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_C 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 0.057 0.000 2.045 1 D CA 0.000 54.009 54.000 0.015 0.000 0.868 1 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 2 A N 0.052 122.901 122.820 0.048 0.000 1.940 2 A HA -0.183 4.138 4.320 0.001 0.000 0.219 2 A C 1.674 179.306 177.584 0.080 0.000 1.176 2 A CA 2.666 54.741 52.037 0.063 0.000 0.631 2 A CB -0.912 18.116 19.000 0.047 0.000 0.814 2 A HN 0.625 nan 8.150 nan 0.000 0.446 3 D N -0.484 119.960 120.400 0.073 0.000 2.117 3 D HA -0.141 4.499 4.640 0.001 0.000 0.197 3 D C 1.769 178.180 176.300 0.185 0.000 0.987 3 D CA 1.330 55.399 54.000 0.115 0.000 0.829 3 D CB -0.259 40.594 40.800 0.089 0.000 0.961 3 D HN 0.263 nan 8.370 nan 0.000 0.460 4 L N 0.758 122.083 121.223 0.169 0.000 2.046 4 L HA -0.103 4.238 4.340 0.001 0.000 0.208 4 L C 1.554 178.505 176.870 0.135 0.000 1.077 4 L CA 1.874 56.831 54.840 0.196 0.000 0.747 4 L CB -0.773 41.372 42.059 0.144 0.000 0.896 4 L HN -0.065 nan 8.230 nan 0.000 0.432 5 D N -0.218 120.278 120.400 0.160 0.000 2.149 5 D HA -0.252 4.389 4.640 0.001 0.000 0.198 5 D C 2.078 178.437 176.300 0.099 0.000 0.990 5 D CA 1.410 55.507 54.000 0.161 0.000 0.839 5 D CB -0.026 40.874 40.800 0.168 0.000 0.948 5 D HN 0.441 nan 8.370 nan 0.000 0.460 6 K N 0.364 120.819 120.400 0.092 0.000 2.057 6 K HA -0.151 4.170 4.320 0.001 0.000 0.207 6 K C 2.035 178.665 176.600 0.050 0.000 1.049 6 K CA 0.976 57.305 56.287 0.071 0.000 0.931 6 K CB 0.233 32.778 32.500 0.075 0.000 0.714 6 K HN -0.061 nan 8.250 nan 0.000 0.440 7 Q N 0.329 120.155 119.800 0.043 0.000 2.079 7 Q HA -0.098 4.243 4.340 0.001 0.000 0.200 7 Q C 2.243 178.226 176.000 -0.028 0.000 0.974 7 Q CA 1.074 56.870 55.803 -0.012 0.000 0.840 7 Q CB -0.375 28.312 28.738 -0.083 0.000 0.898 7 Q HN 0.181 nan 8.270 nan 0.000 0.430 8 V N 2.403 122.294 119.914 -0.039 0.000 2.392 8 V HA -0.220 3.900 4.120 0.001 0.000 0.249 8 V C 1.421 177.497 176.094 -0.030 0.000 1.059 8 V CA 1.647 63.896 62.300 -0.084 0.000 1.051 8 V CB -0.422 31.327 31.823 -0.123 0.000 0.658 8 V HN 0.384 nan 8.190 nan 0.000 0.455 9 N N -0.556 118.151 118.700 0.010 0.000 2.314 9 N HA 0.027 4.768 4.740 0.001 0.000 0.200 9 N C 0.363 175.893 175.510 0.032 0.000 1.135 9 N CA 0.189 53.255 53.050 0.026 0.000 0.835 9 N CB 0.402 38.913 38.487 0.041 0.000 0.989 9 N HN 0.392 nan 8.380 nan 0.000 0.478 10 T N 1.058 115.629 114.554 0.030 0.000 2.744 10 T HA 0.420 4.771 4.350 0.001 0.000 0.291 10 T C 0.367 175.101 174.700 0.057 0.000 0.957 10 T CA -0.608 61.517 62.100 0.042 0.000 1.002 10 T CB 1.530 70.422 68.868 0.040 0.000 0.919 10 T HN 0.128 nan 8.240 nan 0.000 0.468 11 A N 2.486 125.343 122.820 0.061 0.000 2.540 11 A HA 0.514 4.834 4.320 0.001 0.000 0.239 11 A C 1.602 179.248 177.584 0.104 0.000 1.061 11 A CA 0.370 52.452 52.037 0.075 0.000 0.758 11 A CB -0.707 18.329 19.000 0.061 0.000 0.991 11 A HN 1.568 nan 8.150 nan 0.000 0.502 12 G N 0.479 109.359 108.800 0.133 0.000 2.179 12 G HA2 0.137 4.098 3.960 0.001 0.000 0.260 12 G HA3 0.137 4.098 3.960 0.001 0.000 0.260 12 G C 0.551 175.603 174.900 0.253 0.000 0.977 12 G CA 0.648 45.862 45.100 0.191 0.000 0.641 12 G HN 2.150 nan 8.290 nan 0.000 0.533 13 A N -0.450 122.488 122.820 0.196 0.000 2.264 13 A HA 0.719 5.040 4.320 0.001 0.000 0.304 13 A C -0.105 177.642 177.584 0.272 0.000 1.100 13 A CA -0.088 52.058 52.037 0.182 0.000 0.839 13 A CB 0.781 19.825 19.000 0.073 0.000 1.121 13 A HN 1.228 nan 8.150 nan 0.000 0.496 14 W N 3.070 124.374 121.300 0.008 0.000 2.073 14 W HA 0.318 4.979 4.660 0.001 0.000 0.295 14 W C -2.801 173.710 176.519 -0.012 0.000 1.005 14 W CA -1.402 55.955 57.345 0.019 0.000 1.451 14 W CB 2.117 31.613 29.460 0.060 0.000 1.515 14 W HN 0.635 nan 8.180 nan 0.000 0.341 15 P HA 0.153 nan 4.420 nan 0.000 0.257 15 P C 0.204 177.409 177.300 -0.159 0.000 1.241 15 P CA 0.682 63.690 63.100 -0.154 0.000 0.816 15 P CB 1.438 33.022 31.700 -0.193 0.000 1.150 16 I N -0.446 119.912 120.570 -0.353 0.000 2.466 16 I HA 0.333 4.504 4.170 0.001 0.000 0.289 16 I C 1.444 177.431 176.117 -0.216 0.000 1.026 16 I CA -0.996 60.152 61.300 -0.254 0.000 1.078 16 I CB 2.124 39.939 38.000 -0.308 0.000 1.249 16 I HN -0.278 nan 8.210 nan 0.000 0.429 17 A N 3.778 126.687 122.820 0.149 0.000 1.958 17 A HA -0.208 4.113 4.320 0.001 0.000 0.221 17 A C 1.937 179.734 177.584 0.354 0.000 1.178 17 A CA 2.670 54.945 52.037 0.395 0.000 0.642 17 A CB -0.851 18.474 19.000 0.542 0.000 0.816 17 A HN 0.816 nan 8.150 nan 0.000 0.453 18 T N -4.680 110.010 114.554 0.226 0.000 3.144 18 T HA 0.434 4.785 4.350 0.001 0.000 0.249 18 T C 1.338 176.161 174.700 0.206 0.000 1.089 18 T CA 0.957 63.173 62.100 0.193 0.000 0.989 18 T CB 0.219 69.210 68.868 0.205 0.000 0.992 18 T HN 1.741 nan 8.240 nan 0.000 0.540 19 G N -0.143 108.540 108.800 -0.194 0.000 2.195 19 G HA2 0.216 4.177 3.960 0.001 0.000 0.246 19 G HA3 0.216 4.177 3.960 0.001 0.000 0.246 19 G C 0.499 175.183 174.900 -0.360 0.000 0.984 19 G CA -0.365 44.385 45.100 -0.584 0.000 0.633 19 G HN 1.656 nan 8.290 nan 0.000 0.525 20 G N -2.513 106.175 108.800 -0.185 0.000 2.337 20 G HA2 0.491 4.452 3.960 0.001 0.000 0.298 20 G HA3 0.491 4.452 3.960 0.001 0.000 0.298 20 G C 0.069 175.000 174.900 0.052 0.000 1.335 20 G CA 0.302 45.295 45.100 -0.177 0.000 0.875 20 G HN 0.421 nan 8.290 nan 0.000 0.579 21 Y N -0.313 120.128 120.300 0.235 0.000 2.224 21 Y HA -0.019 4.531 4.550 0.001 0.000 0.289 21 Y C 2.536 178.808 175.900 0.620 0.000 1.146 21 Y CA 1.865 60.258 58.100 0.489 0.000 1.182 21 Y CB -0.407 38.334 38.460 0.469 0.000 0.983 21 Y HN 0.579 nan 8.280 nan 0.000 0.524 22 Y N -0.715 119.815 120.300 0.384 0.000 2.583 22 Y HA -0.050 4.501 4.550 0.001 0.000 0.293 22 Y C 1.086 177.118 175.900 0.220 0.000 1.157 22 Y CA 0.198 58.454 58.100 0.261 0.000 1.315 22 Y CB -0.031 38.535 38.460 0.178 0.000 1.021 22 Y HN -0.093 nan 8.280 nan 0.000 0.536 23 S N 0.737 116.678 115.700 0.402 0.000 3.682 23 S HA -0.268 4.203 4.470 0.001 0.000 0.354 23 S C 0.707 175.467 174.600 0.268 0.000 1.034 23 S CA 0.586 58.968 58.200 0.303 0.000 1.084 23 S CB -1.477 61.897 63.200 0.290 0.000 0.903 23 S HN 0.629 nan 8.310 nan 0.000 0.470 24 Q N 0.014 119.996 119.800 0.302 0.000 2.403 24 Q HA 0.068 4.409 4.340 0.001 0.000 0.203 24 Q C 0.695 176.945 176.000 0.417 0.000 0.932 24 Q CA 0.068 56.074 55.803 0.338 0.000 0.945 24 Q CB 0.026 28.997 28.738 0.389 0.000 1.045 24 Q HN 0.830 nan 8.270 nan 0.000 0.511 25 H N 1.720 120.942 119.070 0.254 0.000 2.445 25 H HA -0.180 4.377 4.556 0.001 0.000 0.322 25 H C -0.792 174.792 175.328 0.425 0.000 1.053 25 H CA 0.900 57.145 56.048 0.329 0.000 1.109 25 H CB -1.200 28.736 29.762 0.290 0.000 1.546 25 H HN 0.599 nan 8.280 nan 0.000 0.397 26 N N -0.643 118.250 118.700 0.323 0.000 3.038 26 N HA 0.564 5.305 4.740 0.001 0.000 0.307 26 N C -1.221 174.451 175.510 0.270 0.000 1.441 26 N CA -0.646 52.601 53.050 0.327 0.000 0.772 26 N CB 2.671 41.429 38.487 0.451 0.000 1.651 26 N HN 0.122 nan 8.380 nan 0.000 0.593 27 S N -0.661 115.161 115.700 0.203 0.000 2.533 27 S HA 0.415 4.886 4.470 0.001 0.000 0.271 27 S C -2.497 172.159 174.600 0.093 0.000 1.143 27 S CA -1.193 57.102 58.200 0.158 0.000 0.891 27 S CB 1.903 65.188 63.200 0.143 0.000 1.105 27 S HN 0.563 nan 8.310 nan 0.000 0.468 28 P HA 0.181 nan 4.420 nan 0.000 0.245 28 P C 0.105 177.427 177.300 0.036 0.000 1.206 28 P CA 0.031 63.174 63.100 0.071 0.000 0.781 28 P CB -0.038 31.708 31.700 0.078 0.000 0.994 29 L N 0.645 121.883 121.223 0.024 0.000 2.534 29 L HA 0.142 4.483 4.340 0.001 0.000 0.271 29 L C 1.282 178.134 176.870 -0.030 0.000 1.178 29 L CA -0.068 54.769 54.840 -0.005 0.000 0.907 29 L CB 0.217 42.264 42.059 -0.021 0.000 1.164 29 L HN -0.013 nan 8.230 nan 0.000 0.482 30 A N 2.832 125.636 122.820 -0.027 0.000 2.609 30 A HA 0.081 4.402 4.320 0.001 0.000 0.286 30 A C 1.514 179.075 177.584 -0.039 0.000 1.138 30 A CA -0.347 51.671 52.037 -0.031 0.000 0.960 30 A CB 0.211 19.203 19.000 -0.013 0.000 1.208 30 A HN 0.864 nan 8.150 nan 0.000 0.541 31 Q N 0.088 119.856 119.800 -0.054 0.000 2.096 31 Q HA -0.049 4.292 4.340 0.001 0.000 0.204 31 Q C 0.069 176.026 176.000 -0.071 0.000 0.982 31 Q CA 1.189 56.952 55.803 -0.067 0.000 0.850 31 Q CB -0.077 28.604 28.738 -0.095 0.000 0.901 31 Q HN 0.678 nan 8.270 nan 0.000 0.422 32 I N 2.191 122.719 120.570 -0.070 0.000 2.342 32 I HA 0.169 4.340 4.170 0.001 0.000 0.291 32 I C -0.446 175.654 176.117 -0.029 0.000 1.010 32 I CA -0.660 60.610 61.300 -0.050 0.000 1.308 32 I CB 0.997 38.991 38.000 -0.010 0.000 1.400 32 I HN 0.311 nan 8.210 nan 0.000 0.488 33 N N 4.096 122.764 118.700 -0.054 0.000 3.204 33 N HA 0.341 5.082 4.740 0.001 0.000 0.285 33 N C -0.079 175.378 175.510 -0.089 0.000 1.536 33 N CA -1.024 51.988 53.050 -0.063 0.000 0.832 33 N CB 0.736 39.196 38.487 -0.045 0.000 1.645 33 N HN 0.207 nan 8.380 nan 0.000 0.586 34 K N -0.410 119.939 120.400 -0.085 0.000 2.113 34 K HA -0.169 4.152 4.320 0.001 0.000 0.208 34 K C 1.517 178.075 176.600 -0.071 0.000 1.047 34 K CA 2.056 58.289 56.287 -0.091 0.000 0.928 34 K CB -0.334 32.123 32.500 -0.072 0.000 0.716 34 K HN 0.669 nan 8.250 nan 0.000 0.446 35 S N 1.328 116.995 115.700 -0.054 0.000 2.428 35 S HA -0.090 4.381 4.470 0.001 0.000 0.230 35 S C 1.379 175.954 174.600 -0.041 0.000 1.014 35 S CA 1.233 59.409 58.200 -0.042 0.000 0.957 35 S CB -0.232 62.949 63.200 -0.032 0.000 0.784 35 S HN 0.416 nan 8.310 nan 0.000 0.499 36 N N 0.218 118.886 118.700 -0.053 0.000 2.159 36 N HA 0.161 4.902 4.740 0.001 0.000 0.217 36 N C 1.088 176.552 175.510 -0.076 0.000 1.223 36 N CA 0.306 53.325 53.050 -0.052 0.000 0.896 36 N CB -0.215 38.240 38.487 -0.052 0.000 1.064 36 N HN 0.210 nan 8.380 nan 0.000 0.518 37 V N 1.969 121.818 119.914 -0.108 0.000 2.660 37 V HA -0.266 3.855 4.120 0.001 0.000 0.257 37 V C 2.059 178.057 176.094 -0.160 0.000 1.088 37 V CA 2.244 64.429 62.300 -0.192 0.000 1.106 37 V CB -0.554 31.113 31.823 -0.260 0.000 0.686 37 V HN 0.578 nan 8.190 nan 0.000 0.481 38 K N -0.461 119.933 120.400 -0.010 0.000 2.362 38 K HA -0.096 4.225 4.320 0.001 0.000 0.200 38 K C 1.238 177.926 176.600 0.148 0.000 1.046 38 K CA 1.594 57.963 56.287 0.136 0.000 0.952 38 K CB -0.394 32.160 32.500 0.091 0.000 0.753 38 K HN 0.457 nan 8.250 nan 0.000 0.466 39 N N 1.289 120.011 118.700 0.038 0.000 2.270 39 N HA 0.051 4.792 4.740 0.001 0.000 0.198 39 N C -0.348 175.175 175.510 0.021 0.000 1.117 39 N CA 0.007 53.084 53.050 0.046 0.000 0.845 39 N CB 0.562 39.054 38.487 0.008 0.000 0.980 39 N HN -0.033 nan 8.380 nan 0.000 0.486 40 V N 2.362 122.225 119.914 -0.084 0.000 2.715 40 V HA 0.057 4.178 4.120 0.001 0.000 0.299 40 V C 0.506 176.690 176.094 0.151 0.000 1.054 40 V CA 0.173 62.375 62.300 -0.164 0.000 1.077 40 V CB 0.668 32.101 31.823 -0.651 0.000 0.972 40 V HN 0.306 nan 8.190 nan 0.000 0.484 41 K N 3.438 123.937 120.400 0.165 0.000 2.495 41 K HA 0.857 5.178 4.320 0.001 0.000 0.268 41 K C -0.763 175.940 176.600 0.171 0.000 1.008 41 K CA -0.921 55.523 56.287 0.262 0.000 0.882 41 K CB 1.989 34.583 32.500 0.157 0.000 1.443 41 K HN 0.604 nan 8.250 nan 0.000 0.447 42 A N 0.487 123.282 122.820 -0.042 0.000 2.520 42 A HA 0.428 4.749 4.320 0.001 0.000 0.245 42 A C 0.816 178.249 177.584 -0.252 0.000 1.072 42 A CA 0.362 52.099 52.037 -0.499 0.000 0.761 42 A CB 0.170 18.780 19.000 -0.650 0.000 1.004 42 A HN 0.887 nan 8.150 nan 0.000 0.499 43 A N 3.502 126.148 122.820 -0.289 0.000 1.909 43 A HA 0.521 4.842 4.320 0.001 0.000 0.209 43 A C 0.673 178.346 177.584 0.148 0.000 1.247 43 A CA 1.131 53.175 52.037 0.012 0.000 0.660 43 A CB 0.006 19.112 19.000 0.178 0.000 0.910 43 A HN 1.470 nan 8.150 nan 0.000 0.465 44 W N -2.111 119.094 121.300 -0.159 0.000 2.926 44 W HA 0.580 5.243 4.660 0.005 0.000 0.361 44 W C -1.137 175.303 176.519 -0.132 0.000 1.195 44 W CA -0.165 57.109 57.345 -0.119 0.000 1.177 44 W CB 0.189 29.601 29.460 -0.080 0.000 1.453 44 W HN 0.508 nan 8.180 nan 0.000 0.571 45 S N 0.375 116.246 115.700 0.285 0.000 2.618 45 S HA 0.887 5.358 4.470 0.001 0.000 0.277 45 S C -1.828 173.022 174.600 0.417 0.000 1.138 45 S CA -0.692 57.609 58.200 0.169 0.000 0.844 45 S CB 3.145 66.390 63.200 0.075 0.000 1.127 45 S HN 0.804 nan 8.310 nan 0.000 0.474 46 F N 1.084 121.112 119.950 0.130 0.000 2.630 46 F HA 0.645 5.171 4.527 -0.001 0.000 0.325 46 F C -0.559 175.210 175.800 -0.052 0.000 1.184 46 F CA -0.243 57.797 58.000 0.066 0.000 1.011 46 F CB 2.008 41.081 39.000 0.121 0.000 1.268 46 F HN 0.793 nan 8.300 nan 0.000 0.480 47 S N 2.686 117.964 115.700 -0.703 0.000 2.525 47 S HA 0.333 4.804 4.470 0.001 0.000 0.278 47 S C 1.033 175.065 174.600 -0.948 0.000 1.234 47 S CA 0.190 58.032 58.200 -0.598 0.000 1.058 47 S CB 1.140 64.132 63.200 -0.347 0.000 0.983 47 S HN 0.845 nan 8.310 nan 0.000 0.495 48 T N 1.469 115.700 114.554 -0.538 0.000 3.067 48 T HA 0.248 4.599 4.350 0.001 0.000 0.261 48 T C 1.477 176.066 174.700 -0.185 0.000 1.110 48 T CA 0.684 62.576 62.100 -0.347 0.000 1.113 48 T CB -0.518 68.417 68.868 0.111 0.000 0.917 48 T HN 1.590 nan 8.240 nan 0.000 0.499 49 G N 0.435 109.121 108.800 -0.190 0.000 2.143 49 G HA2 -0.180 3.781 3.960 0.001 0.000 0.248 49 G HA3 -0.180 3.781 3.960 0.001 0.000 0.248 49 G C -0.023 174.883 174.900 0.010 0.000 0.991 49 G CA 0.091 45.139 45.100 -0.087 0.000 0.689 49 G HN 0.780 nan 8.290 nan 0.000 0.522 50 V N 0.363 120.311 119.914 0.056 0.000 2.876 50 V HA 0.747 4.867 4.120 0.001 0.000 0.312 50 V C 0.781 176.974 176.094 0.165 0.000 1.085 50 V CA -0.943 61.437 62.300 0.133 0.000 0.945 50 V CB 2.115 34.059 31.823 0.203 0.000 1.017 50 V HN 0.238 nan 8.190 nan 0.000 0.428 51 L N 1.713 123.025 121.223 0.148 0.000 2.902 51 L HA 0.649 4.989 4.340 0.001 0.000 0.229 51 L C 0.263 177.250 176.870 0.194 0.000 1.324 51 L CA -0.698 54.216 54.840 0.123 0.000 1.230 51 L CB 0.676 42.758 42.059 0.039 0.000 2.134 51 L HN 0.860 nan 8.230 nan 0.000 0.567 52 N N -1.651 117.102 118.700 0.089 0.000 6.535 52 N HA -0.150 4.591 4.740 0.001 0.000 0.409 52 N C -0.354 175.269 175.510 0.188 0.000 0.975 52 N CA 0.967 54.054 53.050 0.061 0.000 1.813 52 N CB -0.671 37.840 38.487 0.040 0.000 0.751 52 N HN 0.927 nan 8.380 nan 0.000 0.467 53 G N -0.599 108.281 108.800 0.133 0.000 2.272 53 G HA2 0.235 4.196 3.960 0.001 0.000 0.247 53 G HA3 0.235 4.196 3.960 0.001 0.000 0.247 53 G C -0.845 174.170 174.900 0.192 0.000 1.272 53 G CA 0.185 45.396 45.100 0.186 0.000 0.921 53 G HN 0.567 nan 8.290 nan 0.000 0.495 54 H N 1.660 120.788 119.070 0.098 0.000 2.683 54 H HA 0.270 4.827 4.556 0.001 0.000 0.270 54 H C 0.487 175.909 175.328 0.157 0.000 1.201 54 H CA -0.357 55.735 56.048 0.073 0.000 1.277 54 H CB 0.536 30.279 29.762 -0.031 0.000 1.400 54 H HN 0.612 nan 8.280 nan 0.000 0.504 55 E N 1.041 121.407 120.200 0.276 0.000 2.359 55 E HA 0.495 4.846 4.350 0.001 0.000 0.255 55 E C 0.777 177.664 176.600 0.479 0.000 1.191 55 E CA -0.160 56.474 56.400 0.390 0.000 0.952 55 E CB 1.025 30.980 29.700 0.424 0.000 1.152 55 E HN 0.711 nan 8.360 nan 0.000 0.496 56 G N -0.311 108.814 108.800 0.540 0.000 2.645 56 G HA2 0.052 4.013 3.960 0.001 0.000 0.239 56 G HA3 0.052 4.013 3.960 0.001 0.000 0.239 56 G C -0.770 174.434 174.900 0.508 0.000 1.331 56 G CA -0.416 45.045 45.100 0.601 0.000 0.890 56 G HN 0.893 nan 8.290 nan 0.000 0.572 57 A N -0.437 122.701 122.820 0.530 0.000 2.610 57 A HA 0.938 5.259 4.320 0.001 0.000 0.291 57 A C -2.652 175.163 177.584 0.385 0.000 1.086 57 A CA -0.038 52.223 52.037 0.374 0.000 0.677 57 A CB 1.655 20.818 19.000 0.271 0.000 1.278 57 A HN 1.120 nan 8.150 nan 0.000 0.414 58 P HA 0.505 nan 4.420 nan 0.000 0.274 58 P C -0.887 176.562 177.300 0.248 0.000 1.256 58 P CA -0.153 63.081 63.100 0.223 0.000 0.795 58 P CB 0.647 32.389 31.700 0.070 0.000 1.038 59 L N 0.056 121.432 121.223 0.255 0.000 2.334 59 L HA 0.533 4.873 4.340 0.001 0.000 0.273 59 L C -0.249 176.717 176.870 0.160 0.000 1.013 59 L CA -1.185 53.838 54.840 0.306 0.000 0.816 59 L CB 2.098 44.320 42.059 0.272 0.000 1.278 59 L HN 0.064 nan 8.230 nan 0.000 0.431 60 V N 4.175 124.163 119.914 0.123 0.000 2.443 60 V HA 0.425 4.545 4.120 0.001 0.000 0.293 60 V C -0.447 175.643 176.094 -0.007 0.000 1.021 60 V CA -0.372 61.895 62.300 -0.055 0.000 0.848 60 V CB 2.047 33.735 31.823 -0.225 0.000 0.998 60 V HN 0.404 nan 8.190 nan 0.000 0.424 61 I N 4.715 125.273 120.570 -0.020 0.000 2.420 61 I HA 0.620 4.790 4.170 0.001 0.000 0.282 61 I C 0.971 177.074 176.117 -0.025 0.000 1.019 61 I CA 0.370 61.619 61.300 -0.085 0.000 1.130 61 I CB 0.578 38.469 38.000 -0.182 0.000 1.262 61 I HN 0.822 nan 8.210 nan 0.000 0.454 62 G N 7.229 116.028 108.800 -0.001 0.000 2.591 62 G HA2 -0.294 3.667 3.960 0.001 0.000 0.298 62 G HA3 -0.294 3.667 3.960 0.001 0.000 0.298 62 G C 0.458 175.390 174.900 0.054 0.000 1.195 62 G CA 0.456 45.583 45.100 0.045 0.000 0.989 62 G HN 0.489 nan 8.290 nan 0.000 0.551 63 D N 1.102 121.528 120.400 0.044 0.000 2.339 63 D HA 0.213 4.853 4.640 0.001 0.000 0.217 63 D C 1.150 177.319 176.300 -0.218 0.000 1.050 63 D CA 0.513 54.516 54.000 0.004 0.000 0.856 63 D CB 0.067 40.921 40.800 0.090 0.000 0.922 63 D HN 0.227 nan 8.370 nan 0.000 0.518 64 M N 0.478 119.952 119.600 -0.210 0.000 2.363 64 M HA 0.388 4.869 4.480 0.001 0.000 0.343 64 M C -0.175 175.800 176.300 -0.541 0.000 1.165 64 M CA -0.313 54.742 55.300 -0.408 0.000 1.046 64 M CB 2.129 34.515 32.600 -0.356 0.000 1.648 64 M HN -0.136 nan 8.290 nan 0.000 0.452 65 M N 2.677 121.836 119.600 -0.734 0.000 2.393 65 M HA 0.501 4.981 4.480 0.001 0.000 0.316 65 M C -2.102 173.717 176.300 -0.803 0.000 1.087 65 M CA -0.478 54.456 55.300 -0.610 0.000 0.937 65 M CB 2.074 34.386 32.600 -0.481 0.000 1.668 65 M HN 0.590 nan 8.290 nan 0.000 0.438 66 Y N 3.426 123.624 120.300 -0.171 0.000 2.331 66 Y HA 0.583 5.134 4.550 0.002 0.000 0.334 66 Y C -0.563 175.322 175.900 -0.026 0.000 0.960 66 Y CA -0.778 57.237 58.100 -0.143 0.000 1.130 66 Y CB 1.713 40.128 38.460 -0.076 0.000 1.164 66 Y HN 0.350 nan 8.280 nan 0.000 0.458 67 V N 4.155 124.129 119.914 0.099 0.000 2.581 67 V HA 0.433 4.553 4.120 0.001 0.000 0.303 67 V C -0.324 175.985 176.094 0.359 0.000 1.041 67 V CA -0.806 61.619 62.300 0.208 0.000 0.907 67 V CB 1.434 33.311 31.823 0.091 0.000 0.994 67 V HN 0.832 nan 8.190 nan 0.000 0.442 68 H N 1.571 120.786 119.070 0.242 0.000 2.747 68 H HA 0.795 5.352 4.556 0.001 0.000 0.371 68 H C -0.501 174.965 175.328 0.230 0.000 1.161 68 H CA -0.504 55.667 56.048 0.205 0.000 1.167 68 H CB 1.987 31.836 29.762 0.146 0.000 1.732 68 H HN 0.651 nan 8.280 nan 0.000 0.544 69 S N 1.641 117.385 115.700 0.074 0.000 2.776 69 S HA 0.826 5.297 4.470 0.001 0.000 0.306 69 S C 0.252 174.725 174.600 -0.211 0.000 1.114 69 S CA -0.395 57.753 58.200 -0.086 0.000 0.973 69 S CB 1.392 64.692 63.200 0.166 0.000 1.250 69 S HN 1.051 nan 8.310 nan 0.000 0.549 70 A N 0.211 122.764 122.820 -0.445 0.000 2.250 70 A HA 0.594 4.914 4.320 0.001 0.000 0.283 70 A C -0.035 177.568 177.584 0.032 0.000 1.206 70 A CA -0.688 51.240 52.037 -0.181 0.000 0.840 70 A CB -0.537 18.339 19.000 -0.207 0.000 1.220 70 A HN 0.943 nan 8.150 nan 0.000 0.505 71 F N 0.941 120.886 119.950 -0.008 0.000 2.642 71 F HA 0.158 4.687 4.527 0.003 0.000 0.371 71 F C -1.075 174.736 175.800 0.018 0.000 1.120 71 F CA -0.845 57.166 58.000 0.018 0.000 1.331 71 F CB 0.658 39.679 39.000 0.035 0.000 1.044 71 F HN 0.316 nan 8.300 nan 0.000 0.594 72 P HA -0.029 nan 4.420 nan 0.000 0.263 72 P C -1.089 175.935 177.300 -0.460 0.000 1.386 72 P CA 0.394 62.831 63.100 -1.106 0.000 0.797 72 P CB -0.593 30.590 31.700 -0.861 0.000 1.381 73 N N -0.640 117.944 118.700 -0.193 0.000 2.699 73 N HA -0.135 4.606 4.740 0.001 0.000 0.257 73 N C -0.549 174.925 175.510 -0.060 0.000 1.077 73 N CA 0.372 53.395 53.050 -0.046 0.000 0.702 73 N CB -1.886 36.600 38.487 -0.001 0.000 0.886 73 N HN 0.298 nan 8.380 nan 0.000 0.549 74 N N 0.433 119.081 118.700 -0.087 