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 2zof_1_B DATA FIRST_RESID -3 DATA SEQUENCE SPNSMSALKA VFQYIDENQD RYVKKLAEWV AIQSVSAWPE KRGEIRRMME DATA SEQUENCE VAAADVQRLG GSVELVDIGK QKLPDGSEIP LPPILLGKLG SDPQKKTVCI DATA SEQUENCE YGHLDVQPAA LEDGWDSEPF TLVEREGKLY GRGSTDDKGP VAGWMNALEA DATA SEQUENCE YQKTGQEIPV NLRFCLEGME ESGSEGLDEL IFAQKDKFFK DVDYVCISDN DATA SEQUENCE YWLGKNKPCI TYGLRGICYF FIEVECSDKD LHSGVYGGSV HEAMTDLISL DATA SEQUENCE MGCLVDKKGK ILIPGINDAV APVTDEEHAL YDHIDFDMEE FAKDVGAETL DATA SEQUENCE LHSCKKDILM HRWRYPSLSL HGIEGAFSGS GAKTVIPRKV VGKFSIRLVP DATA SEQUENCE DMIPEVVSEQ VSSYLSKKFA ELQSPNKFKV YMGHGGKPWV SDFNHPHYQA DATA SEQUENCE GRRALKTVFG VEPDLTREGG SIPVTLTFQE ATGKNVMLLP VGSADDGAHS DATA SEQUENCE QNEKLNRLNY IEGTKMLAAY LYEVSQLK 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 -3 S HA 0.000 nan 4.470 nan 0.000 0.327 -3 S C 0.000 174.666 174.600 0.110 0.000 1.055 -3 S CA 0.000 58.260 58.200 0.100 0.000 1.107 -3 S CB 0.000 63.271 63.200 0.118 0.000 0.593 -2 P HA -0.123 nan 4.420 nan 0.000 0.219 -2 P C 0.466 177.790 177.300 0.040 0.000 1.161 -2 P CA 1.486 64.615 63.100 0.049 0.000 0.909 -2 P CB 0.024 31.749 31.700 0.041 0.000 0.793 -1 N N -1.954 116.791 118.700 0.074 0.000 2.321 -1 N HA 0.059 4.808 4.740 0.014 0.000 0.242 -1 N C 0.870 176.315 175.510 -0.108 0.000 1.141 -1 N CA 0.186 53.245 53.050 0.015 0.000 0.864 -1 N CB -0.106 38.408 38.487 0.045 0.000 1.100 -1 N HN 0.172 nan 8.380 nan 0.000 0.510 0 S N -0.203 115.418 115.700 -0.132 0.000 2.419 0 S HA -0.182 4.297 4.470 0.014 0.000 0.233 0 S C 1.964 176.303 174.600 -0.434 0.000 1.016 0 S CA 0.571 58.515 58.200 -0.427 0.000 0.974 0 S CB -0.032 63.058 63.200 -0.184 0.000 0.786 0 S HN 0.277 nan 8.310 nan 0.000 0.492 1 M N 2.752 122.198 119.600 -0.257 0.000 2.065 1 M HA -0.070 4.419 4.480 0.014 0.000 0.259 1 M C 2.181 178.332 176.300 -0.248 0.000 1.071 1 M CA 1.901 57.062 55.300 -0.231 0.000 1.109 1 M CB -0.944 31.576 32.600 -0.134 0.000 1.313 1 M HN 0.202 nan 8.290 nan 0.000 0.408 2 S N 0.290 115.874 115.700 -0.194 0.000 2.382 2 S HA -0.064 4.415 4.470 0.014 0.000 0.228 2 S C 1.994 176.470 174.600 -0.206 0.000 1.027 2 S CA 1.236 59.341 58.200 -0.159 0.000 0.991 2 S CB -0.754 62.389 63.200 -0.096 0.000 0.823 2 S HN 0.688 nan 8.310 nan 0.000 0.469 3 A N 0.621 123.249 122.820 -0.321 0.000 1.930 3 A HA 0.124 4.453 4.320 0.014 0.000 0.217 3 A C 1.921 179.268 177.584 -0.395 0.000 1.175 3 A CA 1.027 52.839 52.037 -0.376 0.000 0.627 3 A CB -0.312 18.198 19.000 -0.817 0.000 0.815 3 A HN 0.475 nan 8.150 nan 0.000 0.443 4 L N -1.522 119.366 121.223 -0.558 0.000 2.638 4 L HA 0.112 4.460 4.340 0.014 0.000 0.232 4 L C 2.206 178.642 176.870 -0.724 0.000 1.099 4 L CA 0.480 54.877 54.840 -0.739 0.000 0.883 4 L CB -0.043 41.360 42.059 -1.094 0.000 1.136 4 L HN 0.424 nan 8.230 nan 0.000 0.492 5 K N 1.501 121.621 120.400 -0.466 0.000 2.009 5 K HA -0.218 4.111 4.320 0.014 0.000 0.210 5 K C 2.061 178.572 176.600 -0.148 0.000 1.049 5 K CA 1.835 57.954 56.287 -0.280 0.000 0.929 5 K CB -0.067 32.321 32.500 -0.187 0.000 0.714 5 K HN 0.240 nan 8.250 nan 0.000 0.440 6 A N 0.659 123.399 122.820 -0.133 0.000 1.898 6 A HA -0.066 4.263 4.320 0.014 0.000 0.216 6 A C 2.279 179.847 177.584 -0.027 0.000 1.181 6 A CA 1.466 53.468 52.037 -0.059 0.000 0.620 6 A CB -0.573 18.390 19.000 -0.061 0.000 0.819 6 A HN 0.198 nan 8.150 nan 0.000 0.442 7 V N -0.812 119.034 119.914 -0.114 0.000 2.261 7 V HA -0.275 3.854 4.120 0.014 0.000 0.246 7 V C 2.335 178.517 176.094 0.147 0.000 1.047 7 V CA 2.103 64.348 62.300 -0.092 0.000 1.015 7 V CB -0.982 30.607 31.823 -0.392 0.000 0.642 7 V HN 0.649 nan 8.190 nan 0.000 0.446 8 F N -0.117 119.753 119.950 -0.134 0.000 2.095 8 F HA -0.293 4.243 4.527 0.014 0.000 0.298 8 F C 2.773 178.518 175.800 -0.091 0.000 1.104 8 F CA 1.613 59.539 58.000 -0.123 0.000 1.232 8 F CB -0.241 38.680 39.000 -0.131 0.000 0.987 8 F HN 0.196 nan 8.300 nan 0.000 0.475 9 Q N -0.642 119.246 119.800 0.147 0.000 2.050 9 Q HA -0.272 4.076 4.340 0.014 0.000 0.202 9 Q C 2.000 178.038 176.000 0.062 0.000 0.980 9 Q CA 2.010 57.853 55.803 0.067 0.000 0.840 9 Q CB -0.530 28.237 28.738 0.049 0.000 0.898 9 Q HN 0.514 nan 8.270 nan 0.000 0.424 10 Y N 1.054 121.347 120.300 -0.012 0.000 2.207 10 Y HA -0.253 4.305 4.550 0.014 0.000 0.287 10 Y C 1.890 177.780 175.900 -0.018 0.000 1.156 10 Y CA 1.420 59.519 58.100 -0.002 0.000 1.182 10 Y CB -0.063 38.403 38.460 0.011 0.000 0.979 10 Y HN 0.038 nan 8.280 nan 0.000 0.521 11 I N -0.119 120.489 120.570 0.063 0.000 2.179 11 I HA -0.325 3.853 4.170 0.014 0.000 0.242 11 I C 2.107 178.008 176.117 -0.359 0.000 1.088 11 I CA 1.633 62.810 61.300 -0.205 0.000 1.357 11 I CB -0.476 37.379 38.000 -0.241 0.000 1.051 11 I HN 0.173 nan 8.210 nan 0.000 0.409 12 D N 0.840 121.102 120.400 -0.231 0.000 2.133 12 D HA -0.222 4.426 4.640 0.014 0.000 0.192 12 D C 2.132 178.315 176.300 -0.195 0.000 1.001 12 D CA 1.455 55.332 54.000 -0.204 0.000 0.844 12 D CB -0.123 40.602 40.800 -0.124 0.000 0.944 12 D HN 0.410 nan 8.370 nan 0.000 0.447 13 E N -0.389 119.694 120.200 -0.195 0.000 2.208 13 E HA -0.022 4.337 4.350 0.014 0.000 0.193 13 E C 1.240 177.721 176.600 -0.198 0.000 0.988 13 E CA 0.453 56.741 56.400 -0.187 0.000 0.828 13 E CB 0.100 29.675 29.700 -0.208 0.000 0.763 13 E HN 0.266 nan 8.360 nan 0.000 0.478 14 N N 0.910 119.468 118.700 -0.237 0.000 2.205 14 N HA -0.038 4.710 4.740 0.014 0.000 0.201 14 N C 1.479 177.079 175.510 0.150 0.000 1.128 14 N CA 0.045 53.078 53.050 -0.028 0.000 0.867 14 N CB 0.504 39.025 38.487 0.057 0.000 0.996 14 N HN 0.320 nan 8.380 nan 0.000 0.503 15 Q N 0.850 120.530 119.800 -0.200 0.000 2.133 15 Q HA -0.194 4.154 4.340 0.014 0.000 0.208 15 Q C 0.414 176.449 176.000 0.059 0.000 0.991 15 Q CA 1.590 57.251 55.803 -0.237 0.000 0.867 15 Q CB -0.266 28.312 28.738 -0.266 0.000 0.911 15 Q HN 0.022 nan 8.270 nan 0.000 0.417 16 D N 0.555 120.986 120.400 0.051 0.000 2.178 16 D HA -0.121 4.528 4.640 0.014 0.000 0.202 16 D C 1.900 178.264 176.300 0.107 0.000 0.974 16 D CA 1.125 55.166 54.000 0.068 0.000 0.841 16 D CB -0.202 40.615 40.800 0.028 0.000 0.953 16 D HN 0.359 nan 8.370 nan 0.000 0.478 17 R N -0.531 120.051 120.500 0.136 0.000 2.090 17 R HA -0.110 4.239 4.340 0.014 0.000 0.228 17 R C 2.054 178.414 176.300 0.100 0.000 1.110 17 R CA 0.888 57.042 56.100 0.090 0.000 0.973 17 R CB -0.213 30.106 30.300 0.033 0.000 0.869 17 R HN 0.252 nan 8.270 nan 0.000 0.440 18 Y N -0.347 119.956 120.300 0.005 0.000 2.181 18 Y HA -0.208 4.351 4.550 0.014 0.000 0.288 18 Y C 2.331 178.355 175.900 0.206 0.000 1.146 18 Y CA 0.967 59.101 58.100 0.056 0.000 1.164 18 Y CB -0.113 38.304 38.460 -0.071 0.000 0.982 18 Y HN -0.114 nan 8.280 nan 0.000 0.515 19 V N 0.204 120.332 119.914 0.356 0.000 2.490 19 V HA -0.280 3.849 4.120 0.014 0.000 0.250 19 V C 1.992 178.127 176.094 0.069 0.000 1.061 19 V CA 1.807 64.220 62.300 0.188 0.000 1.064 19 V CB -0.461 31.441 31.823 0.133 0.000 0.670 19 V HN 0.366 nan 8.190 nan 0.000 0.461 20 K N -0.045 120.399 120.400 0.073 0.000 2.155 20 K HA -0.134 4.195 4.320 0.014 0.000 0.203 20 K C 2.282 178.902 176.600 0.033 0.000 1.052 20 K CA 0.961 57.275 56.287 0.045 0.000 0.948 20 K CB -0.137 32.389 32.500 0.043 0.000 0.728 20 K HN 0.340 nan 8.250 nan 0.000 0.448 21 K N 1.122 121.527 120.400 0.008 0.000 2.057 21 K HA -0.165 4.163 4.320 0.014 0.000 0.207 21 K C 2.108 178.622 176.600 -0.144 0.000 1.049 21 K CA 1.041 57.298 56.287 -0.050 0.000 0.931 21 K CB -0.063 32.352 32.500 -0.142 0.000 0.714 21 K HN 0.011 nan 8.250 nan 0.000 0.440 22 L N 1.327 122.444 121.223 -0.177 0.000 2.046 22 L HA -0.076 4.273 4.340 0.014 0.000 0.208 22 L C 2.290 179.135 176.870 -0.042 0.000 1.077 22 L CA 2.045 56.744 54.840 -0.235 0.000 0.747 22 L CB -0.832 40.960 42.059 -0.446 0.000 0.896 22 L HN 0.243 nan 8.230 nan 0.000 0.432 23 A N -0.709 122.103 122.820 -0.015 0.000 1.917 23 A HA -0.284 4.044 4.320 0.014 0.000 0.219 23 A C 2.171 179.817 177.584 0.104 0.000 1.182 23 A CA 2.072 54.135 52.037 0.042 0.000 0.633 23 A CB -0.708 18.315 19.000 0.038 0.000 0.819 23 A HN 0.610 nan 8.150 nan 0.000 0.448 24 E N -1.438 118.843 120.200 0.134 0.000 2.058 24 E HA -0.240 4.119 4.350 0.014 0.000 0.194 24 E C 1.814 178.582 176.600 0.281 0.000 0.997 24 E CA 1.510 58.025 56.400 0.193 0.000 0.801 24 E CB -0.255 29.575 29.700 0.217 0.000 0.746 24 E HN 0.836 nan 8.360 nan 0.000 0.450 25 W N 0.318 121.629 121.300 0.019 0.000 2.355 25 W HA -0.136 4.533 4.660 0.015 0.000 0.309 25 W C 2.243 178.783 176.519 0.034 0.000 1.206 25 W CA 0.489 57.845 57.345 0.019 0.000 1.284 25 W CB -1.063 28.407 29.460 0.016 0.000 1.145 25 W HN -0.071 nan 8.180 nan 0.000 0.502 26 V N 0.623 120.705 119.914 0.281 0.000 2.594 26 V HA -0.257 3.871 4.120 0.014 0.000 0.253 26 V C 2.293 178.532 176.094 0.242 0.000 1.069 26 V CA 1.862 64.292 62.300 0.216 0.000 1.082 26 V CB -1.419 30.483 31.823 0.131 0.000 0.680 26 V HN 0.193 nan 8.190 nan 0.000 0.469 27 A N -0.413 122.515 122.820 0.180 0.000 2.014 27 A HA 0.099 4.428 4.320 0.014 0.000 0.218 27 A C 1.203 178.820 177.584 0.056 0.000 1.163 27 A CA 0.408 52.528 52.037 0.138 0.000 0.652 27 A CB -0.363 18.695 19.000 0.097 0.000 0.808 27 A HN 0.509 nan 8.150 nan 0.000 0.449 28 I N 1.455 122.049 120.570 0.040 0.000 2.494 28 I HA -0.029 4.150 4.170 0.014 0.000 0.289 28 I C 0.012 176.077 176.117 -0.088 0.000 1.106 28 I CA 0.069 61.343 61.300 -0.043 0.000 1.369 28 I CB 0.534 38.497 38.000 -0.063 0.000 1.410 28 I HN 0.344 nan 8.210 nan 0.000 0.523 29 Q N 5.065 124.719 119.800 -0.242 0.000 3.159 29 Q HA 0.050 4.398 4.340 0.014 0.000 0.280 29 Q C 0.424 176.282 176.000 -0.238 0.000 1.403 29 Q CA -0.205 55.306 55.803 -0.485 0.000 0.957 29 Q CB -0.143 28.133 28.738 -0.771 0.000 1.729 29 Q HN 0.697 nan 8.270 nan 0.000 0.551 30 S N -0.798 114.834 115.700 -0.114 0.000 3.864 30 S HA 0.149 4.628 4.470 0.014 0.000 0.202 30 S C 0.317 174.871 174.600 -0.076 0.000 1.402 30 S CA -0.570 57.585 58.200 -0.075 0.000 1.072 30 S CB -0.254 62.914 63.200 -0.054 0.000 1.383 30 S HN 0.181 nan 8.310 nan 0.000 0.458 31 V N 3.427 123.258 119.914 -0.138 0.000 2.372 31 V HA 0.126 4.255 4.120 0.014 0.000 0.261 31 V C 1.534 177.528 176.094 -0.167 0.000 1.055 31 V CA 0.025 62.172 62.300 -0.254 0.000 0.930 31 V CB 0.235 31.678 31.823 -0.632 0.000 1.031 31 V HN 0.865 nan 8.190 nan 0.000 0.479 32 S N 4.071 119.693 115.700 -0.130 0.000 2.453 32 S HA -0.078 4.401 4.470 0.014 0.000 0.231 32 S C 1.863 176.431 174.600 -0.054 0.000 1.005 32 S CA 0.772 58.931 58.200 -0.067 0.000 0.949 32 S CB -0.094 63.077 63.200 -0.049 0.000 0.774 32 S HN 0.841 nan 8.310 nan 0.000 0.510 33 A N 0.327 123.069 122.820 -0.131 0.000 2.119 33 A HA 0.132 4.460 4.320 0.014 0.000 0.217 33 A C 0.351 178.025 177.584 0.149 0.000 1.153 33 A CA 0.215 52.218 52.037 -0.057 0.000 0.692 33 A CB -0.385 18.526 19.000 -0.148 0.000 0.799 33 A HN 0.662 nan 8.150 nan 0.000 0.458 34 W N -0.454 120.842 121.300 -0.006 0.000 2.278 34 W HA 0.462 5.130 4.660 0.014 0.000 0.317 34 W C -2.378 174.127 176.519 -0.024 0.000 1.030 34 W CA -2.906 54.431 57.345 -0.014 0.000 1.334 34 W CB 0.400 29.848 29.460 -0.022 0.000 1.215 34 W HN 0.106 nan 8.180 nan 0.000 0.405 35 P HA -0.265 nan 4.420 nan 0.000 0.216 35 P C 1.561 178.902 177.300 0.068 0.000 1.154 35 P CA 2.210 65.362 63.100 0.088 0.000 0.865 35 P CB 0.251 31.983 31.700 0.052 0.000 0.789 36 E N -0.311 119.927 120.200 0.063 0.000 2.515 36 E HA -0.164 4.195 4.350 0.014 0.000 0.201 36 E C 0.841 177.466 176.600 0.042 0.000 1.071 36 E CA 1.056 57.471 56.400 0.024 0.000 0.880 36 E CB -0.467 29.216 29.700 -0.028 0.000 0.828 36 E HN 0.200 nan 8.360 nan 0.000 0.540 37 K N 0.596 121.054 120.400 0.097 0.000 2.374 37 K HA 0.152 4.481 4.320 0.014 0.000 0.202 37 K C 1.559 178.172 176.600 0.021 0.000 1.040 37 K CA -0.192 56.138 56.287 0.071 0.000 1.085 37 K CB 0.428 33.018 32.500 0.149 0.000 0.873 37 K HN -0.043 nan 8.250 nan 0.000 0.539 38 R N 1.282 121.795 120.500 0.021 0.000 2.105 38 R HA -0.067 4.281 4.340 0.014 0.000 0.239 38 R C 1.961 178.250 176.300 -0.019 0.000 1.135 38 R CA 1.887 57.987 56.100 0.001 0.000 0.967 38 R CB -0.983 29.319 30.300 0.004 0.000 0.861 38 R HN 0.293 nan 8.270 nan 0.000 0.442 39 G N -0.065 108.721 108.800 -0.022 0.000 2.448 39 G HA2 -0.169 3.800 3.960 0.014 0.000 0.218 39 G HA3 -0.169 