568 500 N N 2.523 120.614 118.700 -1.014 0.000 2.961 500 N HA 0.593 5.336 4.740 0.006 0.000 0.245 500 N C -2.408 172.375 175.510 -1.212 0.000 1.404 500 N CA -0.710 51.750 53.050 -0.983 0.000 0.880 500 N CB 2.665 40.911 38.487 -0.401 0.000 1.461 500 N HN 0.432 nan 8.380 nan 0.000 0.510 501 F N 0.720 120.157 119.950 -0.856 0.000 2.596 501 F HA 0.419 4.950 4.527 0.007 0.000 0.311 501 F C -1.141 174.523 175.800 -0.227 0.000 1.116 501 F CA -0.701 57.006 58.000 -0.488 0.000 0.957 501 F CB 1.882 40.630 39.000 -0.420 0.000 1.250 501 F HN 0.577 nan 8.300 nan 0.000 0.444 502 K N 7.107 126.854 120.400 -1.089 0.000 2.250 502 K HA 0.378 4.701 4.320 0.006 0.000 0.285 502 K C -0.673 175.436 176.600 -0.818 0.000 1.097 502 K CA -0.059 55.598 56.287 -1.051 0.000 0.913 502 K CB 0.059 32.014 32.500 -0.907 0.000 1.179 502 K HN 0.723 nan 8.250 nan 0.000 0.462 503 M N 5.438 124.825 119.600 -0.356 0.000 2.163 503 M HA 0.171 4.655 4.480 0.006 0.000 0.305 503 M C -1.293 174.821 176.300 -0.311 0.000 1.166 503 M CA -1.851 53.373 55.300 -0.127 0.000 1.132 503 M CB 0.292 32.914 32.600 0.037 0.000 1.413 503 M HN 0.378 nan 8.290 nan 0.000 0.478 504 P HA -0.053 nan 4.420 nan 0.000 0.218 504 P C 0.024 177.192 177.300 -0.220 0.000 1.149 504 P CA 1.004 63.868 63.100 -0.392 0.000 0.817 504 P CB 0.291 31.627 31.700 -0.607 0.000 0.785 505 S N -2.561 113.055 115.700 -0.140 0.000 2.638 505 S HA 0.636 5.110 4.470 0.006 0.000 0.274 505 S C -0.276 174.358 174.600 0.057 0.000 1.157 505 S CA -0.644 57.559 58.200 0.004 0.000 0.826 505 S CB 0.749 64.013 63.200 0.105 0.000 1.139 505 S HN 0.054 nan 8.310 nan 0.000 0.474 506 G N 0.353 109.186 108.800 0.055 0.000 2.554 506 G HA2 0.465 4.428 3.960 0.006 0.000 0.238 506 G HA3 0.465 4.428 3.960 0.006 0.000 0.238 506 G C 0.272 175.270 174.900 0.162 0.000 1.259 506 G CA 0.077 45.230 45.100 0.089 0.000 0.843 506 G HN 0.908 nan 8.290 nan 0.000 0.582 507 G N -0.104 108.820 108.800 0.206 0.000 2.372 507 G HA2 0.491 4.454 3.960 0.006 0.000 0.323 507 G HA3 0.491 4.454 3.960 0.006 0.000 0.323 507 G C 0.613 175.688 174.900 0.291 0.000 1.152 507 G CA -0.630 44.625 45.100 0.258 0.000 0.906 507 G HN 1.007 nan 8.290 nan 0.000 0.460 508 I N 0.722 121.482 120.570 0.317 0.000 4.009 508 I HA 0.448 4.622 4.170 0.006 0.000 0.331 508 I C 0.647 177.021 176.117 0.427 0.000 1.462 508 I CA -0.597 60.951 61.300 0.413 0.000 1.117 508 I CB 0.713 38.967 38.000 0.424 0.000 1.091 508 I HN 0.398 nan 8.210 nan 0.000 0.410 509 G N 0.570 109.588 108.800 0.364 