0.000 2.513 74 N HA 0.380 5.121 4.740 0.001 0.000 0.274 74 N C -0.069 175.289 175.510 -0.253 0.000 1.189 74 N CA 0.192 53.106 53.050 -0.227 0.000 0.975 74 N CB 0.891 39.185 38.487 -0.321 0.000 1.157 74 N HN 0.163 nan 8.380 nan 0.000 0.465 75 T N 1.636 115.982 114.554 -0.346 0.000 2.824 75 T HA 0.491 4.842 4.350 0.001 0.000 0.282 75 T C -0.963 173.451 174.700 -0.478 0.000 0.993 75 T CA -0.399 61.579 62.100 -0.203 0.000 0.967 75 T CB 0.370 69.294 68.868 0.094 0.000 0.960 75 T HN 0.234 nan 8.240 nan 0.000 0.441 76 Y N 0.752 121.021 120.300 -0.051 0.000 2.425 76 Y HA 0.668 5.218 4.550 -0.001 0.000 0.344 76 Y C 0.064 175.669 175.900 -0.493 0.000 0.969 76 Y CA -1.275 56.699 58.100 -0.210 0.000 1.052 76 Y CB 1.722 40.137 38.460 -0.075 0.000 1.215 76 Y HN 0.772 nan 8.280 nan 0.000 0.451 77 A N 4.630 127.058 122.820 -0.653 0.000 2.303 77 A HA 0.870 5.190 4.320 0.001 0.000 0.320 77 A C -1.279 175.901 177.584 -0.674 0.000 1.192 77 A CA -0.633 50.844 52.037 -0.933 0.000 0.821 77 A CB 0.455 18.483 19.000 -1.620 0.000 1.188 77 A HN 0.783 nan 8.150 nan 0.000 0.492 78 L N 2.384 123.201 121.223 -0.676 0.000 2.365 78 L HA 0.467 4.807 4.340 0.001 0.000 0.273 78 L C -0.063 176.490 176.870 -0.529 0.000 1.000 78 L CA -0.958 53.552 54.840 -0.550 0.000 0.819 78 L CB 1.928 43.631 42.059 -0.595 0.000 1.284 78 L HN 0.722 nan 8.230 nan 0.000 0.418 79 N N 2.576 121.024 118.700 -0.420 0.000 2.419 79 N HA 0.239 4.980 4.740 0.001 0.000 0.264 79 N C 0.708 175.927 175.510 -0.485 0.000 1.031 79 N CA -0.237 52.590 53.050 -0.372 0.000 0.951 79 N CB 1.609 39.959 38.487 -0.228 0.000 1.101 79 N HN 0.662 nan 8.380 nan 0.000 0.488 80 L N 3.282 124.115 121.223 -0.650 0.000 2.447 80 L HA -0.164 4.177 4.340 0.001 0.000 0.225 80 L C 1.343 177.710 176.870 -0.839 0.000 1.148 80 L CA 0.799 55.056 54.840 -0.972 0.000 0.808 80 L CB -0.331 40.805 42.059 -1.538 0.000 0.928 80 L HN 0.561 nan 8.230 nan 0.000 0.448 81 N N -0.641 117.821 118.700 -0.397 0.000 2.381 81 N HA -0.119 4.621 4.740 0.001 0.000 0.182 81 N C 0.171 175.593 175.510 -0.146 0.000 1.025 81 N CA 0.818 53.850 53.050 -0.031 0.000 0.888 81 N CB 0.184 38.707 38.487 0.060 0.000 0.965 81 N HN 0.147 nan 8.380 nan 0.000 0.438 82 D N -1.770 118.459 120.400 -0.284 0.000 2.445 82 D HA 0.184 4.824 4.640 0.001 0.000 0.236 82 D C -2.408 173.636 176.300 -0.427 0.000 1.315 82 D CA -1.689 52.135 54.000 -0.294 0.000 0.924 82 D CB 0.977 41.667 40.800 -0.182 0.000 1.447 82 D HN -0.151 nan 8.370 nan 0.000 0.532 83 P HA 0.078 nan 4.420 nan 0.000 0.228 83 P C 1.291 178.299 177.300 -0.487 0.000 1.151 83 P CA 0.617 63.188 63.100 -0.881 0.000 0.770 83 P CB 0.375 30.998 31.700 -1.794 0.000 0.786 84 G N -1.397 107.210 108.800 -0.321 0.000 2.813 84 G HA2 -0.075 3.886 3.960 0.001 0.000 0.209 84 G HA3 -0.075 3.886 3.960 0.001 0.000 0.209 84 G C 0.699 175.533 174.900 -0.109 0.000 1.150 84 G CA 0.218 45.224 45.100 -0.158 0.000 0.785 84 G HN 0.101 nan 8.290 nan 0.000 0.535 85 K N 0.909 121.216 120.400 -0.155 0.000 2.323 85 K HA 0.435 4.755 4.320 0.001 0.000 0.259 85 K C -0.848 175.678 176.600 -0.124 0.000 0.947 85 K CA -0.794 55.429 56.287 -0.106 0.000 0.819 85 K CB 1.365 33.803 32.500 -0.103 0.000 1.109 85 K HN -0.000 nan 8.250 nan 0.000 0.429 86 I N 5.217 125.757 120.570 -0.050 0.000 2.308 86 I HA 0.028 4.199 4.170 0.001 0.000 0.293 86 I C 1.672 177.770 176.117 -0.031 0.000 1.078 86 I CA -0.382 60.891 61.300 -0.045 0.000 1.292 86 I CB 1.184 39.237 38.000 0.089 0.000 1.423 86 I HN 0.302 nan 8.210 nan 0.000 0.493 87 V N 6.956 126.810 119.914 -0.101 0.000 2.307 87 V HA -0.096 4.025 4.120 0.001 0.000 0.245 87 V C 0.466 176.661 176.094 0.169 0.000 1.045 87 V CA 1.378 63.674 62.300 -0.007 0.000 1.024 87 V CB -0.439 31.349 31.823 -0.058 0.000 0.651 87 V HN 0.837 nan 8.190 nan 0.000 0.449 88 W N 0.207 121.526 121.300 0.032 0.000 3.146 88 W HA 0.648 5.307 4.660 -0.002 0.000 0.319 88 W C -1.619 174.948 176.519 0.080 0.000 1.258 88 W CA -1.007 56.370 57.345 0.053 0.000 1.189 88 W CB 1.116 30.604 29.460 0.048 0.000 1.412 88 W HN 0.236 nan 8.180 nan 0.000 0.567 89 Q N 1.362 121.466 119.800 0.507 0.000 2.462 89 Q HA 0.444 4.785 4.340 0.001 0.000 0.285 89 Q C -1.836 174.388 176.000 0.373 0.000 1.035 89 Q CA -0.940 55.044 55.803 0.302 0.000 0.799 89 Q CB 3.432 32.257 28.738 0.143 0.000 1.452 89 Q HN 0.611 nan 8.270 nan 0.000 0.404 90 H N 1.217 120.357 119.070 0.116 0.000 2.800 90 H HA 0.369 4.925 4.556 0.001 0.000 0.322 90 H C -1.449 173.836 175.328 -0.073 0.000 0.979 90 H CA -0.662 55.422 56.048 0.059 0.000 1.277 90 H CB 1.345 31.175 29.762 0.114 0.000 1.484 90 H HN 0.592 nan 8.280 nan 0.000 0.512 91 K N 6.816 126.941 120.400 -0.459 0.000 2.473 91 K HA 0.290 4.611 4.320 0.001 0.000 0.246 91 K C -2.604 173.708 176.600 -0.479 0.000 1.011 91 K CA -1.780 54.273 56.287 -0.391 0.000 0.984 91 K CB 1.676 34.057 32.500 -0.198 0.000 1.250 91 K HN 0.440 nan 8.250 nan 0.000 0.454 92 P HA -0.005 nan 4.420 nan 0.000 0.268 92 P C -0.874 176.273 177.300 -0.255 0.000 1.208 92 P CA -0.114 62.767 63.100 -0.364 0.000 0.777 92 P CB 0.596 32.149 31.700 -0.244 0.000 0.875 93 K N 2.764 123.056 120.400 -0.180 0.000 2.316 93 K HA 0.304 4.624 4.320 0.001 0.000 0.267 93 K C -0.204 176.329 176.600 -0.113 0.000 1.025 93 K CA -0.382 55.828 56.287 -0.129 0.000 0.896 93 K CB 1.073 33.524 32.500 -0.081 0.000 1.124 93 K HN 0.463 nan 8.250 nan 0.000 0.451 94 Q N 1.219 120.957 119.800 -0.104 0.000 2.413 94 Q HA 0.174 4.515 4.340 0.001 0.000 0.276 94 Q C -1.118 174.939 176.000 0.096 0.000 1.099 94 Q CA -1.120 54.672 55.803 -0.019 0.000 0.814 94 Q CB 2.120 30.860 28.738 0.003 0.000 1.379 94 Q HN 0.420 nan 8.270 nan 0.000 0.436 95 D N 0.537 120.999 120.400 0.103 0.000 2.425 95 D HA 0.115 4.756 4.640 0.001 0.000 0.247 95 D C 0.466 176.868 176.300 0.170 0.000 1.147 95 D CA 0.201 54.263 54.000 0.103 0.000 0.879 95 D CB 1.544 42.379 40.800 0.058 0.000 1.179 95 D HN 0.682 nan 8.370 nan 0.000 0.456 96 A N 3.089 125.997 122.820 0.146 0.000 2.076 96 A HA -0.173 4.148 4.320 0.001 0.000 0.220 96 A C 2.073 179.660 177.584 0.005 0.000 1.160 96 A CA 1.828 53.940 52.037 0.125 0.000 0.653 96 A CB -0.591 18.470 19.000 0.102 0.000 0.801 96 A HN 0.635 nan 8.150 nan 0.000 0.455 97 S N -0.998 114.707 115.700 0.010 0.000 2.474 97 S HA -0.123 4.348 4.470 0.001 0.000 0.235 97 S C 1.645 176.209 174.600 -0.060 0.000 0.997 97 S CA 1.620 59.807 58.200 -0.022 0.000 0.949 97 S CB -1.036 62.160 63.200 -0.007 0.000 0.766 97 S HN 0.493 nan 8.310 nan 0.000 0.517 98 T N 2.603 117.116 114.554 -0.069 0.000 2.759 98 T HA -0.074 4.277 4.350 0.001 0.000 0.269 98 T C 1.662 176.231 174.700 -0.218 0.000 1.042 98 T CA 1.574 63.611 62.100 -0.104 0.000 1.140 98 T CB -0.293 68.559 68.868 -0.027 0.000 0.864 98 T HN 0.568 nan 8.240 nan 0.000 0.455 99 K N 1.205 121.388 120.400 -0.362 0.000 2.147 99 K HA 0.039 4.360 4.320 0.001 0.000 0.205 99 K C 2.545 179.057 176.600 -0.147 0.000 1.049 99 K CA 1.084 57.168 56.287 -0.339 0.000 0.936 99 K CB -0.226 32.057 32.500 -0.362 0.000 0.722 99 K HN 0.302 nan 8.250 nan 0.000 0.446 100 A N 1.188 123.950 122.820 -0.098 0.000 2.121 100 A HA -0.076 4.244 4.320 0.001 0.000 0.218 100 A C 1.984 179.590 177.584 0.037 0.000 1.154 100 A CA 1.318 53.338 52.037 -0.028 0.000 0.679 100 A CB -0.314 18.675 19.000 -0.018 0.000 0.795 100 A HN 0.202 nan 8.150 nan 0.000 0.458 101 V N -3.966 115.918 119.914 -0.050 0.000 3.376 101 V HA 0.396 4.517 4.120 0.001 0.000 0.313 101 V C 0.401 176.418 176.094 -0.128 0.000 1.393 101 V CA -0.160 62.052 62.300 -0.147 0.000 1.125 101 V CB -0.859 30.855 31.823 -0.180 0.000 1.037 101 V HN 0.387 nan 8.190 nan 0.000 0.440 102 M N 1.308 120.891 119.600 -0.028 0.000 2.080 102 M HA 0.271 4.752 4.480 0.001 0.000 0.350 102 M C 1.457 177.793 176.300 0.060 0.000 1.173 102 M CA -0.351 54.935 55.300 -0.023 0.000 1.052 102 M CB 1.427 34.001 32.600 -0.044 0.000 1.577 102 M HN 0.560 nan 8.290 nan 0.000 0.455 103 C N 1.120 120.452 119.300 0.053 0.000 2.429 103 C HA -0.043 4.418 4.460 0.001 0.000 0.277 103 C C 1.108 176.022 174.990 -0.127 0.000 1.262 103 C CA 0.274 59.329 59.018 0.061 0.000 1.733 103 C CB -0.705 27.023 27.740 -0.021 0.000 2.010 103 C HN 0.866 nan 8.230 nan 0.000 0.483 104 C N 2.144 121.371 119.300 -0.123 0.000 2.987 104 C HA 0.591 5.051 4.460 0.001 0.000 0.262 104 C C -0.499 174.544 174.990 0.088 0.000 1.531 104 C CA -0.429 58.534 59.018 -0.091 0.000 1.571 104 C CB -2.344 25.280 27.740 -0.194 0.000 2.381 104 C HN 0.829 nan 8.230 nan 0.000 0.519 105 D N 0.268 120.769 120.400 0.169 0.000 10.746 105 D HA -0.176 4.465 4.640 0.001 0.000 0.347 105 D C 0.123 176.529 176.300 0.177 0.000 3.135 105 D CA 0.946 55.118 54.000 0.287 0.000 2.657 105 D CB 0.201 41.144 40.800 0.238 0.000 1.219 105 D HN 0.727 nan 8.370 nan 0.000 0.943 106 V N 0.557 120.577 119.914 0.177 0.000 2.346 106 V HA 0.464 4.585 4.120 0.001 0.000 0.320 106 V C 1.022 177.210 176.094 0.157 0.000 1.663 106 V CA 0.102 62.477 62.300 0.125 0.000 1.667 106 V CB -0.606 31.267 31.823 0.083 0.000 1.465 106 V HN 0.653 nan 8.190 nan 0.000 0.524 107 V N -0.710 119.293 119.914 0.149 0.000 3.214 107 V HA 0.728 4.849 4.120 0.001 0.000 0.306 107 V C -0.211 175.989 176.094 0.176 0.000 1.078 107 V CA -0.327 62.069 62.300 0.160 0.000 1.077 107 V CB 1.784 33.730 31.823 0.205 0.000 1.121 107 V HN 0.627 nan 8.190 nan 0.000 0.468 108 D N 0.771 121.297 120.400 0.209 0.000 2.763 108 D HA 0.348 4.989 4.640 0.001 0.000 0.235 108 D C 0.390 176.889 176.300 0.332 0.000 1.334 108 D CA -0.577 53.568 54.000 0.241 0.000 0.950 108 D CB 1.952 42.918 40.800 0.276 0.000 1.433 108 D HN 0.620 nan 8.370 nan 0.000 0.580 109 R N 1.894 122.528 120.500 0.225 0.000 2.325 109 R HA 0.412 4.753 4.340 0.001 0.000 0.214 109 R C 0.978 177.394 176.300 0.193 0.000 0.961 109 R CA 0.325 56.588 56.100 0.271 0.000 1.086 109 R CB 0.196 30.534 30.300 0.063 0.000 1.037 109 R HN 0.575 nan 8.270 nan 0.000 0.493 110 G N 0.290 108.967 108.800 -0.205 0.000 2.381 110 G HA2 -0.090 3.871 3.960 0.001 0.000 0.672 110 G HA3 -0.090 3.871 3.960 0.001 0.000 0.672 110 G C -1.004 173.732 174.900 -0.274 0.000 1.324 110 G CA -1.113 43.640 45.100 -0.578 0.000 0.975 110 G HN 0.021 nan 8.290 nan 0.000 0.593 111 L N 0.112 121.225 121.223 -0.183 0.000 2.400 111 L HA 0.879 5.220 4.340 0.001 0.000 0.264 111 L C 0.967 177.860 176.870 0.039 0.000 1.061 111 L CA -0.407 54.408 54.840 -0.042 0.000 0.799 111 L CB 1.545 43.604 42.059 0.001 0.000 1.240 111 L HN 1.289 nan 8.230 nan 0.000 0.461 112 A N 0.165 122.993 122.820 0.014 0.000 2.486 112 A HA 0.758 5.079 4.320 0.001 0.000 0.289 112 A C -1.981 175.620 177.584 0.029 0.000 1.176 112 A CA -0.384 51.667 52.037 0.022 0.000 0.757 112 A CB 1.662 20.651 19.000 -0.019 0.000 1.337 112 A HN 0.595 nan 8.150 nan 0.000 0.423 113 Y N -0.637 119.589 120.300 -0.123 0.000 2.470 113 Y HA 0.608 5.158 4.550 0.001 0.000 0.341 113 Y C -0.153 175.675 175.900 -0.119 0.000 1.021 113 Y CA 0.139 58.159 58.100 -0.134 0.000 1.025 113 Y CB 2.134 40.524 38.460 -0.117 0.000 1.266 113 Y HN 1.335 nan 8.280 nan 0.000 0.448 114 G N 2.555 110.861 108.800 -0.823 0.000 2.716 114 G HA2 0.566 4.526 3.960 0.001 0.000 0.299 114 G HA3 0.566 4.526 3.960 0.001 0.000 0.299 114 G C -0.550 174.015 174.900 -0.558 0.000 1.450 114 G CA -0.277 44.501 45.100 -0.536 0.000 0.968 114 G HN 1.608 nan 8.290 nan 0.000 0.566 115 A N -0.063 122.545 122.820 -0.353 0.000 2.610 115 A HA 0.343 4.663 4.320 0.001 0.000 0.299 115 A C 2.250 179.671 177.584 -0.272 0.000 1.487 115 A CA 2.052 53.956 52.037 -0.220 0.000 0.743 115 A CB -1.311 17.609 19.000 -0.134 0.000 1.070 115 A HN 3.115 nan 8.150 nan 0.000 0.439 116 G N -1.820 106.766 108.800 -0.357 0.000 2.203 116 G HA2 -0.221 3.740 3.960 0.001 0.000 0.263 116 G HA3 -0.221 3.740 3.960 0.001 0.000 0.263 116 G C -0.062 174.678 174.900 -0.267 0.000 1.012 116 G CA 1.266 46.254 45.100 -0.187 0.000 0.749 116 G HN 1.637 nan 8.290 nan 0.000 0.512 117 Q N -0.926 118.557 119.800 -0.529 0.000 2.413 117 Q HA 0.698 5.038 4.340 0.001 0.000 0.276 117 Q C -0.385 175.366 176.000 -0.416 0.000 1.099 117 Q CA -1.216 54.352 55.803 -0.392 0.000 0.814 117 Q CB 2.064 30.583 28.738 -0.364 0.000 1.379 117 Q HN 0.131 nan 8.270 nan 0.000 0.436 118 I N 2.275 122.677 120.570 -0.280 0.000 2.304 118 I HA 0.212 4.383 4.170 0.001 0.000 0.291 118 I C -0.408 175.553 176.117 -0.260 0.000 1.018 118 I CA -0.541 60.627 61.300 -0.221 0.000 1.260 118 I CB 1.249 39.150 38.000 -0.165 0.000 1.390 118 I HN 0.403 nan 8.210 nan 0.000 0.475 119 V N 7.980 127.755 119.914 -0.231 0.000 2.385 119 V HA 0.345 4.465 4.120 0.001 0.000 0.269 119 V C 0.375 176.364 176.094 -0.176 0.000 1.043 119 V CA -0.428 61.717 62.300 -0.258 0.000 0.906 119 V CB 1.180 32.887 31.823 -0.193 0.000 0.995 119 V HN 0.626 nan 8.190 nan 0.000 0.467 120 K N 5.160 125.437 120.400 -0.206 0.000 2.464 120 K HA 0.588 4.908 4.320 0.001 0.000 0.253 120 K C -1.025 175.516 176.600 -0.100 0.000 0.933 120 K CA -0.771 55.447 56.287 -0.116 0.000 0.801 120 K CB 2.648 35.099 32.500 -0.082 0.000 1.271 120 K HN 0.687 nan 8.250 nan 0.000 0.430 121 K N 1.495 121.876 120.400 -0.033 0.000 2.280 121 K HA 0.442 4.762 4.320 0.001 0.000 0.234 121 K C -0.681 175.944 176.600 0.041 0.000 1.028 121 K CA -0.580 55.709 56.287 0.002 0.000 0.882 121 K CB 1.028 33.540 32.500 0.020 0.000 1.194 121 K HN 0.522 nan 8.250 nan 0.000 0.458 122 Q N -0.615 119.222 119.800 0.062 0.000 2.413 122 Q HA 0.544 4.885 4.340 0.001 0.000 0.276 122 Q C 0.255 176.316 176.000 0.102 0.000 1.099 122 Q CA -0.878 54.964 55.803 0.064 0.000 0.814 122 Q CB 2.097 30.843 28.738 0.013 0.000 1.379 122 Q HN 0.740 nan 8.270 nan 0.000 0.436 123 A N 1.933 124.852 122.820 0.164 0.000 1.948 123 A HA -0.253 4.067 4.320 0.001 0.000 0.220 123 A C 1.418 179.087 177.584 0.141 0.000 1.177 123 A CA 2.155 54.309 52.037 0.195 0.000 0.636 123 A CB -1.019 18.192 19.000 0.352 0.000 0.815 123 A HN 0.943 nan 8.150 nan 0.000 0.449 124 N N -1.552 117.225 118.700 0.129 0.000 2.567 124 N HA 0.246 4.987 4.740 0.001 0.000 0.195 124 N C 0.956 176.536 175.510 0.117 0.000 1.242 124 N CA 0.795 53.892 53.050 0.080 0.000 0.884 124 N CB -0.101 38.391 38.487 0.008 0.000 1.007 124 N HN 0.624 nan 8.380 nan 0.000 0.450 125 G N -0.021 108.862 108.800 0.138 0.000 2.176 125 G HA2 -0.248 3.712 3.960 0.001 0.000 0.232 125 G HA3 -0.248 3.712 3.960 0.001 0.000 0.232 125 G C -0.324 174.720 174.900 0.240 0.000 0.986 125 G CA -0.229 44.977 45.100 0.177 0.000 0.643 125 G HN 0.643 nan 8.290 nan 0.000 0.522 126 H N -0.677 118.403 119.070 0.016 0.000 2.511 126 H HA 0.549 5.106 4.556 0.001 0.000 0.346 126 H C -0.473 174.830 175.328 -0.043 0.000 1.128 126 H CA -0.442 55.600 56.048 -0.011 0.000 1.342 126 H CB 2.105 31.869 29.762 0.003 0.000 1.470 126 H HN 0.207 nan 8.280 nan 0.000 0.546 127 L N 3.757 124.990 121.223 0.016 0.000 2.356 127 L HA 0.365 4.706 4.340 0.001 0.000 0.277 127 L C -1.728 175.072 176.870 -0.116 0.000 0.996 127 L CA -0.525 54.272 54.840 -0.072 0.000 0.822 127 L CB 1.119 43.072 42.059 -0.176 0.000 1.256 127 L HN 0.386 nan 8.230 nan 0.000 0.413 128 L N 4.444 125.488 121.223 -0.299 0.000 2.350 128 L HA 0.943 5.284 4.340 0.001 0.000 0.260 128 L C -0.449 175.875 176.870 -0.910 0.000 1.015 128 L CA -0.553 53.948 54.840 -0.564 0.000 0.821 128 L CB 1.990 43.817 42.059 -0.386 0.000 1.370 128 L HN 0.700 nan 8.230 nan 0.000 0.416 129 A N 2.512 124.555 122.820 -1.296 0.000 2.311 129 A HA 0.863 5.184 4.320 0.001 0.000 0.306 129 A C -1.047 176.088 177.584 -0.748 0.000 1.189 129 A CA -0.365 50.988 52.037 -1.140 0.000 0.791 129 A CB 0.467 18.447 19.000 -1.700 0.000 1.172 129 A HN 0.609 nan 8.150 nan 0.000 0.481 130 L N 1.435 122.341 121.223 -0.528 0.000 2.334 130 L HA 0.395 4.736 4.340 0.001 0.000 0.276 130 L C -0.101 176.539 176.870 -0.383 0.000 1.014 130 L CA -0.960 53.604 54.840 -0.459 0.000 0.815 130 L CB 1.845 43.642 42.059 -0.436 0.000 1.268 130 L HN 0.815 nan 8.230 nan 0.000 0.428 131 D N 1.246 121.416 120.400 -0.383 0.000 2.450 131 D HA 0.167 4.808 4.640 0.001 0.000 0.247 131 D C 0.959 177.124 176.300 -0.224 0.000 1.162 131 D CA 0.306 54.139 54.000 -0.278 0.000 0.879 131 D CB 1.607 42.252 40.800 -0.258 0.000 1.163 131 D HN 0.623 nan 8.370 nan 0.000 0.472 132 A N 4.409 127.201 122.820 -0.047 0.000 2.019 132 A HA -0.192 4.129 4.320 0.001 0.000 0.219 132 A C 1.866 179.700 177.584 0.417 0.000 1.164 132 A CA 1.274 53.426 52.037 0.193 0.000 0.644 132 A CB -0.229 18.912 19.000 0.235 0.000 0.805 132 A HN 0.682 nan 8.150 nan 0.000 0.449 133 K N -1.213 119.300 120.400 0.187 0.000 2.137 133 K HA -0.035 4.285 4.320 0.001 0.000 0.202 133 K C 1.871 178.530 176.600 0.099 0.000 1.052 133 K CA 1.584 57.996 56.287 0.209 0.000 0.961 133 K CB -0.012 32.547 32.500 0.097 0.000 0.741 133 K HN 0.670 nan 8.250 nan 0.000 0.452 134 T N -4.404 109.996 114.554 -0.257 0.000 2.959 134 T HA 0.231 4.581 4.350 0.001 0.000 0.254 134 T C 1.338 175.342 174.700 -1.160 0.000 1.003 134 T CA 0.420 62.228 62.100 -0.487 0.000 0.950 134 T CB 0.970 69.678 68.868 -0.267 0.000 1.090 134 T HN 0.263 nan 8.240 nan 0.000 0.503 135 G N 1.946 109.765 108.800 -1.635 0.000 2.157 135 G HA2 -0.258 3.702 3.960 0.001 0.000 0.248 135 G HA3 -0.258 3.702 3.960 0.001 0.000 0.248 135 G C -0.017 174.378 174.900 -0.842 0.000 0.979 135 G CA 0.270 44.180 45.100 -1.983 0.000 0.650 135 G HN 0.825 nan 8.290 nan 0.000 0.529 136 K N 0.811 120.866 120.400 -0.575 0.000 2.382 136 K HA 0.388 4.709 4.320 0.001 0.000 0.275 136 K C 0.580 176.973 176.600 -0.345 0.000 1.009 136 K CA -0.529 55.548 56.287 -0.350 0.000 0.970 136 K CB 0.127 32.476 32.500 -0.251 0.000 0.934 136 K HN 0.278 nan 8.250 nan 0.000 0.479 137 I N 5.103 125.509 120.570 -0.274 0.000 2.436 137 I HA -0.064 4.106 4.170 0.001 0.000 0.289 137 I C 1.085 177.070 176.117 -0.219 0.000 1.083 137 I CA -0.370 60.761 61.300 -0.282 0.000 1.372 137 I CB 0.668 38.542 38.000 -0.210 0.000 1.408 137 I HN 0.633 nan 8.210 nan 0.000 0.516 138 N N 6.850 125.384 118.700 -0.277 0.000 2.336 138 N HA 0.060 4.801 4.740 0.001 0.000 0.177 138 N C -0.431 175.088 175.510 0.016 0.000 1.018 138 N CA 0.801 53.760 53.050 -0.152 0.000 0.878 138 N CB 0.333 38.711 38.487 -0.182 0.000 0.997 138 N HN 0.697 nan 8.380 nan 0.000 0.433 139 W N -0.486 120.730 121.300 -0.140 0.000 3.146 139 W HA 0.577 5.239 4.660 0.003 0.000 0.319 139 W C -1.512 174.919 176.519 -0.147 0.000 1.258 139 W CA -0.599 56.667 57.345 -0.131 0.000 1.189 139 W CB 0.869 30.252 29.460 -0.129 0.000 1.412 139 W HN -0.241 nan 8.180 nan 0.000 0.567 140 E N 1.801 122.188 120.200 0.313 0.000 2.291 140 E HA 0.517 4.868 4.350 0.001 0.000 0.276 140 E C -1.698 174.968 176.600 0.111 0.000 0.896 140 E CA -0.615 55.884 56.400 0.164 0.000 0.774 140 E CB 2.817 32.541 29.700 0.039 0.000 1.227 140 E HN 0.599 nan 8.360 nan 0.000 0.413 141 V N 0.192 120.131 119.914 0.041 0.000 3.130 141 V HA 0.620 4.741 4.120 0.001 0.000 0.310 141 V C -0.657 175.304 176.094 -0.221 0.000 1.158 141 V CA -0.975 61.252 62.300 -0.120 0.000 1.029 141 V CB 1.870 33.582 31.823 -0.184 0.000 1.057 141 V HN 0.708 nan 8.190 nan 0.000 0.436 142 E N 0.703 120.772 120.200 -0.218 0.000 2.249 142 E HA 0.559 4.910 4.350 0.001 0.000 0.280 142 E C -0.185 176.392 176.600 -0.039 0.000 1.016 142 E CA -0.452 55.839 56.400 -0.182 0.000 0.830 142 E CB 2.155 31.760 29.700 -0.158 0.000 1.081 142 E HN 0.595 nan 8.360 nan 0.000 0.395 143 V N 1.273 121.196 119.914 0.015 0.000 3.250 143 V HA 0.087 4.208 4.120 0.001 0.000 0.240 143 V C 0.124 176.280 176.094 0.103 0.000 1.275 143 V CA 0.216 62.578 62.300 0.104 0.000 1.206 143 V CB 0.744 32.615 31.823 0.081 0.000 0.976 143 V HN 0.713 nan 8.190 nan 0.000 0.467 144 c N 0.291 118.945 118.600 0.091 0.000 2.802 144 c HA 0.694 5.265 4.570 0.001 0.000 0.307 144 c C -0.926 173.215 174.090 0.085 0.000 1.222 144 c CA -0.789 55.593 56.329 0.087 0.000 1.580 144 c CB 1.739 44.300 42.510 0.086 0.000 2.119 144 c HN 0.441 nan 8.230 nan 0.000 