3.800 3.960 0.014 0.000 0.218 39 G C 1.107 175.979 174.900 -0.047 0.000 1.135 39 G CA 0.252 45.332 45.100 -0.033 0.000 0.784 39 G HN 0.281 nan 8.290 nan 0.000 0.543 40 E N 0.438 120.609 120.200 -0.049 0.000 2.204 40 E HA -0.043 4.316 4.350 0.014 0.000 0.194 40 E C 2.509 179.061 176.600 -0.079 0.000 0.989 40 E CA 0.403 56.762 56.400 -0.069 0.000 0.824 40 E CB -0.045 29.608 29.700 -0.080 0.000 0.756 40 E HN 0.544 nan 8.360 nan 0.000 0.477 41 I N 0.288 120.819 120.570 -0.065 0.000 2.233 41 I HA -0.200 3.979 4.170 0.014 0.000 0.243 41 I C 2.754 178.821 176.117 -0.082 0.000 1.093 41 I CA 0.700 61.958 61.300 -0.070 0.000 1.380 41 I CB -0.302 37.669 38.000 -0.047 0.000 1.067 41 I HN -0.007 nan 8.210 nan 0.000 0.413 42 R N 1.165 121.625 120.500 -0.067 0.000 2.113 42 R HA -0.239 4.109 4.340 0.014 0.000 0.244 42 R C 2.539 178.786 176.300 -0.088 0.000 1.142 42 R CA 1.815 57.874 56.100 -0.069 0.000 0.953 42 R CB -0.260 30.008 30.300 -0.053 0.000 0.860 42 R HN 0.207 nan 8.270 nan 0.000 0.438 43 R N -0.290 120.156 120.500 -0.090 0.000 2.096 43 R HA -0.168 4.181 4.340 0.014 0.000 0.235 43 R C 2.206 178.414 176.300 -0.154 0.000 1.127 43 R CA 1.797 57.835 56.100 -0.104 0.000 0.968 43 R CB -0.177 30.070 30.300 -0.088 0.000 0.861 43 R HN 0.200 nan 8.270 nan 0.000 0.440 44 M N 0.166 119.660 119.600 -0.177 0.000 2.132 44 M HA -0.132 4.357 4.480 0.014 0.000 0.263 44 M C 1.869 177.984 176.300 -0.309 0.000 1.065 44 M CA 1.600 56.734 55.300 -0.277 0.000 1.122 44 M CB -0.060 32.397 32.600 -0.239 0.000 1.365 44 M HN 0.090 nan 8.290 nan 0.000 0.411 45 M N -0.415 119.060 119.600 -0.208 0.000 2.106 45 M HA -0.226 4.263 4.480 0.014 0.000 0.259 45 M C 1.977 178.168 176.300 -0.182 0.000 1.068 45 M CA 1.871 57.062 55.300 -0.181 0.000 1.100 45 M CB -1.789 30.739 32.600 -0.119 0.000 1.351 45 M HN 0.377 nan 8.290 nan 0.000 0.404 46 E N 0.059 120.164 120.200 -0.158 0.000 2.077 46 E HA -0.121 4.237 4.350 0.014 0.000 0.193 46 E C 2.223 178.734 176.600 -0.148 0.000 0.989 46 E CA 1.150 57.473 56.400 -0.130 0.000 0.800 46 E CB -0.097 29.544 29.700 -0.099 0.000 0.746 46 E HN 0.253 nan 8.360 nan 0.000 0.452 47 V N 1.399 121.189 119.914 -0.206 0.000 2.287 47 V HA -0.314 3.815 4.120 0.014 0.000 0.248 47 V C 2.321 178.286 176.094 -0.216 0.000 1.053 47 V CA 1.988 64.155 62.300 -0.222 0.000 1.027 47 V CB -0.742 30.866 31.823 -0.358 0.000 0.646 47 V HN 0.346 nan 8.190 nan 0.000 0.447 48 A N -0.275 122.338 122.820 -0.344 0.000 1.930 48 A HA -0.065 4.264 4.320 0.014 0.000 0.217 48 A C 2.411 179.898 177.584 -0.162 0.000 1.175 48 A CA 1.962 53.852 52.037 -0.245 0.000 0.627 48 A CB -0.699 18.108 19.000 -0.321 0.000 0.815 48 A HN 0.573 nan 8.150 nan 0.000 0.443 49 A N 0.082 122.807 122.820 -0.158 0.000 1.877 49 A HA 0.142 4.471 4.320 0.014 0.000 0.216 49 A C 2.539 180.068 177.584 -0.091 0.000 1.186 49 A CA 2.164 54.124 52.037 -0.128 0.000 0.620 49 A CB -1.195 17.742 19.000 -0.105 0.000 0.822 49 A HN 1.145 nan 8.150 nan 0.000 0.443 50 A N 0.177 122.956 122.820 -0.067 0.000 1.915 50 A HA -0.317 4.011 4.320 0.014 0.000 0.220 50 A C 1.798 179.374 177.584 -0.013 0.000 1.198 50 A CA 2.337 54.355 52.037 -0.032 0.000 0.647 50 A CB -0.864 18.126 19.000 -0.017 0.000 0.825 50 A HN 0.488 nan 8.150 nan 0.000 0.456 51 D N -0.586 119.816 120.400 0.002 0.000 2.104 51 D HA -0.110 4.539 4.640 0.014 0.000 0.194 51 D C 2.075 178.359 176.300 -0.026 0.000 0.994 51 D CA 1.532 55.551 54.000 0.031 0.000 0.830 51 D CB -0.454 40.411 40.800 0.107 0.000 0.959 51 D HN 0.233 nan 8.370 nan 0.000 0.452 52 V N 0.532 120.375 119.914 -0.118 0.000 2.358 52 V HA -0.247 3.881 4.120 0.014 0.000 0.246 52 V C 2.463 178.532 176.094 -0.040 0.000 1.047 52 V CA 1.594 63.799 62.300 -0.157 0.000 1.035 52 V CB -0.506 31.138 31.823 -0.299 0.000 0.658 52 V HN 0.174 nan 8.190 nan 0.000 0.452 53 Q N -0.383 119.397 119.800 -0.034 0.000 2.050 53 Q HA -0.221 4.128 4.340 0.014 0.000 0.202 53 Q C 2.492 178.497 176.000 0.008 0.000 0.980 53 Q CA 1.824 57.623 55.803 -0.007 0.000 0.840 53 Q CB -0.292 28.438 28.738 -0.013 0.000 0.898 53 Q HN 0.460 nan 8.270 nan 0.000 0.424 54 R N 0.356 120.862 120.500 0.010 0.000 2.159 54 R HA -0.127 4.221 4.340 0.014 0.000 0.237 54 R C 1.669 177.988 176.300 0.032 0.000 1.131 54 R CA 0.946 57.059 56.100 0.022 0.000 0.982 54 R CB -0.115 30.201 30.300 0.026 0.000 0.868 54 R HN 0.255 nan 8.270 nan 0.000 0.453 55 L N -0.771 120.476 121.223 0.041 0.000 2.610 55 L HA 0.120 4.469 4.340 0.014 0.000 0.232 55 L C 1.150 178.054 176.870 0.057 0.000 1.149 55 L CA 0.594 55.471 54.840 0.062 0.000 0.872 55 L CB 0.291 42.408 42.059 0.096 0.000 0.992 55 L HN 0.522 nan 8.230 nan 0.000 0.447 56 G N -0.381 108.444 108.800 0.042 0.000 2.132 56 G HA2 -0.201 3.767 3.960 0.014 0.000 0.234 56 G HA3 -0.201 3.767 3.960 0.014 0.000 0.234 56 G C 0.446 175.371 174.900 0.042 0.000 0.989 56 G CA -0.159 44.963 45.100 0.036 0.000 0.676 56 G HN 0.512 nan 8.290 nan 0.000 0.522 57 G N -0.459 108.373 108.800 0.053 0.000 2.535 57 G HA2 0.792 4.760 3.960 0.014 0.000 0.303 57 G HA3 0.792 4.760 3.960 0.014 0.000 0.303 57 G C 0.232 175.161 174.900 0.048 0.000 1.237 57 G CA 0.516 45.657 45.100 0.069 0.000 0.986 57 G HN 1.526 nan 8.290 nan 0.000 0.494 58 S N -1.977 113.761 115.700 0.063 0.000 2.503 58 S HA 0.671 5.150 4.470 0.014 0.000 0.301 58 S C -0.729 173.908 174.600 0.063 0.000 1.087 58 S CA -0.789 57.440 58.200 0.049 0.000 1.042 58 S CB 1.763 64.991 63.200 0.046 0.000 1.043 58 S HN 1.471 nan 8.310 nan 0.000 0.489 59 V N 0.800 120.728 119.914 0.023 0.000 2.638 59 V HA 0.603 4.731 4.120 0.014 0.000 0.306 59 V C -0.941 175.141 176.094 -0.020 0.000 1.052 59 V CA -0.549 61.752 62.300 0.003 0.000 0.885 59 V CB 1.645 33.442 31.823 -0.043 0.000 0.999 59 V HN 1.072 nan 8.190 nan 0.000 0.424 60 E N 5.343 125.516 120.200 -0.044 0.000 2.113 60 E HA 0.403 4.761 4.350 0.014 0.000 0.273 60 E C -0.931 175.612 176.600 -0.095 0.000 0.924 60 E CA -0.663 55.697 56.400 -0.067 0.000 0.764 60 E CB 1.539 31.194 29.700 -0.075 0.000 1.104 60 E HN 0.822 nan 8.360 nan 0.000 0.406 61 L N 5.586 126.766 121.223 -0.073 0.000 2.404 61 L HA 0.163 4.512 4.340 0.014 0.000 0.277 61 L C 0.304 177.136 176.870 -0.064 0.000 1.184 61 L CA -0.368 54.429 54.840 -0.072 0.000 1.013 61 L CB 0.603 42.625 42.059 -0.062 0.000 1.318 61 L HN 0.282 nan 8.230 nan 0.000 0.435 62 V N 3.552 123.422 119.914 -0.075 0.000 2.555 62 V HA 0.061 4.190 4.120 0.014 0.000 0.286 62 V C 0.367 176.437 176.094 -0.040 0.000 1.044 62 V CA -0.263 62.001 62.300 -0.060 0.000 1.026 62 V CB 1.359 33.137 31.823 -0.074 0.000 0.981 62 V HN 0.581 nan 8.190 nan 0.000 0.480 63 D N 5.249 125.630 120.400 -0.031 0.000 2.348 63 D HA 0.145 4.794 4.640 0.014 0.000 0.253 63 D C 0.820 177.110 176.300 -0.016 0.000 1.161 63 D CA 0.009 53.996 54.000 -0.023 0.000 0.876 63 D CB 1.126 41.914 40.800 -0.020 0.000 1.160 63 D HN 0.698 nan 8.370 nan 0.000 0.459 64 I N 0.855 121.417 120.570 -0.013 0.000 4.082 64 I HA 0.432 4.611 4.170 0.014 0.000 0.337 64 I C 1.021 177.134 176.117 -0.006 0.000 1.352 64 I CA -0.350 60.945 61.300 -0.007 0.000 1.097 64 I CB 0.428 38.426 38.000 -0.004 0.000 1.048 64 I HN 0.538 nan 8.210 nan 0.000 0.393 65 G N 1.892 110.687 108.800 -0.009 0.000 2.501 65 G HA2 -0.114 3.854 3.960 0.014 0.000 0.213 65 G HA3 -0.114 3.854 3.960 0.014 0.000 0.213 65 G C -0.854 174.040 174.900 -0.010 0.000 1.158 65 G CA -0.556 44.538 45.100 -0.009 0.000 1.079 65 G HN 0.281 nan 8.290 nan 0.000 0.586 66 K N 0.277 120.671 120.400 -0.010 0.000 2.318 66 K HA 0.584 4.913 4.320 0.014 0.000 0.249 66 K C -0.446 176.148 176.600 -0.010 0.000 0.942 66 K CA -0.556 55.724 56.287 -0.010 0.000 0.808 66 K CB 2.128 34.620 32.500 -0.012 0.000 1.189 66 K HN 0.571 nan 8.250 nan 0.000 0.428 67 Q N 2.547 122.341 119.800 -0.009 0.000 2.278 67 Q HA 0.157 4.506 4.340 0.014 0.000 0.257 67 Q C -1.079 174.913 176.000 -0.014 0.000 0.928 67 Q CA -0.714 55.083 55.803 -0.010 0.000 0.932 67 Q CB 1.149 29.884 28.738 -0.004 0.000 1.221 67 Q HN 0.213 nan 8.270 nan 0.000 0.434 68 K N 4.579 124.967 120.400 -0.021 0.000 2.316 68 K HA 0.240 4.568 4.320 0.014 0.000 0.289 68 K C -0.882 175.698 176.600 -0.032 0.000 1.070 68 K CA -0.034 56.235 56.287 -0.029 0.000 0.928 68 K CB 0.085 32.562 32.500 -0.038 0.000 1.039 68 K HN 0.568 nan 8.250 nan 0.000 0.480 69 L N 6.801 128.008 121.223 -0.028 0.000 2.456 69 L HA 0.262 4.611 4.340 0.014 0.000 0.257 69 L C -1.243 175.602 176.870 -0.042 0.000 1.162 69 L CA -2.010 52.814 54.840 -0.026 0.000 0.808 69 L CB 0.531 42.583 42.059 -0.012 0.000 1.136 69 L HN 0.617 nan 8.230 nan 0.000 0.466 70 P HA -0.140 nan 4.420 nan 0.000 0.214 70 P C -0.162 177.106 177.300 -0.053 0.000 1.163 70 P CA 1.237 64.300 63.100 -0.063 0.000 0.889 70 P CB 0.134 31.807 31.700 -0.044 0.000 0.790 71 D N -0.392 119.989 120.400 -0.032 0.000 2.741 71 D HA 0.413 5.062 4.640 0.014 0.000 0.233 71 D C 0.769 177.052 176.300 -0.029 0.000 1.160 71 D CA 0.363 54.346 54.000 -0.028 0.000 1.003 71 D CB -0.819 39.972 40.800 -0.015 0.000 1.064 71 D HN 0.093 nan 8.370 nan 0.000 0.503 72 G N 1.771 110.548 108.800 -0.039 0.000 2.791 72 G HA2 0.001 3.970 3.960 0.014 0.000 0.256 72 G HA3 0.001 3.970 3.960 0.014 0.000 0.256 72 G C 0.191 175.074 174.900 -0.029 0.000 1.380 72 G CA -0.034 45.044 45.100 -0.036 0.000 0.904 72 G HN 1.465 nan 8.290 nan 0.000 0.563 73 S N -1.939 113.745 115.700 -0.026 0.000 3.976 73 S HA 0.021 4.500 4.470 0.014 0.000 0.652 73 S C -0.554 174.034 174.600 -0.020 0.000 1.522 73 S CA 1.642 59.830 58.200 -0.021 0.000 1.667 73 S CB -0.939 62.251 63.200 -0.017 0.000 0.332 73 S HN 2.133 nan 8.310 nan 0.000 1.594 74 E N 0.055 120.246 120.200 -0.016 0.000 2.331 74 E HA 0.731 5.090 4.350 0.014 0.000 0.275 74 E C -0.461 176.133 176.600 -0.011 0.000 0.895 74 E CA -0.356 56.035 56.400 -0.014 0.000 0.753 74 E CB 1.798 31.488 29.700 -0.015 0.000 1.216 74 E HN 0.828 nan 8.360 nan 0.000 0.434 75 I N -1.514 119.051 120.570 -0.008 0.000 2.846 75 I HA 0.651 4.830 4.170 0.014 0.000 0.307 75 I C -2.571 173.541 176.117 -0.008 0.000 1.053 75 I CA -2.980 58.317 61.300 -0.006 0.000 1.050 75 I CB 1.929 39.928 38.000 -0.001 0.000 1.239 75 I HN 0.218 nan 8.210 nan 0.000 0.439 76 P HA 0.163 nan 4.420 nan 0.000 0.267 76 P C -0.420 176.874 177.300 -0.010 0.000 1.205 76 P CA 0.063 63.157 63.100 -0.011 0.000 0.765 76 P CB 0.819 32.511 31.700 -0.014 0.000 0.828 77 L N 5.820 127.037 121.223 -0.010 0.000 2.482 77 L HA 0.150 4.499 4.340 0.014 0.000 0.273 77 L C -1.636 175.226 176.870 -0.013 0.000 1.228 77 L CA -1.512 53.323 54.840 -0.009 0.000 0.827 77 L CB -0.430 41.625 42.059 -0.007 0.000 1.099 77 L HN 0.286 nan 8.230 nan 0.000 0.494 78 P HA 0.212 nan 4.420 nan 0.000 0.274 78 P C -2.545 174.742 177.300 -0.021 0.000 1.237 78 P CA -1.350 61.737 63.100 -0.021 0.000 0.793 78 P CB -0.070 31.617 31.700 -0.022 0.000 0.977 79 P HA 0.239 nan 4.420 nan 0.000 0.274 79 P C -0.451 176.833 177.300 -0.027 0.000 1.256 79 P CA -0.011 63.071 63.100 -0.031 0.000 0.795 79 P CB 0.693 32.367 31.700 -0.043 0.000 1.038 80 I N 1.159 121.712 120.570 -0.027 0.000 2.336 80 I HA 0.237 4.416 4.170 0.014 0.000 0.292 80 I C 0.708 176.792 176.117 -0.054 0.000 0.991 80 I CA -0.906 60.384 61.300 -0.017 0.000 1.227 80 I CB 1.102 39.106 38.000 0.006 0.000 1.366 80 I HN 0.198 nan 8.210 nan 0.000 0.466 81 L N 7.923 129.119 121.223 -0.045 0.000 2.315 81 L HA 0.361 4.709 4.340 0.014 0.000 0.283 81 L C -0.927 175.886 176.870 -0.094 0.000 1.089 81 L CA -0.148 54.649 54.840 -0.071 0.000 0.833 81 L CB 0.141 42.161 42.059 -0.064 0.000 1.170 81 L HN 0.528 nan 8.230 nan 0.000 0.442 82 L N 6.032 127.122 121.223 -0.220 0.000 2.298 82 L HA 0.602 4.950 4.340 0.014 0.000 0.284 82 L C 0.296 177.066 176.870 -0.166 0.000 1.013 82 L CA -0.470 54.066 54.840 -0.508 0.000 0.824 82 L CB 1.464 42.848 42.059 -1.125 0.000 1.221 82 L HN 0.694 nan 8.230 nan 0.000 0.418 83 G N 3.184 112.126 108.800 0.237 0.000 2.566 83 G HA2 0.595 4.563 3.960 0.014 0.000 0.311 83 G HA3 0.595 4.563 3.960 0.014 0.000 0.311 83 G C -1.092 174.150 174.900 0.571 0.000 1.322 83 G CA -0.545 44.777 45.100 0.370 0.000 0.969 83 G HN 0.426 nan 8.290 nan 0.000 0.490 84 K N 1.243 121.854 120.400 0.352 0.000 2.244 84 K HA 0.530 4.858 4.320 0.014 0.000 0.260 84 K C -1.562 175.141 176.600 0.171 0.000 0.951 84 K CA -0.933 55.460 56.287 0.176 0.000 0.826 84 K