0.000 2.667 509 G HA2 0.538 4.502 3.960 0.006 0.000 0.310 509 G HA3 0.538 4.502 3.960 0.006 0.000 0.310 509 G C -1.274 173.811 174.900 0.309 0.000 1.259 509 G CA -0.541 44.773 45.100 0.356 0.000 1.019 509 G HN 0.093 nan 8.290 nan 0.000 0.496 510 S N 0.011 115.873 115.700 0.269 0.000 2.509 510 S HA 0.676 5.150 4.470 0.006 0.000 0.297 510 S C -2.416 172.366 174.600 0.304 0.000 1.118 510 S CA -1.233 57.125 58.200 0.264 0.000 1.074 510 S CB 1.455 64.706 63.200 0.085 0.000 1.038 510 S HN 0.274 nan 8.310 nan 0.000 0.498 511 P HA 0.277 nan 4.420 nan 0.000 0.270 511 P C -0.798 176.469 177.300 -0.055 0.000 1.223 511 P CA -0.219 62.956 63.100 0.124 0.000 0.785 511 P CB 0.405 32.173 31.700 0.114 0.000 0.923 512 M N -0.783 118.608 119.600 -0.348 0.000 2.691 512 M HA 0.827 5.311 4.480 0.006 0.000 0.293 512 M C -0.489 175.361 176.300 -0.749 0.000 1.259 512 M CA -0.458 54.280 55.300 -0.937 0.000 0.827 512 M CB 1.549 33.380 32.600 -1.282 0.000 1.753 512 M HN 0.128 nan 8.290 nan 0.000 0.465 513 T N 0.166 114.222 114.554 -0.831 0.000 2.883 513 T HA 0.864 5.218 4.350 0.006 0.000 0.301 513 T C -2.141 172.538 174.700 -0.036 0.000 1.158 513 T CA -0.419 61.449 62.100 -0.387 0.000 1.007 513 T CB 1.195 69.832 68.868 -0.384 0.000 1.186 513 T HN 1.107 nan 8.240 nan 0.000 0.499 514 Y N -0.557 119.706 120.300 -0.063 0.000 2.713 514 Y HA 0.735 5.288 4.550 0.005 0.000 0.335 514 Y C -0.995 174.996 175.900 0.152 0.000 1.222 514 Y CA -1.107 57.038 58.100 0.075 0.000 1.061 514 Y CB 0.652 39.155 38.460 0.072 0.000 1.314 514 Y HN 0.658 nan 8.280 nan 0.000 0.453 515 S N 1.434 117.313 115.700 0.298 0.000 2.513 515 S HA 0.820 5.293 4.470 0.006 0.000 0.299 515 S C -1.707 173.178 174.600 0.476 0.000 1.087 515 S CA -0.516 57.837 58.200 0.255 0.000 1.012 515 S CB 2.165 65.446 63.200 0.136 0.000 1.044 515 S HN 0.984 nan 8.310 nan 0.000 0.485 516 F N 2.235 122.370 119.950 0.308 0.000 2.585 516 F HA 0.524 5.055 4.527 0.006 0.000 0.319 516 F C -0.067 175.856 175.800 0.205 0.000 1.165 516 F CA -0.783 57.371 58.000 0.257 0.000 0.949 516 F CB 1.351 40.503 39.000 0.254 0.000 1.218 516 F HN 0.927 nan 8.300 nan 0.000 0.453 517 K N 4.631 124.751 120.400 -0.466 0.000 3.150 517 K HA -0.176 4.147 4.320 0.006 0.000 0.267 517 K C 0.886 177.406 176.600 -0.132 0.000 1.028 517 K CA 0.864 56.917 56.287 -0.390 0.000 0.753 517 K CB -1.598 30.569 32.500 -0.555 0.000 1.288 517 K HN 1.498 nan 8.250 nan 0.000 0.473 518 G N 0.083 108.849 108.800 -0.057 0.000 2.168 518 G HA2 -0.388 3.576 3.960 