0.479 145 D N 1.190 121.631 120.400 0.068 0.000 2.441 145 D HA 0.392 5.033 4.640 0.001 0.000 0.231 145 D C -1.822 174.500 176.300 0.036 0.000 1.073 145 D CA -2.005 52.030 54.000 0.058 0.000 0.850 145 D CB 1.547 42.376 40.800 0.048 0.000 1.062 145 D HN 0.127 nan 8.370 nan 0.000 0.524 146 P HA -0.121 nan 4.420 nan 0.000 0.219 146 P C 0.882 178.170 177.300 -0.020 0.000 1.146 146 P CA 1.102 64.204 63.100 0.002 0.000 0.808 146 P CB 0.301 32.008 31.700 0.011 0.000 0.779 147 K N -0.471 119.925 120.400 -0.007 0.000 2.209 147 K HA -0.057 4.263 4.320 0.001 0.000 0.204 147 K C 1.372 177.950 176.600 -0.038 0.000 1.048 147 K CA 1.473 57.747 56.287 -0.022 0.000 0.940 147 K CB -0.366 32.128 32.500 -0.009 0.000 0.729 147 K HN 0.200 nan 8.250 nan 0.000 0.451 148 V N -3.554 116.347 119.914 -0.023 0.000 3.271 148 V HA 0.416 4.537 4.120 0.001 0.000 0.327 148 V C 0.788 176.863 176.094 -0.033 0.000 1.389 148 V CA 0.167 62.455 62.300 -0.021 0.000 1.156 148 V CB -0.061 31.772 31.823 0.018 0.000 1.103 148 V HN 0.350 nan 8.190 nan 0.000 0.453 149 G N 0.153 108.912 108.800 -0.068 0.000 2.141 149 G HA2 -0.260 3.701 3.960 0.001 0.000 0.242 149 G HA3 -0.260 3.701 3.960 0.001 0.000 0.242 149 G C 0.249 175.105 174.900 -0.073 0.000 0.982 149 G CA 0.370 45.400 45.100 -0.117 0.000 0.662 149 G HN 1.014 nan 8.290 nan 0.000 0.527 150 S N 0.683 116.373 115.700 -0.018 0.000 2.457 150 S HA 0.779 5.249 4.470 0.001 0.000 0.289 150 S C 0.505 175.118 174.600 0.021 0.000 1.163 150 S CA 0.914 59.124 58.200 0.016 0.000 1.078 150 S CB 1.020 64.251 63.200 0.051 0.000 0.987 150 S HN 1.329 nan 8.310 nan 0.000 0.482 151 T N 2.394 116.962 114.554 0.024 0.000 2.804 151 T HA 0.683 5.033 4.350 0.001 0.000 0.290 151 T C -0.945 173.793 174.700 0.063 0.000 1.099 151 T CA -0.926 61.197 62.100 0.038 0.000 1.011 151 T CB 0.744 69.618 68.868 0.011 0.000 1.291 151 T HN 0.471 nan 8.240 nan 0.000 0.523 152 L N 1.347 122.618 121.223 0.079 0.000 2.356 152 L HA 0.606 4.946 4.340 0.001 0.000 0.277 152 L C 0.872 177.801 176.870 0.098 0.000 0.996 152 L CA -0.596 54.299 54.840 0.092 0.000 0.822 152 L CB 2.448 44.562 42.059 0.092 0.000 1.256 152 L HN 1.197 nan 8.230 nan 0.000 0.413 153 T N -2.341 112.276 114.554 0.106 0.000 3.098 153 T HA 0.056 4.407 4.350 0.001 0.000 0.256 153 T C 0.412 175.173 174.700 0.102 0.000 0.921 153 T CA -0.338 61.830 62.100 0.114 0.000 0.916 153 T CB 0.133 69.067 68.868 0.109 0.000 1.246 153 T HN 0.539 nan 8.240 nan 0.000 0.511 154 Q N 1.812 121.667 119.800 0.091 0.000 2.492 154 Q HA 0.646 4.986 4.340 0.001 0.000 0.238 154 Q C -0.014 175.983 176.000 -0.006 0.000 1.045 154 Q CA -0.578 55.212 55.803 -0.022 0.000 0.934 154 Q CB 0.474 29.188 28.738 -0.040 0.000 1.276 154 Q HN 0.413 nan 8.270 nan 0.000 0.521 155 A N 2.095 124.877 122.820 -0.064 0.000 2.354 155 A HA 0.496 4.817 4.320 0.001 0.000 0.269 155 A C -2.234 175.446 177.584 0.160 0.000 1.109 155 A CA -1.538 50.539 52.037 0.067 0.000 0.800 155 A CB -0.086 19.021 19.000 0.180 0.000 1.045 155 A HN 0.664 nan 8.150 nan 0.000 0.489 156 P HA 0.360 nan 4.420 nan 0.000 0.274 156 P C -0.946 176.462 177.300 0.179 0.000 1.246 156 P CA 0.020 63.188 63.100 0.114 0.000 0.795 156 P CB 0.344 32.058 31.700 0.024 0.000 1.006 157 F N 1.068 120.951 119.950 -0.112 0.000 2.518 157 F HA 0.459 4.987 4.527 0.001 0.000 0.323 157 F C -1.221 174.458 175.800 -0.202 0.000 1.129 157 F CA -0.745 57.168 58.000 -0.144 0.000 0.920 157 F CB 1.250 40.019 39.000 -0.384 0.000 1.160 157 F HN -0.072 nan 8.300 nan 0.000 0.440 158 V N 5.252 124.819 119.914 -0.579 0.000 2.398 158 V HA 0.858 4.979 4.120 0.001 0.000 0.286 158 V C -0.447 175.374 176.094 -0.454 0.000 1.026 158 V CA -0.556 61.508 62.300 -0.392 0.000 0.868 158 V CB 1.166 32.842 31.823 -0.245 0.000 0.982 158 V HN 0.943 nan 8.190 nan 0.000 0.443 159 A N 4.472 127.094 122.820 -0.330 0.000 2.402 159 A HA 0.758 5.078 4.320 0.001 0.000 0.291 159 A C -0.023 177.382 177.584 -0.297 0.000 1.051 159 A CA -0.554 51.243 52.037 -0.401 0.000 0.716 159 A CB 1.099 19.656 19.000 -0.738 0.000 1.223 159 A HN 0.807 nan 8.150 nan 0.000 0.425 160 K N 0.541 120.829 120.400 -0.187 0.000 1.751 160 K HA -0.241 4.080 4.320 0.001 0.000 0.134 160 K C -0.523 176.027 176.600 -0.084 0.000 1.167 160 K CA 2.139 58.372 56.287 -0.091 0.000 0.330 160 K CB -0.859 31.599 32.500 -0.071 0.000 0.663 160 K HN 0.733 nan 8.250 nan 0.000 0.817 161 D N 0.695 121.048 120.400 -0.078 0.000 2.525 161 D HA 0.202 4.842 4.640 0.001 0.000 0.229 161 D C -0.958 175.280 176.300 -0.103 0.000 1.202 161 D CA 0.223 54.178 54.000 -0.075 0.000 0.828 161 D CB 0.741 41.508 40.800 -0.054 0.000 1.008 161 D HN 0.185 nan 8.370 nan 0.000 0.493 162 T N -0.174 114.294 114.554 -0.143 0.000 2.863 162 T HA 0.519 4.869 4.350 0.001 0.000 0.285 162 T C -0.339 174.242 174.700 -0.199 0.000 1.009 162 T CA -0.636 61.349 62.100 -0.191 0.000 0.989 162 T CB 2.376 71.102 68.868 -0.236 0.000 1.004 162 T HN -0.298 nan 8.240 nan 0.000 0.455 163 V N 3.843 123.655 119.914 -0.169 0.000 2.384 163 V HA 0.434 4.555 4.120 0.001 0.000 0.287 163 V C -0.829 175.153 176.094 -0.186 0.000 1.020 163 V CA -0.874 61.358 62.300 -0.114 0.000 0.850 163 V CB 1.355 33.205 31.823 0.046 0.000 0.987 163 V HN 0.588 nan 8.190 nan 0.000 0.436 164 L N 5.613 126.665 121.223 -0.285 0.000 2.289 164 L HA 0.736 5.077 4.340 0.001 0.000 0.285 164 L C -0.275 176.481 176.870 -0.191 0.000 1.049 164 L CA -0.104 54.473 54.840 -0.439 0.000 0.804 164 L CB 1.293 42.797 42.059 -0.925 0.000 1.195 164 L HN 0.750 nan 8.230 nan 0.000 0.428 165 M N 2.293 121.860 119.600 -0.055 0.000 2.322 165 M HA 0.711 5.191 4.480 0.001 0.000 0.286 165 M C -0.717 175.640 176.300 0.094 0.000 1.111 165 M CA -0.180 55.176 55.300 0.094 0.000 0.941 165 M CB 2.296 34.981 32.600 0.141 0.000 1.671 165 M HN 0.524 nan 8.290 nan 0.000 0.470 166 G N 2.862 111.740 108.800 0.129 0.000 2.495 166 G HA2 0.640 4.601 3.960 0.001 0.000 0.318 166 G HA3 0.640 4.601 3.960 0.001 0.000 0.318 166 G C -1.079 173.896 174.900 0.125 0.000 1.257 166 G CA -0.575 44.582 45.100 0.095 0.000 0.962 166 G HN 0.925 nan 8.290 nan 0.000 0.483 167 c N 0.534 119.203 118.600 0.115 0.000 2.520 167 c HA 0.698 5.269 4.570 0.001 0.000 0.376 167 c C 1.065 175.252 174.090 0.161 0.000 1.268 167 c CA -0.300 56.103 56.329 0.123 0.000 2.414 167 c CB 0.881 43.452 42.510 0.101 0.000 2.521 167 c HN 0.669 nan 8.230 nan 0.000 0.618 168 S N -0.143 115.629 115.700 0.121 0.000 2.638 168 S HA 0.767 5.238 4.470 0.001 0.000 0.298 168 S C 0.646 175.266 174.600 0.034 0.000 1.111 168 S CA 0.400 58.649 58.200 0.080 0.000 1.027 168 S CB 1.537 64.723 63.200 -0.023 0.000 1.064 168 S HN 1.327 nan 8.310 nan 0.000 0.525 169 G N -0.139 108.667 108.800 0.009 0.000 2.363 169 G HA2 0.071 4.032 3.960 0.001 0.000 0.213 169 G HA3 0.071 4.032 3.960 0.001 0.000 0.213 169 G C 0.565 175.508 174.900 0.072 0.000 1.028 169 G CA 0.195 45.294 45.100 -0.001 0.000 0.822 169 G HN 0.823 nan 8.290 nan 0.000 0.536 170 A N 0.222 123.128 122.820 0.145 0.000 2.019 170 A HA 0.190 4.510 4.320 0.001 0.000 0.219 170 A C 1.858 179.593 177.584 0.252 0.000 1.164 170 A CA 2.145 54.324 52.037 0.237 0.000 0.644 170 A CB -0.163 19.028 19.000 0.319 0.000 0.805 170 A HN 0.373 nan 8.150 nan 0.000 0.449 171 E N -0.949 119.364 120.200 0.189 0.000 2.472 171 E HA 0.022 4.373 4.350 0.001 0.000 0.200 171 E C 0.455 177.117 176.600 0.103 0.000 1.046 171 E CA 0.530 57.030 56.400 0.166 0.000 0.871 171 E CB -0.070 29.718 29.700 0.147 0.000 0.806 171 E HN 0.556 nan 8.360 nan 0.000 0.533 172 L N -1.647 119.606 121.223 0.050 0.000 3.168 172 L HA 0.368 4.709 4.340 0.001 0.000 0.277 172 L C 1.115 178.113 176.870 0.213 0.000 1.245 172 L CA 0.183 55.030 54.840 0.011 0.000 1.035 172 L CB 0.827 42.728 42.059 -0.263 0.000 1.399 172 L HN 0.091 nan 8.230 nan 0.000 0.580 173 G N -0.245 108.748 108.800 0.322 0.000 2.155 173 G HA2 -0.261 3.700 3.960 0.001 0.000 0.257 173 G HA3 -0.261 3.700 3.960 0.001 0.000 0.257 173 G C 0.340 175.301 174.900 0.102 0.000 0.983 173 G CA 0.226 45.481 45.100 0.259 0.000 0.676 173 G HN 0.145 nan 8.290 nan 0.000 0.528 174 V N 0.876 120.868 119.914 0.129 0.000 2.585 174 V HA 0.223 4.344 4.120 0.001 0.000 0.296 174 V C 1.322 177.504 176.094 0.146 0.000 1.035 174 V CA 0.145 62.512 62.300 0.112 0.000 1.084 174 V CB 1.230 33.118 31.823 0.108 0.000 0.953 174 V HN 0.506 nan 8.190 nan 0.000 0.483 175 R N 3.910 124.494 120.500 0.141 0.000 2.248 175 R HA 0.400 4.741 4.340 0.001 0.000 0.328 175 R C 0.563 177.039 176.300 0.294 0.000 1.067 175 R CA -0.159 56.064 56.100 0.205 0.000 0.924 175 R CB 0.431 30.833 30.300 0.170 0.000 1.013 175 R HN 0.924 nan 8.270 nan 0.000 0.454 176 G N 2.247 111.224 108.800 0.296 0.000 2.554 176 G HA2 0.406 4.367 3.960 0.001 0.000 0.238 176 G HA3 0.406 4.367 3.960 0.001 0.000 0.238 176 G C -0.924 174.102 174.900 0.209 0.000 1.259 176 G CA 0.115 45.374 45.100 0.264 0.000 0.843 176 G HN 0.810 nan 8.290 nan 0.000 0.582 177 A N 0.316 123.164 122.820 0.047 0.000 2.582 177 A HA 0.535 4.856 4.320 0.001 0.000 0.297 177 A C -1.023 176.467 177.584 -0.157 0.000 1.059 177 A CA -0.365 51.560 52.037 -0.186 0.000 0.705 177 A CB 1.549 20.144 19.000 -0.674 0.000 1.279 177 A HN 1.885 nan 8.150 nan 0.000 0.404 178 V N 2.295 122.098 119.914 -0.185 0.000 2.370 178 V HA 0.531 4.652 4.120 0.001 0.000 0.279 178 V C -0.546 175.410 176.094 -0.229 0.000 1.029 178 V CA -0.504 61.685 62.300 -0.183 0.000 0.870 178 V CB 0.751 32.418 31.823 -0.260 0.000 0.984 178 V HN 0.865 nan 8.190 nan 0.000 0.451 179 N N 5.492 124.020 118.700 -0.286 0.000 2.430 179 N HA 0.755 5.495 4.740 0.001 0.000 0.292 179 N C -0.613 174.431 175.510 -0.776 0.000 1.051 179 N CA -0.192 52.552 53.050 -0.510 0.000 0.917 179 N CB 1.863 40.142 38.487 -0.347 0.000 1.164 179 N HN 0.896 nan 8.380 nan 0.000 0.484 180 A N 1.949 124.002 122.820 -1.278 0.000 2.303 180 A HA 0.729 5.049 4.320 0.001 0.000 0.320 180 A C -1.239 175.625 177.584 -1.199 0.000 1.192 180 A CA -0.517 50.721 52.037 -1.332 0.000 0.821 180 A CB 0.082 17.723 19.000 -2.264 0.000 1.188 180 A HN 0.586 nan 8.150 nan 0.000 0.492 181 F N 0.124 119.761 119.950 -0.523 0.000 2.579 181 F HA 0.409 4.937 4.527 0.002 0.000 0.324 181 F C 0.262 175.834 175.800 -0.380 0.000 1.058 181 F CA -0.666 57.076 58.000 -0.429 0.000 0.944 181 F CB 1.751 40.527 39.000 -0.374 0.000 1.245 181 F HN 0.663 nan 8.300 nan 0.000 0.477 182 D N 1.246 121.529 120.400 -0.194 0.000 2.348 182 D HA 0.142 4.783 4.640 0.001 0.000 0.253 182 D C 1.006 177.199 176.300 -0.178 0.000 1.161 182 D CA -0.172 53.705 54.000 -0.205 0.000 0.876 182 D CB 1.000 41.661 40.800 -0.232 0.000 1.160 182 D HN 0.501 nan 8.370 nan 0.000 0.459 183 L N 4.490 125.679 121.223 -0.057 0.000 2.127 183 L HA -0.121 4.219 4.340 0.001 0.000 0.211 183 L C 1.598 178.581 176.870 0.189 0.000 1.089 183 L CA 1.881 56.770 54.840 0.082 0.000 0.757 183 L CB -0.271 41.788 42.059 0.000 0.000 0.899 183 L HN 0.381 nan 8.230 nan 0.000 0.434 184 K N -1.360 119.060 120.400 0.034 0.000 2.211 184 K HA 0.072 4.392 4.320 0.001 0.000 0.201 184 K C 1.814 178.398 176.600 -0.027 0.000 1.052 184 K CA 1.378 57.702 56.287 0.062 0.000 0.973 184 K CB -0.069 32.424 32.500 -0.011 0.000 0.766 184 K HN 0.588 nan 8.250 nan 0.000 0.466 185 T N -4.974 109.375 114.554 -0.343 0.000 2.971 185 T HA 0.254 4.605 4.350 0.001 0.000 0.252 185 T C 1.387 175.367 174.700 -1.199 0.000 1.022 185 T CA 0.298 62.072 62.100 -0.544 0.000 0.980 185 T CB 0.741 69.423 68.868 -0.310 0.000 1.044 185 T HN 0.192 nan 8.240 nan 0.000 0.501 186 G N 1.623 109.416 108.800 -1.679 0.000 2.159 186 G HA2 -0.274 3.686 3.960 0.001 0.000 0.256 186 G HA3 -0.274 3.686 3.960 0.001 0.000 0.256 186 G C -0.173 174.278 174.900 -0.748 0.000 0.977 186 G CA 0.295 44.137 45.100 -2.097 0.000 0.652 186 G HN 0.873 nan 8.290 nan 0.000 0.531 187 E N -0.011 119.905 120.200 -0.473 0.000 2.360 187 E HA 0.402 4.753 4.350 0.001 0.000 0.269 187 E C 0.511 177.023 176.600 -0.147 0.000 1.022 187 E CA -0.888 55.374 56.400 -0.230 0.000 0.887 187 E CB 0.390 29.962 29.700 -0.213 0.000 0.990 187 E HN 0.351 nan 8.360 nan 0.000 0.426 188 L N 5.384 126.527 121.223 -0.132 0.000 2.433 188 L HA 0.055 4.396 4.340 0.001 0.000 0.275 188 L C 0.618 177.267 176.870 -0.368 0.000 1.128 188 L CA 0.678 55.281 54.840 -0.395 0.000 0.875 188 L CB 0.432 42.301 42.059 -0.316 0.000 1.171 188 L HN 0.610 nan 8.230 nan 0.000 0.463 189 K N 5.635 125.727 120.400 -0.512 0.000 2.063 189 K HA 0.147 4.467 4.320 0.001 0.000 0.204 189 K C -0.250 176.232 176.600 -0.197 0.000 1.039 189 K CA 1.335 57.412 56.287 -0.349 0.000 0.957 189 K CB 0.100 32.328 32.500 -0.453 0.000 0.764 189 K HN 0.779 nan 8.250 nan 0.000 0.447 190 W N -0.248 120.877 121.300 -0.292 0.000 2.961 190 W HA 0.544 5.205 4.660 0.002 0.000 0.368 190 W C -1.503 174.829 176.519 -0.312 0.000 1.213 190 W CA -0.935 56.265 57.345 -0.242 0.000 1.173 190 W CB 1.128 30.483 29.460 -0.174 0.000 1.487 190 W HN -0.194 nan 8.180 nan 0.000 0.585 191 R N 0.962 121.625 120.500 0.271 0.000 2.508 191 R HA 0.552 4.893 4.340 0.001 0.000 0.283 191 R C -1.813 174.503 176.300 0.028 0.000 1.120 191 R CA -0.289 55.815 56.100 0.008 0.000 0.958 191 R CB 1.734 31.893 30.300 -0.235 0.000 1.215 191 R HN 0.686 nan 8.270 nan 0.000 0.427 192 A N 5.404 128.225 122.820 0.002 0.000 2.277 192 A HA 0.527 4.848 4.320 0.001 0.000 0.318 192 A C -0.901 176.574 177.584 -0.183 0.000 1.339 192 A CA -0.538 51.441 52.037 -0.097 0.000 0.875 192 A CB 0.120 19.025 19.000 -0.158 0.000 1.158 192 A HN 0.562 nan 8.150 nan 0.000 0.514 193 F N 1.297 121.227 119.950 -0.035 0.000 2.399 193 F HA 0.393 4.921 4.527 0.001 0.000 0.313 193 F C 1.598 177.415 175.800 0.029 0.000 1.202 193 F CA 0.872 58.885 58.000 0.022 0.000 1.192 193 F CB 1.119 40.152 39.000 0.056 0.000 1.256 193 F HN 0.599 nan 8.300 nan 0.000 0.558 194 A N -0.150 122.892 122.820 0.371 0.000 2.147 194 A HA 0.209 4.530 4.320 0.001 0.000 0.211 194 A C 0.636 178.526 177.584 0.509 0.000 1.160 194 A CA 0.981 53.278 52.037 0.435 0.000 0.781 194 A CB -0.529 18.750 19.000 0.465 0.000 0.842 194 A HN 0.707 nan 8.150 nan 0.000 0.475 195 T N -4.889 109.897 114.554 0.387 0.000 2.883 195 T HA 0.668 5.019 4.350 0.001 0.000 0.296 195 T C 0.123 174.834 174.700 0.018 0.000 1.117 195 T CA 0.093 62.351 62.100 0.262 0.000 1.006 195 T CB 1.506 70.465 68.868 0.151 0.000 1.191 195 T HN 1.946 nan 8.240 nan 0.000 0.508 196 G N 1.200 109.779 108.800 -0.369 0.000 2.396 196 G HA2 0.262 4.222 3.960 0.001 0.000 0.254 196 G HA3 0.262 4.222 3.960 0.001 0.000 0.254 196 G C -0.093 174.466 174.900 -0.568 0.000 1.248 196 G CA -0.096 44.424 45.100 -0.966 0.000 1.033 196 G HN 2.045 nan 8.290 nan 0.000 0.502 197 S N -0.089 115.311 115.700 -0.499 0.000 2.584 197 S HA 0.371 4.842 4.470 0.001 0.000 0.270 197 S C 0.928 175.473 174.600 -0.091 0.000 1.346 197 S CA 0.891 58.948 58.200 -0.237 0.000 1.018 197 S CB 1.243 64.335 63.200 -0.181 0.000 0.899 197 S HN 0.577 nan 8.310 nan 0.000 0.542 198 D N 0.964 121.354 120.400 -0.017 0.000 2.182 198 D HA -0.082 4.558 4.640 0.001 0.000 0.201 198 D C 1.221 177.504 176.300 -0.030 0.000 0.986 198 D CA 1.313 55.327 54.000 0.024 0.000 0.847 198 D CB -0.359 40.507 40.800 0.110 0.000 0.942 198 D HN 0.617 nan 8.370 nan 0.000 0.467 199 D N -0.365 120.013 120.400 -0.038 0.000 2.117 199 D HA -0.100 4.541 4.640 0.001 0.000 0.198 199 D C 2.192 178.479 176.300 -0.021 0.000 0.982 199 D CA 1.299 55.275 54.000 -0.040 0.000 0.828 199 D CB -0.323 40.455 40.800 -0.035 0.000 0.967 199 D HN 0.223 nan 8.370 nan 0.000 0.464 200 S N -0.235 115.461 115.700 -0.007 0.000 2.406 200 S HA -0.066 4.404 4.470 0.001 0.000 0.228 200 S C 2.057 176.747 174.600 0.150 0.000 1.020 200 S CA 0.555 58.810 58.200 0.091 0.000 0.965 200 S CB -0.384 62.802 63.200 -0.024 0.000 0.798 200 S HN 0.079 nan 8.310 nan 0.000 0.488 201 V N 1.251 121.182 119.914 0.027 0.000 2.951 201 V HA 0.205 4.326 4.120 0.001 0.000 0.255 201 V C 0.659 176.622 176.094 -0.218 0.000 1.088 201 V CA 0.443 62.712 62.300 -0.050 0.000 1.109 201 V CB -1.253 30.554 31.823 -0.028 0.000 0.724 201 V HN 0.547 nan 8.190 nan 0.000 0.471 202 R N 0.162 120.552 120.500 -0.184 0.000 2.823 202 R HA -0.132 4.209 4.340 0.001 0.000 0.294 202 R C -0.943 175.157 176.300 -0.334 0.000 0.952 202 R CA 0.086 56.036 56.100 -0.251 0.000 0.695 202 R CB -1.729 28.381 30.300 -0.318 0.000 1.795 202 R HN 0.379 nan 8.270 nan 0.000 0.468 203 L N 1.438 122.491 121.223 -0.282 0.000 2.307 203 L HA 0.673 5.014 4.340 0.001 0.000 0.284 203 L C 1.091 177.907 176.870 -0.090 0.000 1.023 203 L CA -0.766 53.859 54.840 -0.358 0.000 0.810 203 L CB 1.724 43.503 42.059 -0.468 0.000 1.231 203 L HN 0.470 nan 8.230 nan 0.000 0.423 204 A N 2.918 125.720 122.820 -0.030 0.000 2.346 204 A HA 0.234 4.555 4.320 0.001 0.000 0.252 204 A C 1.086 178.797 177.584 0.212 0.000 1.089 204 A CA -0.194 51.877 52.037 0.057 0.000 0.797 204 A CB 0.349 19.380 19.000 0.051 0.000 1.047 204 A HN 0.898 nan 8.150 nan 0.000 0.494 205 K N 0.171 120.658 120.400 0.145 0.000 2.152 205 K HA -0.127 4.193 4.320 0.001 0.000 0.206 205 K C 0.273 177.057 176.600 0.307 0.000 1.048 205 K CA 1.630 58.020 56.287 0.172 0.000 0.933 205 K CB -0.030 32.501 32.500 0.053 0.000 0.721 205 K HN 0.857 nan 8.250 nan 0.000 0.447 206 D N 0.084 120.624 120.400 0.233 0.000 2.491 206 D HA -0.058 4.582 4.640 0.001 0.000 0.228 206 D C -0.131 176.291 176.300 0.204 0.000 1.183 206 D CA -0.549 53.571 54.000 0.199 0.000 0.827 206 D CB -0.605 40.262 40.800 0.111 0.000 0.989 206 D HN -0.060 nan 8.370 nan 0.000 0.494 207 F N 2.741 122.747 119.950 0.093 0.000 2.593 207 F HA 0.053 4.581 4.527 0.001 0.000 0.393 207 F C 0.771 176.512 175.800 -0.099 0.000 1.037 207 F CA -0.129 57.847 58.000 -0.040 0.000 1.195 207 F CB -0.033 38.879 39.000 -0.147 0.000 1.034 207 F HN -0.062 nan 8.300 nan 0.000 0.552 208 N N 2.377 120.744 118.700 -0.555 0.000 2.725 208 N HA -0.265 4.476 4.740 0.001 0.000 0.249 208 N C 1.335 176.664 175.510 -0.303 0.000 1.103 208 N CA 1.122 53.851 53.050 -0.535 0.000 0.707 208 N CB -1.368 36.615 38.487 -0.839 0.000 1.043 208 N HN 0.723 nan 8.380 nan 0.000 0.553 209 S N -1.668 113.940 115.700 -0.152 0.000 2.419 209 S HA 0.010 4.480 4.470 0.001 0.000 0.233 209 S C 1.905 176.434 174.600 -0.118 0.000 1.016 209 S CA 0.854 59.003 58.200 -0.085 0.000 0.974 209 S CB -0.019 63.173 63.200 -0.013 0.000 0.786 209 S HN 0.506 nan 8.310 nan 0.000 0.492 210 A N 1.755 124.475 122.820 -0.166 0.000 2.072 210 A HA 0.223 4.543 4.320 0.001 0.000 0.216 210 A C 0.984 178.413 177.584 -0.259 0.000 1.156 210 A CA 0.315 52.238 52.037 -0.190 0.000 0.701 210 A CB -0.080 18.796 19.000 -0.206 0.000 0.816 210 A HN 0.546 nan 8.150 nan 0.000 0.458 211 N N -0.297 118.172 118.700 -0.385 0.000 2.711 211 N HA 0.140 4.881 4.740 0.001 0.000 0.263 211 N C -2.517 172.713 175.510 -0.466 0.000 1.667 211 N CA -0.830 51.881 53.050 -0.565 0.000 0.785 211 N CB 1.260 38.841 38.487 -1.511 0.000 1.231 211 N HN 0.173 nan 8.380 nan 0.000 0.503 212 P HA -0.196 nan 4.420 nan 0.000 0.220 212 P C 1.077 178.368 177.300 -0.014 0.000 1.144 212 P CA 1.376 64.422 63.100 -0.091 0.000 0.800 212 P CB -0.073 31.612 31.700 -0.025 0.000 0.772 213 H N -2.262 116.739 119.070 -0.115 0.000 2.546 213 H HA -0.033 4.524 4.556 0.001 0.000 0.277 213 H C 1.723 177.139 175.328 0.147 0.000 1.004 213 H CA 0.378 56.424 56.048 -0.003 0.000 1.231 213 H CB -1.504 28.254 29.762 -0.006 0.000 1.382 213 H HN 0.295 nan 8.280 nan 0.000 0.580 214 Y N 1.657 121.745 120.300 -0.353 0.000 2.439 214 Y HA 0.122 4.673 4.550 0.001 0.000 0.292 214 Y C 1.306 177.187 175.900 -0.030 0.000 1.130 214 Y CA 0.094 58.069 58.100 -0.209 0.000 1.254 214 Y CB 0.484 38.832 38.460 -0.186 0.000 1.000 214 Y HN 0.507 nan 8.280 nan 0.000 0.554 215 G N 0.292 109.175 108.800 0.138 0.000 2.617 215 G HA2 -0.122 3.839 3.960 0.001 0.000 0.686 215 G HA3 -0.122 3.839 3.960 0.001 0.000 0.686 215 G C -0.875 174.159 174.900 0.224 0.000 1.214 215 G CA -0.460 