CB 2.775 35.309 32.500 0.057 0.000 1.108 84 K HN 0.263 nan 8.250 nan 0.000 0.433 85 L N 1.760 123.058 121.223 0.126 0.000 2.427 85 L HA 0.463 4.812 4.340 0.014 0.000 0.264 85 L C -0.478 176.402 176.870 0.016 0.000 0.989 85 L CA 0.633 55.540 54.840 0.112 0.000 0.865 85 L CB 1.303 43.502 42.059 0.234 0.000 1.209 85 L HN 0.888 nan 8.230 nan 0.000 0.430 86 G N 3.057 111.858 108.800 0.002 0.000 2.777 86 G HA2 -0.036 3.933 3.960 0.014 0.000 0.686 86 G HA3 -0.036 3.933 3.960 0.014 0.000 0.686 86 G C -0.279 174.589 174.900 -0.053 0.000 1.177 86 G CA -0.261 44.823 45.100 -0.027 0.000 0.775 86 G HN 0.695 nan 8.290 nan 0.000 0.613 87 S N 0.999 116.669 115.700 -0.049 0.000 2.665 87 S HA 0.242 4.720 4.470 0.014 0.000 0.235 87 S C -0.352 174.217 174.600 -0.052 0.000 1.084 87 S CA -0.330 57.834 58.200 -0.061 0.000 1.151 87 S CB 0.719 63.885 63.200 -0.056 0.000 1.151 87 S HN 0.837 nan 8.310 nan 0.000 0.461 88 D N 3.472 123.841 120.400 -0.051 0.000 2.339 88 D HA 0.207 4.855 4.640 0.014 0.000 0.241 88 D C -1.530 174.742 176.300 -0.048 0.000 1.183 88 D CA -1.881 52.092 54.000 -0.044 0.000 0.859 88 D CB 1.475 42.250 40.800 -0.042 0.000 1.067 88 D HN 0.098 nan 8.370 nan 0.000 0.484 89 P HA -0.086 nan 4.420 nan 0.000 0.239 89 P C 0.921 178.198 177.300 -0.039 0.000 1.184 89 P CA 0.516 63.590 63.100 -0.043 0.000 0.760 89 P CB 0.543 32.221 31.700 -0.037 0.000 0.884 90 Q N 0.109 119.887 119.800 -0.037 0.000 2.245 90 Q HA 0.021 4.370 4.340 0.014 0.000 0.201 90 Q C 0.719 176.695 176.000 -0.040 0.000 0.955 90 Q CA 0.967 56.750 55.803 -0.035 0.000 0.870 90 Q CB 0.051 28.770 28.738 -0.031 0.000 0.945 90 Q HN 0.441 nan 8.270 nan 0.000 0.461 91 K N 0.798 121.170 120.400 -0.047 0.000 2.095 91 K HA 0.239 4.568 4.320 0.014 0.000 0.252 91 K C 0.074 176.646 176.600 -0.047 0.000 0.977 91 K CA -0.718 55.538 56.287 -0.053 0.000 0.900 91 K CB 1.019 33.480 32.500 -0.065 0.000 1.060 91 K HN -0.253 nan 8.250 nan 0.000 0.449 92 K N 1.127 121.508 120.400 -0.031 0.000 2.219 92 K HA 0.185 4.513 4.320 0.014 0.000 0.258 92 K C -0.205 176.379 176.600 -0.026 0.000 1.008 92 K CA 0.037 56.326 56.287 0.004 0.000 0.928 92 K CB 0.943 33.515 32.500 0.120 0.000 0.983 92 K HN 0.533 nan 8.250 nan 0.000 0.484 93 T N 0.978 115.512 114.554 -0.034 0.000 2.809 93 T HA 0.345 4.704 4.350 0.014 0.000 0.284 93 T C -0.521 174.152 174.700 -0.045 0.000 0.992 93 T CA -0.652 61.401 62.100 -0.077 0.000 0.957 93 T CB 1.244 70.038 68.868 -0.124 0.000 0.942 93 T HN 0.120 nan 8.240 nan 0.000 0.439 94 V N 2.621 122.495 119.914 -0.067 0.000 2.398 94 V HA 0.373 4.502 4.120 0.014 0.000 0.286 94 V C 0.368 176.363 176.094 -0.165 0.000 1.026 94 V CA -1.010 61.264 62.300 -0.044 0.000 0.868 94 V CB 1.474 33.307 31.823 0.017 0.000 0.982 94 V HN 1.079 nan 8.190 nan 0.000 0.443 95 C N 7.423 126.638 119.300 -0.142 0.000 2.325 95 C HA 0.609 5.078 4.460 0.014 0.000 0.347 95 C C 0.091 174.904 174.990 -0.294 0.000 1.263 95 C CA -0.536 58.374 59.018 -0.180 0.000 1.806 95 C CB -1.319 26.378 27.740 -0.071 0.000 2.405 95 C HN 0.776 nan 8.230 nan 0.000 0.537 96 I N 7.035 127.368 120.570 -0.395 0.000 2.312 96 I HA 0.269 4.448 4.170 0.014 0.000 0.290 96 I C -0.450 175.557 176.117 -0.183 0.000 1.008 96 I CA -0.354 60.642 61.300 -0.506 0.000 1.226 96 I CB 0.669 38.087 38.000 -0.970 0.000 1.371 96 I HN 0.674 nan 8.210 nan 0.000 0.468 97 Y N 6.189 126.349 120.300 -0.234 0.000 2.361 97 Y HA 0.805 5.363 4.550 0.014 0.000 0.332 97 Y C 0.127 176.074 175.900 0.078 0.000 1.101 97 Y CA -0.324 57.764 58.100 -0.020 0.000 1.137 97 Y CB 1.744 40.217 38.460 0.023 0.000 1.207 97 Y HN 0.585 nan 8.280 nan 0.000 0.463 98 G N 3.000 111.375 108.800 -0.708 0.000 2.608 98 G HA2 0.463 4.431 3.960 0.014 0.000 0.291 98 G HA3 0.463 4.431 3.960 0.014 0.000 0.291 98 G C -2.294 172.283 174.900 -0.539 0.000 1.425 98 G CA -0.966 43.818 45.100 -0.527 0.000 0.787 98 G HN 1.022 nan 8.290 nan 0.000 0.484 99 H N -1.890 117.012 119.070 -0.281 0.000 2.690 99 H HA 0.729 5.294 4.556 0.015 0.000 0.368 99 H C -0.336 174.972 175.328 -0.033 0.000 1.150 99 H CA -1.171 54.785 56.048 -0.155 0.000 1.174 99 H CB 2.055 31.765 29.762 -0.087 0.000 1.684 99 H HN 0.331 nan 8.280 nan 0.000 0.538 100 L N 0.729 121.973 121.223 0.034 0.000 2.858 100 L HA 0.161 4.509 4.340 0.014 0.000 0.251 100 L C -0.023 176.867 176.870 0.033 0.000 1.149 100 L CA -0.300 54.528 54.840 -0.020 0.000 0.955 100 L CB 0.121 42.112 42.059 -0.113 0.000 1.289 100 L HN 0.729 nan 8.230 nan 0.000 0.542 101 D N 1.225 121.702 120.400 0.129 0.000 2.312 101 D HA 0.364 5.012 4.640 0.014 0.000 0.248 101 D C 0.027 176.426 176.300 0.166 0.000 1.086 101 D CA -0.216 53.843 54.000 0.098 0.000 0.948 101 D CB 2.375 43.203 40.800 0.047 0.000 1.162 101 D HN -0.093 nan 8.370 nan 0.000 0.446 102 V N -2.645 117.309 119.914 0.065 0.000 3.126 102 V HA 0.471 4.600 4.120 0.014 0.000 0.314 102 V C -0.278 175.771 176.094 -0.075 0.000 1.138 102 V CA -1.116 61.220 62.300 0.060 0.000 1.034 102 V CB 1.767 33.653 31.823 0.104 0.000 1.075 102 V HN 0.531 nan 8.190 nan 0.000 0.442 103 Q N 1.156 120.879 119.800 -0.128 0.000 2.368 103 Q HA 0.445 4.793 4.340 0.014 0.000 0.237 103 Q C -2.453 173.392 176.000 -0.258 0.000 0.987 103 Q CA -1.555 54.095 55.803 -0.255 0.000 0.896 103 Q CB 0.979 29.483 28.738 -0.390 0.000 1.241 103 Q HN 0.627 nan 8.270 nan 0.000 0.485 104 P HA 0.170 nan 4.420 nan 0.000 0.270 104 P C -1.465 175.786 177.300 -0.081 0.000 1.223 104 P CA -0.014 62.803 63.100 -0.472 0.000 0.785 104 P CB 0.598 32.068 31.700 -0.382 0.000 0.923 105 A N 0.891 123.737 122.820 0.043 0.000 2.517 105 A HA 0.746 5.074 4.320 0.014 0.000 0.297 105 A C -1.400 176.279 177.584 0.157 0.000 1.050 105 A CA -0.472 51.583 52.037 0.030 0.000 0.694 105 A CB 1.421 20.123 19.000 -0.496 0.000 1.277 105 A HN 0.536 nan 8.150 nan 0.000 0.400 106 A N 1.170 124.063 122.820 0.121 0.000 2.435 106 A HA 0.649 4.977 4.320 0.014 0.000 0.304 106 A C 0.556 178.154 177.584 0.022 0.000 1.064 106 A CA -0.372 51.723 52.037 0.098 0.000 0.727 106 A CB 0.891 19.999 19.000 0.180 0.000 1.284 106 A HN 1.860 nan 8.150 nan 0.000 0.415 107 L N 1.176 122.386 121.223 -0.022 0.000 2.051 107 L HA -0.202 4.147 4.340 0.014 0.000 0.214 107 L C 1.902 178.878 176.870 0.176 0.000 1.076 107 L CA 2.745 57.621 54.840 0.061 0.000 0.758 107 L CB -0.457 41.624 42.059 0.037 0.000 0.890 107 L HN 0.869 nan 8.230 nan 0.000 0.433 108 E N -0.512 119.768 120.200 0.133 0.000 2.401 108 E HA -0.166 4.193 4.350 0.014 0.000 0.199 108 E C 1.509 178.199 176.600 0.151 0.000 1.023 108 E CA 0.966 57.439 56.400 0.121 0.000 0.859 108 E CB -0.424 29.326 29.700 0.085 0.000 0.780 108 E HN 0.556 nan 8.360 nan 0.000 0.523 109 D N -0.322 120.221 120.400 0.238 0.000 2.347 109 D HA 0.052 4.700 4.640 0.014 0.000 0.215 109 D C 1.026 177.423 176.300 0.162 0.000 0.976 109 D CA 1.097 55.234 54.000 0.228 0.000 0.884 109 D CB 0.359 41.357 40.800 0.331 0.000 0.915 109 D HN 0.320 nan 8.370 nan 0.000 0.526 110 G N 0.186 109.097 108.800 0.185 0.000 2.189 110 G HA2 -0.159 3.809 3.960 0.014 0.000 0.113 110 G HA3 -0.159 3.809 3.960 0.014 0.000 0.113 110 G C -0.673 174.237 174.900 0.018 0.000 1.038 110 G CA -0.887 44.250 45.100 0.062 0.000 0.704 110 G HN 0.021 nan 8.290 nan 0.000 0.490 111 W N 0.820 122.109 121.300 -0.018 0.000 2.316 111 W HA 0.603 5.272 4.660 0.014 0.000 0.321 111 W C 0.623 177.107 176.519 -0.058 0.000 1.203 111 W CA -0.304 57.018 57.345 -0.039 0.000 1.214 111 W CB 0.934 30.373 29.460 -0.035 0.000 1.169 111 W HN 0.039 nan 8.180 nan 0.000 0.561 112 D N 0.872 121.331 120.400 0.098 0.000 2.349 112 D HA 0.003 4.651 4.640 0.014 0.000 0.224 112 D C 0.200 176.516 176.300 0.027 0.000 1.029 112 D CA 0.640 54.640 54.000 -0.000 0.000 0.879 112 D CB 0.204 40.921 40.800 -0.137 0.000 0.906 112 D HN 0.225 nan 8.370 nan 0.000 0.528 113 S N -1.101 114.675 115.700 0.126 0.000 2.611 113 S HA 0.248 4.726 4.470 0.014 0.000 0.268 113 S C -0.693 173.959 174.600 0.087 0.000 1.156 113 S CA -1.061 57.190 58.200 0.086 0.000 0.817 113 S CB 2.127 65.360 63.200 0.055 0.000 1.122 113 S HN -0.255 nan 8.310 nan 0.000 0.466 114 E N 2.496 122.702 120.200 0.010 0.000 2.493 114 E HA 0.139 4.497 4.350 0.014 0.000 0.255 114 E C -1.361 175.087 176.600 -0.254 0.000 0.999 114 E CA -1.634 54.718 56.400 -0.080 0.000 0.934 114 E CB 0.471 30.160 29.700 -0.019 0.000 0.940 114 E HN 0.404 nan 8.360 nan 0.000 0.473 115 P HA -0.168 nan 4.420 nan 0.000 0.216 115 P C 0.699 177.451 177.300 -0.912 0.000 1.150 115 P CA 1.377 63.631 63.100 -1.409 0.000 0.843 115 P CB 0.047 30.554 31.700 -1.988 0.000 0.787 116 F N -0.742 119.050 119.950 -0.263 0.000 2.660 116 F HA 0.179 4.714 4.527 0.014 0.000 0.302 116 F C 0.631 176.399 175.800 -0.054 0.000 1.103 116 F CA 0.337 58.262 58.000 -0.125 0.000 1.340 116 F CB -0.436 38.511 39.000 -0.088 0.000 1.048 116 F HN -0.257 nan 8.300 nan 0.000 0.551 117 T N 1.874 116.456 114.554 0.048 0.000 2.864 117 T HA 0.329 4.688 4.350 0.014 0.000 0.310 117 T C -0.572 174.160 174.700 0.053 0.000 1.040 117 T CA -0.438 61.698 62.100 0.060 0.000 0.977 117 T CB 1.014 69.912 68.868 0.050 0.000 0.976 117 T HN -0.109 nan 8.240 nan 0.000 0.459 118 L N 6.031 127.292 121.223 0.062 0.000 2.410 118 L HA 0.539 4.888 4.340 0.014 0.000 0.273 118 L C -0.288 176.626 176.870 0.074 0.000 1.144 118 L CA 0.195 55.075 54.840 0.066 0.000 0.863 118 L CB 0.317 42.398 42.059 0.035 0.000 1.140 118 L HN 0.504 nan 8.230 nan 0.000 0.463 119 V N 1.754 121.736 119.914 0.112 0.000 2.686 119 V HA 0.546 4.674 4.120 0.014 0.000 0.306 119 V C -0.566 175.622 176.094 0.157 0.000 1.065 119 V CA -0.909 61.457 62.300 0.111 0.000 0.894 119 V CB 1.582 33.461 31.823 0.093 0.000 1.004 119 V HN 0.795 nan 8.190 nan 0.000 0.424 120 E N 3.736 124.001 120.200 0.109 0.000 2.167 120 E HA 0.544 4.903 4.350 0.014 0.000 0.284 120 E C -0.656 176.026 176.600 0.136 0.000 1.016 120 E CA -0.673 55.794 56.400 0.112 0.000 0.817 120 E CB 0.917 30.650 29.700 0.056 0.000 1.080 120 E HN 0.734 nan 8.360 nan 0.000 0.397 121 R N 4.020 124.650 120.500 0.217 0.000 2.483 121 R HA 0.162 4.511 4.340 0.014 0.000 0.303 121 R C -0.858 175.541 176.300 0.166 0.000 0.987 121 R CA -0.698 55.507 56.100 0.175 0.000 0.881 121 R CB 1.438 31.829 30.300 0.152 0.000 1.177 121 R HN 0.598 nan 8.270 nan 0.000 0.451 122 E N 1.008 121.260 120.200 0.086 0.000 2.553 122 E HA -0.200 4.159 4.350 0.014 0.000 0.264 122 E C 0.480 177.099 176.600 0.032 0.000 1.068 122 E CA 1.169 57.603 56.400 0.057 0.000 0.774 122 E CB -1.427 28.314 29.700 0.067 0.000 1.349 122 E HN 1.212 nan 8.360 nan 0.000 0.404 123 G N -0.155 108.659 108.800 0.024 0.000 2.160 123 G HA2 -0.355 3.614 3.960 0.014 0.000 0.251 123 G HA3 -0.355 3.614 3.960 0.014 0.000 0.251 123 G C 0.060 174.935 174.900 -0.041 0.000 1.008 123 G CA 1.005 46.101 45.100 -0.006 0.000 0.724 123 G HN 0.201 nan 8.290 nan 0.000 0.514 124 K N -0.234 120.139 120.400 -0.045 0.000 2.376 124 K HA 0.675 5.003 4.320 0.014 0.000 0.257 124 K C 0.230 176.706 176.600 -0.206 0.000 0.939 124 K CA -0.521 55.645 56.287 -0.203 0.000 0.809 124 K CB 1.312 33.623 32.500 -0.315 0.000 1.121 124 K HN 0.165 nan 8.250 nan 0.000 0.425 125 L N 4.809 125.883 121.223 -0.249 0.000 2.259 125 L HA 0.383 4.732 4.340 0.014 0.000 0.288 125 L C -0.754 176.006 176.870 -0.184 0.000 1.051 125 L CA -0.768 53.984 54.840 -0.147 0.000 0.824 125 L CB 0.024 41.990 42.059 -0.156 0.000 1.206 125 L HN 0.489 nan 8.230 nan 0.000 0.429 126 Y N 1.961 122.269 120.300 0.012 0.000 2.320 126 Y HA 0.706 5.265 4.550 0.014 0.000 0.334 126 Y C 0.861 176.826 175.900 0.108 0.000 1.055 126 Y CA -0.245 57.896 58.100 0.068 0.000 1.143 126 Y CB 2.049 40.559 38.460 0.085 0.000 1.193 126 Y HN 0.620 nan 8.280 nan 0.000 0.477 127 G N 2.366 111.365 108.800 0.333 0.000 2.386 127 G HA2 0.296 4.264 3.960 0.014 0.000 0.302 127 G HA3 0.296 4.264 3.960 0.014 0.000 0.302 127 G C -2.001 172.995 174.900 0.159 0.000 1.629 127 G CA -1.415 43.790 45.100 0.176 0.000 0.917 127 G HN 0.491 nan 8.290 nan 0.000 0.676 128 R N 0.506 120.938 120.500 -0.113 0.000 2.421 128 R HA 0.515 4.864 4.340 0.014 0.000 0.305 128 R C 1.486 177.780 176.300 -0.009 0.000 1.039 128 R CA 1.637 57.672 56.100 -0.108 0.000 1.003 128 R CB 0.273 30.191 30.300 -0.638 0.000 0.959 128 R HN 2.363 nan 8.270 nan 0.000 0.427 129 G N 2.327 111.173 108.800 0.077 0.000 2.195 129 G HA2 -0.368 3.600 