0.006 0.000 0.263 518 G HA3 -0.388 3.576 3.960 0.006 0.000 0.263 518 G C -0.023 174.858 174.900 -0.031 0.000 0.977 518 G CA 1.004 46.085 45.100 -0.031 0.000 0.659 518 G HN 0.410 nan 8.290 nan 0.000 0.533 519 K N 0.352 120.751 120.400 -0.001 0.000 2.244 519 K HA 0.527 4.850 4.320 0.006 0.000 0.260 519 K C 0.250 176.740 176.600 -0.183 0.000 0.951 519 K CA -0.729 55.490 56.287 -0.112 0.000 0.826 519 K CB 0.899 33.319 32.500 -0.134 0.000 1.108 519 K HN 0.245 nan 8.250 nan 0.000 0.433 520 Q N 3.290 122.902 119.800 -0.313 0.000 2.261 520 Q HA 0.185 4.529 4.340 0.006 0.000 0.252 520 Q C -1.525 174.095 176.000 -0.633 0.000 0.915 520 Q CA -0.317 55.285 55.803 -0.336 0.000 0.915 520 Q CB 0.629 29.218 28.738 -0.249 0.000 1.204 520 Q HN 0.528 nan 8.270 nan 0.000 0.421 521 Y N 2.560 122.515 120.300 -0.574 0.000 2.499 521 Y HA 0.478 5.031 4.550 0.005 0.000 0.347 521 Y C -0.235 175.254 175.900 -0.686 0.000 0.987 521 Y CA -1.040 56.651 58.100 -0.682 0.000 1.044 521 Y CB 1.599 39.430 38.460 -1.048 0.000 1.245 521 Y HN 0.478 nan 8.280 nan 0.000 0.461 522 I N 2.144 122.480 120.570 -0.390 0.000 2.433 522 I HA 0.544 4.718 4.170 0.006 0.000 0.292 522 I C 0.248 176.252 176.117 -0.188 0.000 1.001 522 I CA -0.473 60.542 61.300 -0.475 0.000 1.119 522 I CB 1.350 38.840 38.000 -0.850 0.000 1.289 522 I HN 0.759 nan 8.210 nan 0.000 0.438 523 G N 2.994 111.699 108.800 -0.159 0.000 2.495 523 G HA2 0.574 4.537 3.960 0.006 0.000 0.318 523 G HA3 0.574 4.537 3.960 0.006 0.000 0.318 523 G C -1.297 173.605 174.900 0.003 0.000 1.257 523 G CA -0.453 44.614 45.100 -0.055 0.000 0.962 523 G HN 0.510 nan 8.290 nan 0.000 0.483 524 S N 1.408 117.171 115.700 0.105 0.000 2.572 524 S HA 0.575 5.049 4.470 0.006 0.000 0.274 524 S C -0.106 174.611 174.600 0.196 0.000 1.150 524 S CA -0.800 57.505 58.200 0.176 0.000 0.944 524 S CB 1.059 64.413 63.200 0.258 0.000 1.071 524 S HN 0.468 nan 8.310 nan 0.000 0.479 525 M N 3.813 123.521 119.600 0.181 0.000 2.202 525 M HA 0.371 4.854 4.480 0.006 0.000 0.316 525 M C -0.465 175.960 176.300 0.208 0.000 1.138 525 M CA -0.136 55.239 55.300 0.124 0.000 1.151 525 M CB 0.109 32.795 32.600 0.144 0.000 1.422 525 M HN 0.784 nan 8.290 nan 0.000 0.471 526 Y N -2.290 118.062 120.300 0.087 0.000 2.534 526 Y HA 0.755 5.308 4.550 0.005 0.000 0.345 526 Y C -0.288 175.599 175.900 -0.022 0.000 1.031 526 Y CA -1.577 56.558 58.100 0.060 0.000 1.022 526 Y CB 1.499 39.987 38.460 0.047 0.000 1.292 526 Y HN 0.905 nan 8.280 nan 0.000 0.459 527 G N 1.487 