44.740 45.100 0.167 0.000 0.796 215 G HN 0.221 nan 8.290 nan 0.000 0.654 216 Q N -0.697 119.204 119.800 0.167 0.000 1.845 216 Q HA 0.534 4.875 4.340 0.001 0.000 0.152 216 Q C -0.029 175.972 176.000 0.003 0.000 0.453 216 Q CA -0.271 55.501 55.803 -0.052 0.000 0.693 216 Q CB 0.642 29.103 28.738 -0.461 0.000 0.936 216 Q HN 0.497 nan 8.270 nan 0.000 0.323 217 F N 0.129 120.283 119.950 0.340 0.000 2.379 217 F HA 0.483 5.010 4.527 0.001 0.000 0.332 217 F C 1.255 177.175 175.800 0.200 0.000 1.096 217 F CA 0.335 58.485 58.000 0.250 0.000 1.105 217 F CB 1.191 40.283 39.000 0.154 0.000 1.189 217 F HN 0.616 nan 8.300 nan 0.000 0.515 218 G N 1.323 110.337 108.800 0.356 0.000 2.184 218 G HA2 -0.296 3.664 3.960 0.001 0.000 0.264 218 G HA3 -0.296 3.664 3.960 0.001 0.000 0.264 218 G C 0.856 175.855 174.900 0.165 0.000 0.975 218 G CA 0.499 45.723 45.100 0.206 0.000 0.642 218 G HN 0.634 nan 8.290 nan 0.000 0.536 219 L N 0.503 121.863 121.223 0.228 0.000 2.313 219 L HA 0.158 4.498 4.340 0.001 0.000 0.214 219 L C 2.922 179.828 176.870 0.060 0.000 1.119 219 L CA 1.040 55.926 54.840 0.077 0.000 0.809 219 L CB -0.550 41.463 42.059 -0.076 0.000 0.933 219 L HN 0.312 nan 8.230 nan 0.000 0.449 220 G N -0.028 108.900 108.800 0.213 0.000 2.498 220 G HA2 -0.228 3.733 3.960 0.001 0.000 0.219 220 G HA3 -0.228 3.733 3.960 0.001 0.000 0.219 220 G C 1.562 176.460 174.900 -0.003 0.000 1.119 220 G CA 1.489 46.707 45.100 0.196 0.000 0.766 220 G HN 0.481 nan 8.290 nan 0.000 0.552 221 T N -3.059 111.461 114.554 -0.057 0.000 2.989 221 T HA 0.232 4.582 4.350 0.001 0.000 0.250 221 T C 1.981 176.765 174.700 0.140 0.000 0.981 221 T CA 0.171 62.177 62.100 -0.157 0.000 0.980 221 T CB 0.053 68.715 68.868 -0.343 0.000 1.133 221 T HN 0.172 nan 8.240 nan 0.000 0.489 222 K N 1.912 122.375 120.400 0.104 0.000 2.211 222 K HA -0.020 4.301 4.320 0.001 0.000 0.203 222 K C 1.856 178.506 176.600 0.084 0.000 1.050 222 K CA 1.671 58.014 56.287 0.093 0.000 0.945 222 K CB -0.239 32.293 32.500 0.054 0.000 0.732 222 K HN 0.600 nan 8.250 nan 0.000 0.451 223 T N -2.009 112.584 114.554 0.065 0.000 3.324 223 T HA 0.096 4.447 4.350 0.001 0.000 0.250 223 T C -0.343 174.222 174.700 -0.225 0.000 1.059 223 T CA -0.533 61.495 62.100 -0.119 0.000 0.951 223 T CB -0.321 68.375 68.868 -0.287 0.000 1.030 223 T HN 0.080 nan 8.240 nan 0.000 0.576 224 W N 0.173 121.509 121.300 0.060 0.000 3.029 224 W HA 0.597 5.258 4.660 0.001 0.000 0.339 224 W C -0.460 176.134 176.519 0.125 0.000 1.198 224 W CA -1.125 56.298 57.345 0.130 0.000 1.148 224 W CB 1.441 31.058 29.460 0.261 0.000 1.451 224 W HN -0.009 nan 8.180 nan 0.000 0.564 225 E N 1.228 121.657 120.200 0.382 0.000 2.133 225 E HA 0.489 4.840 4.350 0.001 0.000 0.274 225 E C 0.698 177.439 176.600 0.236 0.000 0.930 225 E CA 0.412 56.955 56.400 0.239 0.000 0.770 225 E CB 0.816 30.610 29.700 0.156 0.000 1.104 225 E HN 0.647 nan 8.360 nan 0.000 0.403 226 G N 4.705 113.626 108.800 0.202 0.000 2.547 226 G HA2 -0.298 3.663 3.960 0.001 0.000 0.271 226 G HA3 -0.298 3.663 3.960 0.001 0.000 0.271 226 G C 0.125 175.108 174.900 0.139 0.000 1.209 226 G CA 0.184 45.371 45.100 0.145 0.000 0.959 226 G HN 0.715 nan 8.290 nan 0.000 0.563 227 D N 1.551 121.903 120.400 -0.080 0.000 2.370 227 D HA 0.411 5.051 4.640 0.001 0.000 0.230 227 D C 2.072 177.979 176.300 -0.656 0.000 1.143 227 D CA 0.911 54.613 54.000 -0.498 0.000 0.834 227 D CB -0.103 40.416 40.800 -0.468 0.000 0.944 227 D HN 0.754 nan 8.370 nan 0.000 0.504 228 A N 1.104 123.778 122.820 -0.243 0.000 2.024 228 A HA -0.155 4.166 4.320 0.001 0.000 0.220 228 A C 1.973 179.304 177.584 -0.421 0.000 1.164 228 A CA 0.629 52.597 52.037 -0.115 0.000 0.643 228 A CB -0.956 18.224 19.000 0.301 0.000 0.806 228 A HN 0.562 nan 8.150 nan 0.000 0.451 229 W N 0.092 120.971 121.300 -0.702 0.000 2.525 229 W HA -0.035 4.625 4.660 0.001 0.000 0.259 229 W C 1.035 177.129 176.519 -0.708 0.000 1.253 229 W CA 0.921 57.425 57.345 -1.402 0.000 1.262 229 W CB -0.625 27.936 29.460 -1.499 0.000 1.122 229 W HN 0.269 nan 8.180 nan 0.000 0.607 230 K N 1.617 121.362 120.400 -1.091 0.000 2.283 230 K HA -0.077 4.244 4.320 0.001 0.000 0.202 230 K C 1.515 177.827 176.600 -0.480 0.000 1.048 230 K CA 1.605 57.383 56.287 -0.848 0.000 0.948 230 K CB -0.199 31.719 32.500 -0.970 0.000 0.742 230 K HN 0.411 nan 8.250 nan 0.000 0.458 231 I N -4.415 115.879 120.570 -0.460 0.000 3.426 231 I HA 0.310 4.481 4.170 0.001 0.000 0.329 231 I C 0.639 176.699 176.117 -0.094 0.000 1.553 231 I CA -0.502 60.580 61.300 -0.363 0.000 1.019 231 I CB 0.912 38.450 38.000 -0.769 0.000 1.376 231 I HN -0.184 nan 8.210 nan 0.000 0.525 232 G N 0.811 109.541 108.800 -0.116 0.000 3.383 232 G HA2 0.485 4.446 3.960 0.001 0.000 0.251 232 G HA3 0.485 4.446 3.960 0.001 0.000 0.251 232 G C 0.907 176.012 174.900 0.342 0.000 1.203 232 G CA 0.318 45.488 45.100 0.117 0.000 0.852 232 G HN 0.795 nan 8.290 nan 0.000 0.531 233 G N 0.055 109.013 108.800 0.262 0.000 2.574 233 G HA2 0.231 4.192 3.960 0.001 0.000 0.286 233 G HA3 0.231 4.192 3.960 0.001 0.000 0.286 233 G C 1.148 176.252 174.900 0.341 0.000 1.212 233 G CA 1.104 46.390 45.100 0.309 0.000 0.979 233 G HN 1.934 nan 8.290 nan 0.000 0.557 234 G N -2.356 106.668 108.800 0.372 0.000 2.141 234 G HA2 0.157 4.118 3.960 0.001 0.000 0.242 234 G HA3 0.157 4.118 3.960 0.001 0.000 0.242 234 G C 0.969 176.092 174.900 0.372 0.000 0.982 234 G CA 1.496 46.831 45.100 0.391 0.000 0.662 234 G HN 2.783 nan 8.290 nan 0.000 0.527 235 T N 0.072 114.846 114.554 0.367 0.000 2.946 235 T HA 0.404 4.755 4.350 0.001 0.000 0.311 235 T C 0.304 175.237 174.700 0.387 0.000 1.063 235 T CA 0.299 62.619 62.100 0.367 0.000 1.139 235 T CB 1.176 70.280 68.868 0.393 0.000 0.994 235 T HN 0.916 nan 8.240 nan 0.000 0.547 236 N N 3.375 122.242 118.700 0.278 0.000 2.476 236 N HA 0.148 4.889 4.740 0.001 0.000 0.257 236 N C -0.049 175.508 175.510 0.079 0.000 0.970 236 N CA -1.062 52.058 53.050 0.116 0.000 0.938 236 N CB 1.089 39.655 38.487 0.132 0.000 1.144 236 N HN 1.047 nan 8.380 nan 0.000 0.500 237 W N 1.765 123.071 121.300 0.010 0.000 2.467 237 W HA 0.447 5.107 4.660 0.001 0.000 0.369 237 W C -0.227 176.186 176.519 -0.176 0.000 0.938 237 W CA -0.731 56.583 57.345 -0.052 0.000 1.845 237 W CB -0.604 28.866 29.460 0.017 0.000 1.167 237 W HN 0.390 nan 8.180 nan 0.000 0.558 238 G N 1.509 109.947 108.800 -0.603 0.000 3.286 238 G HA2 0.413 4.374 3.960 0.001 0.000 0.173 238 G HA3 0.413 4.374 3.960 0.001 0.000 0.173 238 G C -1.393 173.053 174.900 -0.756 0.000 1.704 238 G CA -0.221 44.476 45.100 -0.673 0.000 1.041 238 G HN 0.112 nan 8.290 nan 0.000 0.561 239 W N -1.988 119.209 121.300 -0.172 0.000 2.902 239 W HA 0.715 5.376 4.660 0.001 0.000 0.346 239 W C -1.185 175.205 176.519 -0.216 0.000 1.139 239 W CA -0.829 56.466 57.345 -0.084 0.000 1.139 239 W CB 1.092 30.599 29.460 0.078 0.000 1.439 239 W HN 0.327 nan 8.180 nan 0.000 0.558 240 Y N 0.552 120.975 120.300 0.204 0.000 2.650 240 Y HA 0.840 5.391 4.550 0.001 0.000 0.331 240 Y C 0.314 176.162 175.900 -0.088 0.000 1.082 240 Y CA -1.462 56.574 58.100 -0.107 0.000 1.171 240 Y CB 1.716 39.705 38.460 -0.785 0.000 1.326 240 Y HN 0.468 nan 8.280 nan 0.000 0.513 241 A N 0.591 123.525 122.820 0.189 0.000 2.587 241 A HA 0.723 5.043 4.320 0.001 0.000 0.293 241 A C -2.528 175.431 177.584 0.624 0.000 1.087 241 A CA -0.637 51.639 52.037 0.399 0.000 0.692 241 A CB 1.594 20.800 19.000 0.343 0.000 1.291 241 A HN 0.655 nan 8.150 nan 0.000 0.407 242 Y N 0.960 121.632 120.300 0.620 0.000 2.479 242 Y HA 0.559 5.110 4.550 0.001 0.000 0.338 242 Y C -1.699 174.543 175.900 0.569 0.000 1.055 242 Y CA -1.041 57.416 58.100 0.595 0.000 1.023 242 Y CB 2.004 40.843 38.460 0.631 0.000 1.287 242 Y HN 0.660 nan 8.280 nan 0.000 0.447 243 D N 7.877 128.182 120.400 -0.157 0.000 2.460 243 D HA 0.349 4.990 4.640 0.001 0.000 0.232 243 D C -2.249 173.676 176.300 -0.625 0.000 1.079 243 D CA -2.287 51.645 54.000 -0.114 0.000 0.864 243 D CB 2.365 43.228 40.800 0.105 0.000 1.048 243 D HN 0.338 nan 8.370 nan 0.000 0.523 244 P HA -0.168 nan 4.420 nan 0.000 0.216 244 P C 1.348 178.561 177.300 -0.145 0.000 1.153 244 P CA 1.277 64.138 63.100 -0.399 0.000 0.858 244 P CB 0.379 31.990 31.700 -0.150 0.000 0.789 245 K N 0.022 120.393 120.400 -0.048 0.000 2.032 245 K HA -0.134 4.187 4.320 0.001 0.000 0.209 245 K C 1.812 178.416 176.600 0.006 0.000 1.048 245 K CA 1.472 57.764 56.287 0.009 0.000 0.927 245 K CB -0.581 31.948 32.500 0.049 0.000 0.712 245 K HN 0.100 nan 8.250 nan 0.000 0.441 246 L N 0.212 121.433 121.223 -0.002 0.000 2.492 246 L HA 0.021 4.362 4.340 0.001 0.000 0.223 246 L C 0.577 177.456 176.870 0.014 0.000 1.132 246 L CA 0.190 55.045 54.840 0.024 0.000 0.850 246 L CB -0.484 41.617 42.059 0.071 0.000 0.966 246 L HN 0.388 nan 8.230 nan 0.000 0.454 247 N N 0.571 119.250 118.700 -0.034 0.000 2.735 247 N HA -0.208 4.533 4.740 0.001 0.000 0.248 247 N C -0.765 174.850 175.510 0.174 0.000 1.083 247 N CA 0.542 53.652 53.050 0.101 0.000 0.703 247 N CB -1.192 37.380 38.487 0.140 0.000 1.005 247 N HN 0.280 nan 8.380 nan 0.000 0.550 248 L N 0.870 122.116 121.223 0.039 0.000 2.346 248 L HA 0.626 4.967 4.340 0.001 0.000 0.276 248 L C 0.214 177.055 176.870 -0.049 0.000 1.006 248 L CA -1.251 53.525 54.840 -0.107 0.000 0.817 248 L CB 1.000 42.855 42.059 -0.340 0.000 1.272 248 L HN 0.179 nan 8.230 nan 0.000 0.421 249 F N 0.778 120.637 119.950 -0.152 0.000 2.507 249 F HA 0.754 5.282 4.527 0.002 0.000 0.327 249 F C -1.306 174.326 175.800 -0.280 0.000 1.068 249 F CA -0.995 57.022 58.000 0.027 0.000 0.965 249 F CB 0.935 40.049 39.000 0.190 0.000 1.192 249 F HN 0.152 nan 8.300 nan 0.000 0.476 250 Y N 2.077 122.570 120.300 0.322 0.000 2.499 250 Y HA 0.678 5.228 4.550 0.001 0.000 0.347 250 Y C -0.698 175.408 175.900 0.343 0.000 0.987 250 Y CA -1.404 56.776 58.100 0.134 0.000 1.044 250 Y CB 1.755 40.231 38.460 0.028 0.000 1.245 250 Y HN 0.797 nan 8.280 nan 0.000 0.461 251 Y N -1.501 118.913 120.300 0.191 0.000 2.741 251 Y HA 0.821 5.372 4.550 0.001 0.000 0.339 251 Y C -1.059 174.882 175.900 0.067 0.000 1.226 251 Y CA -1.924 56.214 58.100 0.063 0.000 1.072 251 Y CB 0.981 39.444 38.460 0.006 0.000 1.331 251 Y HN 0.790 nan 8.280 nan 0.000 0.453 252 G N 0.913 109.697 108.800 -0.027 0.000 2.452 252 G HA2 0.537 4.498 3.960 0.001 0.000 0.324 252 G HA3 0.537 4.498 3.960 0.001 0.000 0.324 252 G C -1.229 173.771 174.900 0.166 0.000 1.214 252 G CA -0.737 44.316 45.100 -0.079 0.000 0.947 252 G HN 1.024 nan 8.290 nan 0.000 0.478 253 S N 0.972 116.826 115.700 0.257 0.000 2.586 253 S HA 0.730 5.201 4.470 0.001 0.000 0.274 253 S C 0.919 175.680 174.600 0.268 0.000 1.281 253 S CA -0.106 58.332 58.200 0.397 0.000 1.035 253 S CB 1.690 65.264 63.200 0.624 0.000 0.962 253 S HN 0.959 nan 8.310 nan 0.000 0.512 254 G N 1.628 110.606 108.800 0.296 0.000 2.489 254 G HA2 0.237 4.197 3.960 0.001 0.000 0.271 254 G HA3 0.237 4.197 3.960 0.001 0.000 0.271 254 G C 0.136 175.227 174.900 0.319 0.000 1.427 254 G CA -0.895 44.398 45.100 0.321 0.000 1.057 254 G HN 0.948 nan 8.290 nan 0.000 0.532 255 N N 0.925 119.827 118.700 0.337 0.000 2.503 255 N HA 0.229 4.970 4.740 0.001 0.000 0.267 255 N C -2.693 172.986 175.510 0.282 0.000 1.214 255 N CA -1.068 52.139 53.050 0.261 0.000 0.959 255 N CB 1.533 40.145 38.487 0.209 0.000 1.142 255 N HN 0.187 nan 8.380 nan 0.000 0.455 256 P HA 0.251 nan 4.420 nan 0.000 0.276 256 P C -1.143 176.335 177.300 0.297 0.000 1.244 256 P CA -0.447 62.845 63.100 0.319 0.000 0.801 256 P CB 1.034 32.858 31.700 0.207 0.000 1.006 257 A N 2.749 125.787 122.820 0.364 0.000 2.355 257 A HA 0.777 5.098 4.320 0.001 0.000 0.324 257 A C -2.404 175.325 177.584 0.243 0.000 1.117 257 A CA -1.947 50.274 52.037 0.305 0.000 0.785 257 A CB 0.853 20.088 19.000 0.393 0.000 1.254 257 A HN 0.404 nan 8.150 nan 0.000 0.453 258 P HA 0.173 nan 4.420 nan 0.000 0.306 258 P C 0.021 177.364 177.300 0.072 0.000 1.309 258 P CA -0.369 62.526 63.100 -0.341 0.000 0.759 258 P CB 0.506 31.518 31.700 -1.147 0.000 1.314 259 W N -1.139 120.040 121.300 -0.200 0.000 2.402 259 W HA 0.004 4.665 4.660 0.001 0.000 0.286 259 W C 1.176 177.717 176.519 0.038 0.000 1.221 259 W CA 0.563 57.909 57.345 0.001 0.000 1.257 259 W CB -1.855 27.577 29.460 -0.047 0.000 1.120 259 W HN 0.278 nan 8.180 nan 0.000 0.551 260 N N 2.194 120.944 118.700 0.083 0.000 2.412 260 N HA -0.090 4.651 4.740 0.001 0.000 0.279 260 N C 1.187 176.701 175.510 0.008 0.000 1.287 260 N CA 0.660 53.726 53.050 0.027 0.000 0.948 260 N CB 0.640 39.055 38.487 -0.120 0.000 1.255 260 N HN 0.317 nan 8.380 nan 0.000 0.485 261 E N 1.822 122.015 120.200 -0.012 0.000 2.204 261 E HA -0.130 4.221 4.350 0.001 0.000 0.195 261 E C 1.025 177.651 176.600 0.043 0.000 0.990 261 E CA 1.602 57.931 56.400 -0.119 0.000 0.821 261 E CB -0.477 29.056 29.700 -0.277 0.000 0.750 261 E HN 0.464 nan 8.360 nan 0.000 0.477 262 T N 0.484 115.071 114.554 0.056 0.000 2.915 262 T HA -0.001 4.350 4.350 0.001 0.000 0.269 262 T C 1.491 176.237 174.700 0.076 0.000 1.071 262 T CA 1.349 63.493 62.100 0.072 0.000 1.132 262 T CB -0.199 68.707 68.868 0.064 0.000 0.878 262 T HN 0.198 nan 8.240 nan 0.000 0.479 263 M N 1.202 120.843 119.600 0.069 0.000 2.618 263 M HA 0.102 4.583 4.480 0.001 0.000 0.240 263 M C 0.510 176.891 176.300 0.134 0.000 1.123 263 M CA 0.649 56.004 55.300 0.092 0.000 1.060 263 M CB 0.181 32.823 32.600 0.071 0.000 1.535 263 M HN 0.188 nan 8.290 nan 0.000 0.507 264 R N -0.191 120.390 120.500 0.135 0.000 2.754 264 R HA 0.352 4.692 4.340 0.001 0.000 0.255 264 R C -3.111 173.278 176.300 0.150 0.000 1.723 264 R CA -1.373 54.830 56.100 0.171 0.000 1.596 264 R CB -0.323 30.097 30.300 0.200 0.000 1.424 264 R HN -0.129 nan 8.270 nan 0.000 0.662 265 P HA 0.277 nan 4.420 nan 0.000 0.269 265 P C 0.244 177.480 177.300 -0.108 0.000 1.209 265 P CA 0.885 63.964 63.100 -0.036 0.000 0.776 265 P CB 1.255 32.927 31.700 -0.047 0.000 0.876 266 G N 2.055 110.699 108.800 -0.260 0.000 2.459 266 G HA2 -0.123 3.838 3.960 0.001 0.000 0.685 266 G HA3 -0.123 3.838 3.960 0.001 0.000 0.685 266 G C 0.031 174.772 174.900 -0.265 0.000 1.303 266 G CA -0.481 44.462 45.100 -0.260 0.000 0.907 266 G HN 0.347 nan 8.290 nan 0.000 0.632 267 D N 0.614 120.835 120.400 -0.299 0.000 2.309 267 D HA -0.017 4.624 4.640 0.001 0.000 0.212 267 D C 1.465 177.522 176.300 -0.405 0.000 0.968 267 D CA 1.207 55.038 54.000 -0.282 0.000 0.882 267 D CB -0.088 40.534 40.800 -0.296 0.000 0.918 267 D HN 0.577 nan 8.370 nan 0.000 0.503 268 N N 0.604 118.865 118.700 -0.731 0.000 2.740 268 N HA -0.204 4.537 4.740 0.001 0.000 0.248 268 N C -0.431 174.846 175.510 -0.388 0.000 1.062 268 N CA 0.635 52.977 53.050 -1.179 0.000 0.704 268 N CB -1.309 36.615 38.487 -0.938 0.000 0.968 268 N HN 0.399 nan 8.380 nan 0.000 0.547 269 K N -0.647 119.559 120.400 -0.323 0.000 2.258 269 K HA 0.088 4.409 4.320 0.001 0.000 0.264 269 K C 0.260 177.004 176.600 0.241 0.000 1.007 269 K CA 0.065 56.163 56.287 -0.316 0.000 0.941 269 K CB 0.395 32.184 32.500 -1.184 0.000 0.966 269 K HN 0.186 nan 8.250 nan 0.000 0.480 270 W N 2.267 123.809 121.300 0.403 0.000 1.899 270 W HA 0.093 4.754 4.660 0.001 0.000 0.325 270 W C 0.329 177.031 176.519 0.304 0.000 0.737 270 W CA -0.519 56.996 57.345 0.282 0.000 2.332 270 W CB 0.038 29.721 29.460 0.372 0.000 2.200 270 W HN 0.506 nan 8.180 nan 0.000 0.530 271 T N -2.373 112.417 114.554 0.392 0.000 2.828 271 T HA 0.258 4.609 4.350 0.001 0.000 0.290 271 T C 1.081 175.892 174.700 0.184 0.000 1.019 271 T CA -0.313 61.991 62.100 0.340 0.000 1.031 271 T CB 0.885 69.945 68.868 0.319 0.000 1.001 271 T HN 0.190 nan 8.240 nan 0.000 0.531 272 M N -0.678 119.024 119.600 0.171 0.000 2.461 272 M HA -0.144 4.337 4.480 0.001 0.000 0.203 272 M C -0.124 176.133 176.300 -0.072 0.000 0.428 272 M CA 0.660 56.004 55.300 0.073 0.000 0.509 272 M CB -3.326 29.312 32.600 0.062 0.000 1.851 272 M HN 0.904 nan 8.290 nan 0.000 0.834 273 T N 0.632 115.127 114.554 -0.097 0.000 2.856 273 T HA 0.757 5.108 4.350 0.001 0.000 0.283 273 T C 0.631 174.989 174.700 -0.569 0.000 1.008 273 T CA -0.621 61.235 62.100 -0.408 0.000 0.997 273 T CB 2.207 70.693 68.868 -0.638 0.000 0.992 273 T HN 0.256 nan 8.240 nan 0.000 0.454 274 I N 2.744 122.994 120.570 -0.533 0.000 2.325 274 I HA 0.310 4.481 4.170 0.001 0.000 0.291 274 I C -0.659 175.098 176.117 -0.601 0.000 1.019 274 I CA -0.470 60.569 61.300 -0.434 0.000 1.302 274 I CB 0.653 38.547 38.000 -0.176 0.000 1.401 274 I HN 0.537 nan 8.210 nan 0.000 0.485 275 W N 4.174 125.081 121.300 -0.656 0.000 2.578 275 W HA 0.645 5.306 4.660 0.001 0.000 0.346 275 W C 0.420 176.294 176.519 -1.074 0.000 1.075 275 W CA -0.759 56.074 57.345 -0.853 0.000 1.233 275 W CB 1.766 30.640 29.460 -0.977 0.000 1.358 275 W HN 0.442 nan 8.180 nan 0.000 0.574 276 G N 2.280 110.419 108.800 -1.100 0.000 2.990 276 G HA2 0.604 4.564 3.960 0.001 0.000 0.300 276 G HA3 0.604 4.564 3.960 0.001 0.000 0.300 276 G C -0.948 173.412 174.900 -0.900 0.000 1.498 276 G CA -0.819 43.462 45.100 -1.365 0.000 1.074 276 G HN 0.383 nan 8.290 nan 0.000 0.542 277 R N 0.943 120.874 120.500 -0.949 0.000 2.732 277 R HA 0.371 4.712 4.340 0.001 0.000 0.278 277 R C -1.037 174.928 176.300 -0.557 0.000 0.976 277 R CA -0.906 54.727 56.100 -0.778 0.000 0.963 277 R CB 2.235 31.952 30.300 -0.971 0.000 1.150 277 R HN 0.552 nan 8.270 nan 0.000 0.478 278 D N 1.356 121.588 120.400 -0.280 0.000 2.348 278 D HA -0.010 4.631 4.640 0.001 0.000 0.253 278 D C 0.932 177.323 176.300 0.151 0.000 1.161 278 D CA -0.341 53.622 54.000 -0.062 0.000 0.876 278 D CB 0.960 41.712 40.800 -0.080 0.000 1.160 278 D HN 0.306 nan 8.370 nan 0.000 0.459 279 L N 4.048 125.488 121.223 0.361 0.000 2.042 279 L HA -0.128 4.212 4.340 0.001 0.000 0.210 279 L C 1.309 178.399 176.870 0.367 0.000 1.076 279 L CA 1.881 57.005 54.840 0.473 0.000 0.749 279 L CB -0.415 41.845 42.059 0.335 0.000 0.893 279 L HN 0.573 nan 8.230 nan 0.000 0.432 280 D N -1.351 119.180 120.400 0.220 0.000 2.123 280 D HA -0.122 4.518 4.640 0.001 0.000 0.200 280 D C 1.937 178.339 176.300 0.169 0.000 0.976 280 D CA 1.988 56.103 54.000 0.193 0.000 0.831 280 D CB -0.025 40.835 40.800 0.101 0.000 0.974 280 D HN 0.568 nan 8.370 nan 0.000 0.469 281 T N -3.764 110.741 114.554 -0.082 0.000 3.015 281 T HA 0.349 4.699 4.350 0.001 0.000 0.250 281 T C 1.742 175.797 174.700 -1.075 0.000 1.057 281 T CA 0.851 62.720 62.100 -0.385 0.000 1.066 281 T CB 0.904 69.621 68.868 -0.251 0.000 0.959 281 T HN 0.191 nan 8.240 nan 0.000 0.488 282 G N 1.891 110.081 108.800 -1.016 0.000 2.179 282 G HA2 -0.229 3.732 3.960 0.001 0.000 0.260 282 G HA3 -0.229 3.732 3.960 0.001 0.000 0.260 282 G C 0.155 174.567 174.900 -0.814 0.000 0.977 282 G CA 0.232 44.429 45.100 -1.504 0.000 0.641 282 G HN 0.480 nan 8.290 nan 0.000 0.533 283 M N 1.303 120.572 119.600 -0.552 0.000 2.238 283 M HA 0.526 5.007 4.480 0.001 0.000 0.350 283 M C 0.940 177.048 176.300 -0.320 0.000 1.321 283 M CA -0.307 54.768 55.300 -0.375 0.000 1.097 283 M CB 0.352 32.806 32.600 -0.244 0.000 1.713 283 M HN 0.638 nan 8.290 nan 0.000 0.455 284 A N 4.139 126.769 122.820 -0.316 0.000 2.409 284 A HA 0.159 4.480 4.320 0.001 0.000 0.267 284 A C 1.166 178.760 177.584 0.017 0.000 1.127 284 A CA -0.237 51.676 52.037 -0.208 0.000 0.795 284 A CB 0.185 19.080 19.000 -0.175 0.000 1.061 284 A HN 0.969 nan 8.150 nan 0.000 0.502 285 K N 2.397 122.794 120.400 -0.006 0.000 2.211 285 K HA 0.075 4.396 4.320 0.001 0.000 0.201 285 K C -0.071 176.724 176.600 0.325 0.000 1.052 285 K CA 0.736 57.109 56.287 0.144 0.000 0.973 285 K CB 0.162 32.723 32.500 0.102 0.000 0.766 285 K HN 0.880 nan 8.250 nan 0.000 0.466 286 W N -1.257 120.132 121.300 0.148 0.000 3.146 286 W HA 0.548 5.209 4.660 0.001 0.000 0.319 286 W C -1.394 175.156 176.519 0.053 0.000 1.258 286 W CA -1.026 56.291 57.345 -0.046 0.000 1.189 286 W CB 0.561 29.967 29.460 -0.090 0.000 1.412 286 W HN -0.030 nan 8.180 nan 0.000 