3.960 0.014 0.000 0.246 129 G HA3 -0.368 3.600 3.960 0.014 0.000 0.246 129 G C 0.967 175.912 174.900 0.076 0.000 0.984 129 G CA 0.757 45.916 45.100 0.098 0.000 0.633 129 G HN 0.785 nan 8.290 nan 0.000 0.525 130 S N -0.810 114.917 115.700 0.046 0.000 2.359 130 S HA -0.089 4.390 4.470 0.014 0.000 0.224 130 S C 1.991 176.578 174.600 -0.023 0.000 1.035 130 S CA 2.541 60.725 58.200 -0.027 0.000 1.018 130 S CB -0.478 62.688 63.200 -0.056 0.000 0.876 130 S HN 0.801 nan 8.310 nan 0.000 0.448 131 T N 0.071 114.652 114.554 0.043 0.000 3.040 131 T HA 0.145 4.503 4.350 0.014 0.000 0.252 131 T C -0.297 174.517 174.700 0.190 0.000 1.064 131 T CA 0.505 62.674 62.100 0.115 0.000 1.110 131 T CB -0.206 68.757 68.868 0.158 0.000 0.921 131 T HN 0.379 nan 8.240 nan 0.000 0.480 132 D N 1.280 121.790 120.400 0.184 0.000 2.400 132 D HA 0.301 4.949 4.640 0.014 0.000 0.272 132 D C -0.966 175.407 176.300 0.120 0.000 1.220 132 D CA -0.335 53.801 54.000 0.227 0.000 0.897 132 D CB 0.623 41.652 40.800 0.381 0.000 1.134 132 D HN 0.079 nan 8.370 nan 0.000 0.507 133 D N 1.637 121.988 120.400 -0.083 0.000 2.785 133 D HA 0.150 4.798 4.640 0.014 0.000 0.324 133 D C 0.901 177.185 176.300 -0.026 0.000 1.523 133 D CA -0.013 53.895 54.000 -0.154 0.000 0.789 133 D CB 0.479 40.908 40.800 -0.618 0.000 1.171 133 D HN 0.143 nan 8.370 nan 0.000 0.447 134 K N -0.700 119.742 120.400 0.070 0.000 2.137 134 K HA 0.120 4.448 4.320 0.014 0.000 0.202 134 K C 2.007 178.667 176.600 0.101 0.000 1.052 134 K CA 0.858 57.276 56.287 0.218 0.000 0.961 134 K CB 0.162 32.842 32.500 0.299 0.000 0.741 134 K HN 0.160 nan 8.250 nan 0.000 0.452 135 G N 2.512 111.310 108.800 -0.005 0.000 2.459 135 G HA2 -0.197 3.771 3.960 0.014 0.000 0.217 135 G HA3 -0.197 3.771 3.960 0.014 0.000 0.217 135 G C -1.056 173.914 174.900 0.117 0.000 1.183 135 G CA 0.704 45.765 45.100 -0.065 0.000 0.776 135 G HN 0.208 nan 8.290 nan 0.000 0.552 136 P HA -0.048 nan 4.420 nan 0.000 0.215 136 P C 2.155 179.532 177.300 0.127 0.000 1.157 136 P CA 0.958 64.085 63.100 0.046 0.000 0.868 136 P CB -0.157 31.557 31.700 0.024 0.000 0.788 137 V N 0.053 120.115 119.914 0.246 0.000 2.407 137 V HA -0.241 3.888 4.120 0.014 0.000 0.248 137 V C 2.465 178.763 176.094 0.339 0.000 1.055 137 V CA 2.160 64.723 62.300 0.439 0.000 1.049 137 V CB -1.780 30.302 31.823 0.433 0.000 0.662 137 V HN 0.101 nan 8.190 nan 0.000 0.455 138 A N 0.636 123.450 122.820 -0.010 0.000 1.933 138 A HA -0.075 4.253 4.320 0.014 0.000 0.218 138 A C 2.436 180.011 177.584 -0.015 0.000 1.175 138 A CA 1.845 53.652 52.037 -0.383 0.000 0.628 138 A CB -1.188 17.362 19.000 -0.750 0.000 0.814 138 A HN 0.519 nan 8.150 nan 0.000 0.444 139 G N -1.395 107.450 108.800 0.075 0.000 2.440 139 G HA2 -0.271 3.698 3.960 0.014 0.000 0.218 139 G HA3 -0.271 3.698 3.960 0.014 0.000 0.218 139 G C 1.399 176.328 174.900 0.047 0.000 1.154 139 G CA 0.952 46.039 45.100 -0.022 0.000 0.767 139 G HN 0.680 nan 8.290 nan 0.000 0.552 140 W N 0.260 121.638 121.300 0.130 0.000 2.335 140 W HA -0.107 4.562 4.660 0.014 0.000 0.311 140 W C 2.877 179.528 176.519 0.220 0.000 1.213 140 W CA 0.765 58.228 57.345 0.196 0.000 1.274 140 W CB -0.195 29.418 29.460 0.255 0.000 1.148 140 W HN 0.069 nan 8.180 nan 0.000 0.498 141 M N 0.024 119.878 119.600 0.423 0.000 2.086 141 M HA -0.175 4.313 4.480 0.014 0.000 0.261 141 M C 1.584 178.007 176.300 0.204 0.000 1.067 141 M CA 1.505 56.979 55.300 0.291 0.000 1.116 141 M CB -1.849 30.883 32.600 0.219 0.000 1.348 141 M HN 0.043 nan 8.290 nan 0.000 0.407 142 N N 0.895 119.682 118.700 0.144 0.000 2.166 142 N HA -0.059 4.690 4.740 0.014 0.000 0.186 142 N C 1.768 177.433 175.510 0.258 0.000 1.019 142 N CA 1.687 54.826 53.050 0.148 0.000 0.856 142 N CB -0.454 38.191 38.487 0.264 0.000 0.993 142 N HN 0.378 nan 8.380 nan 0.000 0.426 143 A N 1.141 124.107 122.820 0.244 0.000 1.930 143 A HA -0.020 4.309 4.320 0.014 0.000 0.217 143 A C 2.367 180.164 177.584 0.355 0.000 1.175 143 A CA 0.837 53.024 52.037 0.251 0.000 0.627 143 A CB -0.649 18.492 19.000 0.235 0.000 0.815 143 A HN 0.194 nan 8.150 nan 0.000 0.443 144 L N -0.841 120.614 121.223 0.386 0.000 2.056 144 L HA -0.169 4.180 4.340 0.014 0.000 0.207 144 L C 2.646 179.691 176.870 0.292 0.000 1.078 144 L CA 1.761 56.834 54.840 0.389 0.000 0.749 144 L CB -0.508 41.765 42.059 0.356 0.000 0.901 144 L HN 0.569 nan 8.230 nan 0.000 0.433 145 E N 0.626 120.949 120.200 0.205 0.000 2.204 145 E HA -0.218 4.141 4.350 0.014 0.000 0.194 145 E C 2.173 178.792 176.600 0.033 0.000 0.989 145 E CA 0.987 57.455 56.400 0.112 0.000 0.824 145 E CB 0.076 29.825 29.700 0.082 0.000 0.756 145 E HN 0.458 nan 8.360 nan 0.000 0.477 146 A N 0.076 122.938 122.820 0.070 0.000 1.972 146 A HA -0.162 4.167 4.320 0.014 0.000 0.219 146 A C 1.729 179.189 177.584 -0.205 0.000 1.169 146 A CA 1.035 53.010 52.037 -0.103 0.000 0.635 146 A CB -0.694 18.356 19.000 0.083 0.000 0.810 146 A HN 0.377 nan 8.150 nan 0.000 0.446 147 Y N 0.131 120.416 120.300 -0.024 0.000 2.145 147 Y HA -0.230 4.328 4.550 0.014 0.000 0.286 147 Y C 2.821 178.680 175.900 -0.069 0.000 1.145 147 Y CA 2.100 60.186 58.100 -0.023 0.000 1.148 147 Y CB -0.376 38.105 38.460 0.034 0.000 0.981 147 Y HN 0.402 nan 8.280 nan 0.000 0.507 148 Q N -0.291 119.568 119.800 0.098 0.000 2.079 148 Q HA -0.159 4.190 4.340 0.014 0.000 0.200 148 Q C 1.844 177.802 176.000 -0.071 0.000 0.974 148 Q CA 1.010 56.828 55.803 0.025 0.000 0.840 148 Q CB -0.090 28.671 28.738 0.037 0.000 0.898 148 Q HN 0.181 nan 8.270 nan 0.000 0.430 149 K N 0.399 120.676 120.400 -0.205 0.000 2.504 149 K HA -0.034 4.294 4.320 0.014 0.000 0.195 149 K C 1.550 177.950 176.600 -0.333 0.000 1.036 149 K CA 0.997 57.086 56.287 -0.330 0.000 0.984 149 K CB -0.012 32.087 32.500 -0.668 0.000 0.788 149 K HN 0.348 nan 8.250 nan 0.000 0.488 150 T N -3.766 110.635 114.554 -0.254 0.000 3.182 150 T HA 0.284 4.643 4.350 0.014 0.000 0.277 150 T C 0.928 175.594 174.700 -0.057 0.000 1.013 150 T CA 0.202 62.215 62.100 -0.145 0.000 0.900 150 T CB 0.291 69.069 68.868 -0.150 0.000 1.098 150 T HN 0.201 nan 8.240 nan 0.000 0.543 151 G N 1.390 110.166 108.800 -0.041 0.000 2.246 151 G HA2 -0.219 3.750 3.960 0.014 0.000 0.273 151 G HA3 -0.219 3.750 3.960 0.014 0.000 0.273 151 G C -0.375 174.537 174.900 0.019 0.000 1.055 151 G CA 0.080 45.176 45.100 -0.006 0.000 0.851 151 G HN 0.708 nan 8.290 nan 0.000 0.500 152 Q N -0.800 119.029 119.800 0.049 0.000 2.351 152 Q HA 0.512 4.861 4.340 0.014 0.000 0.273 152 Q C -0.074 175.984 176.000 0.095 0.000 1.077 152 Q CA -0.877 54.983 55.803 0.095 0.000 0.843 152 Q CB 1.745 30.589 28.738 0.178 0.000 1.367 152 Q HN 0.427 nan 8.270 nan 0.000 0.449 153 E N 1.184 121.421 120.200 0.060 0.000 2.331 153 E HA 0.186 4.544 4.350 0.014 0.000 0.272 153 E C -0.451 176.101 176.600 -0.080 0.000 1.036 153 E CA -0.257 56.146 56.400 0.005 0.000 0.864 153 E CB 0.871 30.563 29.700 -0.013 0.000 1.035 153 E HN 0.401 nan 8.360 nan 0.000 0.408 154 I N 4.890 125.376 120.570 -0.140 0.000 2.598 154 I HA -0.041 4.138 4.170 0.014 0.000 0.284 154 I C -1.495 174.435 176.117 -0.311 0.000 1.140 154 I CA -1.263 59.822 61.300 -0.359 0.000 1.420 154 I CB 0.337 38.232 38.000 -0.175 0.000 1.387 154 I HN 0.336 nan 8.210 nan 0.000 0.553 155 P HA -0.041 nan 4.420 nan 0.000 0.233 155 P C -0.093 177.105 177.300 -0.170 0.000 1.167 155 P CA 0.671 63.632 63.100 -0.231 0.000 0.770 155 P CB 0.042 31.619 31.700 -0.204 0.000 0.837 156 V N -4.604 115.209 119.914 -0.169 0.000 3.130 156 V HA 0.584 4.713 4.120 0.014 0.000 0.310 156 V C -0.695 175.332 176.094 -0.111 0.000 1.158 156 V CA -1.479 60.747 62.300 -0.123 0.000 1.029 156 V CB 1.693 33.446 31.823 -0.118 0.000 1.057 156 V HN -0.308 nan 8.190 nan 0.000 0.436 157 N N 1.321 119.961 118.700 -0.100 0.000 2.513 157 N HA 0.723 5.471 4.740 0.014 0.000 0.274 157 N C -0.891 174.529 175.510 -0.151 0.000 1.189 157 N CA -0.163 52.822 53.050 -0.109 0.000 0.975 157 N CB 0.887 39.308 38.487 -0.109 0.000 1.157 157 N HN 0.738 nan 8.380 nan 0.000 0.465 158 L N 1.384 122.496 121.223 -0.184 0.000 2.362 158 L HA 0.528 4.876 4.340 0.014 0.000 0.275 158 L C -0.185 176.476 176.870 -0.349 0.000 0.998 158 L CA -0.812 53.824 54.840 -0.341 0.000 0.820 158 L CB 1.495 43.250 42.059 -0.507 0.000 1.270 158 L HN 0.198 nan 8.230 nan 0.000 0.415 159 R N 3.055 123.326 120.500 -0.381 0.000 2.320 159 R HA 0.428 4.777 4.340 0.014 0.000 0.319 159 R C -1.237 174.996 176.300 -0.113 0.000 0.969 159 R CA -0.514 55.447 56.100 -0.233 0.000 0.857 159 R CB 0.914 30.986 30.300 -0.380 0.000 1.160 159 R HN 0.309 nan 8.270 nan 0.000 0.491 160 F N 1.154 121.203 119.950 0.165 0.000 2.427 160 F HA 0.216 4.751 4.527 0.014 0.000 0.352 160 F C 1.040 176.961 175.800 0.201 0.000 1.100 160 F CA -0.472 57.592 58.000 0.107 0.000 1.191 160 F CB 1.004 40.033 39.000 0.049 0.000 1.128 160 F HN 0.297 nan 8.300 nan 0.000 0.533 161 C N 7.421 126.954 119.300 0.389 0.000 2.521 161 C HA 0.636 5.105 4.460 0.014 0.000 0.291 161 C C -0.711 174.460 174.990 0.302 0.000 1.074 161 C CA -0.827 58.437 59.018 0.411 0.000 1.495 161 C CB -1.422 26.769 27.740 0.750 0.000 1.862 161 C HN 0.744 nan 8.230 nan 0.000 0.418 162 L N 5.926 127.240 121.223 0.152 0.000 2.296 162 L HA 0.626 4.975 4.340 0.014 0.000 0.286 162 L C 0.186 177.075 176.870 0.031 0.000 1.023 162 L CA -0.146 54.708 54.840 0.023 0.000 0.812 162 L CB 1.505 43.563 42.059 -0.001 0.000 1.223 162 L HN 0.727 nan 8.230 nan 0.000 0.421 163 E N 1.315 121.525 120.200 0.017 0.000 2.281 163 E HA 0.670 5.029 4.350 0.014 0.000 0.257 163 E C 0.229 176.855 176.600 0.044 0.000 0.971 163 E CA -0.838 55.600 56.400 0.064 0.000 0.839 163 E CB 1.928 31.722 29.700 0.156 0.000 1.238 163 E HN 0.549 nan 8.360 nan 0.000 0.412 164 G N 0.343 109.163 108.800 0.034 0.000 3.839 164 G HA2 0.167 4.136 3.960 0.014 0.000 0.286 164 G HA3 0.167 4.136 3.960 0.014 0.000 0.286 164 G C 0.189 175.097 174.900 0.014 0.000 1.005 164 G CA -0.252 44.860 45.100 0.020 0.000 0.824 164 G HN 0.334 nan 8.290 nan 0.000 0.489 165 M N 0.440 120.049 119.600 0.015 0.000 2.504 165 M HA 0.275 4.764 4.480 0.014 0.000 0.370 165 M C 1.319 177.586 176.300 -0.054 0.000 1.110 165 M CA -0.244 55.048 55.300 -0.013 0.000 0.938 165 M CB 0.813 33.410 32.600 -0.004 0.000 1.460 165 M HN 0.179 nan 8.290 nan 0.000 0.535 166 E N 1.658 121.803 120.200 -0.093 0.000 2.106 166 E HA -0.150 4.209 4.350 0.014 0.000 0.192 166 E C 0.894 177.333 176.600 -0.267 0.000 0.984 166 E CA 1.218 57.495 56.400 -0.205 0.000 0.806 166 E CB 0.451 29.906 29.700 -0.408 0.000 0.750 166 E HN 0.427 nan 8.360 nan 0.000 0.458 167 E N -0.186 119.869 120.200 -0.242 0.000 2.478 167 E HA -0.007 4.351 4.350 0.014 0.000 0.198 167 E C 0.946 177.466 176.600 -0.133 0.000 1.046 167 E CA 0.290 56.584 56.400 -0.176 0.000 0.870 167 E CB 0.289 29.900 29.700 -0.147 0.000 0.818 167 E HN 0.031 nan 8.360 nan 0.000 0.527 168 S N -1.025 114.609 115.700 -0.109 0.000 2.730 168 S HA 0.347 4.825 4.470 0.014 0.000 0.244 168 S C 1.097 175.714 174.600 0.029 0.000 1.022 168 S CA 0.264 58.464 58.200 -0.001 0.000 1.014 168 S CB 1.441 64.643 63.200 0.004 0.000 0.963 168 S HN 0.398 nan 8.310 nan 0.000 0.540 169 G N 1.283 109.962 108.800 -0.201 0.000 2.192 169 G HA2 -0.225 3.744 3.960 0.014 0.000 0.193 169 G HA3 -0.225 3.744 3.960 0.014 0.000 0.193 169 G C 0.292 175.134 174.900 -0.097 0.000 0.999 169 G CA -0.208 44.759 45.100 -0.221 0.000 0.659 169 G HN 0.706 nan 8.290 nan 0.000 0.503 170 S N -0.269 115.391 115.700 -0.067 0.000 3.749 170 S HA -0.210 4.269 4.470 0.014 0.000 0.348 170 S C 0.319 174.909 174.600 -0.016 0.000 1.045 170 S CA 1.505 59.687 58.200 -0.030 0.000 1.051 170 S CB -1.087 62.085 63.200 -0.046 0.000 0.898 170 S HN 1.186 nan 8.310 nan 0.000 0.472 171 E N 0.340 120.539 120.200 -0.002 0.000 2.558 171 E HA 0.276 4.634 4.350 0.014 0.000 0.255 171 E C 1.368 177.969 176.600 0.001 0.000 0.968 171 E CA 1.245 57.648 56.400 0.004 0.000 0.939 171 E CB -0.243 29.463 29.700 0.009 0.000 0.921 171 E HN 0.767 nan 8.360 nan 0.000 0.477 172 G N 3.428 112.228 108.800 0.000 0.000 2.205 172 G HA2 -0.314 3.654 3.960 0.014 0.000 0.261 172 G HA3 -0.314 3.654 3.960 0.014 0.000 0.261 172 G C 0.576 175.474 174.900 -0.002 0.000 0.980 172 G CA 0.396 45.497 45.100 0.002 0.000 0.632 172 G HN 0.545 nan 8.290 nan 0.000 0.533 173 L N 0.939 122.151 121.223 -0.019 0.000 2.068 