110.407 108.800 0.200 0.000 2.486 527 G HA2 0.218 4.182 3.960 0.006 0.000 0.220 527 G HA3 0.218 4.182 3.960 0.006 0.000 0.220 527 G C -1.776 173.208 174.900 0.141 0.000 1.313 527 G CA -0.532 44.620 45.100 0.086 0.000 1.187 527 G HN 1.005 nan 8.290 nan 0.000 0.599 528 V N 2.153 122.123 119.914 0.093 0.000 2.924 528 V HA 0.871 4.994 4.120 0.006 0.000 0.305 528 V C 1.154 177.264 176.094 0.027 0.000 1.073 528 V CA 2.241 64.570 62.300 0.048 0.000 1.098 528 V CB 1.406 33.219 31.823 -0.017 0.000 1.000 528 V HN 2.334 nan 8.190 nan 0.000 0.484 529 G N 2.732 111.527 108.800 -0.007 0.000 2.512 529 G HA2 0.588 4.551 3.960 0.006 0.000 0.181 529 G HA3 0.588 4.551 3.960 0.006 0.000 0.181 529 G C 0.203 175.094 174.900 -0.015 0.000 1.173 529 G CA 0.209 45.300 45.100 -0.015 0.000 0.988 529 G HN 2.106 nan 8.290 nan 0.000 0.485 530 G N -1.665 107.189 108.800 0.090 0.000 2.697 530 G HA2 -0.081 3.883 3.960 0.006 0.000 0.240 530 G HA3 -0.081 3.883 3.960 0.006 0.000 0.240 530 G C 0.861 175.843 174.900 0.136 0.000 1.346 530 G CA 0.834 46.040 45.100 0.178 0.000 0.887 530 G HN 1.742 nan 8.290 nan 0.000 0.569 531 W N 1.449 122.732 121.300 -0.029 0.000 2.338 531 W HA 0.000 4.676 4.660 0.026 0.000 0.304 531 W C -0.064 176.227 176.519 -0.380 0.000 1.212 531 W CA 2.739 60.032 57.345 -0.087 0.000 1.264 531 W CB -1.653 27.873 29.460 0.109 0.000 1.142 531 W HN 0.462 nan 8.180 nan 0.000 0.512 532 P HA -0.094 nan 4.420 nan 0.000 0.218 532 P C 1.454 178.302 177.300 -0.753 0.000 1.148 532 P CA 2.747 65.051 63.100 -1.326 0.000 0.822 532 P CB -0.549 30.090 31.700 -1.769 0.000 0.784 533 G N -0.760 107.799 108.800 -0.401 0.000 3.189 533 G HA2 0.043 4.007 3.960 0.006 0.000 0.225 533 G HA3 0.043 4.007 3.960 0.006 0.000 0.225 533 G C 1.325 176.186 174.900 -0.065 0.000 1.159 533 G CA 0.188 45.163 45.100 -0.208 0.000 0.763 533 G HN 0.242 nan 8.290 nan 0.000 0.549 534 V N -0.678 119.271 119.914 0.059 0.000 2.324 534 V HA -0.093 4.030 4.120 0.006 0.000 0.250 534 V C 2.639 178.857 176.094 0.206 0.000 1.060 534 V CA 2.175 64.615 62.300 0.233 0.000 1.042 534 V CB -1.204 30.835 31.823 0.360 0.000 0.650 534 V HN 0.194 nan 8.190 nan 0.000 0.450 535 G N 0.451 109.335 108.800 0.141 0.000 2.421 535 G HA2 -0.241 3.723 3.960 0.006 0.000 0.216 535 G HA3 -0.241 3.723 3.960 0.006 0.000 0.216 535 G C 1.529 176.472 174.900 0.073 0.000 1.171 535 G CA 1.292 46.467 45.100 0.126 0.000 0.775 535 G HN 0.546 nan 8.290 nan 0.000 0.543 536 L N 0.754 121.989 121.223 0.020 0.000 2.027 536 L HA 0.069 