0.567 287 G N 1.468 110.355 108.800 0.145 0.000 2.734 287 G HA2 0.486 4.447 3.960 0.001 0.000 0.293 287 G HA3 0.486 4.447 3.960 0.001 0.000 0.293 287 G C -2.963 171.900 174.900 -0.061 0.000 1.422 287 G CA -0.725 44.247 45.100 -0.213 0.000 1.177 287 G HN 0.641 nan 8.290 nan 0.000 0.565 288 Y N 2.174 122.329 120.300 -0.242 0.000 2.328 288 Y HA 0.567 5.118 4.550 0.001 0.000 0.333 288 Y C 0.199 175.873 175.900 -0.377 0.000 0.958 288 Y CA -0.928 56.913 58.100 -0.431 0.000 1.167 288 Y CB 1.832 39.961 38.460 -0.552 0.000 1.151 288 Y HN 0.525 nan 8.280 nan 0.000 0.470 289 Q N 6.197 125.517 119.800 -0.801 0.000 2.323 289 Q HA 0.163 4.504 4.340 0.001 0.000 0.257 289 Q C 0.332 175.712 176.000 -1.034 0.000 1.022 289 Q CA -0.038 55.359 55.803 -0.676 0.000 0.919 289 Q CB 0.945 29.426 28.738 -0.428 0.000 1.220 289 Q HN 0.901 nan 8.270 nan 0.000 0.427 290 K N 1.445 121.397 120.400 -0.747 0.000 2.031 290 K HA 0.002 4.323 4.320 0.001 0.000 0.205 290 K C 0.152 176.638 176.600 -0.189 0.000 1.049 290 K CA 1.072 57.045 56.287 -0.523 0.000 0.939 290 K CB 0.405 32.707 32.500 -0.330 0.000 0.717 290 K HN 0.407 nan 8.250 nan 0.000 0.438 291 T N 3.235 117.751 114.554 -0.063 0.000 3.155 291 T HA 0.275 4.626 4.350 0.001 0.000 0.384 291 T C -2.700 172.018 174.700 0.030 0.000 1.351 291 T CA -1.575 60.598 62.100 0.121 0.000 1.198 291 T CB 1.518 70.614 68.868 0.380 0.000 1.106 291 T HN -0.137 nan 8.240 nan 0.000 0.564 292 P HA 0.134 nan 4.420 nan 0.000 0.271 292 P C 0.008 177.313 177.300 0.007 0.000 1.216 292 P CA 0.036 63.081 63.100 -0.093 0.000 0.776 292 P CB 0.120 31.740 31.700 -0.134 0.000 0.881 293 H N 0.307 119.265 119.070 -0.187 0.000 2.514 293 H HA -0.259 4.298 4.556 0.001 0.000 0.318 293 H C -0.239 174.974 175.328 -0.192 0.000 0.994 293 H CA 0.280 56.199 56.048 -0.215 0.000 1.056 293 H CB -1.418 28.218 29.762 -0.209 0.000 1.621 293 H HN 0.356 nan 8.280 nan 0.000 0.360 294 D N 1.893 122.102 120.400 -0.319 0.000 2.488 294 D HA 0.029 4.670 4.640 0.001 0.000 0.238 294 D C 0.793 176.646 176.300 -0.745 0.000 1.138 294 D CA 0.832 54.642 54.000 -0.316 0.000 0.873 294 D CB 0.663 41.380 40.800 -0.137 0.000 1.183 294 D HN 0.754 nan 8.370 nan 0.000 0.458 295 E N 2.587 122.040 120.200 -1.246 0.000 2.676 295 E HA 0.126 4.477 4.350 0.001 0.000 0.222 295 E C -0.046 175.322 176.600 -2.053 0.000 0.968 295 E CA -0.264 55.147 56.400 -1.650 0.000 1.090 295 E CB 0.637 29.145 29.700 -1.986 0.000 1.066 295 E HN 0.632 nan 8.360 nan 0.000 0.496 296 W N 0.591 121.242 121.300 -1.082 0.000 2.055 296 W HA 0.164 4.825 4.660 0.001 0.000 0.293 296 W C -0.065 175.861 176.519 -0.988 0.000 0.886 296 W CA -0.470 56.002 57.345 -1.456 0.000 1.384 296 W CB 0.443 28.753 29.460 -1.916 0.000 1.068 296 W HN 0.063 nan 8.180 nan 0.000 0.513 297 D N 1.180 121.261 120.400 -0.531 0.000 2.718 297 D HA -0.250 4.391 4.640 0.001 0.000 0.242 297 D C -0.397 175.913 176.300 0.018 0.000 1.123 297 D CA 0.663 54.423 54.000 -0.399 0.000 0.690 297 D CB -1.765 38.456 40.800 -0.966 0.000 1.059 297 D HN 0.251 nan 8.370 nan 0.000 0.429 298 F N 0.296 120.313 119.950 0.111 0.000 2.871 298 F HA 0.443 4.971 4.527 0.001 0.000 0.317 298 F C 1.650 177.559 175.800 0.181 0.000 1.193 298 F CA -0.670 57.421 58.000 0.152 0.000 1.311 298 F CB -0.157 38.925 39.000 0.138 0.000 1.380 298 F HN 0.264 nan 8.300 nan 0.000 0.557 299 A N 1.010 124.070 122.820 0.400 0.000 2.567 299 A HA 0.021 4.342 4.320 0.001 0.000 0.263 299 A C 1.357 179.103 177.584 0.270 0.000 1.030 299 A CA 0.649 52.914 52.037 0.379 0.000 0.833 299 A CB -0.333 19.021 19.000 0.588 0.000 0.924 299 A HN 0.720 nan 8.150 nan 0.000 0.518 300 G N 1.836 110.761 108.800 0.209 0.000 3.530 300 G HA2 0.328 4.288 3.960 0.001 0.000 0.269 300 G HA3 0.328 4.288 3.960 0.001 0.000 0.269 300 G C 0.733 175.686 174.900 0.088 0.000 1.314 300 G CA 0.515 45.713 45.100 0.163 0.000 1.441 300 G HN 1.632 nan 8.290 nan 0.000 0.595 301 V N -2.765 117.113 119.914 -0.061 0.000 3.647 301 V HA 0.211 4.332 4.120 0.001 0.000 0.279 301 V C 0.728 176.756 176.094 -0.109 0.000 1.314 301 V CA -0.936 61.220 62.300 -0.240 0.000 1.125 301 V CB -1.222 30.093 31.823 -0.846 0.000 0.907 301 V HN 0.326 nan 8.190 nan 0.000 0.434 302 N N 1.864 120.628 118.700 0.106 0.000 2.307 302 N HA 0.000 4.741 4.740 0.001 0.000 0.230 302 N C 0.154 175.850 175.510 0.309 0.000 1.297 302 N CA 0.069 53.215 53.050 0.159 0.000 0.884 302 N CB 0.220 38.646 38.487 -0.101 0.000 1.115 302 N HN 0.599 nan 8.380 nan 0.000 0.436 303 Q N 1.145 121.111 119.800 0.277 0.000 2.326 303 Q HA -0.098 4.243 4.340 0.001 0.000 0.314 303 Q C -0.944 175.209 176.000 0.254 0.000 1.091 303 Q CA 0.310 56.261 55.803 0.246 0.000 0.974 303 Q CB 0.470 29.241 28.738 0.055 0.000 1.220 303 Q HN 0.360 nan 8.270 nan 0.000 0.398 304 M N 4.104 123.818 119.600 0.191 0.000 2.205 304 M HA 0.346 4.827 4.480 0.001 0.000 0.344 304 M C -1.065 175.280 176.300 0.075 0.000 1.085 304 M CA -0.683 54.683 55.300 0.110 0.000 1.001 304 M CB 1.484 34.133 32.600 0.082 0.000 1.626 304 M HN 0.344 nan 8.290 nan 0.000 0.442 305 V N 5.487 125.404 119.914 0.005 0.000 2.378 305 V HA 0.493 4.614 4.120 0.001 0.000 0.288 305 V C -0.109 175.898 176.094 -0.146 0.000 1.016 305 V CA -0.686 61.597 62.300 -0.029 0.000 0.840 305 V CB 1.796 33.591 31.823 -0.047 0.000 0.994 305 V HN 0.694 nan 8.190 nan 0.000 0.431 306 L N 5.603 126.730 121.223 -0.160 0.000 2.275 306 L HA 0.782 5.123 4.340 0.001 0.000 0.288 306 L C 0.377 177.038 176.870 -0.348 0.000 1.046 306 L CA -0.090 54.535 54.840 -0.358 0.000 0.805 306 L CB 1.628 43.333 42.059 -0.590 0.000 1.193 306 L HN 0.824 nan 8.230 nan 0.000 0.426 307 T N -1.917 112.425 114.554 -0.354 0.000 2.864 307 T HA 0.511 4.862 4.350 0.001 0.000 0.299 307 T C -1.144 173.454 174.700 -0.169 0.000 1.166 307 T CA -0.960 60.978 62.100 -0.270 0.000 1.007 307 T CB 2.521 71.072 68.868 -0.529 0.000 1.219 307 T HN 0.290 nan 8.240 nan 0.000 0.506 308 D N 1.791 122.172 120.400 -0.033 0.000 2.462 308 D HA 0.454 5.095 4.640 0.001 0.000 0.245 308 D C -0.390 175.928 176.300 0.031 0.000 1.122 308 D CA -0.225 53.775 54.000 -0.001 0.000 0.864 308 D CB 1.531 42.369 40.800 0.063 0.000 1.098 308 D HN 0.561 nan 8.370 nan 0.000 0.541 309 Q N 1.484 121.284 119.800 -0.000 0.000 2.456 309 Q HA 0.493 4.834 4.340 0.001 0.000 0.283 309 Q C -2.651 173.350 176.000 0.002 0.000 1.084 309 Q CA -2.148 53.669 55.803 0.023 0.000 0.801 309 Q CB 3.162 31.917 28.738 0.027 0.000 1.434 309 Q HN 0.167 nan 8.270 nan 0.000 0.419 310 P HA 0.092 nan 4.420 nan 0.000 0.276 310 P C -0.778 176.514 177.300 -0.014 0.000 1.243 310 P CA -0.071 63.029 63.100 -0.001 0.000 0.768 310 P CB 0.752 32.456 31.700 0.007 0.000 0.856 311 V N 5.022 124.922 119.914 -0.025 0.000 2.304 311 V HA 0.243 4.364 4.120 0.001 0.000 0.278 311 V C 0.703 176.778 176.094 -0.031 0.000 1.018 311 V CA -0.484 61.795 62.300 -0.034 0.000 0.814 311 V CB -0.262 31.531 31.823 -0.050 0.000 1.021 311 V HN 0.700 nan 8.190 nan 0.000 0.440 312 N N 3.913 122.597 118.700 -0.026 0.000 2.783 312 N HA -0.201 4.539 4.740 0.001 0.000 0.247 312 N C 1.112 176.612 175.510 -0.018 0.000 1.089 312 N CA 0.342 53.378 53.050 -0.023 0.000 0.690 312 N CB -0.870 37.600 38.487 -0.029 0.000 0.991 312 N HN 1.271 nan 8.380 nan 0.000 0.552 313 G N 0.167 108.960 108.800 -0.013 0.000 2.189 313 G HA2 -0.388 3.573 3.960 0.001 0.000 0.267 313 G HA3 -0.388 3.573 3.960 0.001 0.000 0.267 313 G C 0.006 174.902 174.900 -0.008 0.000 0.975 313 G CA 1.073 46.168 45.100 -0.008 0.000 0.644 313 G HN 0.563 nan 8.290 nan 0.000 0.537 314 K N 0.185 120.577 120.400 -0.013 0.000 2.265 314 K HA 0.646 4.967 4.320 0.001 0.000 0.267 314 K C 0.505 177.097 176.600 -0.014 0.000 0.994 314 K CA -1.148 55.131 56.287 -0.014 0.000 0.860 314 K CB 0.589 33.076 32.500 -0.021 0.000 1.099 314 K HN 0.054 nan 8.250 nan 0.000 0.448 315 M N 3.351 122.948 119.600 -0.005 0.000 2.284 315 M HA 0.043 4.524 4.480 0.001 0.000 0.351 315 M C -1.126 175.166 176.300 -0.014 0.000 1.443 315 M CA 1.204 56.504 55.300 -0.001 0.000 1.031 315 M CB 0.333 32.940 32.600 0.012 0.000 1.893 315 M HN 0.571 nan 8.290 nan 0.000 0.456 316 T N 7.631 122.170 114.554 -0.025 0.000 2.893 316 T HA 0.590 4.941 4.350 0.001 0.000 0.293 316 T C -2.773 171.891 174.700 -0.059 0.000 1.027 316 T CA -1.036 61.037 62.100 -0.045 0.000 0.988 316 T CB 1.787 70.618 68.868 -0.062 0.000 1.043 316 T HN 0.492 nan 8.240 nan 0.000 0.461 317 P HA 0.363 nan 4.420 nan 0.000 0.279 317 P C -0.888 176.327 177.300 -0.141 0.000 1.318 317 P CA -0.286 62.757 63.100 -0.095 0.000 0.819 317 P CB 0.386 32.048 31.700 -0.063 0.000 0.927 318 L N 3.818 124.934 121.223 -0.177 0.000 2.331 318 L HA 0.649 4.990 4.340 0.001 0.000 0.268 318 L C 0.339 177.051 176.870 -0.263 0.000 1.015 318 L CA -1.260 53.459 54.840 -0.202 0.000 0.807 318 L CB 1.711 43.664 42.059 -0.177 0.000 1.293 318 L HN 0.254 nan 8.230 nan 0.000 0.451 319 L N 0.296 121.377 121.223 -0.235 0.000 2.439 319 L HA 0.541 4.882 4.340 0.001 0.000 0.270 319 L C -1.090 175.691 176.870 -0.149 0.000 0.972 319 L CA 0.135 54.830 54.840 -0.241 0.000 0.836 319 L CB 1.944 43.846 42.059 -0.262 0.000 1.255 319 L HN 0.562 nan 8.230 nan 0.000 0.404 320 S N 3.336 118.961 115.700 -0.126 0.000 2.532 320 S HA 0.635 5.106 4.470 0.001 0.000 0.301 320 S C -1.452 173.166 174.600 0.030 0.000 1.083 320 S CA -0.491 57.667 58.200 -0.071 0.000 1.025 320 S CB 1.327 64.448 63.200 -0.132 0.000 1.056 320 S HN 0.734 nan 8.310 nan 0.000 0.494 321 H N 1.699 120.723 119.070 -0.076 0.000 3.087 321 H HA 0.388 4.945 4.556 0.001 0.000 0.348 321 H C -1.864 173.422 175.328 -0.070 0.000 1.092 321 H CA -0.536 55.471 56.048 -0.069 0.000 1.285 321 H CB 0.803 30.551 29.762 -0.023 0.000 1.875 321 H HN 0.528 nan 8.280 nan 0.000 0.512 322 I N 4.670 124.893 120.570 -0.578 0.000 2.330 322 I HA 0.070 4.241 4.170 0.001 0.000 0.286 322 I C 0.058 175.737 176.117 -0.731 0.000 1.025 322 I CA -0.371 60.590 61.300 -0.566 0.000 1.197 322 I CB 1.210 38.892 38.000 -0.530 0.000 1.358 322 I HN 0.559 nan 8.210 nan 0.000 0.467 323 D N 4.426 124.556 120.400 -0.450 0.000 2.383 323 D HA 0.204 4.845 4.640 0.001 0.000 0.248 323 D C 1.374 177.578 176.300 -0.161 0.000 1.170 323 D CA -0.397 53.435 54.000 -0.279 0.000 0.977 323 D CB 1.220 42.065 40.800 0.074 0.000 1.120 323 D HN 0.284 nan 8.370 nan 0.000 0.481 324 R N 0.897 121.352 120.500 -0.074 0.000 2.127 324 R HA -0.140 4.201 4.340 0.001 0.000 0.238 324 R C 1.327 177.292 176.300 -0.559 0.000 1.134 324 R CA 1.103 57.158 56.100 -0.076 0.000 0.975 324 R CB -0.869 29.534 30.300 0.172 0.000 0.865 324 R HN 0.600 nan 8.270 nan 0.000 0.447 325 N N -0.020 118.222 118.700 -0.764 0.000 2.609 325 N HA -0.063 4.678 4.740 0.001 0.000 0.190 325 N C 1.008 175.971 175.510 -0.913 0.000 1.157 325 N CA 1.160 53.362 53.050 -1.413 0.000 0.918 325 N CB -0.151 37.927 38.487 -0.682 0.000 0.978 325 N HN 0.298 nan 8.380 nan 0.000 0.448 326 G N -0.959 107.522 108.800 -0.532 0.000 2.157 326 G HA2 -0.207 3.754 3.960 0.001 0.000 0.248 326 G HA3 -0.207 3.754 3.960 0.001 0.000 0.248 326 G C -0.380 174.369 174.900 -0.252 0.000 0.979 326 G CA 0.234 45.134 45.100 -0.333 0.000 0.650 326 G HN 0.307 nan 8.290 nan 0.000 0.529 327 I N 0.857 121.257 120.570 -0.283 0.000 2.392 327 I HA 0.494 4.665 4.170 0.001 0.000 0.295 327 I C 0.514 176.327 176.117 -0.507 0.000 0.985 327 I CA -1.228 59.822 61.300 -0.418 0.000 1.221 327 I CB 1.525 39.172 38.000 -0.589 0.000 1.366 327 I HN 0.158 nan 8.210 nan 0.000 0.467 328 L N 7.442 128.344 121.223 -0.535 0.000 2.257 328 L HA 0.393 4.734 4.340 0.001 0.000 0.290 328 L C -1.313 175.282 176.870 -0.457 0.000 1.044 328 L CA -0.357 54.199 54.840 -0.473 0.000 0.810 328 L CB 0.418 42.127 42.059 -0.582 0.000 1.193 328 L HN 0.380 nan 8.230 nan 0.000 0.425 329 Y N 2.771 122.980 120.300 -0.152 0.000 2.360 329 Y HA 0.505 5.055 4.550 0.001 0.000 0.337 329 Y C 0.242 176.067 175.900 -0.124 0.000 1.039 329 Y CA -0.636 57.401 58.100 -0.105 0.000 1.109 329 Y CB 2.217 40.669 38.460 -0.012 0.000 1.201 329 Y HN 0.401 nan 8.280 nan 0.000 0.458 330 T N 4.997 119.550 114.554 -0.002 0.000 2.949 330 T HA 0.604 4.955 4.350 0.001 0.000 0.300 330 T C -1.025 173.606 174.700 -0.114 0.000 0.988 330 T CA -0.533 61.522 62.100 -0.076 0.000 0.993 330 T CB 0.457 69.259 68.868 -0.109 0.000 0.984 330 T HN 0.229 nan 8.240 nan 0.000 0.442 331 L N 2.504 123.637 121.223 -0.150 0.000 2.279 331 L HA 0.610 4.950 4.340 0.001 0.000 0.262 331 L C 0.409 177.129 176.870 -0.250 0.000 1.019 331 L CA -1.018 53.681 54.840 -0.235 0.000 0.823 331 L CB 0.999 42.863 42.059 -0.325 0.000 1.358 331 L HN 0.453 nan 8.230 nan 0.000 0.432 332 N N 1.067 119.581 118.700 -0.309 0.000 2.411 332 N HA 0.082 4.823 4.740 0.001 0.000 0.259 332 N C 0.765 176.086 175.510 -0.316 0.000 1.103 332 N CA -0.246 52.643 53.050 -0.269 0.000 0.954 332 N CB 0.993 39.326 38.487 -0.257 0.000 1.085 332 N HN 0.672 nan 8.380 nan 0.000 0.485 333 R N 2.580 122.981 120.500 -0.166 0.000 2.339 333 R HA 0.030 4.371 4.340 0.001 0.000 0.199 333 R C 0.784 177.271 176.300 0.313 0.000 1.018 333 R CA 0.851 56.987 56.100 0.060 0.000 1.036 333 R CB 0.138 30.332 30.300 -0.178 0.000 0.899 333 R HN 0.568 nan 8.270 nan 0.000 0.473 334 E N 1.424 121.658 120.200 0.056 0.000 2.075 334 E HA -0.065 4.285 4.350 0.001 0.000 0.190 334 E C 1.131 177.739 176.600 0.013 0.000 0.969 334 E CA 1.286 57.748 56.400 0.104 0.000 0.815 334 E CB 0.145 29.852 29.700 0.012 0.000 0.776 334 E HN 0.745 nan 8.360 nan 0.000 0.457 335 N N -1.764 116.763 118.700 -0.289 0.000 2.227 335 N HA 0.089 4.830 4.740 0.001 0.000 0.196 335 N C 1.079 176.034 175.510 -0.925 0.000 1.142 335 N CA 0.528 53.325 53.050 -0.421 0.000 0.887 335 N CB 1.525 39.856 38.487 -0.260 0.000 1.022 335 N HN 0.133 nan 8.380 nan 0.000 0.500 336 G N 1.145 109.113 108.800 -1.387 0.000 2.141 336 G HA2 -0.246 3.715 3.960 0.001 0.000 0.242 336 G HA3 -0.246 3.715 3.960 0.001 0.000 0.242 336 G C -0.641 173.859 174.900 -0.666 0.000 0.982 336 G CA -0.396 43.726 45.100 -1.631 0.000 0.662 336 G HN 0.359 nan 8.290 nan 0.000 0.527 337 N N 0.093 118.500 118.700 -0.489 0.000 2.458 337 N HA 0.307 5.047 4.740 0.001 0.000 0.258 337 N C 0.279 175.636 175.510 -0.255 0.000 1.219 337 N CA -0.180 52.695 53.050 -0.292 0.000 0.902 337 N CB 1.160 39.505 38.487 -0.236 0.000 1.076 337 N HN 0.334 nan 8.380 nan 0.000 0.455 338 L N 3.538 124.662 121.223 -0.166 0.000 2.313 338 L HA 0.248 4.589 4.340 0.001 0.000 0.282 338 L C 0.773 177.557 176.870 -0.144 0.000 1.092 338 L CA 0.480 55.195 54.840 -0.209 0.000 0.831 338 L CB 0.181 42.106 42.059 -0.223 0.000 1.159 338 L HN 0.594 nan 8.230 nan 0.000 0.442 339 I N 4.166 124.650 120.570 -0.143 0.000 3.565 339 I HA 0.166 4.336 4.170 0.001 0.000 0.287 339 I C -0.272 175.785 176.117 -0.099 0.000 1.193 339 I CA 0.226 61.458 61.300 -0.113 0.000 1.402 339 I CB 0.498 38.428 38.000 -0.117 0.000 1.284 339 I HN 0.294 nan 8.210 nan 0.000 0.454 340 V N 0.865 120.716 119.914 -0.106 0.000 2.841 340 V HA 0.768 4.889 4.120 0.001 0.000 0.310 340 V C -0.757 175.252 176.094 -0.142 0.000 1.090 340 V CA -0.659 61.572 62.300 -0.115 0.000 0.930 340 V CB 1.850 33.600 31.823 -0.122 0.000 1.014 340 V HN 0.195 nan 8.190 nan 0.000 0.425 341 A N 2.874 125.582 122.820 -0.187 0.000 3.124 341 A HA 0.662 4.983 4.320 0.001 0.000 0.295 341 A C -0.664 176.751 177.584 -0.282 0.000 1.199 341 A CA -0.497 51.347 52.037 -0.321 0.000 0.845 341 A CB 0.421 19.300 19.000 -0.203 0.000 1.381 341 A HN 0.611 nan 8.150 nan 0.000 0.537 342 E N 1.092 121.114 120.200 -0.297 0.000 2.221 342 E HA 0.354 4.705 4.350 0.001 0.000 0.268 342 E C -0.639 175.823 176.600 -0.230 0.000 0.933 342 E CA -0.641 55.633 56.400 -0.210 0.000 0.809 342 E CB 1.775 31.382 29.700 -0.155 0.000 1.190 342 E HN 0.539 nan 8.360 nan 0.000 0.406 343 K N 0.899 121.215 120.400 -0.139 0.000 2.368 343 K HA 0.061 4.382 4.320 0.001 0.000 0.282 343 K C 1.362 177.930 176.600 -0.052 0.000 1.035 343 K CA -0.116 56.108 56.287 -0.105 0.000 0.973 343 K CB 0.794 33.263 32.500 -0.051 0.000 0.957 343 K HN 0.297 nan 8.250 nan 0.000 0.474 344 V N -1.424 118.470 119.914 -0.034 0.000 2.970 344 V HA -0.027 4.094 4.120 0.001 0.000 0.260 344 V C 0.530 176.749 176.094 0.209 0.000 1.100 344 V CA 1.003 63.348 62.300 0.076 0.000 1.122 344 V CB -0.311 31.540 31.823 0.047 0.000 0.721 344 V HN 0.783 nan 8.190 nan 0.000 0.483 345 D N 0.000 120.514 120.400 0.191 0.000 2.927 345 D HA 0.270 4.910 4.640 0.001 0.000 0.219 345 D C -2.487 173.926 176.300 0.189 0.000 1.248 345 D CA -1.119 52.994 54.000 0.188 0.000 0.861 345 D CB 2.643 43.567 40.800 0.207 0.000 1.677 345 D HN -0.011 nan 8.370 nan 0.000 0.511 346 P HA -0.038 nan 4.420 nan 0.000 0.228 346 P C 0.959 178.320 177.300 0.101 0.000 1.151 346 P CA 0.400 63.558 63.100 0.097 0.000 0.770 346 P CB 0.180 31.928 31.700 0.079 0.000 0.786 347 A N 0.076 123.020 122.820 0.207 0.000 2.119 347 A HA 0.028 4.349 4.320 0.001 0.000 0.217 347 A C 1.202 178.785 177.584 -0.001 0.000 1.153 347 A CA 0.280 52.422 52.037 0.176 0.000 0.692 347 A CB -1.022 18.192 19.000 0.355 0.000 0.799 347 A HN 0.075 nan 8.150 nan 0.000 0.458 348 V N 2.437 122.323 119.914 -0.046 0.000 2.475 348 V HA -0.032 4.089 4.120 0.001 0.000 0.292 348 V C 0.936 176.817 176.094 -0.356 0.000 1.003 348 V CA 1.017 63.108 62.300 -0.349 0.000 1.120 348 V CB -0.210 31.411 31.823 -0.338 0.000 0.937 348 V HN 0.852 nan 8.190 nan 0.000 0.476 349 N N 3.441 121.824 118.700 -0.529 0.000 2.159 349 N HA -0.034 4.707 4.740 0.001 0.000 0.217 349 N C 0.965 176.169 175.510 -0.510 0.000 1.223 349 N CA 0.506 53.202 53.050 -0.591 0.000 0.896 349 N CB 0.151 37.980 38.487 -1.096 0.000 1.064 349 N HN 0.444 nan 8.380 nan 0.000 0.518 350 V N -2.481 117.060 119.914 -0.622 0.000 2.594 350 V HA 0.235 4.356 4.120 0.001 0.000 0.253 350 V C 0.320 176.261 176.094 -0.256 0.000 1.069 350 V CA 0.759 62.685 62.300 -0.624 0.000 1.082 350 V CB -1.013 29.936 31.823 -1.458 0.000 0.680 350 V HN 0.101 nan 8.190 nan 0.000 0.469 351 F N -0.729 119.101 119.950 -0.199 0.000 2.551 351 F HA 0.537 5.065 4.527 0.001 0.000 0.316 351 F C 1.193 176.948 175.800 -0.074 0.000 1.089 351 F CA -1.201 56.739 58.000 -0.100 0.000 0.915 351 F CB 2.230 41.159 39.000 -0.119 0.000 1.186 351 F HN -0.320 nan 8.300 nan 0.000 0.456 352 K N 1.170 121.677 120.400 0.177 0.000 2.155 352 K HA -0.030 4.290 4.320 0.001 0.000 0.203 352 K C -0.043 176.596 176.600 0.066 0.000 1.052 352 K CA 1.108 57.450 56.287 0.092 0.000 0.948 352 K CB 0.258 32.806 32.500 0.080 0.000 0.728 352 K HN 0.667 nan 8.250 nan 0.000 0.448 353 K N -2.365 118.081 120.400 0.077 0.000 3.073 353 K HA 0.183 4.504 4.320 0.001 0.000 0.300 353 K C -1.575 175.019 176.600 -0.010 0.000 1.082 353 K CA -0.904 55.402 56.287 0.032 0.000 0.803 353 K CB 0.983 33.486 32.500 0.004 0.000 1.488 353 K HN -0.254 nan 8.250 nan 0.000 0.372 354 V N 1.778 121.672 119.914 -0.035 0.000 2.357 354 V HA 0.212 4.332 4.120 0.001 0.000 0.284 354 V C -0.688 175.393 176.094 -0.023 0.000 1.018 354 V CA -0.515 61.754 62.300 -0.051 0.000 0.841 354 V CB 1.270 33.075 31.823 -0.031 0.000 0.991 354 V HN 0.735 nan 8.190 nan 0.000 0.437 355 D N 4.315 124.706 120.400 -0.015 0.000 2.358 355 D HA 0.114 4.755 4.640 0.001 0.000 0.258 355 D C 1.051 177.367 176.300 0.028 0.000 1.223 355 D CA -0.097 53.904 54.000 0.002 0.000 0.886 355 D CB 1.350 42.152 40.800 0.004 0.000 1.120 355 D HN 0.472 nan 8.370 nan 0.000 0.482 356 L N 3.749 124.978 121.223 0.011 0.000 2.275 356 L HA -0.145 4.196 4.340 0.001 0.000 0.215 356 L C 2.333 179.231 176.870 0.046 0.000 1.119 356 L CA 0.899 55.750 54.840 0.018 0.000 0.790 356 L CB -0.042 42.007 42.059 -0.016 0.000 0.919 356 L HN 0.342 nan 8.230 nan 0.000 0.443 357 K N -0.608 119.808 120.400 0.026 0.000 2.099 357 K HA -0.047 4.274 4.320 0.001 0.000 0.203 357 K C 2.143 178.770 176.600 0.045 0.000 1.047 357 K CA 1.596 57.882 56.287 -0.001 0.000 0.963 357 K CB -0.114 32.362 32.500 -0.039 0.000 0.759 357 K HN 0.323 nan 8.250 nan 