173 L HA 0.277 4.626 4.340 0.014 0.000 0.204 173 L C 2.250 179.056 176.870 -0.107 0.000 1.076 173 L CA 2.704 57.516 54.840 -0.047 0.000 0.753 173 L CB -0.488 41.544 42.059 -0.045 0.000 0.910 173 L HN 0.133 nan 8.230 nan 0.000 0.439 174 D N -0.214 120.129 120.400 -0.095 0.000 2.133 174 D HA -0.255 4.393 4.640 0.014 0.000 0.195 174 D C 2.037 178.394 176.300 0.096 0.000 0.997 174 D CA 1.549 55.515 54.000 -0.056 0.000 0.840 174 D CB 0.001 40.825 40.800 0.039 0.000 0.947 174 D HN 0.559 nan 8.370 nan 0.000 0.452 175 E N -0.097 120.152 120.200 0.082 0.000 2.047 175 E HA -0.163 4.195 4.350 0.014 0.000 0.191 175 E C 2.136 178.792 176.600 0.094 0.000 0.987 175 E CA 0.462 56.926 56.400 0.107 0.000 0.799 175 E CB -0.123 29.608 29.700 0.051 0.000 0.752 175 E HN 0.122 nan 8.360 nan 0.000 0.449 176 L N 1.127 122.378 121.223 0.047 0.000 2.083 176 L HA -0.142 4.206 4.340 0.014 0.000 0.209 176 L C 2.086 179.008 176.870 0.086 0.000 1.083 176 L CA 1.475 56.352 54.840 0.060 0.000 0.752 176 L CB -0.267 41.819 42.059 0.045 0.000 0.899 176 L HN 0.239 nan 8.230 nan 0.000 0.433 177 I N -1.640 118.903 120.570 -0.044 0.000 2.163 177 I HA -0.283 3.896 4.170 0.014 0.000 0.240 177 I C 2.153 178.151 176.117 -0.198 0.000 1.081 177 I CA 1.286 62.443 61.300 -0.238 0.000 1.353 177 I CB -0.389 37.162 38.000 -0.749 0.000 1.054 177 I HN 0.138 nan 8.210 nan 0.000 0.407 178 F N 1.066 120.965 119.950 -0.085 0.000 2.134 178 F HA -0.214 4.322 4.527 0.014 0.000 0.299 178 F C 2.641 178.453 175.800 0.021 0.000 1.097 178 F CA 1.382 59.357 58.000 -0.042 0.000 1.264 178 F CB -0.960 38.008 39.000 -0.053 0.000 1.001 178 F HN 0.005 nan 8.300 nan 0.000 0.479 179 A N -0.671 122.272 122.820 0.205 0.000 1.917 179 A HA -0.222 4.107 4.320 0.014 0.000 0.219 179 A C 1.979 179.660 177.584 0.162 0.000 1.182 179 A CA 1.715 53.841 52.037 0.149 0.000 0.633 179 A CB -0.536 18.531 19.000 0.111 0.000 0.819 179 A HN 0.383 nan 8.150 nan 0.000 0.448 180 Q N -0.657 119.274 119.800 0.219 0.000 2.247 180 Q HA 0.010 4.359 4.340 0.014 0.000 0.204 180 Q C 1.580 177.814 176.000 0.391 0.000 0.872 180 Q CA 0.641 56.625 55.803 0.301 0.000 0.951 180 Q CB 0.287 29.255 28.738 0.382 0.000 1.099 180 Q HN 0.955 nan 8.270 nan 0.000 0.501 181 K N 0.252 120.809 120.400 0.263 0.000 2.152 181 K HA -0.146 4.182 4.320 0.014 0.000 0.206 181 K C 0.148 176.857 176.600 0.181 0.000 1.048 181 K CA 1.430 57.837 56.287 0.199 0.000 0.933 181 K CB 0.199 32.746 32.500 0.078 0.000 0.721 181 K HN -0.056 nan 8.250 nan 0.000 0.447 182 D N 0.255 120.743 120.400 0.146 0.000 2.501 182 D HA 0.176 4.825 4.640 0.014 0.000 0.226 182 D C 0.337 176.687 176.300 0.084 0.000 1.198 182 D CA 0.031 54.088 54.000 0.095 0.000 0.830 182 D CB 0.899 41.742 40.800 0.073 0.000 1.014 182 D HN 0.282 nan 8.370 nan 0.000 0.496 183 K N -0.700 119.770 120.400 0.117 0.000 3.857 183 K HA 0.163 4.492 4.320 0.014 0.000 0.259 183 K C 1.304 177.941 176.600 0.061 0.000 1.373 183 K CA -0.523 55.817 56.287 0.088 0.000 1.484 183 K CB -0.005 32.559 32.500 0.106 0.000 2.418 183 K HN -0.170 nan 8.250 nan 0.000 0.500 184 F N 1.425 121.320 119.950 -0.091 0.000 2.126 184 F HA -0.115 4.421 4.527 0.015 0.000 0.299 184 F C 1.365 176.955 175.800 -0.350 0.000 1.096 184 F CA 1.653 59.481 58.000 -0.287 0.000 1.255 184 F CB 0.063 38.765 39.000 -0.497 0.000 0.997 184 F HN 0.064 nan 8.300 nan 0.000 0.479 185 F N 0.874 120.875 119.950 0.086 0.000 2.692 185 F HA 0.131 4.667 4.527 0.014 0.000 0.303 185 F C 1.942 177.704 175.800 -0.063 0.000 1.114 185 F CA 0.192 58.193 58.000 0.001 0.000 1.361 185 F CB -0.722 38.352 39.000 0.124 0.000 1.063 185 F HN 0.003 nan 8.300 nan 0.000 0.550 186 K N -0.382 120.038 120.400 0.034 0.000 2.097 186 K HA -0.101 4.227 4.320 0.014 0.000 0.205 186 K C 0.751 177.328 176.600 -0.038 0.000 1.050 186 K CA 1.759 58.054 56.287 0.013 0.000 0.938 186 K CB -0.231 32.270 32.500 0.003 0.000 0.718 186 K HN 0.056 nan 8.250 nan 0.000 0.442 187 D N 1.298 121.642 120.400 -0.093 0.000 2.340 187 D HA 0.031 4.679 4.640 0.014 0.000 0.220 187 D C -0.111 176.119 176.300 -0.117 0.000 1.039 187 D CA 0.131 54.066 54.000 -0.108 0.000 0.866 187 D CB 0.286 41.007 40.800 -0.132 0.000 0.913 187 D HN -0.010 nan 8.370 nan 0.000 0.523 188 V N 2.326 122.184 119.914 -0.093 0.000 2.529 188 V HA -0.058 4.071 4.120 0.014 0.000 0.292 188 V C 1.211 177.206 176.094 -0.166 0.000 1.028 188 V CA 0.562 62.804 62.300 -0.097 0.000 1.074 188 V CB 1.238 33.064 31.823 0.004 0.000 0.958 188 V HN 0.038 nan 8.190 nan 0.000 0.481 189 D N 2.981 123.226 120.400 -0.260 0.000 2.380 189 D HA 0.112 4.761 4.640 0.014 0.000 0.212 189 D C -0.388 175.397 176.300 -0.859 0.000 1.021 189 D CA 1.041 54.701 54.000 -0.567 0.000 0.884 189 D CB 0.633 41.016 40.800 -0.695 0.000 1.001 189 D HN 0.580 nan 8.370 nan 0.000 0.506 190 Y N -0.362 119.813 120.300 -0.208 0.000 2.544 190 Y HA 0.376 4.934 4.550 0.014 0.000 0.342 190 Y C -0.497 175.259 175.900 -0.240 0.000 1.062 190 Y CA -1.082 56.798 58.100 -0.366 0.000 1.023 190 Y CB 1.950 40.041 38.460 -0.615 0.000 1.308 190 Y HN -0.420 nan 8.280 nan 0.000 0.457 191 V N 2.036 121.925 119.914 -0.042 0.000 2.417 191 V HA 0.489 4.617 4.120 0.014 0.000 0.291 191 V C -0.627 175.501 176.094 0.057 0.000 1.024 191 V CA -0.722 61.513 62.300 -0.107 0.000 0.861 191 V CB 1.456 33.099 31.823 -0.300 0.000 0.985 191 V HN 0.929 nan 8.190 nan 0.000 0.436 192 C N 7.035 126.326 119.300 -0.014 0.000 2.408 192 C HA 0.757 5.225 4.460 0.014 0.000 0.321 192 C C -0.466 174.527 174.990 0.005 0.000 1.245 192 C CA -0.453 58.578 59.018 0.021 0.000 1.523 192 C CB 0.113 27.868 27.740 0.024 0.000 2.178 192 C HN 0.846 nan 8.230 nan 0.000 0.488 193 I N 4.433 125.045 120.570 0.068 0.000 2.436 193 I HA 0.338 4.516 4.170 0.014 0.000 0.289 193 I C -0.040 176.190 176.117 0.188 0.000 1.010 193 I CA 0.073 61.467 61.300 0.157 0.000 1.098 193 I CB 1.950 40.017 38.000 0.111 0.000 1.266 193 I HN 0.568 nan 8.210 nan 0.000 0.434 194 S N 4.233 120.116 115.700 0.305 0.000 2.528 194 S HA 0.357 4.836 4.470 0.014 0.000 0.303 194 S C -0.591 174.058 174.600 0.082 0.000 1.123 194 S CA -0.269 58.008 58.200 0.130 0.000 1.138 194 S CB -0.038 63.174 63.200 0.019 0.000 0.984 194 S HN 0.671 nan 8.310 nan 0.000 0.474 195 D N 3.678 124.076 120.400 -0.004 0.000 3.404 195 D HA 0.212 4.860 4.640 0.014 0.000 0.329 195 D C -0.474 175.687 176.300 -0.233 0.000 1.421 195 D CA -0.235 53.748 54.000 -0.028 0.000 0.742 195 D CB -0.084 40.799 40.800 0.138 0.000 1.290 195 D HN 0.630 nan 8.370 nan 0.000 0.600 196 N N -1.311 117.077 118.700 -0.520 0.000 3.449 196 N HA 0.308 5.056 4.740 0.014 0.000 0.312 196 N C -1.332 173.505 175.510 -1.121 0.000 1.582 196 N CA -0.460 52.042 53.050 -0.912 0.000 0.850 196 N CB 0.868 39.181 38.487 -0.290 0.000 1.822 196 N HN -0.079 nan 8.380 nan 0.000 0.577 197 Y N -1.884 118.483 120.300 0.113 0.000 2.524 197 Y HA 0.492 5.051 4.550 0.014 0.000 0.347 197 Y C -0.577 175.479 175.900 0.259 0.000 1.005 197 Y CA -0.990 57.199 58.100 0.147 0.000 1.025 197 Y CB 0.845 39.364 38.460 0.098 0.000 1.275 197 Y HN 0.397 nan 8.280 nan 0.000 0.460 198 W N 3.196 124.552 121.300 0.093 0.000 2.231 198 W HA 0.045 4.714 4.660 0.014 0.000 0.341 198 W C 1.437 178.026 176.519 0.117 0.000 1.298 198 W CA -0.716 56.657 57.345 0.046 0.000 1.266 198 W CB 0.100 29.557 29.460 -0.004 0.000 1.172 198 W HN 0.669 nan 8.180 nan 0.000 0.568 199 L N 3.173 124.573 121.223 0.294 0.000 2.056 199 L HA 0.135 4.484 4.340 0.014 0.000 0.207 199 L C 1.110 178.205 176.870 0.375 0.000 1.078 199 L CA 2.331 57.324 54.840 0.256 0.000 0.749 199 L CB -0.904 41.250 42.059 0.160 0.000 0.901 199 L HN 0.379 nan 8.230 nan 0.000 0.433 200 G N -2.000 107.024 108.800 0.374 0.000 3.176 200 G HA2 0.311 4.280 3.960 0.014 0.000 0.272 200 G HA3 0.311 4.280 3.960 0.014 0.000 0.272 200 G C -0.201 174.917 174.900 0.362 0.000 1.349 200 G CA -0.430 44.890 45.100 0.367 0.000 0.953 200 G HN -0.019 nan 8.290 nan 0.000 0.559 201 K N -0.591 119.972 120.400 0.271 0.000 2.358 201 K HA 0.149 4.478 4.320 0.014 0.000 0.197 201 K C 1.082 177.855 176.600 0.288 0.000 1.025 201 K CA 0.120 56.557 56.287 0.250 0.000 1.104 201 K CB 0.432 33.013 32.500 0.134 0.000 0.855 201 K HN 0.383 nan 8.250 nan 0.000 0.531 202 N N 0.446 119.300 118.700 0.256 0.000 2.591 202 N HA 0.023 4.772 4.740 0.014 0.000 0.200 202 N C -0.259 175.313 175.510 0.104 0.000 1.040 202 N CA 0.283 53.442 53.050 0.181 0.000 0.911 202 N CB 0.556 39.105 38.487 0.104 0.000 1.259 202 N HN -0.120 nan 8.380 nan 0.000 0.438 203 K N 1.639 121.999 120.400 -0.067 0.000 2.164 203 K HA 0.386 4.714 4.320 0.014 0.000 0.258 203 K C -2.605 173.389 176.600 -1.010 0.000 0.951 203 K CA -2.038 54.034 56.287 -0.358 0.000 0.844 203 K CB 1.825 34.204 32.500 -0.202 0.000 1.099 203 K HN -0.034 nan 8.250 nan 0.000 0.435 204 P HA 0.094 nan 4.420 nan 0.000 0.273 204 P C -0.479 176.243 177.300 -0.962 0.000 1.250 204 P CA -0.427 61.483 63.100 -1.983 0.000 0.793 204 P CB 0.572 31.497 31.700 -1.291 0.000 1.011 205 C N 0.215 119.057 119.300 -0.762 0.000 2.971 205 C HA 0.658 5.126 4.460 0.014 0.000 0.310 205 C C 0.121 174.989 174.990 -0.203 0.000 1.285 205 C CA -0.487 58.327 59.018 -0.339 0.000 1.593 205 C CB 1.311 28.924 27.740 -0.213 0.000 2.076 205 C HN 0.421 nan 8.230 nan 0.000 0.472 206 I N 1.247 121.759 120.570 -0.098 0.000 2.466 206 I HA 0.362 4.541 4.170 0.014 0.000 0.289 206 I C -0.291 175.863 176.117 0.061 0.000 1.026 206 I CA 0.112 61.401 61.300 -0.019 0.000 1.078 206 I CB 2.022 40.048 38.000 0.044 0.000 1.249 206 I HN 0.575 nan 8.210 nan 0.000 0.429 207 T N 5.094 119.692 114.554 0.073 0.000 2.795 207 T HA 0.283 4.641 4.350 0.014 0.000 0.282 207 T C 0.161 175.026 174.700 0.275 0.000 0.980 207 T CA -0.134 61.996 62.100 0.051 0.000 1.012 207 T CB 0.643 69.502 68.868 -0.014 0.000 0.936 207 T HN 0.594 nan 8.240 nan 0.000 0.457 208 Y N 0.609 120.908 120.300 -0.001 0.000 2.500 208 Y HA 0.696 5.255 4.550 0.015 0.000 0.246 208 Y C 0.499 175.957 175.900 -0.737 0.000 1.146 208 Y CA -0.860 57.171 58.100 -0.115 0.000 1.230 208 Y CB 0.483 38.873 38.460 -0.117 0.000 1.214 208 Y HN 0.675 nan 8.280 nan 0.000 0.526 209 G N 1.037 109.347 108.800 -0.817 0.000 2.742 209 G HA2 0.623 4.592 3.960 0.014 0.000 0.296 209 G HA3 0.623 4.592 3.960 0.014 0.000 0.296 209 G C -2.199 172.608 174.900 -0.156 0.000 1.436 209 G CA -0.940 43.723 45.100 -0.730 0.000 0.928 209 G HN 0.145 nan 8.290 nan 0.000 0.520 210 L N 0.513 121.837 121.223 0.168 0.000 2.409 210 L HA 0.589 4.938 4.340 0.014 0.000 0.262 210 L C 0.424 177.373 176.870 0.131 0.000 0.992 210 L CA -1.053 53.901 54.840 0.190 0.000 0.817 210 L CB 2.743 44.995 42.059 0.321 0.000 1.350 210 L HN 0.487 nan 8.230 nan 0.000 0.411 211 R N -0.071 120.484 120.500 0.092 0.000 2.707 211 R HA 0.467 4.816 4.340 0.014 0.000 0.270 211 R C 0.297 176.665 176.300 0.113 0.000 1.083 211 R CA 0.065 56.224 56.100 0.098 0.000 1.182 211 R CB 0.642 31.004 30.300 0.103 0.000 1.084 211 R HN 0.812 nan 8.270 nan 0.000 0.528 212 G N 0.245 109.110 108.800 0.108 0.000 2.531 212 G HA2 0.586 4.554 3.960 0.014 0.000 0.313 212 G HA3 0.586 4.554 3.960 0.014 0.000 0.313 212 G C -1.125 173.838 174.900 0.105 0.000 1.238 212 G CA -0.580 44.580 45.100 0.100 0.000 0.994 212 G HN 0.526 nan 8.290 nan 0.000 0.493 213 I N -1.080 119.548 120.570 0.096 0.000 2.610 213 I HA 0.411 4.589 4.170 0.014 0.000 0.289 213 I C -1.289 174.879 176.117 0.084 0.000 1.163 213 I CA -0.615 60.754 61.300 0.114 0.000 1.044 213 I CB 1.405 39.486 38.000 0.135 0.000 1.251 213 I HN 0.447 nan 8.210 nan 0.000 0.424 214 C N 6.817 126.147 119.300 0.050 0.000 2.298 214 C HA 0.444 4.913 4.460 0.014 0.000 0.323 214 C C -0.578 174.213 174.990 -0.332 0.000 1.284 214 C CA -0.429 58.492 59.018 -0.162 0.000 1.577 214 C CB 0.410 28.091 27.740 -0.098 0.000 2.249 214 C HN 0.657 nan 8.230 nan 0.000 0.497 215 Y N 2.946 122.915 120.300 -0.551 0.000 2.331 215 Y HA 0.664 5.222 4.550 0.014 0.000 0.338 215 Y C -0.560 174.768 175.900 -0.954 0.000 0.992 215 Y CA -0.257 57.490 58.100 -0.588 0.000 1.121 215 Y CB 0.503 38.724 38.460 -0.400 0.000 1.184 215 Y HN 0.632 nan 8.280 nan 0.000 0.469 216 F N 4.895 124.265 119.950 -0.967 0.000 2.561 216 F HA 0.571 5.106 4.527 0.013 0.000 0.321 216 F C -1.271 173.934 175.800 -0.991 0.000 1.065 216 F CA -1.023 56.438 58.000 -0.897 0.000 0.934 216 F CB 1.420 39.664 