4.412 4.340 0.006 0.000 0.206 536 L C 2.864 179.689 176.870 -0.075 0.000 1.074 536 L CA 1.425 56.253 54.840 -0.019 0.000 0.745 536 L CB -0.586 41.449 42.059 -0.040 0.000 0.898 536 L HN 0.070 nan 8.230 nan 0.000 0.433 537 V N -0.680 119.134 119.914 -0.167 0.000 2.358 537 V HA -0.234 3.890 4.120 0.006 0.000 0.246 537 V C 1.726 177.517 176.094 -0.507 0.000 1.047 537 V CA 1.994 64.056 62.300 -0.398 0.000 1.035 537 V CB -0.647 30.793 31.823 -0.639 0.000 0.658 537 V HN 0.402 nan 8.190 nan 0.000 0.452 538 F N -0.768 119.192 119.950 0.017 0.000 2.647 538 F HA 0.334 4.863 4.527 0.003 0.000 0.300 538 F C 0.608 176.414 175.800 0.010 0.000 1.106 538 F CA -0.403 57.603 58.000 0.010 0.000 1.313 538 F CB -0.301 38.699 39.000 -0.000 0.000 1.007 538 F HN 0.104 nan 8.300 nan 0.000 0.536 539 D N 1.678 122.145 120.400 0.111 0.000 2.697 539 D HA -0.186 4.457 4.640 0.006 0.000 0.238 539 D C -0.601 175.756 176.300 0.095 0.000 1.152 539 D CA 0.535 54.585 54.000 0.083 0.000 0.666 539 D CB -0.810 40.029 40.800 0.066 0.000 1.037 539 D HN 0.233 nan 8.370 nan 0.000 0.423 540 L N -0.179 121.110 121.223 0.111 0.000 2.325 540 L HA 0.482 4.826 4.340 0.006 0.000 0.279 540 L C 1.850 178.767 176.870 0.078 0.000 1.054 540 L CA -0.156 54.740 54.840 0.093 0.000 0.804 540 L CB 1.401 43.527 42.059 0.112 0.000 1.200 540 L HN 0.181 nan 8.230 nan 0.000 0.436 541 T N -3.997 110.593 114.554 0.061 0.000 2.955 541 T HA 0.034 4.388 4.350 0.006 0.000 0.251 541 T C 0.488 175.221 174.700 0.055 0.000 1.002 541 T CA -0.332 61.802 62.100 0.057 0.000 0.970 541 T CB 0.169 69.064 68.868 0.043 0.000 1.091 541 T HN 0.453 nan 8.240 nan 0.000 0.495 542 D N 3.561 123.990 120.400 0.047 0.000 2.434 542 D HA 0.136 4.780 4.640 0.006 0.000 0.252 542 D C -1.601 174.735 176.300 0.061 0.000 1.185 542 D CA -1.770 52.255 54.000 0.042 0.000 0.886 542 D CB 1.702 42.517 40.800 0.024 0.000 1.148 542 D HN 0.030 nan 8.370 nan 0.000 0.483 543 P HA -0.148 nan 4.420 nan 0.000 0.217 543 P C 1.135 178.491 177.300 0.094 0.000 1.148 543 P CA 1.244 64.395 63.100 0.084 0.000 0.828 543 P CB 0.161 31.909 31.700 0.079 0.000 0.783 544 S N -2.212 113.533 115.700 0.075 0.000 2.558 544 S HA 0.328 4.801 4.470 0.006 0.000 0.217 544 S C 1.077 175.719 174.600 0.070 0.000 0.975 544 S CA -0.114 58.132 58.200 0.077 0.000 0.912 544 S CB -0.755 62.476 63.200 0.052 0.000 0.776 544 S HN 0.090 nan 8.310 nan 0.000 0.526 545 A N 1.102 123.959 122.820 0.062 0.000 2.346 545 A HA 0.570 4.893 4.320 0.006 0.000 0.255 545 A C 1.452 