0.000 0.451 358 T N -2.204 112.398 114.554 0.079 0.000 3.023 358 T HA 0.062 4.413 4.350 0.001 0.000 0.266 358 T C 1.548 176.408 174.700 0.267 0.000 1.093 358 T CA 0.791 62.973 62.100 0.137 0.000 1.129 358 T CB -0.051 68.856 68.868 0.064 0.000 0.899 358 T HN 0.367 nan 8.240 nan 0.000 0.491 359 G N 1.597 110.540 108.800 0.239 0.000 2.155 359 G HA2 -0.233 3.728 3.960 0.001 0.000 0.257 359 G HA3 -0.233 3.728 3.960 0.001 0.000 0.257 359 G C 0.240 175.266 174.900 0.210 0.000 0.983 359 G CA 0.700 45.974 45.100 0.291 0.000 0.676 359 G HN 1.265 nan 8.290 nan 0.000 0.528 360 T N -2.344 112.259 114.554 0.081 0.000 2.924 360 T HA 0.733 5.083 4.350 0.001 0.000 0.291 360 T C -3.184 171.446 174.700 -0.117 0.000 1.045 360 T CA -2.028 60.048 62.100 -0.040 0.000 1.015 360 T CB 3.347 72.175 68.868 -0.066 0.000 1.103 360 T HN -0.012 nan 8.240 nan 0.000 0.496 361 P HA 0.339 nan 4.420 nan 0.000 0.276 361 P C -0.695 176.417 177.300 -0.314 0.000 1.230 361 P CA -0.583 62.204 63.100 -0.522 0.000 0.776 361 P CB 0.565 31.391 31.700 -1.456 0.000 0.888 362 V N 5.159 124.973 119.914 -0.168 0.000 2.356 362 V HA 0.160 4.281 4.120 0.001 0.000 0.258 362 V C 0.931 177.052 176.094 0.044 0.000 1.065 362 V CA -0.230 62.046 62.300 -0.040 0.000 0.935 362 V CB -0.632 31.192 31.823 0.002 0.000 1.061 362 V HN 0.472 nan 8.190 nan 0.000 0.484 363 R N 2.873 123.422 120.500 0.080 0.000 2.594 363 R HA 0.270 4.611 4.340 0.001 0.000 0.272 363 R C -0.197 176.235 176.300 0.221 0.000 1.074 363 R CA -0.380 55.867 56.100 0.246 0.000 1.105 363 R CB 0.604 31.056 30.300 0.254 0.000 1.008 363 R HN 0.583 nan 8.270 nan 0.000 0.472 364 D N 2.764 123.334 120.400 0.284 0.000 2.441 364 D HA 0.201 4.842 4.640 0.001 0.000 0.231 364 D C -1.855 174.585 176.300 0.233 0.000 1.073 364 D CA -2.608 51.538 54.000 0.245 0.000 0.850 364 D CB 1.722 42.713 40.800 0.318 0.000 1.062 364 D HN 0.148 nan 8.370 nan 0.000 0.524 365 P HA -0.153 nan 4.420 nan 0.000 0.217 365 P C 1.049 178.351 177.300 0.004 0.000 1.148 365 P CA 0.859 64.002 63.100 0.072 0.000 0.834 365 P CB 0.376 32.089 31.700 0.022 0.000 0.783 366 E N -1.482 118.667 120.200 -0.086 0.000 2.204 366 E HA -0.135 4.216 4.350 0.001 0.000 0.195 366 E C 0.323 176.582 176.600 -0.569 0.000 0.990 366 E CA 0.781 56.951 56.400 -0.383 0.000 0.821 366 E CB -0.184 29.144 29.700 -0.621 0.000 0.750 366 E HN 0.290 nan 8.360 nan 0.000 0.477 367 F N -0.282 119.749 119.950 0.136 0.000 2.791 367 F HA 0.390 4.917 4.527 0.001 0.000 0.308 367 F C 0.343 176.322 175.800 0.297 0.000 1.138 367 F CA -0.653 57.442 58.000 0.157 0.000 1.294 367 F CB 0.673 39.703 39.000 0.051 0.000 0.975 367 F HN -0.064 nan 8.300 nan 0.000 0.512 368 A N 0.318 123.339 122.820 0.335 0.000 2.242 368 A HA 0.761 5.081 4.320 0.001 0.000 0.304 368 A C 0.389 178.018 177.584 0.074 0.000 1.100 368 A CA -0.167 52.033 52.037 0.271 0.000 0.860 368 A CB 0.353 19.439 19.000 0.144 0.000 1.168 368 A HN 0.229 nan 8.150 nan 0.000 0.503 369 T N -1.374 113.043 114.554 -0.228 0.000 2.924 369 T HA 0.835 5.186 4.350 0.001 0.000 0.291 369 T C -0.601 174.051 174.700 -0.080 0.000 1.045 369 T CA -0.844 61.124 62.100 -0.220 0.000 1.015 369 T CB 1.386 69.792 68.868 -0.771 0.000 1.103 369 T HN 1.237 nan 8.240 nan 0.000 0.496 370 R N 1.082 121.640 120.500 0.095 0.000 2.824 370 R HA 0.350 4.691 4.340 0.001 0.000 0.267 370 R C -0.928 175.473 176.300 0.169 0.000 1.035 370 R CA -1.133 55.027 56.100 0.100 0.000 0.887 370 R CB 0.579 30.913 30.300 0.056 0.000 1.262 370 R HN 0.474 nan 8.270 nan 0.000 0.487 371 M N 1.972 121.650 119.600 0.130 0.000 2.247 371 M HA 0.019 4.500 4.480 0.001 0.000 0.318 371 M C -0.065 176.326 176.300 0.151 0.000 1.054 371 M CA 1.321 56.703 55.300 0.136 0.000 1.117 371 M CB -0.564 32.097 32.600 0.101 0.000 1.515 371 M HN 0.808 nan 8.290 nan 0.000 0.442 372 D N 1.168 121.658 120.400 0.150 0.000 2.751 372 D HA -0.235 4.406 4.640 0.001 0.000 0.233 372 D C -0.370 176.053 176.300 0.206 0.000 1.149 372 D CA 1.133 55.219 54.000 0.144 0.000 0.682 372 D CB -1.494 39.370 40.800 0.107 0.000 1.068 372 D HN 0.777 nan 8.370 nan 0.000 0.429 373 H N -0.410 118.717 119.070 0.095 0.000 3.112 373 H HA 0.400 4.956 4.556 0.001 0.000 0.347 373 H C -1.375 174.032 175.328 0.131 0.000 1.188 373 H CA -0.802 55.301 56.048 0.092 0.000 1.240 373 H CB 1.298 31.102 29.762 0.070 0.000 1.920 373 H HN -0.050 nan 8.280 nan 0.000 0.535 374 K N 3.641 123.731 120.400 -0.517 0.000 2.334 374 K HA 0.498 4.819 4.320 0.001 0.000 0.265 374 K C -0.291 176.010 176.600 -0.498 0.000 1.039 374 K CA -0.614 55.494 56.287 -0.298 0.000 0.920 374 K CB 0.635 33.078 32.500 -0.096 0.000 1.160 374 K HN 0.768 nan 8.250 nan 0.000 0.451 375 G N 2.332 111.020 108.800 -0.186 0.000 2.390 375 G HA2 0.269 4.230 3.960 0.001 0.000 0.270 375 G HA3 0.269 4.230 3.960 0.001 0.000 0.270 375 G C -0.310 174.670 174.900 0.133 0.000 1.211 375 G CA -0.280 44.825 45.100 0.008 0.000 0.842 375 G HN 0.639 nan 8.290 nan 0.000 0.519 376 T N -0.575 114.077 114.554 0.164 0.000 2.916 376 T HA 0.430 4.780 4.350 0.001 0.000 0.292 376 T C 0.298 175.201 174.700 0.339 0.000 1.055 376 T CA -0.895 61.346 62.100 0.235 0.000 1.009 376 T CB 1.638 70.607 68.868 0.168 0.000 1.118 376 T HN 0.555 nan 8.240 nan 0.000 0.497 377 N N 0.301 119.234 118.700 0.388 0.000 2.721 377 N HA -0.132 4.608 4.740 0.001 0.000 0.249 377 N C -0.600 175.093 175.510 0.306 0.000 1.072 377 N CA 0.444 53.729 53.050 0.391 0.000 0.710 377 N CB -1.264 37.436 38.487 0.354 0.000 0.993 377 N HN 0.755 nan 8.380 nan 0.000 0.547 378 I N 0.681 121.403 120.570 0.254 0.000 2.416 378 I HA 0.123 4.294 4.170 0.001 0.000 0.288 378 I C 0.563 176.625 176.117 -0.093 0.000 1.051 378 I CA -0.171 61.194 61.300 0.108 0.000 1.375 378 I CB 0.923 39.031 38.000 0.179 0.000 1.407 378 I HN 0.069 nan 8.210 nan 0.000 0.516 379 c N 7.319 125.736 118.600 -0.304 0.000 2.441 379 c HA 0.487 5.058 4.570 0.001 0.000 0.318 379 c C -2.320 171.344 174.090 -0.711 0.000 1.222 379 c CA -1.400 54.682 56.329 -0.412 0.000 1.474 379 c CB 1.707 44.032 42.510 -0.307 0.000 2.125 379 c HN 0.454 nan 8.230 nan 0.000 0.479 380 P HA 0.274 nan 4.420 nan 0.000 0.276 380 P C -0.136 177.115 177.300 -0.083 0.000 1.261 380 P CA -0.091 62.562 63.100 -0.745 0.000 0.800 380 P CB 0.605 31.714 31.700 -0.987 0.000 1.066 381 S N -0.074 115.669 115.700 0.072 0.000 2.661 381 S HA 0.389 4.860 4.470 0.001 0.000 0.265 381 S C 1.426 176.226 174.600 0.334 0.000 1.225 381 S CA 0.115 58.414 58.200 0.165 0.000 0.986 381 S CB -0.173 63.079 63.200 0.087 0.000 1.008 381 S HN 0.438 nan 8.310 nan 0.000 0.565 382 A N 0.181 123.209 122.820 0.347 0.000 2.070 382 A HA -0.002 4.318 4.320 0.001 0.000 0.220 382 A C 2.109 179.999 177.584 0.511 0.000 1.159 382 A CA 1.295 53.584 52.037 0.420 0.000 0.656 382 A CB -0.997 18.281 19.000 0.463 0.000 0.800 382 A HN 0.821 nan 8.150 nan 0.000 0.453 383 M N -0.875 118.897 119.600 0.287 0.000 2.562 383 M HA 0.160 4.640 4.480 0.001 0.000 0.257 383 M C 1.194 177.753 176.300 0.431 0.000 1.099 383 M CA 0.700 56.186 55.300 0.310 0.000 1.099 383 M CB -0.432 32.223 32.600 0.091 0.000 1.427 383 M HN 0.583 nan 8.290 nan 0.000 0.489 384 G N 0.279 109.302 108.800 0.371 0.000 2.860 384 G HA2 -0.259 3.702 3.960 0.001 0.000 0.553 384 G HA3 -0.259 3.702 3.960 0.001 0.000 0.553 384 G C -0.339 174.778 174.900 0.362 0.000 1.439 384 G CA -0.777 44.474 45.100 0.252 0.000 0.879 384 G HN 0.253 nan 8.290 nan 0.000 0.545 385 F N 1.180 121.119 119.950 -0.018 0.000 2.765 385 F HA 0.319 4.847 4.527 0.001 0.000 0.302 385 F C 1.292 177.131 175.800 0.064 0.000 1.111 385 F CA 0.719 58.728 58.000 0.015 0.000 1.359 385 F CB -0.039 38.933 39.000 -0.047 0.000 1.097 385 F HN 0.656 nan 8.300 nan 0.000 0.577 386 H N -0.359 118.786 119.070 0.124 0.000 3.129 386 H HA 0.243 4.800 4.556 0.001 0.000 0.342 386 H C -1.112 174.195 175.328 -0.035 0.000 1.092 386 H CA -0.314 55.739 56.048 0.010 0.000 1.310 386 H CB 1.569 31.306 29.762 -0.042 0.000 1.932 386 H HN -0.032 nan 8.280 nan 0.000 0.507 387 N N 1.095 119.763 118.700 -0.053 0.000 3.384 387 N HA -0.035 4.706 4.740 0.001 0.000 0.352 387 N C 0.762 176.287 175.510 0.025 0.000 1.466 387 N CA 0.082 53.074 53.050 -0.096 0.000 0.629 387 N CB 0.896 38.942 38.487 -0.735 0.000 1.810 387 N HN 0.667 nan 8.380 nan 0.000 0.575 388 Q N 0.078 119.858 119.800 -0.033 0.000 2.561 388 Q HA 0.171 4.512 4.340 0.001 0.000 0.217 388 Q C 0.615 176.816 176.000 0.335 0.000 0.980 388 Q CA 0.495 56.461 55.803 0.272 0.000 0.927 388 Q CB -0.925 28.082 28.738 0.448 0.000 0.980 388 Q HN 0.460 nan 8.270 nan 0.000 0.525 389 G N 0.085 108.914 108.800 0.048 0.000 2.491 389 G HA2 0.371 4.332 3.960 0.001 0.000 0.242 389 G HA3 0.371 4.332 3.960 0.001 0.000 0.242 389 G C -0.915 174.029 174.900 0.072 0.000 1.266 389 G CA -0.570 44.560 45.100 0.050 0.000 0.844 389 G HN 0.169 nan 8.290 nan 0.000 0.571 390 V N 3.570 123.418 119.914 -0.110 0.000 2.347 390 V HA 0.216 4.337 4.120 0.001 0.000 0.280 390 V C -0.369 175.664 176.094 -0.101 0.000 1.021 390 V CA -0.785 61.320 62.300 -0.326 0.000 0.847 390 V CB 1.152 32.495 31.823 -0.800 0.000 0.990 390 V HN 0.701 nan 8.190 nan 0.000 0.444 391 D N 2.576 123.012 120.400 0.059 0.000 2.432 391 D HA 0.571 5.212 4.640 0.001 0.000 0.258 391 D C 0.176 176.667 176.300 0.318 0.000 1.146 391 D CA -0.107 54.020 54.000 0.211 0.000 1.015 391 D CB 1.817 42.753 40.800 0.227 0.000 1.107 391 D HN 0.620 nan 8.370 nan 0.000 0.529 392 S N -0.739 115.215 115.700 0.423 0.000 2.566 392 S HA 0.571 5.042 4.470 0.001 0.000 0.298 392 S C -1.206 173.671 174.600 0.462 0.000 1.083 392 S CA -0.884 57.625 58.200 0.514 0.000 0.978 392 S CB 1.751 65.324 63.200 0.622 0.000 1.073 392 S HN 0.477 nan 8.310 nan 0.000 0.491 393 Y N 1.188 121.649 120.300 0.269 0.000 2.425 393 Y HA 0.566 5.117 4.550 0.001 0.000 0.344 393 Y C -1.318 174.631 175.900 0.082 0.000 0.969 393 Y CA -0.914 57.240 58.100 0.091 0.000 1.052 393 Y CB 1.762 40.270 38.460 0.080 0.000 1.215 393 Y HN 0.864 nan 8.280 nan 0.000 0.451 394 D N 7.638 127.602 120.400 -0.727 0.000 2.373 394 D HA 0.376 5.017 4.640 0.001 0.000 0.227 394 D C -2.249 173.504 176.300 -0.912 0.000 1.091 394 D CA -2.654 50.874 54.000 -0.787 0.000 0.840 394 D CB 2.130 42.358 40.800 -0.954 0.000 1.060 394 D HN 0.315 nan 8.370 nan 0.000 0.502 395 P HA -0.111 nan 4.420 nan 0.000 0.217 395 P C 0.763 177.980 177.300 -0.139 0.000 1.150 395 P CA 1.074 64.034 63.100 -0.234 0.000 0.832 395 P CB 0.372 32.114 31.700 0.069 0.000 0.787 396 E N -0.302 119.840 120.200 -0.097 0.000 2.015 396 E HA -0.120 4.231 4.350 0.001 0.000 0.191 396 E C 1.996 178.559 176.600 -0.062 0.000 0.991 396 E CA 1.818 58.198 56.400 -0.033 0.000 0.802 396 E CB -0.501 29.214 29.700 0.024 0.000 0.759 396 E HN 0.286 nan 8.360 nan 0.000 0.447 397 S N 0.047 115.680 115.700 -0.112 0.000 2.558 397 S HA 0.050 4.521 4.470 0.001 0.000 0.217 397 S C 0.459 174.980 174.600 -0.133 0.000 0.975 397 S CA -0.212 57.937 58.200 -0.085 0.000 0.912 397 S CB -0.052 63.121 63.200 -0.045 0.000 0.776 397 S HN 0.157 nan 8.310 nan 0.000 0.526 398 R N 0.964 121.314 120.500 -0.250 0.000 3.146 398 R HA -0.099 4.241 4.340 0.001 0.000 0.250 398 R C -1.083 175.132 176.300 -0.142 0.000 0.912 398 R CA 0.899 56.881 56.100 -0.197 0.000 0.633 398 R CB -2.724 27.607 30.300 0.052 0.000 1.180 398 R HN 0.491 nan 8.270 nan 0.000 0.464 399 T N 0.938 115.248 114.554 -0.407 0.000 2.886 399 T HA 0.525 4.876 4.350 0.001 0.000 0.292 399 T C -0.543 173.822 174.700 -0.558 0.000 1.012 399 T CA -0.783 61.059 62.100 -0.430 0.000 0.982 399 T CB 2.187 70.711 68.868 -0.573 0.000 1.018 399 T HN 0.248 nan 8.240 nan 0.000 0.451 400 L N 3.286 124.296 121.223 -0.355 0.000 2.307 400 L HA 0.586 4.927 4.340 0.001 0.000 0.284 400 L C -1.583 175.018 176.870 -0.450 0.000 1.023 400 L CA -0.556 54.155 54.840 -0.214 0.000 0.810 400 L CB 0.524 42.604 42.059 0.035 0.000 1.231 400 L HN 0.615 nan 8.230 nan 0.000 0.423 401 Y N 4.935 125.266 120.300 0.052 0.000 2.491 401 Y HA 0.667 5.218 4.550 0.001 0.000 0.334 401 Y C 0.495 176.418 175.900 0.040 0.000 0.969 401 Y CA -0.612 57.463 58.100 -0.041 0.000 1.241 401 Y CB 0.905 39.396 38.460 0.052 0.000 1.105 401 Y HN 0.691 nan 8.280 nan 0.000 0.503 402 A N 2.058 124.945 122.820 0.112 0.000 2.306 402 A HA 0.743 5.064 4.320 0.001 0.000 0.314 402 A C 0.537 178.140 177.584 0.032 0.000 1.164 402 A CA -0.410 51.722 52.037 0.158 0.000 0.822 402 A CB 0.432 19.606 19.000 0.290 0.000 1.130 402 A HN 0.844 nan 8.150 nan 0.000 0.496 403 G N 1.611 110.404 108.800 -0.012 0.000 2.356 403 G HA2 0.532 4.493 3.960 0.001 0.000 0.312 403 G HA3 0.532 4.493 3.960 0.001 0.000 0.312 403 G C -0.407 174.368 174.900 -0.209 0.000 1.096 403 G CA -0.304 44.728 45.100 -0.114 0.000 0.950 403 G HN 0.638 nan 8.290 nan 0.000 0.428 404 L N 1.801 122.939 121.223 -0.142 0.000 2.304 404 L HA 0.501 4.841 4.340 0.001 0.000 0.268 404 L C 0.094 176.935 176.870 -0.049 0.000 1.010 404 L CA -1.100 53.670 54.840 -0.116 0.000 0.813 404 L CB 2.041 44.039 42.059 -0.102 0.000 1.315 404 L HN 0.466 nan 8.230 nan 0.000 0.445 405 N N -1.341 117.363 118.700 0.007 0.000 2.319 405 N HA 0.379 5.120 4.740 0.001 0.000 0.305 405 N C -1.253 174.210 175.510 -0.078 0.000 1.103 405 N CA -0.688 52.435 53.050 0.123 0.000 0.815 405 N CB 1.621 40.291 38.487 0.304 0.000 1.288 405 N HN 0.480 nan 8.380 nan 0.000 0.493 406 H N 1.882 120.869 119.070 -0.138 0.000 2.423 406 H HA 0.496 5.052 4.556 0.001 0.000 0.237 406 H C -1.428 173.905 175.328 0.009 0.000 1.391 406 H CA -0.289 55.576 56.048 -0.305 0.000 1.453 406 H CB -0.162 29.550 29.762 -0.084 0.000 1.484 406 H HN 0.445 nan 8.280 nan 0.000 0.505 407 I N 2.735 123.346 120.570 0.068 0.000 2.619 407 I HA 0.347 4.518 4.170 0.001 0.000 0.292 407 I C -0.452 175.737 176.117 0.120 0.000 1.100 407 I CA -0.659 60.691 61.300 0.083 0.000 1.043 407 I CB 1.928 39.996 38.000 0.113 0.000 1.239 407 I HN 0.437 nan 8.210 nan 0.000 0.420 408 c N 5.048 123.594 118.600 -0.090 0.000 2.967 408 c HA 0.886 5.457 4.570 0.001 0.000 0.372 408 c C -0.139 173.647 174.090 -0.508 0.000 1.455 408 c CA -0.581 55.648 56.329 -0.168 0.000 1.638 408 c CB 1.912 44.397 42.510 -0.041 0.000 2.096 408 c HN 0.900 nan 8.230 nan 0.000 0.466 409 M N -0.077 119.313 119.600 -0.350 0.000 2.949 409 M HA 0.626 5.106 4.480 0.001 0.000 0.270 409 M C -2.570 173.793 176.300 0.105 0.000 1.221 409 M CA -0.309 54.817 55.300 -0.290 0.000 0.818 409 M CB 1.790 34.403 32.600 0.023 0.000 1.635 409 M HN 0.365 nan 8.290 nan 0.000 0.492 410 D N 0.977 121.514 120.400 0.228 0.000 2.342 410 D HA 0.656 5.296 4.640 0.001 0.000 0.243 410 D C -1.908 174.616 176.300 0.373 0.000 1.019 410 D CA 0.410 54.598 54.000 0.313 0.000 0.864 410 D CB 2.272 43.253 40.800 0.302 0.000 1.315 410 D HN 0.630 nan 8.370 nan 0.000 0.468 411 W N 2.372 123.744 121.300 0.120 0.000 3.439 411 W HA 0.365 5.026 4.660 0.001 0.000 0.323 411 W C -1.762 174.804 176.519 0.079 0.000 1.174 411 W CA -0.638 56.779 57.345 0.121 0.000 1.224 411 W CB 1.204 30.743 29.460 0.131 0.000 1.348 411 W HN 0.429 nan 8.180 nan 0.000 0.498 412 E N 7.389 127.744 120.200 0.259 0.000 2.260 412 E HA 0.513 4.864 4.350 0.001 0.000 0.266 412 E C -2.624 174.043 176.600 0.111 0.000 0.887 412 E CA -1.924 54.622 56.400 0.244 0.000 0.777 412 E CB 3.035 32.825 29.700 0.151 0.000 1.205 412 E HN -0.049 nan 8.360 nan 0.000 0.414 413 P HA 0.387 nan 4.420 nan 0.000 0.279 413 P C -1.157 176.223 177.300 0.132 0.000 1.276 413 P CA -0.329 62.800 63.100 0.049 0.000 0.801 413 P CB 0.345 32.136 31.700 0.152 0.000 1.127 414 F N -2.559 117.396 119.950 0.008 0.000 2.665 414 F HA 0.533 5.061 4.527 0.001 0.000 0.308 414 F C -1.092 174.714 175.800 0.009 0.000 1.112 414 F CA -1.513 56.491 58.000 0.008 0.000 0.972 414 F CB 0.513 39.504 39.000 -0.015 0.000 1.295 414 F HN -0.032 nan 8.300 nan 0.000 0.440 415 M N 4.472 124.226 119.600 0.257 0.000 2.245 415 M HA 0.590 5.071 4.480 0.001 0.000 0.344 415 M C -0.341 176.113 176.300 0.257 0.000 1.170 415 M CA -0.200 55.204 55.300 0.174 0.000 1.135 415 M CB 0.688 33.378 32.600 0.150 0.000 1.574 415 M HN 0.881 nan 8.290 nan 0.000 0.452 416 L N 1.955 123.291 121.223 0.188 0.000 2.582 416 L HA 0.830 5.171 4.340 0.001 0.000 0.257 416 L C -2.923 174.119 176.870 0.286 0.000 0.974 416 L CA -1.518 53.467 54.840 0.241 0.000 0.851 416 L CB 2.282 44.492 42.059 0.252 0.000 1.424 416 L HN 0.437 nan 8.230 nan 0.000 0.412 417 P HA 0.274 nan 4.420 nan 0.000 0.282 417 P C -1.863 175.551 177.300 0.191 0.000 1.259 417 P CA -0.277 62.944 63.100 0.202 0.000 0.826 417 P CB 1.327 33.083 31.700 0.093 0.000 1.064 418 Y N 2.159 122.386 120.300 -0.122 0.000 2.320 418 Y HA 0.445 4.995 4.550 0.001 0.000 0.334 418 Y C -0.327 175.411 175.900 -0.270 0.000 1.055 418 Y CA -0.540 57.258 58.100 -0.503 0.000 1.143 418 Y CB 0.971 38.884 38.460 -0.912 0.000 1.193 418 Y HN 0.179 nan 8.280 nan 0.000 0.477 419 R N 5.189 125.038 120.500 -1.085 0.000 2.500 419 R HA 0.467 4.808 4.340 0.001 0.000 0.299 419 R C -0.866 174.852 176.300 -0.969 0.000 1.038 419 R CA -0.897 54.709 56.100 -0.822 0.000 0.903 419 R CB 1.264 31.346 30.300 -0.364 0.000 1.177 419 R HN 0.882 nan 8.270 nan 0.000 0.455 420 A N 0.996 123.266 122.820 -0.918 0.000 2.580 420 A HA 0.344 4.665 4.320 0.001 0.000 0.244 420 A C 1.385 178.799 177.584 -0.284 0.000 1.045 420 A CA 1.496 53.255 52.037 -0.464 0.000 0.761 420 A CB -0.390 18.502 19.000 -0.181 0.000 0.962 420 A HN 1.080 nan 8.150 nan 0.000 0.512 421 G N 1.147 109.821 108.800 -0.210 0.000 2.195 421 G HA2 -0.173 3.788 3.960 0.001 0.000 0.246 421 G HA3 -0.173 3.788 3.960 0.001 0.000 0.246 421 G C 0.129 174.915 174.900 -0.191 0.000 0.984 421 G CA 0.429 45.427 45.100 -0.171 0.000 0.633 421 G HN 0.893 nan 8.290 nan 0.000 0.525 422 Q N -0.679 118.993 119.800 -0.214 0.000 2.297 422 Q HA 0.676 5.017 4.340 0.001 0.000 0.268 422 Q C -0.084 175.849 176.000 -0.112 0.000 1.045 422 Q CA -0.888 54.840 55.803 -0.125 0.000 0.861 422 Q CB 1.192 29.875 28.738 -0.092 0.000 1.344 422 Q HN 0.159 nan 8.270 nan 0.000 0.452 423 F N 1.023 120.957 119.950 -0.026 0.000 2.553 423 F HA 0.025 4.553 4.527 0.001 0.000 0.356 423 F C 0.729 176.604 175.800 0.126 0.000 1.142 423 F CA 0.412 58.414 58.000 0.003 0.000 1.322 423 F CB 0.296 39.249 39.000 -0.078 0.000 1.126 423 F HN 0.386 nan 8.300 nan 0.000 0.599 424 F N 3.609 123.606 119.950 0.079 0.000 2.566 424 F HA 0.392 4.919 4.527 0.001 0.000 0.347 424 F C -0.229 175.542 175.800 -0.048 0.000 1.515 424 F CA -0.624 57.412 58.000 0.059 0.000 1.103 424 F CB -0.378 38.721 39.000 0.166 0.000 1.385 424 F HN 0.177 nan 8.300 nan 0.000 0.560 425 V N 1.023 120.783 119.914 -0.258 0.000 2.398 425 V HA 0.307 4.428 4.120 0.001 0.000 0.236 425 V C 1.660 177.337 176.094 -0.695 0.000 1.054 425 V CA 1.014 62.906 62.300 -0.680 0.000 1.060 425 V CB -1.035 30.258 31.823 -0.883 0.000 0.707 425 V HN 0.679 nan 8.190 nan 0.000 0.480 426 G N 0.471 108.797 108.800 -0.790 0.000 2.289 426 G HA2 0.201 4.161 3.960 0.001 0.000 0.280 426 G HA3 0.201 4.161 3.960 0.001 0.000 0.280 426 G C -0.114 174.001 174.900 -1.309 0.000 1.089 426 G CA 0.414 44.691 45.100 -1.372 0.000 0.939 426 G HN 1.461 nan 8.290 nan 0.000 0.499 427 A N -0.967 121.248 122.820 -1.008 0.000 2.577 427 A HA 0.874 5.194 4.320 0.001 0.000 0.297 427 A C -0.289 177.150 177.584 -0.242 0.000 1.060 427 A CA 0.225 51.901 52.037 -0.601 0.000 0.697 427 A CB 1.368 19.865 19.000 -0.837 0.000 1.281 427 A HN 0.994 nan 8.150 nan 0.000 0.402 428 T N 2.337 116.824 114.554 -0.112 0.000 2.770 428 T HA 0.614 4.965 4.350 0.001 0.000 0.283 428 T C -0.641 174.034 174.700 -0.041 0.000 0.988 428 T CA -0.114 61.986 62.100 0.001 0.000 0.957 428 T CB 0.476 69.397 68.868 0.088 0.000 0.930 428 T HN 0.424 nan 8.240 nan 0.000 0.443 429 L N 2.143 123.381 121.223 0.024 0.000 2.279 429 L HA 0.955 5.295 4.340 0.001 0.000 0.262 429 L C -0.196 176.761 176.870 0.144 0.000 1.019 429 L CA -0.895 54.015 54.840 0.117 0.000 0.823 429 L CB 1.561 43.736 42.059 0.192 