39.000 -1.260 0.000 1.215 216 F HN 0.242 nan 8.300 nan 0.000 0.471 217 F N 2.910 122.690 119.950 -0.283 0.000 2.499 217 F HA 0.520 5.055 4.527 0.014 0.000 0.333 217 F C -0.463 175.161 175.800 -0.293 0.000 1.138 217 F CA -0.709 57.067 58.000 -0.374 0.000 0.945 217 F CB 1.299 39.753 39.000 -0.910 0.000 1.181 217 F HN 0.137 nan 8.300 nan 0.000 0.435 218 I N 2.868 123.490 120.570 0.087 0.000 2.306 218 I HA 0.260 4.439 4.170 0.014 0.000 0.288 218 I C -0.251 175.895 176.117 0.049 0.000 1.036 218 I CA -0.374 60.964 61.300 0.064 0.000 1.221 218 I CB 1.210 39.310 38.000 0.167 0.000 1.385 218 I HN 0.609 nan 8.210 nan 0.000 0.472 219 E N 6.646 126.826 120.200 -0.034 0.000 2.134 219 E HA 0.536 4.895 4.350 0.014 0.000 0.278 219 E C -1.502 175.085 176.600 -0.022 0.000 0.959 219 E CA -0.593 55.817 56.400 0.017 0.000 0.783 219 E CB 1.573 31.319 29.700 0.077 0.000 1.095 219 E HN 0.388 nan 8.360 nan 0.000 0.399 220 V N 4.677 124.624 119.914 0.055 0.000 2.483 220 V HA 0.339 4.468 4.120 0.014 0.000 0.297 220 V C -0.508 175.638 176.094 0.087 0.000 1.027 220 V CA -0.787 61.563 62.300 0.084 0.000 0.855 220 V CB 1.527 33.435 31.823 0.142 0.000 0.995 220 V HN 0.755 nan 8.190 nan 0.000 0.424 221 E N 3.094 123.343 120.200 0.083 0.000 2.222 221 E HA 0.498 4.857 4.350 0.014 0.000 0.267 221 E C 0.237 176.891 176.600 0.090 0.000 0.884 221 E CA -0.504 55.941 56.400 0.074 0.000 0.764 221 E CB 1.965 31.697 29.700 0.053 0.000 1.169 221 E HN 0.892 nan 8.360 nan 0.000 0.413 222 C N 1.712 121.058 119.300 0.076 0.000 3.724 222 C HA 0.537 5.005 4.460 0.014 0.000 0.327 222 C C 0.157 175.174 174.990 0.045 0.000 1.490 222 C CA 0.432 59.499 59.018 0.081 0.000 1.825 222 C CB -0.967 26.831 27.740 0.097 0.000 2.613 222 C HN 0.547 nan 8.230 nan 0.000 0.692 223 S N 0.427 116.140 115.700 0.022 0.000 2.615 223 S HA 0.435 4.913 4.470 0.014 0.000 0.268 223 S C -0.658 173.937 174.600 -0.008 0.000 1.146 223 S CA 0.408 58.602 58.200 -0.011 0.000 0.818 223 S CB 0.812 63.972 63.200 -0.066 0.000 1.111 223 S HN 0.370 nan 8.310 nan 0.000 0.465 224 D N -0.083 120.306 120.400 -0.018 0.000 2.349 224 D HA 0.188 4.837 4.640 0.014 0.000 0.214 224 D C 0.318 176.610 176.300 -0.014 0.000 1.063 224 D CA 0.176 54.171 54.000 -0.008 0.000 0.847 224 D CB -0.057 40.742 40.800 -0.001 0.000 0.933 224 D HN 0.763 nan 8.370 nan 0.000 0.513 225 K N -0.273 120.107 120.400 -0.033 0.000 2.527 225 K HA 0.349 4.677 4.320 0.014 0.000 0.260 225 K C -1.415 175.154 176.600 -0.052 0.000 0.937 225 K CA -0.796 55.472 56.287 -0.032 0.000 0.826 225 K CB 1.417 33.900 32.500 -0.027 0.000 1.359 225 K HN -0.353 nan 8.250 nan 0.000 0.434 226 D N 1.852 122.235 120.400 -0.027 0.000 2.423 226 D HA 0.179 4.827 4.640 0.014 0.000 0.238 226 D C -0.238 176.032 176.300 -0.051 0.000 1.142 226 D CA 0.273 54.256 54.000 -0.027 0.000 0.884 226 D CB 0.534 41.332 40.800 -0.002 0.000 1.199 226 D HN 0.342 nan 8.370 nan 0.000 0.438 227 L N 1.836 123.022 121.223 -0.062 0.000 2.346 227 L HA 0.218 4.567 4.340 0.014 0.000 0.276 227 L C 0.482 177.422 176.870 0.116 0.000 1.006 227 L CA -1.016 53.785 54.840 -0.064 0.000 0.817 227 L CB 1.724 43.591 42.059 -0.320 0.000 1.272 227 L HN 0.371 nan 8.230 nan 0.000 0.421 228 H N 2.104 121.269 119.070 0.158 0.000 3.157 228 H HA -0.049 4.515 4.556 0.014 0.000 0.299 228 H C 0.966 176.405 175.328 0.186 0.000 0.961 228 H CA 0.722 56.858 56.048 0.146 0.000 1.428 228 H CB 1.273 31.118 29.762 0.139 0.000 1.459 228 H HN 0.814 nan 8.280 nan 0.000 0.566 229 S N 2.260 118.007 115.700 0.078 0.000 2.522 229 S HA -0.021 4.457 4.470 0.014 0.000 0.227 229 S C 2.035 176.749 174.600 0.191 0.000 0.986 229 S CA 0.339 58.615 58.200 0.127 0.000 0.929 229 S CB 0.162 63.373 63.200 0.018 0.000 0.769 229 S HN 0.655 nan 8.310 nan 0.000 0.529 230 G N 1.632 110.660 108.800 0.380 0.000 2.395 230 G HA2 -0.016 3.952 3.960 0.014 0.000 0.214 230 G HA3 -0.016 3.952 3.960 0.014 0.000 0.214 230 G C 1.351 176.317 174.900 0.111 0.000 1.177 230 G CA 0.726 45.985 45.100 0.264 0.000 0.794 230 G HN 0.437 nan 8.290 nan 0.000 0.532 231 V N -0.236 119.724 119.914 0.077 0.000 2.343 231 V HA -0.151 3.978 4.120 0.014 0.000 0.247 231 V C 2.133 178.037 176.094 -0.316 0.000 1.051 231 V CA 1.510 63.673 62.300 -0.229 0.000 1.036 231 V CB -0.569 31.022 31.823 -0.387 0.000 0.654 231 V HN 0.485 nan 8.190 nan 0.000 0.451 232 Y N -0.180 120.159 120.300 0.066 0.000 2.445 232 Y HA 0.477 5.036 4.550 0.014 0.000 0.247 232 Y C 1.679 177.597 175.900 0.029 0.000 1.129 232 Y CA -0.156 57.968 58.100 0.041 0.000 1.251 232 Y CB -0.041 38.448 38.460 0.047 0.000 1.176 232 Y HN 0.220 nan 8.280 nan 0.000 0.522 233 G N 0.168 109.058 108.800 0.150 0.000 2.334 233 G HA2 0.374 4.342 3.960 0.014 0.000 0.261 233 G HA3 0.374 4.342 3.960 0.014 0.000 0.261 233 G C 1.040 175.967 174.900 0.045 0.000 1.257 233 G CA 0.564 45.718 45.100 0.089 0.000 0.935 233 G HN 0.585 nan 8.290 nan 0.000 0.480 234 G N 1.325 110.141 108.800 0.027 0.000 2.195 234 G HA2 -0.256 3.712 3.960 0.014 0.000 0.224 234 G HA3 -0.256 3.712 3.960 0.014 0.000 0.224 234 G C 1.188 176.080 174.900 -0.014 0.000 0.990 234 G CA 0.688 45.786 45.100 -0.003 0.000 0.639 234 G HN 0.990 nan 8.290 nan 0.000 0.514 235 S N -1.219 114.491 115.700 0.017 0.000 2.554 235 S HA 0.473 4.952 4.470 0.014 0.000 0.227 235 S C 0.635 175.249 174.600 0.024 0.000 1.050 235 S CA 0.762 58.977 58.200 0.026 0.000 0.927 235 S CB 1.240 64.483 63.200 0.071 0.000 0.859 235 S HN 1.632 nan 8.310 nan 0.000 0.494 236 V N 0.473 120.409 119.914 0.037 0.000 2.769 236 V HA 0.620 4.749 4.120 0.014 0.000 0.312 236 V C -1.181 174.896 176.094 -0.030 0.000 1.061 236 V CA -0.991 61.326 62.300 0.028 0.000 0.931 236 V CB 0.960 32.836 31.823 0.089 0.000 1.010 236 V HN 0.270 nan 8.190 nan 0.000 0.433 237 H N 2.310 121.412 119.070 0.053 0.000 3.160 237 H HA 0.301 4.866 4.556 0.014 0.000 0.257 237 H C 0.104 175.467 175.328 0.059 0.000 1.140 237 H CA 0.356 56.433 56.048 0.048 0.000 1.492 237 H CB 0.127 29.914 29.762 0.041 0.000 1.529 237 H HN 0.741 nan 8.280 nan 0.000 0.490 238 E N 2.445 122.733 120.200 0.147 0.000 2.290 238 E HA 0.118 4.477 4.350 0.014 0.000 0.277 238 E C 0.858 177.537 176.600 0.131 0.000 1.035 238 E CA -0.134 56.334 56.400 0.114 0.000 0.873 238 E CB 1.283 31.033 29.700 0.084 0.000 1.029 238 E HN 0.789 nan 8.360 nan 0.000 0.419 239 A N 5.056 127.949 122.820 0.122 0.000 1.927 239 A HA -0.271 4.057 4.320 0.014 0.000 0.220 239 A C 1.957 179.615 177.584 0.123 0.000 1.185 239 A CA 1.590 53.705 52.037 0.131 0.000 0.639 239 A CB -0.266 18.799 19.000 0.108 0.000 0.820 239 A HN 0.616 nan 8.150 nan 0.000 0.451 240 M N -0.641 119.020 119.600 0.102 0.000 2.108 240 M HA -0.125 4.364 4.480 0.014 0.000 0.261 240 M C 2.252 178.605 176.300 0.089 0.000 1.066 240 M CA 2.150 57.505 55.300 0.092 0.000 1.107 240 M CB -1.938 30.712 32.600 0.082 0.000 1.356 240 M HN 0.514 nan 8.290 nan 0.000 0.406 241 T N 0.942 115.550 114.554 0.089 0.000 2.635 241 T HA -0.180 4.178 4.350 0.014 0.000 0.267 241 T C 1.370 176.121 174.700 0.084 0.000 1.040 241 T CA 1.833 63.980 62.100 0.079 0.000 1.156 241 T CB -0.386 68.530 68.868 0.081 0.000 0.863 241 T HN 0.319 nan 8.240 nan 0.000 0.430 242 D N 0.860 121.332 120.400 0.119 0.000 2.092 242 D HA -0.064 4.584 4.640 0.014 0.000 0.193 242 D C 2.088 178.469 176.300 0.136 0.000 0.994 242 D CA 0.727 54.817 54.000 0.151 0.000 0.828 242 D CB -0.641 40.321 40.800 0.269 0.000 0.963 242 D HN 0.193 nan 8.370 nan 0.000 0.450 243 L N 0.820 122.122 121.223 0.132 0.000 2.017 243 L HA -0.138 4.211 4.340 0.014 0.000 0.208 243 L C 2.058 178.971 176.870 0.070 0.000 1.073 243 L CA 1.330 56.238 54.840 0.113 0.000 0.745 243 L CB -0.427 41.699 42.059 0.111 0.000 0.894 243 L HN -0.043 nan 8.230 nan 0.000 0.432 244 I N -0.843 119.762 120.570 0.059 0.000 2.264 244 I HA -0.274 3.905 4.170 0.014 0.000 0.248 244 I C 2.706 178.831 176.117 0.013 0.000 1.111 244 I CA 1.645 62.965 61.300 0.033 0.000 1.382 244 I CB -1.569 36.453 38.000 0.036 0.000 1.060 244 I HN 0.390 nan 8.210 nan 0.000 0.418 245 S N 0.769 116.482 115.700 0.021 0.000 2.356 245 S HA -0.123 4.355 4.470 0.014 0.000 0.223 245 S C 2.137 176.723 174.600 -0.023 0.000 1.032 245 S CA 1.187 59.387 58.200 -0.001 0.000 1.005 245 S CB -0.171 63.031 63.200 0.004 0.000 0.867 245 S HN 0.354 nan 8.310 nan 0.000 0.449 246 L N 0.670 121.888 121.223 -0.008 0.000 2.017 246 L HA -0.111 4.238 4.340 0.014 0.000 0.208 246 L C 2.689 179.506 176.870 -0.088 0.000 1.073 246 L CA 1.454 56.269 54.840 -0.041 0.000 0.745 246 L CB -0.527 41.549 42.059 0.030 0.000 0.894 246 L HN 0.390 nan 8.230 nan 0.000 0.432 247 M N -0.547 119.006 119.600 -0.078 0.000 2.279 247 M HA -0.091 4.397 4.480 0.014 0.000 0.264 247 M C 2.008 178.231 176.300 -0.128 0.000 1.062 247 M CA 1.602 56.817 55.300 -0.143 0.000 1.099 247 M CB -0.683 31.870 32.600 -0.079 0.000 1.394 247 M HN 0.328 nan 8.290 nan 0.000 0.426 248 G N -0.506 108.250 108.800 -0.074 0.000 2.920 248 G HA2 -0.055 3.913 3.960 0.014 0.000 0.208 248 G HA3 -0.055 3.913 3.960 0.014 0.000 0.208 248 G C 1.101 175.974 174.900 -0.045 0.000 1.159 248 G CA 0.509 45.577 45.100 -0.054 0.000 0.784 248 G HN 0.685 nan 8.290 nan 0.000 0.535 249 C N -1.036 118.238 119.300 -0.043 0.000 2.994 249 C HA 0.616 5.084 4.460 0.014 0.000 0.284 249 C C 1.849 176.882 174.990 0.072 0.000 1.404 249 C CA -0.579 58.452 59.018 0.021 0.000 1.775 249 C CB -1.134 26.621 27.740 0.024 0.000 2.458 249 C HN 0.193 nan 8.230 nan 0.000 0.593 250 L N 0.431 121.623 121.223 -0.052 0.000 2.316 250 L HA 0.340 4.689 4.340 0.014 0.000 0.207 250 L C 0.842 177.644 176.870 -0.112 0.000 1.070 250 L CA 0.721 55.490 54.840 -0.118 0.000 0.820 250 L CB 0.280 42.116 42.059 -0.373 0.000 0.992 250 L HN 0.351 nan 8.230 nan 0.000 0.466 251 V N 0.125 119.985 119.914 -0.091 0.000 2.888 251 V HA 0.302 4.431 4.120 0.014 0.000 0.309 251 V C -1.493 174.569 176.094 -0.054 0.000 1.114 251 V CA -0.905 61.355 62.300 -0.066 0.000 0.940 251 V CB 2.215 34.005 31.823 -0.055 0.000 1.021 251 V HN 0.314 nan 8.190 nan 0.000 0.426 252 D N 4.289 124.660 120.400 -0.049 0.000 2.511 252 D HA 0.252 4.901 4.640 0.014 0.000 0.276 252 D C 0.859 177.129 176.300 -0.050 0.000 1.220 252 D CA 0.052 54.024 54.000 -0.046 0.000 1.077 252 D CB 0.584 41.357 40.800 -0.045 0.000 1.126 252 D HN 0.651 nan 8.370 nan 0.000 0.583 253 K N -1.270 119.099 120.400 -0.052 0.000 2.486 253 K HA 0.051 4.379 4.320 0.014 0.000 0.194 253 K C 0.830 177.381 176.600 -0.081 0.000 1.033 253 K CA 0.456 56.708 56.287 -0.058 0.000 1.004 253 K CB -0.005 32.464 32.500 -0.051 0.000 0.798 253 K HN 0.035 nan 8.250 nan 0.000 0.495 254 K N 0.322 120.666 120.400 -0.093 0.000 2.373 254 K HA 0.129 4.457 4.320 0.014 0.000 0.202 254 K C 0.697 177.209 176.600 -0.146 0.000 1.025 254 K CA 0.562 56.764 56.287 -0.143 0.000 1.115 254 K CB 1.068 33.487 32.500 -0.135 0.000 0.858 254 K HN 0.466 nan 8.250 nan 0.000 0.525 255 G N 1.807 110.557 108.800 -0.083 0.000 2.159 255 G HA2 -0.279 3.690 3.960 0.014 0.000 0.256 255 G HA3 -0.279 3.690 3.960 0.014 0.000 0.256 255 G C -0.063 174.832 174.900 -0.009 0.000 0.977 255 G CA 0.172 45.251 45.100 -0.035 0.000 0.652 255 G HN 0.185 nan 8.290 nan 0.000 0.531 256 K N 0.699 121.080 120.400 -0.032 0.000 2.297 256 K HA 0.587 4.915 4.320 0.014 0.000 0.286 256 K C 0.977 177.557 176.600 -0.033 0.000 1.053 256 K CA -0.353 55.919 56.287 -0.025 0.000 0.940 256 K CB 0.545 33.020 32.500 -0.042 0.000 1.019 256 K HN 0.356 nan 8.250 nan 0.000 0.475 257 I N 4.927 125.482 120.570 -0.024 0.000 2.556 257 I HA -0.030 4.149 4.170 0.014 0.000 0.284 257 I C 0.874 176.929 176.117 -0.102 0.000 1.114 257 I CA 0.056 61.327 61.300 -0.050 0.000 1.418 257 I CB 0.525 38.513 38.000 -0.020 0.000 1.394 257 I HN 0.475 nan 8.210 nan 0.000 0.552 258 L N 6.642 127.773 121.223 -0.153 0.000 2.607 258 L HA 0.275 4.624 4.340 0.014 0.000 0.228 258 L C 0.581 177.142 176.870 -0.516 0.000 1.123 258 L CA -0.105 54.601 54.840 -0.224 0.000 0.890 258 L CB -0.102 41.882 42.059 -0.125 0.000 1.103 258 L HN 0.519 nan 8.230 nan 0.000 0.468 259 I N 1.973 122.225 120.570 -0.531 0.000 2.668 259 I HA 0.026 4.205 4.170 0.014 0.000 0.285 259 I C -1.927 173.935 176.117 -0.425 0.000 1.168 259 I CA -1.453 59.420 61.300 -0.712 0.000 1.424 259 I CB 0.145 37.943 38.000 -0.337 0.000 1.377 259 I HN -0.177 nan 8.210 nan 0.000 0.560 260 P HA 