179.097 177.584 0.102 0.000 1.113 545 A CA 0.032 52.096 52.037 0.044 0.000 0.798 545 A CB -1.127 17.893 19.000 0.034 0.000 1.073 545 A HN 1.544 nan 8.150 nan 0.000 0.502 546 G N -1.181 107.665 108.800 0.076 0.000 2.273 546 G HA2 -0.080 3.884 3.960 0.006 0.000 0.280 546 G HA3 -0.080 3.884 3.960 0.006 0.000 0.280 546 G C 0.380 175.489 174.900 0.348 0.000 1.047 546 G CA 0.242 45.450 45.100 0.180 0.000 0.869 546 G HN 1.770 nan 8.290 nan 0.000 0.502 547 L N -3.217 118.117 121.223 0.185 0.000 3.843 547 L HA -0.248 4.095 4.340 0.006 0.000 0.411 547 L C 2.017 179.146 176.870 0.431 0.000 1.205 547 L CA 1.062 56.066 54.840 0.272 0.000 0.945 547 L CB -1.556 40.723 42.059 0.367 0.000 1.929 547 L HN 2.064 nan 8.230 nan 0.000 0.934 548 G N -1.976 106.988 108.800 0.273 0.000 2.199 548 G HA2 -0.265 3.699 3.960 0.006 0.000 0.254 548 G HA3 -0.265 3.699 3.960 0.006 0.000 0.254 548 G C 0.914 175.930 174.900 0.193 0.000 0.982 548 G CA 0.653 45.885 45.100 0.220 0.000 0.632 548 G HN 0.968 nan 8.290 nan 0.000 0.529 549 A N 0.014 122.979 122.820 0.242 0.000 1.968 549 A HA 0.402 4.726 4.320 0.006 0.000 0.217 549 A C 2.555 180.284 177.584 0.242 0.000 1.169 549 A CA 2.291 54.421 52.037 0.155 0.000 0.638 549 A CB -0.378 18.617 19.000 -0.009 0.000 0.812 549 A HN 1.075 nan 8.150 nan 0.000 0.446 550 V N 0.211 120.252 119.914 0.213 0.000 2.252 550 V HA -0.275 3.848 4.120 0.006 0.000 0.249 550 V C 2.831 179.027 176.094 0.171 0.000 1.056 550 V CA 2.193 64.606 62.300 0.187 0.000 1.022 550 V CB -1.553 30.357 31.823 0.146 0.000 0.641 550 V HN 0.590 nan 8.190 nan 0.000 0.445 551 G N -0.606 108.279 108.800 0.141 0.000 2.446 551 G HA2 -0.226 3.738 3.960 0.006 0.000 0.217 551 G HA3 -0.226 3.738 3.960 0.006 0.000 0.217 551 G C 1.783 176.741 174.900 0.097 0.000 1.168 551 G CA 1.149 46.319 45.100 0.117 0.000 0.771 551 G HN 0.648 nan 8.290 nan 0.000 0.551 552 A N 0.163 123.024 122.820 0.070 0.000 1.908 552 A HA 0.132 4.456 4.320 0.006 0.000 0.218 552 A C 1.691 179.130 177.584 -0.242 0.000 1.181 552 A CA 1.065 53.045 52.037 -0.095 0.000 0.627 552 A CB -0.401 18.491 19.000 -0.180 0.000 0.818 552 A HN 0.338 nan 8.150 nan 0.000 0.445 553 F N -0.043 119.960 119.950 0.089 0.000 2.730 553 F HA 0.195 4.761 4.527 0.064 0.000 0.295 553 F C 1.863 177.731 175.800 0.114 0.000 1.143 553 F CA -0.014 58.055 58.000 0.114 0.000 1.367 553 F CB 0.088 39.091 39.000 0.005 0.000 0.970 553 F HN 0.315 nan 8.300 nan 0.000 0.514 554 R N 0.326 120.952 120.500 0.210 0.000 2.127 554 R HA -0.176 