0.000 1.358 429 L HN 0.769 nan 8.230 nan 0.000 0.432 430 A N 1.586 124.508 122.820 0.170 0.000 2.437 430 A HA 0.856 5.177 4.320 0.001 0.000 0.293 430 A C -1.106 176.534 177.584 0.094 0.000 1.038 430 A CA -0.426 51.716 52.037 0.176 0.000 0.708 430 A CB 1.194 20.337 19.000 0.237 0.000 1.251 430 A HN 0.590 nan 8.150 nan 0.000 0.409 431 M N 1.886 121.512 119.600 0.044 0.000 2.602 431 M HA 0.760 5.241 4.480 0.001 0.000 0.312 431 M C -1.001 175.242 176.300 -0.096 0.000 1.181 431 M CA -0.625 54.562 55.300 -0.188 0.000 0.910 431 M CB 2.206 34.758 32.600 -0.080 0.000 1.723 431 M HN 0.838 nan 8.290 nan 0.000 0.459 432 Y N -1.317 118.998 120.300 0.026 0.000 2.713 432 Y HA 0.669 5.219 4.550 0.001 0.000 0.335 432 Y C -3.206 172.681 175.900 -0.023 0.000 1.222 432 Y CA -3.020 55.072 58.100 -0.013 0.000 1.061 432 Y CB -0.488 37.978 38.460 0.010 0.000 1.314 432 Y HN 0.377 nan 8.280 nan 0.000 0.453 433 P HA 0.182 nan 4.420 nan 0.000 0.267 433 P C 0.358 177.740 177.300 0.137 0.000 1.200 433 P CA 0.690 63.855 63.100 0.109 0.000 0.772 433 P CB 0.634 32.378 31.700 0.073 0.000 0.855 434 G N 3.210 111.995 108.800 -0.024 0.000 2.684 434 G HA2 0.164 4.124 3.960 0.001 0.000 0.255 434 G HA3 0.164 4.124 3.960 0.001 0.000 0.255 434 G C -1.515 173.436 174.900 0.084 0.000 1.219 434 G CA -0.816 44.117 45.100 -0.279 0.000 0.901 434 G HN 0.366 nan 8.290 nan 0.000 0.548 435 P HA 0.021 nan 4.420 nan 0.000 0.240 435 P C 0.526 177.940 177.300 0.190 0.000 1.190 435 P CA 0.395 63.598 63.100 0.173 0.000 0.781 435 P CB 0.480 32.255 31.700 0.126 0.000 0.931 436 N N 0.193 119.140 118.700 0.411 0.000 2.270 436 N HA 0.072 4.813 4.740 0.001 0.000 0.198 436 N C 1.168 176.418 175.510 -0.433 0.000 1.117 436 N CA 0.193 53.292 53.050 0.082 0.000 0.845 436 N CB 0.039 38.646 38.487 0.200 0.000 0.980 436 N HN 0.117 nan 8.380 nan 0.000 0.486 437 G N 1.729 110.170 108.800 -0.598 0.000 2.491 437 G HA2 0.150 4.111 3.960 0.001 0.000 0.242 437 G HA3 0.150 4.111 3.960 0.001 0.000 0.242 437 G C -1.379 173.001 174.900 -0.866 0.000 1.266 437 G CA -0.762 43.567 45.100 -1.285 0.000 0.844 437 G HN -0.032 nan 8.290 nan 0.000 0.571 438 P HA -0.162 nan 4.420 nan 0.000 0.218 438 P C 1.811 178.917 177.300 -0.324 0.000 1.154 438 P CA 2.448 65.225 63.100 -0.539 0.000 0.872 438 P CB 0.214 31.625 31.700 -0.481 0.000 0.790 439 T N -5.985 108.392 114.554 -0.294 0.000 3.129 439 T HA 0.302 4.653 4.350 0.001 0.000 0.267 439 T C 0.543 175.148 174.700 -0.160 0.000 1.018 439 T CA -0.510 61.480 62.100 -0.184 0.000 0.903 439 T CB -0.595 68.187 68.868 -0.144 0.000 1.067 439 T HN 0.026 nan 8.240 nan 0.000 0.549 440 K N 0.434 120.714 120.400 -0.199 0.000 3.209 440 K HA -0.175 4.146 4.320 0.001 0.000 0.289 440 K C 0.646 177.199 176.600 -0.077 0.000 1.191 440 K CA 0.883 57.097 56.287 -0.122 0.000 0.851 440 K CB -0.758 31.696 32.500 -0.077 0.000 1.242 440 K HN 0.299 nan 8.250 nan 0.000 0.480 441 K N 0.367 120.702 120.400 -0.108 0.000 2.425 441 K HA 0.090 4.411 4.320 0.001 0.000 0.201 441 K C -0.025 176.521 176.600 -0.090 0.000 1.128 441 K CA 0.278 56.513 56.287 -0.087 0.000 1.000 441 K CB 0.513 32.951 32.500 -0.103 0.000 0.961 441 K HN 0.151 nan 8.250 nan 0.000 0.555 442 E N 1.131 121.279 120.200 -0.087 0.000 2.384 442 E HA 0.089 4.440 4.350 0.001 0.000 0.266 442 E C 0.659 177.355 176.600 0.160 0.000 1.012 442 E CA 0.514 56.921 56.400 0.013 0.000 0.901 442 E CB 0.481 30.235 29.700 0.089 0.000 0.967 442 E HN 0.032 nan 8.360 nan 0.000 0.435 443 M N 1.431 121.107 119.600 0.126 0.000 2.347 443 M HA 0.279 4.760 4.480 0.001 0.000 0.302 443 M C 0.409 176.847 176.300 0.230 0.000 1.051 443 M CA -0.063 55.344 55.300 0.179 0.000 0.988 443 M CB 1.090 33.721 32.600 0.052 0.000 1.475 443 M HN 0.492 nan 8.290 nan 0.000 0.530 444 G N 0.583 109.512 108.800 0.215 0.000 2.612 444 G HA2 0.770 4.731 3.960 0.001 0.000 0.298 444 G HA3 0.770 4.731 3.960 0.001 0.000 0.298 444 G C -1.492 173.379 174.900 -0.049 0.000 1.336 444 G CA -0.293 44.884 45.100 0.129 0.000 0.953 444 G HN 0.194 nan 8.290 nan 0.000 0.482 445 Q N -0.077 119.598 119.800 -0.208 0.000 2.377 445 Q HA 0.467 4.808 4.340 0.001 0.000 0.279 445 Q C -1.256 174.556 176.000 -0.313 0.000 1.049 445 Q CA -0.860 54.681 55.803 -0.437 0.000 0.825 445 Q CB 3.043 31.323 28.738 -0.765 0.000 1.401 445 Q HN 0.361 nan 8.270 nan 0.000 0.404 446 I N 2.082 122.467 120.570 -0.308 0.000 2.382 446 I HA 0.453 4.624 4.170 0.001 0.000 0.286 446 I C -0.598 175.345 176.117 -0.291 0.000 1.002 446 I CA -0.239 60.907 61.300 -0.255 0.000 1.135 446 I CB 1.293 39.153 38.000 -0.234 0.000 1.288 446 I HN 0.572 nan 8.210 nan 0.000 0.448 447 R N 4.667 124.917 120.500 -0.416 0.000 2.532 447 R HA 0.775 5.116 4.340 0.001 0.000 0.297 447 R C -1.002 174.727 176.300 -0.952 0.000 0.984 447 R CA -0.515 55.152 56.100 -0.721 0.000 0.884 447 R CB 1.953 31.825 30.300 -0.714 0.000 1.182 447 R HN 0.697 nan 8.270 nan 0.000 0.442 448 A N 4.589 126.612 122.820 -1.330 0.000 2.301 448 A HA 0.589 4.909 4.320 0.001 0.000 0.298 448 A C -1.180 175.832 177.584 -0.954 0.000 1.185 448 A CA -0.227 51.125 52.037 -1.141 0.000 0.830 448 A CB 0.168 18.269 19.000 -1.499 0.000 1.112 448 A HN 0.584 nan 8.150 nan 0.000 0.508 449 F N 0.579 120.271 119.950 -0.431 0.000 2.579 449 F HA 0.412 4.939 4.527 0.001 0.000 0.324 449 F C 0.239 175.903 175.800 -0.226 0.000 1.058 449 F CA -0.656 57.176 58.000 -0.281 0.000 0.944 449 F CB 1.861 40.732 39.000 -0.214 0.000 1.245 449 F HN 0.559 nan 8.300 nan 0.000 0.477 450 D N 2.040 122.488 120.400 0.081 0.000 2.303 450 D HA 0.254 4.895 4.640 0.001 0.000 0.236 450 D C 0.507 176.820 176.300 0.021 0.000 1.068 450 D CA -0.144 53.869 54.000 0.021 0.000 0.830 450 D CB 1.371 42.173 40.800 0.004 0.000 1.109 450 D HN 0.539 nan 8.370 nan 0.000 0.496 451 L N 2.834 124.058 121.223 0.000 0.000 2.465 451 L HA -0.060 4.280 4.340 0.001 0.000 0.224 451 L C 2.270 179.098 176.870 -0.070 0.000 1.145 451 L CA 0.961 55.765 54.840 -0.060 0.000 0.834 451 L CB -0.292 41.713 42.059 -0.090 0.000 0.944 451 L HN 0.494 nan 8.230 nan 0.000 0.451 452 T N -5.383 109.145 114.554 -0.043 0.000 3.051 452 T HA -0.045 4.306 4.350 0.001 0.000 0.255 452 T C 1.618 176.288 174.700 -0.049 0.000 1.085 452 T CA 0.998 63.069 62.100 -0.049 0.000 1.109 452 T CB -0.066 68.784 68.868 -0.031 0.000 0.921 452 T HN 0.370 nan 8.240 nan 0.000 0.488 453 T N -3.229 111.302 114.554 -0.039 0.000 2.955 453 T HA 0.488 4.839 4.350 0.001 0.000 0.251 453 T C 1.892 176.568 174.700 -0.041 0.000 1.002 453 T CA 0.709 62.788 62.100 -0.035 0.000 0.970 453 T CB -0.142 68.716 68.868 -0.018 0.000 1.091 453 T HN 0.911 nan 8.240 nan 0.000 0.495 454 G N 1.442 110.217 108.800 -0.042 0.000 2.148 454 G HA2 -0.226 3.735 3.960 0.001 0.000 0.254 454 G HA3 -0.226 3.735 3.960 0.001 0.000 0.254 454 G C -0.137 174.805 174.900 0.069 0.000 0.981 454 G CA 0.233 45.294 45.100 -0.064 0.000 0.670 454 G HN 0.682 nan 8.290 nan 0.000 0.528 455 K N 0.548 121.005 120.400 0.094 0.000 2.118 455 K HA 0.786 5.107 4.320 0.001 0.000 0.267 455 K C 0.652 177.315 176.600 0.104 0.000 0.991 455 K CA 0.403 56.751 56.287 0.102 0.000 0.916 455 K CB 1.471 33.987 32.500 0.027 0.000 1.041 455 K HN 0.616 nan 8.250 nan 0.000 0.455 456 A N 2.258 125.061 122.820 -0.027 0.000 2.322 456 A HA 0.264 4.585 4.320 0.001 0.000 0.269 456 A C 0.236 177.669 177.584 -0.253 0.000 1.094 456 A CA -0.098 51.720 52.037 -0.365 0.000 0.807 456 A CB 0.399 19.099 19.000 -0.500 0.000 1.047 456 A HN 0.785 nan 8.150 nan 0.000 0.487 457 K N 0.421 120.608 120.400 -0.355 0.000 2.329 457 K HA 0.166 4.486 4.320 0.001 0.000 0.198 457 K C -0.088 176.512 176.600 -0.000 0.000 1.085 457 K CA 0.633 56.825 56.287 -0.158 0.000 0.961 457 K CB 0.433 32.846 32.500 -0.145 0.000 0.971 457 K HN 0.879 nan 8.250 nan 0.000 0.502 458 W N -0.241 120.961 121.300 -0.164 0.000 3.066 458 W HA 0.453 5.114 4.660 0.001 0.000 0.330 458 W C -1.602 174.792 176.519 -0.209 0.000 1.253 458 W CA -0.777 56.485 57.345 -0.137 0.000 1.187 458 W CB 0.728 30.141 29.460 -0.079 0.000 1.434 458 W HN -0.376 nan 8.180 nan 0.000 0.572 459 T N 2.070 116.785 114.554 0.270 0.000 2.952 459 T HA 0.354 4.705 4.350 0.001 0.000 0.305 459 T C -1.203 173.560 174.700 0.106 0.000 1.064 459 T CA -0.694 61.418 62.100 0.021 0.000 1.008 459 T CB 2.570 71.293 68.868 -0.242 0.000 1.078 459 T HN 0.420 nan 8.240 nan 0.000 0.459 460 K N 2.244 122.663 120.400 0.032 0.000 2.413 460 K HA 0.446 4.767 4.320 0.001 0.000 0.257 460 K C -1.362 175.173 176.600 -0.107 0.000 0.946 460 K CA -0.722 55.591 56.287 0.044 0.000 0.823 460 K CB 1.197 33.767 32.500 0.117 0.000 1.109 460 K HN 0.521 nan 8.250 nan 0.000 0.427 461 W N 2.580 123.877 121.300 -0.006 0.000 2.313 461 W HA 0.283 4.944 4.660 0.001 0.000 0.328 461 W C 0.307 176.821 176.519 -0.008 0.000 1.197 461 W CA -0.260 57.063 57.345 -0.036 0.000 1.235 461 W CB 1.037 30.456 29.460 -0.068 0.000 1.158 461 W HN 0.327 nan 8.180 nan 0.000 0.578 462 E N 1.468 121.812 120.200 0.240 0.000 2.288 462 E HA 0.102 4.453 4.350 0.001 0.000 0.268 462 E C 0.633 177.305 176.600 0.121 0.000 0.885 462 E CA -0.767 55.739 56.400 0.178 0.000 0.767 462 E CB 2.284 32.106 29.700 0.204 0.000 1.220 462 E HN 0.450 nan 8.360 nan 0.000 0.427 463 K N 1.859 122.255 120.400 -0.007 0.000 2.032 463 K HA -0.055 4.266 4.320 0.001 0.000 0.209 463 K C 0.053 176.413 176.600 -0.399 0.000 1.048 463 K CA 1.377 57.499 56.287 -0.274 0.000 0.927 463 K CB 0.132 32.344 32.500 -0.481 0.000 0.712 463 K HN 0.250 nan 8.250 nan 0.000 0.441 464 F N 0.063 120.091 119.950 0.130 0.000 2.497 464 F HA 0.442 4.970 4.527 0.002 0.000 0.331 464 F C 0.287 176.248 175.800 0.268 0.000 1.060 464 F CA -1.272 56.854 58.000 0.209 0.000 0.989 464 F CB 1.017 40.168 39.000 0.251 0.000 1.245 464 F HN -0.051 nan 8.300 nan 0.000 0.486 465 A N 0.886 124.062 122.820 0.593 0.000 2.531 465 A HA 0.415 4.736 4.320 0.001 0.000 0.236 465 A C 0.100 177.959 177.584 0.460 0.000 1.062 465 A CA -0.002 52.336 52.037 0.502 0.000 0.760 465 A CB -0.462 18.947 19.000 0.681 0.000 0.995 465 A HN 0.913 nan 8.150 nan 0.000 0.501 466 A N 2.842 125.852 122.820 0.317 0.000 2.922 466 A HA 0.275 4.595 4.320 0.001 0.000 0.298 466 A C 0.764 178.520 177.584 0.288 0.000 1.588 466 A CA -0.479 51.714 52.037 0.261 0.000 1.288 466 A CB -0.639 18.399 19.000 0.062 0.000 1.130 466 A HN 1.047 nan 8.150 nan 0.000 0.557 467 W N 2.282 123.685 121.300 0.171 0.000 2.418 467 W HA -0.085 4.575 4.660 0.001 0.000 0.292 467 W C 1.601 178.236 176.519 0.194 0.000 1.213 467 W CA 1.597 59.046 57.345 0.172 0.000 1.283 467 W CB 0.085 29.654 29.460 0.182 0.000 1.119 467 W HN 0.714 nan 8.180 nan 0.000 0.542 468 G N 0.004 109.034 108.800 0.384 0.000 2.430 468 G HA2 0.271 4.232 3.960 0.001 0.000 0.216 468 G HA3 0.271 4.232 3.960 0.001 0.000 0.216 468 G C 0.635 175.657 174.900 0.204 0.000 1.146 468 G CA 0.989 46.276 45.100 0.312 0.000 0.793 468 G HN 0.490 nan 8.290 nan 0.000 0.537 469 G N -1.541 107.369 108.800 0.182 0.000 2.396 469 G HA2 0.406 4.366 3.960 0.001 0.000 0.254 469 G HA3 0.406 4.366 3.960 0.001 0.000 0.254 469 G C -0.263 174.794 174.900 0.262 0.000 1.248 469 G CA 0.217 45.404 45.100 0.146 0.000 1.033 469 G HN 1.391 nan 8.290 nan 0.000 0.502 470 T N -2.628 112.113 114.554 0.310 0.000 2.883 470 T HA 0.760 5.110 4.350 0.001 0.000 0.301 470 T C -1.150 173.898 174.700 0.579 0.000 1.158 470 T CA -0.163 62.198 62.100 0.436 0.000 1.007 470 T CB 2.072 71.171 68.868 0.383 0.000 1.186 470 T HN 2.055 nan 8.240 nan 0.000 0.499 471 L N 1.792 123.338 121.223 0.538 0.000 2.365 471 L HA 0.796 5.137 4.340 0.001 0.000 0.273 471 L C -1.777 175.368 176.870 0.459 0.000 1.000 471 L CA -0.943 54.142 54.840 0.408 0.000 0.819 471 L CB 1.824 43.983 42.059 0.167 0.000 1.284 471 L HN 0.875 nan 8.230 nan 0.000 0.418 472 Y N 3.248 123.727 120.300 0.298 0.000 2.341 472 Y HA 0.717 5.268 4.550 0.002 0.000 0.338 472 Y C -0.525 175.517 175.900 0.236 0.000 0.965 472 Y CA -0.416 57.848 58.100 0.274 0.000 1.108 472 Y CB 1.599 40.245 38.460 0.310 0.000 1.180 472 Y HN 0.794 nan 8.280 nan 0.000 0.458 473 T N 2.200 116.319 114.554 -0.724 0.000 2.856 473 T HA 0.277 4.628 4.350 0.001 0.000 0.283 473 T C 0.698 174.933 174.700 -0.774 0.000 1.008 473 T CA -1.077 60.732 62.100 -0.485 0.000 0.997 473 T CB 1.897 70.725 68.868 -0.067 0.000 0.992 473 T HN 0.793 nan 8.240 nan 0.000 0.454 474 K N 1.618 121.815 120.400 -0.339 0.000 2.362 474 K HA -0.084 4.237 4.320 0.001 0.000 0.202 474 K C 2.026 178.588 176.600 -0.063 0.000 1.045 474 K CA 1.394 57.617 56.287 -0.107 0.000 0.936 474 K CB -0.770 31.743 32.500 0.022 0.000 0.747 474 K HN 0.874 nan 8.250 nan 0.000 0.467 475 G N -0.339 108.398 108.800 -0.105 0.000 2.708 475 G HA2 0.003 3.963 3.960 0.001 0.000 0.210 475 G HA3 0.003 3.963 3.960 0.001 0.000 0.210 475 G C 0.700 175.573 174.900 -0.045 0.000 1.141 475 G CA 0.390 45.458 45.100 -0.053 0.000 0.788 475 G HN 0.465 nan 8.290 nan 0.000 0.531 476 G N -0.911 107.865 108.800 -0.040 0.000 2.203 476 G HA2 -0.193 3.768 3.960 0.001 0.000 0.231 476 G HA3 -0.193 3.768 3.960 0.001 0.000 0.231 476 G C -0.061 174.837 174.900 -0.003 0.000 1.058 476 G CA 0.061 45.218 45.100 0.095 0.000 0.781 476 G HN 0.540 nan 8.290 nan 0.000 0.496 477 L N -0.582 120.553 121.223 -0.146 0.000 2.381 477 L HA 0.742 5.083 4.340 0.001 0.000 0.268 477 L C 0.055 176.794 176.870 -0.219 0.000 0.997 477 L CA -1.455 53.212 54.840 -0.288 0.000 0.818 477 L CB 2.476 44.213 42.059 -0.536 0.000 1.310 477 L HN -0.069 nan 8.230 nan 0.000 0.416 478 V N 1.041 120.813 119.914 -0.237 0.000 2.334 478 V HA 0.341 4.462 4.120 0.001 0.000 0.281 478 V C -1.025 175.085 176.094 0.026 0.000 1.016 478 V CA -0.443 61.848 62.300 -0.016 0.000 0.832 478 V CB 0.953 32.745 31.823 -0.053 0.000 0.999 478 V HN 0.559 nan 8.190 nan 0.000 0.439 479 W N 5.710 127.119 121.300 0.182 0.000 2.496 479 W HA 0.742 5.403 4.660 0.002 0.000 0.327 479 W C -0.352 176.375 176.519 0.347 0.000 1.086 479 W CA -0.627 56.830 57.345 0.187 0.000 1.222 479 W CB 1.038 30.536 29.460 0.064 0.000 1.304 479 W HN 0.683 nan 8.180 nan 0.000 0.547 480 Y N -0.134 120.393 120.300 0.378 0.000 2.604 480 Y HA 0.807 5.358 4.550 0.001 0.000 0.331 480 Y C -1.131 174.942 175.900 0.288 0.000 1.158 480 Y CA -2.270 56.015 58.100 0.308 0.000 1.056 480 Y CB 0.387 39.000 38.460 0.256 0.000 1.330 480 Y HN 0.618 nan 8.280 nan 0.000 0.457 481 A N 1.659 124.694 122.820 0.358 0.000 2.320 481 A HA 0.825 5.146 4.320 0.001 0.000 0.334 481 A C -0.166 177.636 177.584 0.363 0.000 1.147 481 A CA -0.175 52.021 52.037 0.265 0.000 0.820 481 A CB 0.846 20.016 19.000 0.284 0.000 1.218 481 A HN 1.180 nan 8.150 nan 0.000 0.482 482 T N -0.531 114.202 114.554 0.298 0.000 2.940 482 T HA 0.525 4.876 4.350 0.001 0.000 0.288 482 T C 0.934 175.798 174.700 0.275 0.000 1.033 482 T CA -0.727 61.583 62.100 0.350 0.000 1.033 482 T CB 0.771 69.852 68.868 0.355 0.000 1.079 482 T HN 0.378 nan 8.240 nan 0.000 0.496 483 L N 0.742 122.121 121.223 0.260 0.000 2.191 483 L HA -0.024 4.316 4.340 0.001 0.000 0.212 483 L C 1.958 178.834 176.870 0.011 0.000 1.103 483 L CA 1.314 56.213 54.840 0.099 0.000 0.769 483 L CB -0.495 41.567 42.059 0.004 0.000 0.908 483 L HN 0.796 nan 8.230 nan 0.000 0.438 484 D N -0.658 119.810 120.400 0.113 0.000 2.349 484 D HA 0.013 4.654 4.640 0.001 0.000 0.224 484 D C 1.385 177.744 176.300 0.100 0.000 1.029 484 D CA 0.878 54.946 54.000 0.112 0.000 0.879 484 D CB 0.246 41.194 40.800 0.246 0.000 0.906 484 D HN 0.287 nan 8.370 nan 0.000 0.528 485 G N -0.678 108.168 108.800 0.075 0.000 2.154 485 G HA2 -0.214 3.747 3.960 0.001 0.000 0.186 485 G HA3 -0.214 3.747 3.960 0.001 0.000 0.186 485 G C -0.465 174.311 174.900 -0.206 0.000 1.000 485 G CA -0.461 44.592 45.100 -0.077 0.000 0.664 485 G HN 0.321 nan 8.290 nan 0.000 0.513 486 Y N -0.999 119.311 120.300 0.017 0.000 2.446 486 Y HA 0.750 5.301 4.550 0.002 0.000 0.338 486 Y C 0.231 176.111 175.900 -0.032 0.000 1.055 486 Y CA -1.243 56.829 58.100 -0.047 0.000 1.101 486 Y CB 1.851 40.245 38.460 -0.109 0.000 1.221 486 Y HN 0.187 nan 8.280 nan 0.000 0.460 487 L N 3.652 124.944 121.223 0.114 0.000 2.307 487 L HA 0.560 4.901 4.340 0.001 0.000 0.284 487 L C -1.155 175.712 176.870 -0.005 0.000 1.023 487 L CA -0.650 54.245 54.840 0.092 0.000 0.810 487 L CB 0.745 42.881 42.059 0.129 0.000 1.231 487 L HN 0.595 nan 8.230 nan 0.000 0.423 488 K N 3.755 124.087 120.400 -0.114 0.000 2.443 488 K HA 0.918 5.239 4.320 0.001 0.000 0.251 488 K C -1.451 175.114 176.600 -0.058 0.000 0.972 488 K CA -0.983 55.195 56.287 -0.181 0.000 0.833 488 K CB 2.197 34.374 32.500 -0.538 0.000 1.317 488 K HN 0.653 nan 8.250 nan 0.000 0.441 489 A N 2.547 125.325 122.820 -0.071 0.000 2.359 489 A HA 0.660 4.981 4.320 0.001 0.000 0.303 489 A C -1.118 176.310 177.584 -0.260 0.000 1.066 489 A CA -0.726 51.059 52.037 -0.419 0.000 0.730 489 A CB 0.577 19.011 19.000 -0.943 0.000 1.211 489 A HN 0.579 nan 8.150 nan 0.000 0.439 490 L N 1.336 122.422 121.223 -0.228 0.000 2.333 490 L HA 0.444 4.785 4.340 0.001 0.000 0.269 490 L C -0.305 176.415 176.870 -0.250 0.000 1.010 490 L CA -1.105 53.626 54.840 -0.182 0.000 0.818 490 L CB 1.750 43.755 42.059 -0.089 0.000 1.306 490 L HN 0.702 nan 8.230 nan 0.000 0.430 491 D N 1.337 121.580 120.400 -0.260 0.000 2.401 491 D HA -0.037 4.603 4.640 0.001 0.000 0.254 491 D C 0.947 177.096 176.300 -0.251 0.000 1.192 491 D CA 0.076 53.939 54.000 -0.227 0.000 0.885 491 D CB 0.802 41.470 40.800 -0.220 0.000 1.147 491 D HN 0.692 nan 8.370 nan 0.000 0.478 492 N N 3.295 121.927 118.700 -0.114 0.000 2.520 492 N HA -0.194 4.547 4.740 0.001 0.000 0.185 492 N C 1.475 177.092 175.510 0.178 0.000 1.068 492 N CA 0.411 53.458 53.050 -0.005 0.000 0.911 492 N CB 0.184 38.690 38.487 0.032 0.000 0.961 492 N HN 0.323 nan 8.380 nan 0.000 0.446 493 K N 0.923 121.326 120.400 0.004 0.000 2.062 493 K HA -0.136 4.184 4.320 0.001 0.000 0.205 493 K C 0.306 176.820 176.600 -0.144 0.000 1.051 493 K CA 1.844 58.149 56.287 0.030 0.000 0.941 493 K CB 0.151 32.639 32.500 -0.019 0.000 0.719 493 K HN 0.431 nan 8.250 nan 0.000 0.440 494 D N -2.787 117.298 120.400 -0.525 0.000 2.525 494 D HA 0.133 4.774 4.640 0.001 0.000 0.231 494 D C 0.755 176.261 176.300 -1.322 0.000 1.216 494 D CA 0.435 53.967 54.000 -0.780 0.000 0.813 494 D CB 0.508 41.099 40.800 -0.348 0.000 1.108 494 D HN 0.310 nan 8.370 nan 0.000 0.524 495 G N 1.230 108.992 108.800 -1.730 0.000 2.148 495 G HA2 -0.363 3.598 3.960 0.001 0.000 0.254 495 G HA3 -0.363 3.598 3.960 0.001 0.000 0.254 495 G C 0.178 174.702 174.900 -0.625 0.000 0.981 495 G CA 0.291 44.440 45.100 -1.585 0.000 0.670 495 G HN 0.609 nan 8.290 nan 0.000 0.528 496 K N 1.036 121.157 120.400 -0.464 0.000 2.416 496 K HA 0.282 4.603 4.320 0.001 0.000 0.283 496 K C 0.545 177.025 176.600 -0.200 0.000 1.037 496 K CA -0.159 55.972 56.287 -0.260 0.000 0.995 496 K CB 0.266 32.640 32.500 -0.210 0.000 0.938 496 K HN 0.384 nan 8.250 nan 0.000 0.475 497 E N 5.037 125.157 120.200 -0.134 0.000 2.217 497 E HA 0.004 4.355 4.350 0.001 0.000 0.279 497 E C 0.176 176.722 176.600 -0.091 0.000 1.068 497 E CA -0.126 56.215 56.400 -0.098 0.000 0.882 497 E CB 0.494 30.148 29.700 -0.077 0.000 1.039 497 E HN 0.670 nan 8.360 nan 0.000 0.418 498 L N 4.400 125.573 121.223 -0.083 0.000 2.515 498 L HA 0.319 4.660 4.340 0.001 0.000 0.223 498 L C 0.166 177.083 176.870 0.079 0.000 1.079 498 L CA -0.249 54.567 54.840 -0.041 0.000 0.857 498 L CB 0.245 42.251 42.059 -0.089 0.000 1.050 498 L HN 0.599 nan 8.230 nan 0.000 0.476 499 W N 0.988 122.182 121.300 -0.176 0.000 3.275 499 W HA 0.380 5.041 4.660 0.000 0.000 0.306 499 W C -1.803 174.646 176.519 -0.116 0.000 1.259 499 W CA -0.804 56.465 57.345 -0.126 0.000 1.194 499 W CB 1.185 30.561 29.460 -0.140 0.000 1.375 499 W HN 0.056 nan 8.180 nan 0.000 0.564 500 N N 2.451 120.538 118.700 -1.022 0.000 2.859 500 N HA 0.669 5.410 4.740 0.001 0.000 0.250 500 N C -2.347 172.449 175.510 -1.189 0.000 1.341 500 N CA -0.713 51.747 53.050 -0.984 0.000 0.881 500 N CB 2.068 40.301 38.487 -0.424 0.000 1.516 500 N HN 0.425 nan 8.380 nan 0.000 0.503 501 F N 0.209 119.643 119.950 -0.860 0.000 2.596 501 F HA 0.554 5.081 4.527 0.001 0.000 0.311 501 F C -1.046 174.637 175.800 -0.195 0.000 1.116 501 F CA -0.815 56.907 58.000 -0.464 0.000 0.957 501 F CB 1.933 40.720 39.000 -0.354 0.000 1.250 501 F HN 0.657 nan 8.300 nan 0.000 0.444 502 K N 7.238 127.000 120.400 -1.064 0.000 2.250 502 K HA 0.360 4.681 4.320 0.001 0.000 0.285 502 K C -0.644 175.513 176.600 -0.739 0.000 1.097 502 K CA -0.058 55.610 56.287 -1.031 0.000 0.913 502 K CB 0.011 31.953 32.500 -0.931 0.000 1.179 502 K HN 0.723 nan 8.250 nan 0.000 0.462 503 M N 5.328 124.759 119.600 -0.282 0.000 2.103 503 M HA 0.159 4.640 4.480 0.001 0.000 0.291 503 M C -1.279 174.850 176.300 -0.284 0.000 1.216 503 M CA -1.762 53.494 55.300 -0.072 0.000 1.132 503 M CB 0.225 32.857 32.600 0.054 0.000 1.396 503 M HN 0.368 nan 8.290 nan 0.000 0.479 504 P HA -0.038 nan 4.420 nan 0.000 0.218 504 P C 0.013 177.182 177.300 -0.218 0.000 1.149 504 P CA 0.965 63.835 63.100 -0.384 0.000 0.817 504 P CB 0.306 31.653 31.700 -0.588 0.000 0.785 505 S N -2.469 113.145 115.700 -0.144 0.000 2.638 505 S HA 0.640 5.110 4.470 0.001 0.000 0.274 505 S C -0.224 174.412 174.600 0.060 0.000 1.157 505 S CA -0.655 57.550 58.200 0.008 0.000 0.826 505 S CB 0.729 63.999 63.200 0.118 0.000 1.139 505 S HN 0.050 nan 8.310 nan 0.000 0.474 506 G N 0.290 109.124 108.800 0.057 0.000 2.554 506 G HA2 0.468 4.429 3.960 0.001 0.000 0.238 506 G HA3 0.468 4.429 3.960 0.001 0.000 0.238 506 G C 0.253 175.250 174.900 0.162 0.000 1.259 506 G CA 0.088 45.240 45.100 0.088 0.000 0.843 506 G HN 0.917 nan 8.290 nan 0.000 0.582 507 G N -0.365 108.557 108.800 0.204 0.000 2.415 507 G HA2 0.507 4.467 3.960 0.001 0.000 0.327 507 G HA3 0.507 4.467 3.960 0.001 0.000 0.327 507 G C 0.486 175.558 174.900 0.286 0.000 1.182 507 G CA -0.665 44.588 45.100 0.255 0.000 0.924 507 G HN 1.016 nan 8.290 nan 0.000 0.470 508 I N 0.552 121.312 120.570 0.316 0.000 3.947 508 I HA 0.463 4.634 4.170 0.001 0.000 0.327 508 I C 0.626 177.005 176.117 0.436 0.000 1.519 508 I CA -0.637 60.912 61.300 0.414 0.000 1.122 508 I CB 0.758 39.008 38.000 0.416 0.000 1.146 508 I HN 0.412 nan 8.210 nan 0.000 0.442 509 G N 0.463 109.484 108.800 0.369 0.000 2.735 509 G HA2 0.564 4.525 3.960 0.001 0.000 0.301 509 G HA3 0.564 4.525 3.960 0.001 0.000 0.301 509 G C -1.328 173.760 174.900 0.314 0.000 1.279 509 G CA -0.551 44.765 45.100 0.360 0.000 1.019 509 G HN 0.082 nan 8.290 nan 0.000 0.497 510 S N -0.052 115.813 115.700 0.275 0.000 2.509 510 S HA 0.697 5.168 4.470 0.001 0.000 0.297 510 S C -2.427 172.357 174.600 0.306 0.000 1.118 510 S CA -1.207 57.157 58.200 0.273 0.000 1.074 510 S CB 1.534 64.797 63.200 0.105 0.000 1.038 510 S HN 0.280 nan 8.310 nan 0.000 0.498 511 P HA 0.330 nan 4.420 nan 0.000 0.272 511 P C -0.829 176.437 177.300 -0.057 0.000 1.230 511 P CA -0.316 62.854 63.100 0.117 0.000 0.788 511 P CB 0.473 32.229 31.700 0.095 0.000 0.949 512 M N -0.893 118.501 119.600 -0.344 0.000 2.719 512 M HA 0.837 5.317 4.480 0.001 0.000 0.291 512 M C -0.477 175.374 176.300 -0.748 0.000 1.264 512 M CA -0.448 54.305 55.300 -0.912 0.000 0.811 512 M CB 1.512 33.356 32.600 -1.261 0.000 1.756 512 M HN 0.129 nan 8.290 nan 0.000 0.464 513 T N 0.014 114.064 114.554 -0.839 0.000 2.868 513 T HA 0.855 5.206 4.350 0.001 0.000 0.306 513 T C -2.147 172.538 174.700 -0.024 0.000 1.224 513 T CA -0.427 61.444 62.100 -0.381 0.000 1.012 513 T CB 1.204 69.845 68.868 -0.378 0.000 1.221 513 T HN 1.107 nan 8.240 nan 0.000 0.499 514 Y N -0.632 119.633 120.300 -0.057 0.000 2.750 514 Y HA 0.738 5.289 4.550 0.001 0.000 0.335 514 Y C -1.025 174.965 175.900 0.151 0.000 1.252 514 Y CA -1.075 57.073 58.100 0.081 0.000 1.064 514 Y CB 0.632 39.141 38.460 0.081 0.000 1.321 514 Y HN 0.669 nan 8.280 nan 0.000 0.451 515 S N 1.305 117.182 115.700 0.295 0.000 2.542 515 S HA 0.830 5.301 4.470 0.001 0.000 0.293 515 S C -1.759 173.129 174.600 0.479 0.000 1.089 515 S CA -0.522 57.826 58.200 0.246 0.000 0.961 515 S CB 2.294 65.572 63.200 0.131 0.000 1.062 515 S HN 1.025 nan 8.310 nan 0.000 0.483 516 F N 2.116 122.250 119.950 0.306 0.000 2.573 516 F HA 0.527 5.055 4.527 0.001 0.000 0.316 516 F C -0.110 175.816 175.800 0.210 0.000 1.148 516 F CA -0.774 57.381 58.000 0.258 0.000 0.940 516 F CB 1.465 40.621 39.000 0.260 0.000 1.214 516 F HN 0.922 nan 8.300 nan 0.000 0.448 517 K N 4.666 124.756 120.400 -0.518 0.000 3.148 517 K HA -0.183 4.138 4.320 0.001 0.000 0.267 517 K C 0.893 177.408 176.600 -0.141 0.000 0.996 517 K CA 0.903 56.939 56.287 -0.417 0.000 0.737 517 K CB -1.568 30.586 32.500 -0.576 0.000 1.308 517 K HN 1.498 nan 8.250 nan 0.000 0.470 518 G N 0.070 108.830 108.800 -0.067 0.000 2.175 518 G HA2 -0.385 3.576 3.960 0.001 0.000 0.265 518 G HA3 -0.385 3.576 3.960 0.001 0.000 0.265 518 G C -0.015 174.862 174.900 -0.038 0.000 0.979 518 G CA 1.042 46.120 45.100 -0.037 0.000 0.663 518 G HN 0.416 nan 8.290 nan 0.000 0.533 519 K N 0.326 120.718 120.400 -0.012 0.000 2.244 519 K HA 0.513 4.834 4.320 0.001 0.000 0.260 519 K C 0.255 176.729 176.600 -0.211 0.000 0.951 519 K CA -0.727 55.479 56.287 -0.135 0.000 0.826 519 K CB 0.907 33.300 32.500 -0.179 0.000 1.108 519 K HN 0.246 nan 8.250 nan 0.000 0.433 520 Q N 3.367 122.976 119.800 -0.319 0.000 2.286 520 Q HA 0.168 4.509 4.340 0.001 0.000 0.257 520 Q C -1.518 174.114 176.000 -0.613 0.000 0.941 520 Q CA -0.250 55.351 55.803 -0.336 0.000 0.912 520 Q CB 0.594 29.186 28.738 -0.244 0.000 1.192 520 Q HN 0.514 nan 8.270 nan 0.000 0.410 521 Y N 2.676 122.633 120.300 -0.572 0.000 2.485 521 Y HA 0.479 5.030 4.550 0.002 0.000 0.345 521 Y C -0.213 175.288 175.900 -0.665 0.000 0.998 521 Y CA -1.062 56.643 58.100 -0.659 0.000 1.059 521 Y CB 1.590 39.463 38.460 -0.979 0.000 1.234 521 Y HN 0.483 nan 8.280 nan 0.000 0.461 522 I N 2.196 122.545 120.570 -0.368 0.000 2.406 522 I HA 0.500 4.671 4.170 0.001 0.000 0.290 522 I C 0.231 176.239 176.117 -0.182 0.000 0.999 522 I CA -0.483 60.536 61.300 -0.469 0.000 1.124 522 I CB 1.270 38.749 38.000 -0.869 0.000 1.289 522 I HN 0.754 nan 8.210 nan 0.000 0.441 523 G N 3.166 111.870 108.800 -0.160 0.000 2.495 523 G HA2 0.564 4.525 3.960 0.001 0.000 0.318 523 G HA3 0.564 4.525 3.960 0.001 0.000 0.318 523 G C -1.196 173.699 174.900 -0.008 0.000 1.257 523 G CA -0.433 44.633 45.100 -0.057 0.000 0.962 523 G HN 0.509 nan 8.290 nan 0.000 0.483 524 S N 1.637 117.395 115.700 0.097 0.000 2.548 524 S HA 0.601 5.072 4.470 0.001 0.000 0.276 524 S C -0.041 174.670 174.600 0.185 0.000 1.129 524 S CA -0.817 57.483 58.200 0.166 0.000 0.931 524 S CB 1.075 64.421 63.200 0.243 0.000 1.068 524 S HN 0.455 nan 8.310 nan 0.000 0.480 525 M N 3.739 123.442 119.600 0.172 0.000 2.202 525 M HA 0.382 4.862 4.480 0.001 0.000 0.316 525 M C -0.450 175.968 176.300 0.195 0.000 1.138 525 M CA -0.156 55.212 55.300 0.113 0.000 1.151 525 M CB 0.158 32.839 32.600 0.136 0.000 1.422 525 M HN 0.798 nan 8.290 nan 0.000 0.471 526 Y N -2.430 117.917 120.300 0.080 0.000 2.562 526 Y HA 0.752 5.302 4.550 0.000 0.000 0.345 526 Y C -0.292 175.595 175.900 -0.022 0.000 1.045 526 Y CA -1.595 56.539 58.100 0.057 0.000 1.028 526 Y CB 1.429 39.917 38.460 0.046 0.000 1.297 526 Y HN 0.914 nan 8.280 nan 0.000 0.463 527 G N 1.282 110.210 108.800 0.214 0.000 2.648 527 G HA2 0.196 4.157 3.960 0.001 0.000 0.317 527 G HA3 0.196 4.157 3.960 0.001 0.000 0.317 527 G C -1.656 173.328 174.900 0.139 0.000 1.216 527 G CA -0.543 44.614 45.100 0.095 0.000 1.210 527 G HN 1.019 nan 8.290 nan 0.000 0.583 528 V N 2.106 122.077 119.914 0.095 0.000 2.963 528 V HA 0.838 4.959 4.120 0.001 0.000 0.306 528 V C 1.200 177.314 176.094 0.033 0.000 1.077 528 V CA 2.302 64.632 62.300 0.051 0.000 1.124 528 V CB 1.397 33.212 31.823 -0.013 0.000 0.987 528 V HN 2.344 nan 8.190 nan 0.000 0.487 529 G N 2.670 111.470 108.800 -0.001 0.000 2.512 529 G HA2 0.589 4.549 3.960 0.001 0.000 0.181 529 G HA3 0.589 4.549 3.960 0.001 0.000 0.181 529 G C 0.199 175.090 174.900 -0.014 0.000 1.173 529 G CA 0.216 45.315 45.100 -0.001 0.000 0.988 529 G HN 2.096 nan 8.290 nan 0.000 0.485 530 G N -1.653 107.203 108.800 0.093 0.000 2.752 530 G HA2 -0.079 3.882 3.960 0.001 0.000 0.234 530 G HA3 -0.079 3.882 3.960 0.001 0.000 0.234 530 G C 0.860 175.835 174.900 0.125 0.000 1.367 530 G CA 0.832 46.030 45.100 0.163 0.000 0.879 530 G HN 1.749 nan 8.290 nan 0.000 0.563 531 W N 1.440 122.709 121.300 -0.051 0.000 2.335 531 W HA -0.006 4.654 4.660 0.001 0.000 0.311 531 W C -0.059 176.242 176.519 -0.365 0.000 1.213 531 W CA 2.780 60.069 57.345 -0.093 0.000 1.274 531 W CB -1.661 27.860 29.460 0.102 0.000 1.148 531 W HN 0.465 nan 8.180 nan 0.000 0.498 532 P HA -0.087 nan 4.420 nan 0.000 0.218 532 P C 1.396 178.244 177.300 -0.753 0.000 1.148 532 P CA 2.690 65.012 63.100 -1.296 0.000 0.822 532 P CB -0.523 30.130 31.700 -1.745 0.000 0.784 533 G N -0.865 107.704 108.800 -0.385 0.000 3.337 533 G HA2 0.062 4.023 3.960 0.001 0.000 0.246 533 G HA3 0.062 4.023 3.960 0.001 0.000 0.246 533 G C 1.277 176.169 174.900 -0.014 0.000 1.131 533 G CA 0.122 45.112 45.100 -0.182 0.000 0.773 533 G HN 0.236 nan 8.290 nan 0.000 0.544 534 V N -0.812 119.167 119.914 0.109 0.000 2.392 534 V HA -0.063 4.058 4.120 0.001 0.000 0.249 534 V C 2.617 178.881 176.094 0.284 0.000 1.059 534 V CA 2.081 64.571 62.300 0.316 0.000 1.051 534 V CB -1.150 30.890 31.823 0.363 0.000 0.658 534 V HN 0.186 nan 8.190 nan 0.000 0.455 535 G N 0.590 109.493 108.800 0.171 0.000 2.433 535 G HA2 -0.246 3.715 3.960 0.001 0.000 0.216 535 G HA3 -0.246 3.715 3.960 0.001 0.000 0.216 535 G C 1.510 176.472 174.900 0.102 0.000 1.186 535 G CA 1.321 46.509 45.100 0.148 0.000 0.779 535 G HN 0.535 nan 8.290 nan 0.000 0.543 536 L N 0.822 122.075 121.223 0.049 0.000 2.005 536 L HA 0.025 4.365 4.340 0.001 0.000 0.207 536 L C 2.906 179.747 176.870 -0.049 0.000 1.072 536 L CA 1.535 56.377 54.840 0.003 0.000 0.744 536 L CB -0.701 41.343 42.059 -0.024 0.000 0.895 536 L HN 0.076 nan 8.230 nan 0.000 0.433 537 V N -0.580 119.262 119.914 -0.121 0.000 2.332 537 V HA -0.265 3.856 4.120 0.001 0.000 0.248 537 V C 1.835 177.624 176.094 -0.508 0.000 1.055 537 V CA 2.111 64.195 62.300 -0.360 0.000 1.038 537 V CB -0.708 30.778 31.823 -0.562 0.000 0.651 537 V HN 0.421 nan 8.190 nan 0.000 0.450 538 F N -0.863 119.098 119.950 0.017 0.000 2.639 538 F HA 0.322 4.849 4.527 0.002 0.000 0.302 538 F C 0.681 176.488 175.800 0.012 0.000 1.097 538 F CA -0.420 57.587 58.000 0.012 0.000 1.294 538 F CB -0.035 38.966 39.000 0.003 0.000 1.027 538 F HN 0.076 nan 8.300 nan 0.000 0.550 539 D N 1.879 122.349 120.400 0.118 0.000 2.699 539 D HA -0.184 4.457 4.640 0.001 0.000 0.239 539 D C -0.334 176.025 176.300 0.098 0.000 1.136 539 D CA 0.610 54.661 54.000 0.086 0.000 0.668 539 D CB -1.105 39.733 40.800 0.064 0.000 1.060 539 D HN 0.282 nan 8.370 nan 0.000 0.429 540 L N 0.148 121.441 121.223 0.118 0.000 2.334 540 L HA 0.356 4.696 4.340 0.001 0.000 0.277 540 L C 1.984 178.903 176.870 0.081 0.000 1.075 540 L CA -0.153 54.744 54.840 0.096 0.000 0.804 540 L CB 1.431 43.555 42.059 0.108 0.000 1.174 540 L HN 0.029 nan 8.230 nan 0.000 0.438 541 T N -4.026 110.566 114.554 0.063 0.000 2.964 541 T HA 0.033 4.383 4.350 0.001 0.000 0.250 541 T C 0.427 175.161 174.700 0.057 0.000 0.982 541 T CA -0.342 61.794 62.100 0.059 0.000 0.959 541 T CB 0.096 68.992 68.868 0.046 0.000 1.141 541 T HN 0.433 nan 8.240 nan 0.000 0.494 542 D N 4.567 124.996 120.400 0.048 0.000 2.412 542 D HA 0.127 4.768 4.640 0.001 0.000 0.257 542 D C -0.987 175.350 176.300 0.062 0.000 1.217 542 D CA -2.114 51.912 54.000 0.043 0.000 0.897 542 D CB 1.492 42.307 40.800 0.025 0.000 1.132 542 D HN 0.087 nan 8.370 nan 0.000 0.493 543 P HA -0.181 nan 4.420 nan 0.000 0.220 543 P C 0.869 178.227 177.300 0.096 0.000 1.144 543 P CA 0.979 64.132 63.100 0.088 0.000 0.800 543 P CB 0.133 31.884 31.700 0.084 0.000 0.772 544 S N -1.701 114.045 115.700 0.076 0.000 2.524 544 S HA 0.327 4.798 4.470 0.001 0.000 0.216 544 S C 1.225 175.865 174.600 0.068 0.000 0.987 544 S CA -0.089 58.157 58.200 0.076 0.000 0.909 544 S CB -0.610 62.620 63.200 0.051 0.000 0.781 544 S HN 0.193 nan 8.310 nan 0.000 0.521 545 A N 1.074 123.930 122.820 0.059 0.000 2.346 545 A HA 0.574 4.895 4.320 0.001 0.000 0.255 545 A C 1.455 179.096 177.584 0.094 0.000 1.113 545 A CA 0.031 52.092 52.037 0.039 0.000 0.798 545 A CB -1.110 17.906 19.000 0.027 0.000 1.073 545 A HN 1.537 nan 8.150 nan 0.000 0.502 546 G N -1.198 107.641 108.800 0.065 0.000 2.249 546 G HA2 -0.096 3.865 3.960 0.001 0.000 0.273 546 G HA3 -0.096 3.865 3.960 0.001 0.000 0.273 546 G C 0.375 175.485 174.900 0.351 0.000 1.036 546 G CA 0.202 45.405 45.100 0.173 0.000 0.824 546 G HN 1.749 nan 8.290 nan 0.000 0.504 547 L N -3.186 118.146 121.223 0.182 0.000 3.737 547 L HA -0.251 4.090 4.340 0.001 0.000 0.418 547 L C 2.024 179.141 176.870 0.412 0.000 1.216 547 L CA 1.062 56.056 54.840 0.257 0.000 0.915 547 L CB -1.563 40.694 42.059 0.329 0.000 1.834 547 L HN 2.045 nan 8.230 nan 0.000 0.943 548 G N -1.910 107.047 108.800 0.261 0.000 2.241 548 G HA2 -0.296 3.665 3.960 0.001 0.000 0.244 548 G HA3 -0.296 3.665 3.960 0.001 0.000 0.244 548 G C 0.951 175.962 174.900 0.185 0.000 0.998 548 G CA 0.653 45.881 45.100 0.214 0.000 0.621 548 G HN 0.962 nan 8.290 nan 0.000 0.519 549 A N 0.237 123.188 122.820 0.218 0.000 1.969 549 A HA 0.328 4.649 4.320 0.001 0.000 0.218 549 A C 2.588 180.318 177.584 0.242 0.000 1.169 549 A CA 2.511 54.634 52.037 0.143 0.000 0.635 549 A CB -0.488 18.488 19.000 -0.038 0.000 0.810 549 A HN 1.120 nan 8.150 nan 0.000 0.445 550 V N 0.071 120.111 119.914 0.210 0.000 2.282 550 V HA -0.275 3.846 4.120 0.001 0.000 0.249 550 V C 2.806 179.005 176.094 0.176 0.000 1.057 550 V CA 2.205 64.618 62.300 0.188 0.000 1.032 550 V CB -1.488 30.422 31.823 0.145 0.000 0.645 550 V HN 0.608 nan 8.190 nan 0.000 0.447 551 G N -0.838 108.050 108.800 0.148 0.000 2.408 551 G HA2 -0.159 3.802 3.960 0.001 0.000 0.217 551 G HA3 -0.159 3.802 3.960 0.001 0.000 0.217 551 G C 1.747 176.712 174.900 0.107 0.000 1.150 551 G CA 0.985 46.159 45.100 0.124 0.000 0.776 551 G HN 0.635 nan 8.290 nan 0.000 0.542 552 A N 0.185 123.056 122.820 0.085 0.000 1.930 552 A HA 0.223 4.544 4.320 0.001 0.000 0.217 552 A C 1.621 179.072 177.584 -0.220 0.000 1.175 552 A CA 0.805 52.796 52.037 -0.077 0.000 0.627 552 A CB -0.332 18.568 19.000 -0.167 0.000 0.815 552 A HN 0.313 nan 8.150 nan 0.000 0.443 553 F N 0.076 120.089 119.950 0.106 0.000 2.730 553 F HA 0.190 4.718 4.527 0.002 0.000 0.295 553 F C 1.876 177.757 175.800 0.134 0.000 1.143 553 F CA -0.049 58.035 58.000 0.140 0.000 1.367 553 F CB 0.104 39.125 39.000 0.034 0.000 0.970 553 F HN 0.306 nan 8.300 nan 0.000 0.514 554 R N 0.308 120.943 120.500 0.226 0.000 2.159 554 R HA -0.168 4.173 4.340 0.001 0.000 0.237 554 R C 1.084 177.502 176.300 0.196 0.000 1.131 554 R CA 1.886 58.094 56.100 0.180 0.000 0.982 554 R CB -0.580 29.798 30.300 0.131 0.000 0.868 554 R HN 0.340 nan 8.270 nan 0.000 0.453 555 E N 0.604 120.969 120.200 0.274 0.000 2.435 555 E HA -0.060 4.290 4.350 0.001 0.000 0.195 555 E C 1.698 178.551 176.600 0.422 0.000 1.029 555 E CA 0.136 56.741 56.400 0.342 0.000 0.865 555 E CB 0.053 30.004 29.700 0.418 0.000 0.833 555 E HN 0.177 nan 8.360 nan 0.000 0.510 556 L N 2.085 123.481 121.223 0.288 0.000 2.043 556 L HA -0.278 4.062 4.340 0.001 0.000 0.212 556 L C 2.327 179.236 176.870 0.065 0.000 1.075 556 L CA 2.001 56.828 54.840 -0.021 0.000 0.752 556 L CB -0.519 41.445 42.059 -0.159 0.000 0.891 556 L HN 0.155 nan 8.230 nan 0.000 0.432 557 Q N -1.712 118.132 119.800 0.074 0.000 2.508 557 Q HA -0.175 4.166 4.340 0.001 0.000 0.214 557 Q C 1.198 177.215 176.000 0.030 0.000 0.979 557 Q CA 1.769 57.596 55.803 0.041 0.000 0.911 557 Q CB -0.797 27.964 28.738 0.038 0.000 0.969 557 Q HN 0.681 nan 8.270 nan 0.000 0.504 558 N N -0.576 118.148 118.700 0.040 0.000 2.336 558 N HA 0.035 4.775 4.740 0.001 0.000 0.189 558 N C 0.748 176.108 175.510 -0.251 0.000 1.113 558 N CA 0.057 53.051 53.050 -0.093 0.000 0.858 558 N CB 0.341 38.756 38.487 -0.120 0.000 0.970 558 N HN 0.329 nan 8.380 nan 0.000 0.471 559 H N -1.684 117.421 119.070 0.060 0.000 2.927 559 H HA 0.204 4.760 4.556 0.001 0.000 0.255 559 H C 0.270 175.598 175.328 0.001 0.000 0.974 559 H CA 0.636 56.723 56.048 0.065 0.000 1.199 559 H CB 1.332 31.179 29.762 0.142 0.000 1.447 559 H HN -0.024 nan 8.280 nan 0.000 0.467 560 T N 0.504 115.105 114.554 0.078 0.000 2.821 560 T HA 0.359 4.710 4.350 0.001 0.000 0.306 560 T C -1.362 173.333 174.700 -0.009 0.000 1.313 560 T CA -0.738 61.369 62.100 0.011 0.000 1.012 560 T CB 2.482 71.346 68.868 -0.006 0.000 1.298 560 T HN -0.035 nan 8.240 nan 0.000 0.502 561 Q N 1.368 121.158 119.800 -0.017 0.000 2.495 561 Q HA 0.530 4.871 4.340 0.001 0.000 0.283 561 Q C -0.111 175.882 176.000 -0.012 0.000 1.097 561 Q CA -0.910 54.882 55.803 -0.018 0.000 0.836 561 Q CB 1.892 30.618 28.738 -0.020 0.000 1.426 561 Q HN 0.726 nan 8.270 nan 0.000 0.459 562 M N -0.036 119.555 119.600 -0.015 0.000 2.184 562 M HA 0.423 4.904 4.480 0.001 0.000 0.296 562 M C 0.588 176.899 176.300 0.018 0.000 1.165 562 M CA 0.617 55.914 55.300 -0.004 0.000 1.175 562 M CB 0.324 32.911 32.600 -0.022 0.000 1.392 562 M HN 0.801 nan 8.290 nan 0.000 0.457 563 G N -0.807 108.010 108.800 0.028 0.000 2.488 563 G HA2 0.632 4.593 3.960 0.001 0.000 0.301 563 G HA3 0.632 4.593 3.960 0.001 0.000 0.301 563 G C -1.562 173.250 174.900 -0.147 0.000 1.339 563 G CA -0.217 44.909 45.100 0.043 0.000 0.803 563 G HN 0.948 nan 8.290 nan 0.000 0.482 564 G N -1.178 107.408 108.800 -0.357 0.000 2.078 564 G HA2 0.809 4.770 3.960 0.001 0.000 0.297 564 G HA3 0.809 4.770 3.960 0.001 0.000 0.297 564 G C -0.213 174.090 174.900 -0.995 0.000 1.370 564 G CA 0.768 45.215 45.100 -1.088 0.000 1.222 564 G HN 2.004 nan 8.290 nan 0.000 0.586 565 G N -0.307 107.673 108.800 -1.366 0.000 2.341 565 G HA2 0.655 4.615 3.960 0.001 0.000 0.299 565 G HA3 0.655 4.615 3.960 0.001 0.000 0.299 565 G C -2.219 172.160 174.900 -0.869 0.000 1.274 565 G CA -0.313 44.147 45.100 -1.067 0.000 0.853 565 G HN 1.547 nan 8.290 nan 0.000 0.493 566 L N -0.319 120.740 121.223 -0.274 0.000 2.401 566 L HA 0.929 5.270 4.340 0.001 0.000 0.266 566 L C -0.563 176.365 176.870 0.097 0.000 0.991 566 L CA -0.727 54.099 54.840 -0.024 0.000 0.818 566 L CB 1.977 44.039 42.059 0.005 0.000 1.321 566 L HN 0.665 nan 8.230 nan 0.000 0.413 567 M N 4.567 124.205 119.600 0.063 0.000 2.395 567 M HA 0.598 5.078 4.480 0.001 0.000 0.307 567 M C -1.437 174.609 176.300 -0.422 0.000 1.091 567 M CA -0.803 54.391 55.300 -0.176 0.000 0.919 567 M CB 2.250 34.837 32.600 -0.021 0.000 1.662 567 M HN 0.387 nan 8.290 nan 0.000 0.440 568 V N 3.352 122.751 119.914 -0.859 0.000 2.680 568 V HA 0.637 4.758 4.120 0.001 0.000 0.309 568 V C -1.064 174.533 176.094 -0.828 0.000 1.052 568 V CA -0.527 61.318 62.300 -0.759 0.000 0.908 568 V CB 2.135 33.249 31.823 -1.181 0.000 1.001 568 V HN 0.661 nan 8.190 nan 0.000 0.431 569 F N 1.522 121.322 119.950 -0.251 0.000 2.593 569 F HA 0.882 5.411 4.527 0.003 0.000 0.320 569 F C 0.349 175.999 175.800 -0.251 0.000 1.060 569 F CA -0.396 57.471 58.000 -0.222 0.000 0.940 569 F CB 2.368 41.226 39.000 -0.237 0.000 1.268 569 F HN 0.632 nan 8.300 nan 0.000 0.475 570 S N 0.246 115.902 115.700 -0.074 0.000 2.656 570 S HA 0.658 5.129 4.470 0.001 0.000 0.265 570 S C -1.516 172.973 174.600 -0.185 0.000 1.132 570 S CA -1.115 56.921 58.200 -0.274 0.000 0.819 570 S CB 0.681 63.543 63.200 -0.563 0.000 1.119 570 S HN 0.589 nan 8.310 nan 0.000 0.476 571 L N 0.000 121.092 121.223 -0.218 0.000 2.949 571 L HA 0.000 4.341 4.340 0.001 0.000 0.249 571 L CA 0.000 54.760 54.840 -0.134 0.000 0.813 571 L CB 0.000 41.979 42.059 -0.134 0.000 0.961 571 L HN 0.000 nan 8.230 nan 0.000 0.502