0.145 nan 4.420 nan 0.000 0.271 260 P C 0.749 177.997 177.300 -0.087 0.000 1.216 260 P CA 0.265 63.262 63.100 -0.171 0.000 0.771 260 P CB 0.925 32.570 31.700 -0.092 0.000 0.864 261 G N 2.505 111.276 108.800 -0.050 0.000 2.176 261 G HA2 -0.331 3.638 3.960 0.014 0.000 0.253 261 G HA3 -0.331 3.638 3.960 0.014 0.000 0.253 261 G C 0.842 175.741 174.900 -0.001 0.000 0.979 261 G CA 0.247 45.339 45.100 -0.012 0.000 0.641 261 G HN 0.514 nan 8.290 nan 0.000 0.530 262 I N 1.617 122.175 120.570 -0.021 0.000 2.202 262 I HA 0.029 4.208 4.170 0.014 0.000 0.242 262 I C 2.043 178.178 176.117 0.031 0.000 1.091 262 I CA 2.441 63.745 61.300 0.006 0.000 1.368 262 I CB -0.294 37.697 38.000 -0.015 0.000 1.058 262 I HN 0.384 nan 8.210 nan 0.000 0.410 263 N N 0.158 118.870 118.700 0.021 0.000 2.521 263 N HA -0.102 4.647 4.740 0.014 0.000 0.188 263 N C 1.067 176.604 175.510 0.045 0.000 1.146 263 N CA 0.382 53.457 53.050 0.041 0.000 0.893 263 N CB -0.045 38.456 38.487 0.024 0.000 0.975 263 N HN 0.313 nan 8.380 nan 0.000 0.451 264 D N 1.333 121.754 120.400 0.034 0.000 2.104 264 D HA -0.107 4.541 4.640 0.014 0.000 0.194 264 D C 1.635 177.960 176.300 0.042 0.000 0.994 264 D CA 0.995 55.016 54.000 0.033 0.000 0.830 264 D CB -0.193 40.623 40.800 0.028 0.000 0.959 264 D HN 0.311 nan 8.370 nan 0.000 0.452 265 A N 0.229 123.078 122.820 0.048 0.000 2.278 265 A HA 0.164 4.493 4.320 0.014 0.000 0.212 265 A C 0.650 178.266 177.584 0.054 0.000 1.213 265 A CA -0.136 51.930 52.037 0.049 0.000 0.840 265 A CB 0.110 19.141 19.000 0.051 0.000 0.866 265 A HN 0.020 nan 8.150 nan 0.000 0.489 266 V N 1.766 121.720 119.914 0.066 0.000 2.446 266 V HA 0.300 4.429 4.120 0.014 0.000 0.276 266 V C 1.126 177.255 176.094 0.058 0.000 1.030 266 V CA -0.247 62.099 62.300 0.077 0.000 1.033 266 V CB -0.217 31.688 31.823 0.136 0.000 0.993 266 V HN 0.551 nan 8.190 nan 0.000 0.477 267 A N 9.407 132.244 122.820 0.029 0.000 2.584 267 A HA 0.262 4.591 4.320 0.014 0.000 0.239 267 A C -1.531 176.061 177.584 0.014 0.000 1.043 267 A CA -0.561 51.484 52.037 0.013 0.000 0.756 267 A CB -0.474 18.522 19.000 -0.007 0.000 0.963 267 A HN 0.733 nan 8.150 nan 0.000 0.511 268 P HA 0.171 nan 4.420 nan 0.000 0.268 268 P C -0.281 177.023 177.300 0.007 0.000 1.204 268 P CA -0.163 62.955 63.100 0.031 0.000 0.768 268 P CB 0.436 32.157 31.700 0.034 0.000 0.842 269 V N 3.069 122.987 119.914 0.008 0.000 2.540 269 V HA 0.032 4.160 4.120 0.014 0.000 0.297 269 V C 1.430 177.530 176.094 0.010 0.000 1.024 269 V CA 0.645 62.920 62.300 -0.041 0.000 1.105 269 V CB 0.089 31.886 31.823 -0.044 0.000 0.938 269 V HN 0.703 nan 8.190 nan 0.000 0.482 270 T N 2.274 116.827 114.554 -0.002 0.000 2.897 270 T HA 0.257 4.616 4.350 0.014 0.000 0.278 270 T C 0.919 175.694 174.700 0.125 0.000 0.981 270 T CA -0.105 62.026 62.100 0.052 0.000 0.973 270 T CB 1.269 70.158 68.868 0.034 0.000 1.092 270 T HN 0.847 nan 8.240 nan 0.000 0.543 271 D N 0.134 120.615 120.400 0.135 0.000 2.162 271 D HA -0.069 4.580 4.640 0.014 0.000 0.203 271 D C 1.660 178.051 176.300 0.150 0.000 0.967 271 D CA 1.091 55.192 54.000 0.169 0.000 0.840 271 D CB -0.227 40.630 40.800 0.094 0.000 0.972 271 D HN 0.848 nan 8.370 nan 0.000 0.482 272 E N 0.609 120.868 120.200 0.097 0.000 2.285 272 E HA -0.114 4.245 4.350 0.014 0.000 0.194 272 E C 1.795 178.443 176.600 0.079 0.000 0.997 272 E CA 0.573 57.021 56.400 0.080 0.000 0.845 272 E CB -0.290 29.441 29.700 0.052 0.000 0.782 272 E HN 0.323 nan 8.360 nan 0.000 0.491 273 E N 0.218 120.460 120.200 0.070 0.000 2.371 273 E HA -0.108 4.251 4.350 0.014 0.000 0.194 273 E C 1.644 178.279 176.600 0.059 0.000 1.012 273 E CA 0.188 56.611 56.400 0.038 0.000 0.860 273 E CB 0.149 29.856 29.700 0.013 0.000 0.811 273 E HN 0.393 nan 8.360 nan 0.000 0.502 274 H N -0.450 118.693 119.070 0.122 0.000 2.395 274 H HA 0.016 4.580 4.556 0.014 0.000 0.299 274 H C 1.965 177.361 175.328 0.114 0.000 1.070 274 H CA 1.217 57.358 56.048 0.155 0.000 1.356 274 H CB 0.143 29.952 29.762 0.078 0.000 1.401 274 H HN 0.215 nan 8.280 nan 0.000 0.524 275 A N 1.137 124.062 122.820 0.176 0.000 1.978 275 A HA -0.126 4.203 4.320 0.014 0.000 0.220 275 A C 2.645 180.251 177.584 0.036 0.000 1.170 275 A CA 0.926 53.019 52.037 0.094 0.000 0.636 275 A CB -0.827 18.230 19.000 0.095 0.000 0.810 275 A HN 0.292 nan 8.150 nan 0.000 0.448 276 L N -2.228 118.973 121.223 -0.037 0.000 2.042 276 L HA -0.228 4.121 4.340 0.014 0.000 0.210 276 L C 2.431 179.180 176.870 -0.201 0.000 1.076 276 L CA 1.523 56.267 54.840 -0.161 0.000 0.749 276 L CB -0.713 41.168 42.059 -0.297 0.000 0.893 276 L HN 0.501 nan 8.230 nan 0.000 0.432 277 Y N 0.305 120.566 120.300 -0.065 0.000 2.509 277 Y HA -0.169 4.390 4.550 0.014 0.000 0.293 277 Y C 2.427 178.246 175.900 -0.136 0.000 1.133 277 Y CA 0.742 58.752 58.100 -0.150 0.000 1.283 277 Y CB -0.397 37.930 38.460 -0.222 0.000 1.001 277 Y HN 0.395 nan 8.280 nan 0.000 0.555 278 D N -1.243 119.114 120.400 -0.072 0.000 2.194 278 D HA -0.139 4.509 4.640 0.014 0.000 0.204 278 D C 1.186 177.342 176.300 -0.240 0.000 0.964 278 D CA 1.150 55.030 54.000 -0.200 0.000 0.846 278 D CB -0.524 40.087 40.800 -0.316 0.000 0.962 278 D HN 0.478 nan 8.370 nan 0.000 0.490 279 H N 0.447 119.537 119.070 0.034 0.000 2.551 279 H HA 0.140 4.705 4.556 0.014 0.000 0.266 279 H C 0.990 176.337 175.328 0.032 0.000 0.964 279 H CA -0.163 55.900 56.048 0.023 0.000 1.180 279 H CB 0.675 30.439 29.762 0.004 0.000 1.408 279 H HN 0.100 nan 8.280 nan 0.000 0.563 280 I N 2.516 123.156 120.570 0.116 0.000 2.741 280 I HA -0.129 4.049 4.170 0.014 0.000 0.288 280 I C 0.465 176.667 176.117 0.141 0.000 1.192 280 I CA 0.140 61.512 61.300 0.121 0.000 1.426 280 I CB -0.163 37.907 38.000 0.118 0.000 1.367 280 I HN 0.061 nan 8.210 nan 0.000 0.563 281 D N 6.755 127.237 120.400 0.137 0.000 2.374 281 D HA 0.300 4.948 4.640 0.014 0.000 0.240 281 D C -1.046 175.405 176.300 0.252 0.000 1.229 281 D CA 0.172 54.259 54.000 0.145 0.000 0.895 281 D CB 0.049 40.906 40.800 0.094 0.000 1.046 281 D HN 0.289 nan 8.370 nan 0.000 0.498 282 F N 3.350 123.320 119.950 0.033 0.000 2.689 282 F HA 0.222 4.758 4.527 0.014 0.000 0.332 282 F C -1.657 174.154 175.800 0.017 0.000 1.209 282 F CA -1.182 56.831 58.000 0.020 0.000 1.028 282 F CB 1.518 40.507 39.000 -0.020 0.000 1.291 282 F HN 0.059 nan 8.300 nan 0.000 0.500 283 D N 6.772 126.875 120.400 -0.494 0.000 2.467 283 D HA 0.237 4.885 4.640 0.014 0.000 0.220 283 D C 1.126 177.050 176.300 -0.626 0.000 1.103 283 D CA -0.140 53.612 54.000 -0.412 0.000 0.886 283 D CB 0.890 41.595 40.800 -0.158 0.000 1.025 283 D HN 0.712 nan 8.370 nan 0.000 0.514 284 M N 1.715 120.950 119.600 -0.609 0.000 2.144 284 M HA -0.171 4.317 4.480 0.014 0.000 0.260 284 M C 1.517 177.775 176.300 -0.070 0.000 1.067 284 M CA 1.324 56.423 55.300 -0.334 0.000 1.095 284 M CB 0.067 32.587 32.600 -0.133 0.000 1.365 284 M HN 0.399 nan 8.290 nan 0.000 0.406 285 E N 0.050 120.204 120.200 -0.078 0.000 2.077 285 E HA -0.213 4.146 4.350 0.014 0.000 0.193 285 E C 1.809 178.400 176.600 -0.014 0.000 0.989 285 E CA 1.277 57.660 56.400 -0.028 0.000 0.800 285 E CB -0.380 29.301 29.700 -0.032 0.000 0.746 285 E HN 0.475 nan 8.360 nan 0.000 0.452 286 E N 0.701 120.884 120.200 -0.028 0.000 2.047 286 E HA -0.145 4.214 4.350 0.014 0.000 0.191 286 E C 1.795 178.428 176.600 0.056 0.000 0.987 286 E CA 0.606 57.009 56.400 0.004 0.000 0.799 286 E CB -0.474 29.226 29.700 0.001 0.000 0.752 286 E HN 0.179 nan 8.360 nan 0.000 0.449 287 F N 0.805 120.698 119.950 -0.096 0.000 2.065 287 F HA -0.258 4.278 4.527 0.014 0.000 0.298 287 F C 2.042 177.855 175.800 0.021 0.000 1.112 287 F CA 2.137 60.138 58.000 0.002 0.000 1.212 287 F CB -0.826 38.180 39.000 0.010 0.000 0.975 287 F HN 0.100 nan 8.300 nan 0.000 0.476 288 A N -0.290 122.526 122.820 -0.007 0.000 1.930 288 A HA -0.193 4.136 4.320 0.014 0.000 0.217 288 A C 2.310 179.834 177.584 -0.100 0.000 1.175 288 A CA 1.682 53.659 52.037 -0.099 0.000 0.627 288 A CB -0.810 18.199 19.000 0.014 0.000 0.815 288 A HN 0.473 nan 8.150 nan 0.000 0.443 289 K N -0.521 119.846 120.400 -0.055 0.000 2.148 289 K HA -0.170 4.159 4.320 0.014 0.000 0.204 289 K C 1.045 177.606 176.600 -0.064 0.000 1.050 289 K CA 1.446 57.704 56.287 -0.049 0.000 0.942 289 K CB -0.144 32.340 32.500 -0.027 0.000 0.724 289 K HN 0.326 nan 8.250 nan 0.000 0.446 290 D N 0.049 120.404 120.400 -0.075 0.000 2.218 290 D HA -0.118 4.531 4.640 0.014 0.000 0.204 290 D C 1.438 177.670 176.300 -0.113 0.000 0.976 290 D CA 1.205 55.158 54.000 -0.078 0.000 0.853 290 D CB 0.315 41.080 40.800 -0.057 0.000 0.939 290 D HN 0.238 nan 8.370 nan 0.000 0.481 291 V N -4.065 115.754 119.914 -0.158 0.000 3.427 291 V HA 0.504 4.633 4.120 0.014 0.000 0.305 291 V C 1.210 177.238 176.094 -0.111 0.000 1.412 291 V CA 0.239 62.448 62.300 -0.153 0.000 1.086 291 V CB 0.047 31.741 31.823 -0.216 0.000 0.964 291 V HN 0.111 nan 8.190 nan 0.000 0.439 292 G N 0.462 109.208 108.800 -0.090 0.000 2.249 292 G HA2 -0.024 3.945 3.960 0.014 0.000 0.273 292 G HA3 -0.024 3.945 3.960 0.014 0.000 0.273 292 G C 0.230 175.094 174.900 -0.061 0.000 1.036 292 G CA 0.431 45.492 45.100 -0.065 0.000 0.824 292 G HN 1.696 nan 8.290 nan 0.000 0.504 293 A N -1.080 121.697 122.820 -0.072 0.000 2.324 293 A HA 0.849 5.178 4.320 0.014 0.000 0.330 293 A C 0.756 178.319 177.584 -0.036 0.000 1.165 293 A CA 0.186 52.189 52.037 -0.055 0.000 0.813 293 A CB 0.995 19.952 19.000 -0.071 0.000 1.197 293 A HN 0.340 nan 8.150 nan 0.000 0.484 294 E N 0.229 120.415 120.200 -0.023 0.000 2.330 294 E HA 0.095 4.454 4.350 0.014 0.000 0.200 294 E C -0.400 176.197 176.600 -0.005 0.000 0.922 294 E CA 0.647 57.039 56.400 -0.015 0.000 0.935 294 E CB 0.643 30.334 29.700 -0.015 0.000 0.917 294 E HN 0.611 nan 8.360 nan 0.000 0.491 295 T N 1.187 115.738 114.554 -0.004 0.000 2.841 295 T HA 0.423 4.781 4.350 0.014 0.000 0.285 295 T C -0.359 174.349 174.700 0.014 0.000 0.991 295 T CA -0.511 61.591 62.100 0.003 0.000 0.966 295 T CB 1.312 70.173 68.868 -0.011 0.000 0.962 295 T HN -0.048 nan 8.240 nan 0.000 0.438 296 L N 2.588 123.838 121.223 0.044 0.000 2.469 296 L HA 0.483 4.831 4.340 0.014 0.000 0.253 296 L C 1.704 178.588 176.870 0.023 0.000 1.143 296 L CA -0.787 54.101 54.840 0.080 0.000 0.804 296 L CB 0.518 42.688 42.059 0.186 0.000 1.214 296 L HN 0.542 nan 8.230 nan 0.000 0.476 297 L N -0.752 120.486 121.223 0.025 0.000 2.291 297 L HA -0.051 4.297 4.340 0.014 0.000 0.214 297 L C -0.124 176.471 176.870 -0.458 0.000 1.120 297 L CA 0.864 55.608 54.840 -0.160 0.000 0.799 297 L CB -0.082 41.921 42.059 -0.094 0.000 0.925 297 L HN 0.575 nan 8.230 nan 0.000 0.446 298 H N -3.201 115.851 119.070 -0.030 0.000 2.851 298 H HA 0.190 4.755 4.556 0.014 0.000 0.372 298 H C 0.628 175.960 175.328 0.006 0.000 1.158 298 H CA -0.107 55.918 56.048 -0.039 0.000 1.159 298 H CB 1.635 31.361 29.762 -0.059 0.000 1.757 298 H HN -0.170 nan 8.280 nan 0.000 0.546 299 S N -0.113 115.652 115.700 0.108 0.000 2.503 299 S HA 0.082 4.561 4.470 0.014 0.000 0.215 299 S C 0.794 175.433 174.600 0.064 0.000 1.003 299 S CA 0.060 58.298 58.200 0.064 0.000 0.910 299 S CB -0.134 63.083 63.200 0.027 0.000 0.790 299 S HN 0.635 nan 8.310 nan 0.000 0.514 300 C N 0.498 119.842 119.300 0.074 0.000 2.634 300 C HA 0.649 5.118 4.460 0.014 0.000 0.313 300 C C 1.414 176.425 174.990 0.034 0.000 1.198 300 C CA -0.932 58.112 59.018 0.044 0.000 1.605 300 C CB 1.491 29.245 27.740 0.024 0.000 2.196 300 C HN 0.405 nan 8.230 nan 0.000 0.486 301 K N 1.666 122.086 120.400 0.033 0.000 2.032 301 K HA -0.264 4.064 4.320 0.014 0.000 0.218 301 K C 2.157 178.719 176.600 -0.062 0.000 1.054 301 K CA 2.521 58.841 56.287 0.056 0.000 0.941 301 K CB -0.250 32.297 32.500 0.079 0.000 0.720 301 K HN 0.879 nan 8.250 nan 0.000 0.449 302 K N 0.243 120.575 120.400 -0.114 0.000 2.074 302 K HA -0.213 4.115 4.320 0.014 0.000 0.209 302 K C 1.539 177.888 176.600 -0.417 0.000 1.048 302 K CA 2.203 58.313 56.287 -0.295 0.000 0.926 302 K CB -0.051 32.338 32.500 -0.186 0.000 0.713 302 K HN 0.173 nan 8.250 nan 0.000 0.444 303 D N 0.566 120.840 120.400 -0.211 0.000 2.123 303 D HA -0.097 4.552 4.640 0.014 0.000 0.200 303 D C 2.000 178.165 176.300 -0.225 0.000 0.976 303 D CA 0.625 54.522 54.000 -0.171 0.000 0.831 303 D CB -0.050 40.720 40.800 -0.049 0.000 0.974 303 D HN 0.144 nan 8.370 nan 0.000 