4.168 4.340 0.006 0.000 0.238 554 R C 1.109 177.523 176.300 0.191 0.000 1.134 554 R CA 1.956 58.159 56.100 0.171 0.000 0.975 554 R CB -0.568 29.806 30.300 0.125 0.000 0.865 554 R HN 0.338 nan 8.270 nan 0.000 0.447 555 E N 0.580 120.939 120.200 0.265 0.000 2.371 555 E HA -0.062 4.291 4.350 0.006 0.000 0.194 555 E C 1.724 178.583 176.600 0.432 0.000 1.012 555 E CA 0.165 56.770 56.400 0.342 0.000 0.860 555 E CB 0.052 29.996 29.700 0.407 0.000 0.811 555 E HN 0.176 nan 8.360 nan 0.000 0.502 556 L N 2.055 123.447 121.223 0.282 0.000 2.043 556 L HA -0.275 4.068 4.340 0.006 0.000 0.212 556 L C 2.263 179.173 176.870 0.067 0.000 1.075 556 L CA 1.970 56.790 54.840 -0.033 0.000 0.752 556 L CB -0.532 41.409 42.059 -0.197 0.000 0.891 556 L HN 0.156 nan 8.230 nan 0.000 0.432 557 Q N -1.693 118.154 119.800 0.078 0.000 2.508 557 Q HA -0.169 4.175 4.340 0.006 0.000 0.214 557 Q C 1.177 177.205 176.000 0.048 0.000 0.979 557 Q CA 1.741 57.573 55.803 0.048 0.000 0.911 557 Q CB -0.781 27.981 28.738 0.040 0.000 0.969 557 Q HN 0.681 nan 8.270 nan 0.000 0.504 558 N N -0.495 118.252 118.700 0.078 0.000 2.280 558 N HA 0.041 4.784 4.740 0.006 0.000 0.192 558 N C 0.737 176.143 175.510 -0.174 0.000 1.109 558 N CA 0.039 53.067 53.050 -0.037 0.000 0.855 558 N CB 0.350 38.806 38.487 -0.051 0.000 0.974 558 N HN 0.318 nan 8.380 nan 0.000 0.482 559 H N -1.578 117.531 119.070 0.066 0.000 3.017 559 H HA 0.214 4.772 4.556 0.003 0.000 0.255 559 H C 0.200 175.533 175.328 0.009 0.000 0.990 559 H CA 0.621 56.715 56.048 0.076 0.000 1.205 559 H CB 1.427 31.288 29.762 0.165 0.000 1.460 559 H HN -0.013 nan 8.280 nan 0.000 0.478 560 T N 0.327 114.929 114.554 0.080 0.000 2.802 560 T HA 0.309 4.663 4.350 0.006 0.000 0.311 560 T C -1.480 173.215 174.700 -0.008 0.000 1.405 560 T CA -0.752 61.355 62.100 0.013 0.000 1.016 560 T CB 2.398 71.264 68.868 -0.004 0.000 1.352 560 T HN -0.032 nan 8.240 nan 0.000 0.498 561 Q N 1.284 121.073 119.800 -0.018 0.000 2.572 561 Q HA 0.541 4.885 4.340 0.006 0.000 0.284 561 Q C -0.128 175.863 176.000 -0.014 0.000 1.091 561 Q CA -0.932 54.860 55.803 -0.019 0.000 0.840 561 Q CB 1.836 30.562 28.738 -0.020 0.000 1.433 561 Q HN 0.722 nan 8.270 nan 0.000 0.471 562 M N -0.011 119.579 119.600 -0.017 0.000 2.207 562 M HA 0.420 4.903 4.480 0.006 0.000 0.311 562 M C 0.581 176.890 176.300 0.016 0.000 1.127 562 M CA 0.583 55.880 55.300 -0.006 0.000 1.181 562 M CB 0.355 32.943 32.600 -0.021 0.000 1.409 562 M HN 0.804 nan 8.290 nan 0.000 0.461 563 G N -0.649 108.167 108.800 0.026 0.000 2.554 563 G HA2 0.661 4.625 3.960 0.006 0.000 0.306 563 G HA3 0.661 4.625 3.960 0.006 0.000 0.306 563 G C -1.484 173.323 174.900 -0.154 0.000 1.320 563 G CA -0.192 44.932 45.100 0.040 0.000 0.800 563 G HN 0.955 nan 8.290 nan 0.000 0.481 564 G N -1.272 107.314 108.800 -0.358 0.000 1.885 564 G HA2 0.778 4.741 3.960 0.006 0.000 0.309 564 G HA3 0.778 4.741 3.960 0.006 0.000 0.309 564 G C -0.241 174.055 174.900 -1.007 0.000 1.751 564 G CA 0.822 45.246 45.100 -1.128 0.000 0.949 564 G HN 2.036 nan 8.290 nan 0.000 0.564 565 G N -0.382 107.576 108.800 -1.403 0.000 2.341 565 G HA2 0.677 4.640 3.960 0.006 0.000 0.299 565 G HA3 0.677 4.640 3.960 0.006 0.000 0.299 565 G C -2.177 172.186 174.900 -0.895 0.000 1.274 565 G CA -0.246 44.195 45.100 -1.098 0.000 0.853 565 G HN 1.583 nan 8.290 nan 0.000 0.493 566 L N -0.337 120.729 121.223 -0.262 0.000 2.401 566 L HA 0.924 5.268 4.340 0.006 0.000 0.266 566 L C -0.581 176.360 176.870 0.119 0.000 0.991 566 L CA -0.705 54.132 54.840 -0.007 0.000 0.818 566 L CB 1.999 44.068 42.059 0.017 0.000 1.321 566 L HN 0.650 nan 8.230 nan 0.000 0.413 567 M N 4.651 124.296 119.600 0.075 0.000 2.395 567 M HA 0.577 5.060 4.480 0.006 0.000 0.307 567 M C -1.421 174.617 176.300 -0.437 0.000 1.091 567 M CA -0.810 54.382 55.300 -0.180 0.000 0.919 567 M CB 2.226 34.804 32.600 -0.038 0.000 1.662 567 M HN 0.364 nan 8.290 nan 0.000 0.440 568 V N 3.394 122.793 119.914 -0.859 0.000 2.555 568 V HA 0.621 4.745 4.120 0.006 0.000 0.302 568 V C -1.031 174.559 176.094 -0.841 0.000 1.038 568 V CA -0.506 61.333 62.300 -0.767 0.000 0.887 568 V CB 2.036 33.155 31.823 -1.173 0.000 0.991 568 V HN 0.646 nan 8.190 nan 0.000 0.434 569 F N 1.823 121.623 119.950 -0.251 0.000 2.593 569 F HA 0.866 5.397 4.527 0.007 0.000 0.320 569 F C 0.373 176.013 175.800 -0.268 0.000 1.060 569 F CA -0.381 57.484 58.000 -0.225 0.000 0.940 569 F CB 2.373 41.238 39.000 -0.225 0.000 1.268 569 F HN 0.612 nan 8.300 nan 0.000 0.475 570 S N 0.610 116.257 115.700 -0.088 0.000 2.655 570 S HA 0.695 5.169 4.470 0.006 0.000 0.266 570 S C -1.414 173.072 174.600 -0.191 0.000 1.149 570 S CA -1.086 56.943 58.200 -0.286 0.000 0.818 570 S CB 0.750 63.617 63.200 -0.555 0.000 1.130 570 S HN 0.574 nan 8.310 nan 0.000 0.476 571 L N 0.000 121.089 121.223 -0.223 0.000 2.949 571 L HA 0.000 4.344 4.340 0.006 0.000 0.249 571 L CA 0.000 54.757 54.840 -0.138 0.000 0.813 571 L CB 0.000 41.976 42.059 -0.138 0.000 0.961 571 L HN 0.000 nan 8.230 nan 0.000 0.502