0.469 304 I N 1.101 121.579 120.570 -0.153 0.000 2.118 304 I HA -0.265 3.914 4.170 0.014 0.000 0.241 304 I C 2.492 178.456 176.117 -0.256 0.000 1.070 304 I CA 1.095 62.334 61.300 -0.101 0.000 1.327 304 I CB -0.928 37.111 38.000 0.067 0.000 1.034 304 I HN 0.076 nan 8.210 nan 0.000 0.405 305 L N -0.741 120.199 121.223 -0.471 0.000 2.056 305 L HA -0.211 4.137 4.340 0.014 0.000 0.207 305 L C 2.672 179.031 176.870 -0.853 0.000 1.078 305 L CA 1.173 55.504 54.840 -0.849 0.000 0.749 305 L CB -0.496 40.914 42.059 -1.082 0.000 0.901 305 L HN 0.202 nan 8.230 nan 0.000 0.433 306 M N -1.169 117.972 119.600 -0.766 0.000 2.213 306 M HA -0.192 4.296 4.480 0.014 0.000 0.263 306 M C 2.166 178.252 176.300 -0.357 0.000 1.062 306 M CA 1.460 56.376 55.300 -0.639 0.000 1.105 306 M CB -0.499 31.685 32.600 -0.694 0.000 1.385 306 M HN 0.301 nan 8.290 nan 0.000 0.417 307 H N -0.735 118.250 119.070 -0.143 0.000 2.529 307 H HA 0.055 4.619 4.556 0.014 0.000 0.277 307 H C 2.011 177.379 175.328 0.067 0.000 0.999 307 H CA 0.901 56.965 56.048 0.026 0.000 1.256 307 H CB 0.081 29.775 29.762 -0.114 0.000 1.402 307 H HN 0.401 nan 8.280 nan 0.000 0.566 308 R N -0.410 120.156 120.500 0.110 0.000 2.075 308 R HA -0.095 4.254 4.340 0.014 0.000 0.226 308 R C 1.632 178.134 176.300 0.336 0.000 1.114 308 R CA 1.129 57.363 56.100 0.223 0.000 0.972 308 R CB 0.130 30.571 30.300 0.235 0.000 0.869 308 R HN 0.259 nan 8.270 nan 0.000 0.437 309 W N 0.197 121.454 121.300 -0.071 0.000 2.640 309 W HA 0.101 4.770 4.660 0.014 0.000 0.271 309 W C 1.580 178.024 176.519 -0.124 0.000 1.218 309 W CA 0.287 57.576 57.345 -0.093 0.000 1.382 309 W CB 0.030 29.443 29.460 -0.078 0.000 1.067 309 W HN 0.073 nan 8.180 nan 0.000 0.590 310 R N -2.859 117.657 120.500 0.027 0.000 2.555 310 R HA 0.193 4.542 4.340 0.014 0.000 0.312 310 R C -0.652 175.421 176.300 -0.379 0.000 0.938 310 R CA 0.124 56.115 56.100 -0.181 0.000 1.112 310 R CB -0.853 29.306 30.300 -0.234 0.000 1.535 310 R HN -0.146 nan 8.270 nan 0.000 0.525 311 Y N 2.156 122.407 120.300 -0.081 0.000 2.446 311 Y HA 0.586 5.144 4.550 0.014 0.000 0.338 311 Y C -2.192 173.730 175.900 0.036 0.000 1.055 311 Y CA -3.272 54.782 58.100 -0.076 0.000 1.101 311 Y CB 1.214 39.529 38.460 -0.242 0.000 1.221 311 Y HN -0.085 nan 8.280 nan 0.000 0.460 312 P HA 0.145 nan 4.420 nan 0.000 0.271 312 P C -0.743 176.677 177.300 0.199 0.000 1.233 312 P CA -0.133 63.080 63.100 0.189 0.000 0.789 312 P CB 1.189 32.983 31.700 0.157 0.000 0.951 313 S N 0.597 116.402 115.700 0.175 0.000 2.618 313 S HA 0.756 5.234 4.470 0.014 0.000 0.277 313 S C -1.169 173.517 174.600 0.144 0.000 1.138 313 S CA -0.885 57.413 58.200 0.163 0.000 0.844 313 S CB 1.509 64.814 63.200 0.175 0.000 1.127 313 S HN 0.478 nan 8.310 nan 0.000 0.474 314 L N 1.085 122.376 121.223 0.113 0.000 2.470 314 L HA 0.731 5.080 4.340 0.014 0.000 0.268 314 L C -1.397 175.499 176.870 0.043 0.000 0.964 314 L CA -0.063 54.840 54.840 0.105 0.000 0.839 314 L CB 2.108 44.219 42.059 0.086 0.000 1.276 314 L HN 0.884 nan 8.230 nan 0.000 0.403 315 S N 5.082 120.778 115.700 -0.007 0.000 2.532 315 S HA 0.622 5.101 4.470 0.014 0.000 0.299 315 S C -0.714 173.654 174.600 -0.387 0.000 1.105 315 S CA -0.563 57.541 58.200 -0.160 0.000 1.018 315 S CB 1.718 64.849 63.200 -0.115 0.000 1.021 315 S HN 0.476 nan 8.310 nan 0.000 0.483 316 L N 4.132 125.192 121.223 -0.272 0.000 2.265 316 L HA 0.434 4.783 4.340 0.014 0.000 0.288 316 L C 0.959 177.697 176.870 -0.221 0.000 1.058 316 L CA -0.541 54.166 54.840 -0.222 0.000 0.809 316 L CB 0.420 42.419 42.059 -0.099 0.000 1.179 316 L HN 0.771 nan 8.230 nan 0.000 0.429 317 H N 2.274 121.382 119.070 0.064 0.000 2.476 317 H HA 0.370 4.935 4.556 0.014 0.000 0.292 317 H C 0.948 176.328 175.328 0.086 0.000 1.019 317 H CA 0.685 56.783 56.048 0.083 0.000 1.330 317 H CB 1.274 31.104 29.762 0.114 0.000 1.451 317 H HN 0.782 nan 8.280 nan 0.000 0.535 318 G N -0.008 108.899 108.800 0.178 0.000 2.343 318 G HA2 0.295 4.264 3.960 0.014 0.000 0.289 318 G HA3 0.295 4.264 3.960 0.014 0.000 0.289 318 G C -1.733 173.242 174.900 0.124 0.000 1.295 318 G CA -0.797 44.383 45.100 0.133 0.000 0.869 318 G HN 0.047 nan 8.290 nan 0.000 0.522 319 I N 0.675 121.310 120.570 0.108 0.000 2.498 319 I HA 0.440 4.619 4.170 0.014 0.000 0.290 319 I C -0.137 176.048 176.117 0.113 0.000 1.032 319 I CA -0.596 60.770 61.300 0.110 0.000 1.073 319 I CB 2.244 40.298 38.000 0.090 0.000 1.251 319 I HN 0.608 nan 8.210 nan 0.000 0.426 320 E N 4.290 124.569 120.200 0.132 0.000 2.216 320 E HA 0.511 4.869 4.350 0.014 0.000 0.279 320 E C 0.730 177.397 176.600 0.111 0.000 0.997 320 E CA 0.183 56.658 56.400 0.126 0.000 0.817 320 E CB 1.309 31.101 29.700 0.154 0.000 1.096 320 E HN 0.870 nan 8.360 nan 0.000 0.393 321 G N 2.433 111.292 108.800 0.099 0.000 2.213 321 G HA2 -0.238 3.731 3.960 0.014 0.000 0.226 321 G HA3 -0.238 3.731 3.960 0.014 0.000 0.226 321 G C 0.280 175.238 174.900 0.097 0.000 0.992 321 G CA 0.104 45.259 45.100 0.091 0.000 0.632 321 G HN 0.819 nan 8.290 nan 0.000 0.511 322 A N -0.291 122.593 122.820 0.107 0.000 2.717 322 A HA 0.825 5.153 4.320 0.014 0.000 0.262 322 A C -0.198 177.497 177.584 0.184 0.000 1.483 322 A CA -0.170 51.946 52.037 0.132 0.000 0.889 322 A CB 0.391 19.463 19.000 0.120 0.000 1.604 322 A HN 1.283 nan 8.150 nan 0.000 0.523 323 F N 1.288 121.259 119.950 0.035 0.000 2.375 323 F HA 0.441 4.976 4.527 0.014 0.000 0.362 323 F C 0.956 176.778 175.800 0.036 0.000 1.129 323 F CA -0.447 57.571 58.000 0.030 0.000 1.154 323 F CB 1.066 40.077 39.000 0.020 0.000 1.205 323 F HN 0.284 nan 8.300 nan 0.000 0.513 324 S N 2.759 118.237 115.700 -0.371 0.000 2.603 324 S HA 0.398 4.877 4.470 0.014 0.000 0.232 324 S C 0.824 175.140 174.600 -0.474 0.000 1.016 324 S CA -0.045 57.929 58.200 -0.376 0.000 0.976 324 S CB -0.264 62.864 63.200 -0.119 0.000 0.921 324 S HN 0.725 nan 8.310 nan 0.000 0.516 325 G N 1.252 109.603 108.800 -0.749 0.000 2.588 325 G HA2 0.466 4.435 3.960 0.014 0.000 0.281 325 G HA3 0.466 4.435 3.960 0.014 0.000 0.281 325 G C -0.429 174.224 174.900 -0.411 0.000 1.236 325 G CA -0.528 44.341 45.100 -0.385 0.000 0.969 325 G HN 0.305 nan 8.290 nan 0.000 0.504 326 S N -0.880 114.770 115.700 -0.084 0.000 2.564 326 S HA 0.536 5.015 4.470 0.014 0.000 0.278 326 S C 0.925 175.633 174.600 0.180 0.000 1.333 326 S CA 1.092 59.299 58.200 0.012 0.000 1.048 326 S CB -0.115 63.108 63.200 0.038 0.000 0.900 326 S HN 2.201 nan 8.310 nan 0.000 0.505 327 G N 2.787 111.696 108.800 0.182 0.000 2.466 327 G HA2 0.252 4.221 3.960 0.014 0.000 0.218 327 G HA3 0.252 4.221 3.960 0.014 0.000 0.218 327 G C -0.336 174.787 174.900 0.371 0.000 1.237 327 G CA -0.196 45.046 45.100 0.237 0.000 0.954 327 G HN 1.684 nan 8.290 nan 0.000 0.580 328 A N -0.027 122.923 122.820 0.217 0.000 2.356 328 A HA 0.833 5.162 4.320 0.014 0.000 0.310 328 A C -0.258 177.130 177.584 -0.327 0.000 1.075 328 A CA 0.286 52.356 52.037 0.054 0.000 0.746 328 A CB 1.678 20.689 19.000 0.019 0.000 1.221 328 A HN 0.954 nan 8.150 nan 0.000 0.443 329 K N 1.648 121.631 120.400 -0.696 0.000 2.471 329 K HA 0.469 4.798 4.320 0.014 0.000 0.252 329 K C -0.577 175.771 176.600 -0.420 0.000 0.938 329 K CA -0.294 55.521 56.287 -0.788 0.000 0.796 329 K CB 1.436 33.034 32.500 -1.504 0.000 1.161 329 K HN 0.701 nan 8.250 nan 0.000 0.425 330 T N 0.404 114.770 114.554 -0.314 0.000 3.629 330 T HA 0.240 4.599 4.350 0.014 0.000 0.317 330 T C -0.270 174.271 174.700 -0.265 0.000 1.690 330 T CA -0.600 61.348 62.100 -0.254 0.000 1.276 330 T CB -0.010 68.692 68.868 -0.276 0.000 1.205 330 T HN 0.180 nan 8.240 nan 0.000 0.824 331 V N 2.777 122.589 119.914 -0.171 0.000 2.735 331 V HA 0.596 4.725 4.120 0.014 0.000 0.310 331 V C -0.834 175.246 176.094 -0.023 0.000 1.061 331 V CA -1.530 60.710 62.300 -0.099 0.000 0.913 331 V CB 1.805 33.575 31.823 -0.088 0.000 1.005 331 V HN 0.747 nan 8.190 nan 0.000 0.428 332 I N 8.263 128.835 120.570 0.003 0.000 2.287 332 I HA 0.349 4.527 4.170 0.014 0.000 0.290 332 I C -2.241 173.887 176.117 0.019 0.000 1.069 332 I CA -1.865 59.449 61.300 0.025 0.000 1.237 332 I CB 1.485 39.505 38.000 0.033 0.000 1.418 332 I HN 0.490 nan 8.210 nan 0.000 0.481 333 P HA 0.016 nan 4.420 nan 0.000 0.264 333 P C 0.480 177.802 177.300 0.037 0.000 1.193 333 P CA -0.179 62.950 63.100 0.048 0.000 0.763 333 P CB 0.499 32.243 31.700 0.074 0.000 0.810 334 R N 3.558 124.073 120.500 0.026 0.000 2.115 334 R HA 0.003 4.352 4.340 0.014 0.000 0.230 334 R C 0.365 176.689 176.300 0.041 0.000 1.111 334 R CA 1.105 57.216 56.100 0.019 0.000 0.976 334 R CB 0.025 30.328 30.300 0.005 0.000 0.870 334 R HN 0.328 nan 8.270 nan 0.000 0.445 335 K N 1.047 121.478 120.400 0.052 0.000 2.616 335 K HA 0.229 4.557 4.320 0.014 0.000 0.255 335 K C -1.597 175.048 176.600 0.074 0.000 0.995 335 K CA -0.689 55.634 56.287 0.061 0.000 0.860 335 K CB 2.243 34.773 32.500 0.050 0.000 1.264 335 K HN 0.088 nan 8.250 nan 0.000 0.451 336 V N 0.228 120.193 119.914 0.086 0.000 2.769 336 V HA 0.763 4.891 4.120 0.014 0.000 0.312 336 V C -0.841 175.318 176.094 0.109 0.000 1.061 336 V CA -0.841 61.517 62.300 0.098 0.000 0.931 336 V CB 1.893 33.775 31.823 0.098 0.000 1.010 336 V HN 0.357 nan 8.190 nan 0.000 0.433 337 V N 2.774 122.765 119.914 0.128 0.000 2.380 337 V HA 0.717 4.846 4.120 0.014 0.000 0.286 337 V C 0.886 177.077 176.094 0.163 0.000 1.015 337 V CA 0.113 62.508 62.300 0.157 0.000 0.834 337 V CB 1.125 33.071 31.823 0.205 0.000 1.009 337 V HN 1.279 nan 8.190 nan 0.000 0.428 338 G N 4.043 112.931 108.800 0.146 0.000 2.467 338 G HA2 0.526 4.495 3.960 0.014 0.000 0.257 338 G HA3 0.526 4.495 3.960 0.014 0.000 0.257 338 G C -0.454 174.531 174.900 0.141 0.000 1.227 338 G CA -0.408 44.776 45.100 0.141 0.000 0.835 338 G HN 0.485 nan 8.290 nan 0.000 0.556 339 K N 1.065 121.538 120.400 0.122 0.000 2.463 339 K HA 0.469 4.798 4.320 0.014 0.000 0.255 339 K C -1.084 175.523 176.600 0.012 0.000 0.942 339 K CA -0.502 55.784 56.287 -0.003 0.000 0.814 339 K CB 2.084 34.665 32.500 0.135 0.000 1.122 339 K HN 0.600 nan 8.250 nan 0.000 0.425 340 F N -1.191 118.507 119.950 -0.419 0.000 2.686 340 F HA 0.683 5.218 4.527 0.013 0.000 0.311 340 F C -0.880 174.627 175.800 -0.487 0.000 1.128 340 F CA -0.915 56.829 58.000 -0.427 0.000 0.946 340 F CB 1.691 40.536 39.000 -0.259 0.000 1.336 340 F HN 0.399 nan 8.300 nan 0.000 0.457 341 S N 1.408 116.947 115.700 -0.268 0.000 2.564 341 S HA 0.831 5.310 4.470 0.014 0.000 0.274 341 S C -1.392 173.299 174.600 0.151 0.000 1.124 341 S CA -0.789 57.324 58.200 -0.145 0.000 0.869 341 S CB 1.778 64.987 63.200 0.015 0.000 1.105 341 S HN 0.790 nan 8.310 nan 0.000 0.472 342 I N 2.003 122.697 120.570 0.206 0.000 2.378 342 I HA 0.457 4.635 4.170 0.014 0.000 0.291 342 I C 0.024 176.254 176.117 0.189 0.000 0.992 342 I CA -0.926 60.514 61.300 0.235 0.000 1.154 342 I CB 1.453 39.633 38.000 0.299 0.000 1.315 342 I HN 0.420 nan 8.210 nan 0.000 0.448 343 R N 5.614 126.219 120.500 0.175 0.000 2.248 343 R HA 0.386 4.734 4.340 0.014 0.000 0.328 343 R C -0.767 175.622 176.300 0.147 0.000 1.067 343 R CA -0.856 55.339 56.100 0.158 0.000 0.924 343 R CB 0.495 30.890 30.300 0.159 0.000 1.013 343 R HN 0.377 nan 8.270 nan 0.000 0.454 344 L N 3.386 124.689 121.223 0.133 0.000 2.371 344 L HA 0.283 4.632 4.340 0.014 0.000 0.272 344 L C 0.493 177.424 176.870 0.103 0.000 1.124 344 L CA -0.206 54.707 54.840 0.120 0.000 0.816 344 L CB 1.264 43.390 42.059 0.113 0.000 1.129 344 L HN 0.369 nan 8.230 nan 0.000 0.448 345 V N 0.761 120.730 119.914 0.090 0.000 3.103 345 V HA 0.729 4.858 4.120 0.014 0.000 0.318 345 V C -2.566 173.557 176.094 0.048 0.000 1.114 345 V CA -2.842 59.495 62.300 0.060 0.000 1.020 345 V CB 1.410 33.258 31.823 0.040 0.000 1.085 345 V HN 0.572 nan 8.190 nan 0.000 0.446 346 P HA 0.157 nan 4.420 nan 0.000 0.263 346 P C -0.398 176.919 177.300 0.028 0.000 1.168 346 P CA 1.296 64.408 63.100 0.020 0.000 0.759 346 P CB 0.108 31.805 31.700 -0.006 0.000 0.782 347 D N -0.741 119.680 120.400 0.035 0.000 2.034 347 D HA -0.151 4.498 4.640 0.014 0.000 0.191 347 D C 0.238 176.568 176.300 0.051 0.000 1.386 347 D CA 1.082 55.106 54.000 0.039 0.000 1.458 347 D CB -1.751 39.069 40.800 0.033 0.000 1.379 347 D HN 0.378 nan 8.370 nan 0.000 0.579 348 M N 1.262 120.899 119.600 0.061 0.000 2.248 348 M HA 0.220 4.709 4.480 0.014 0.000 0.345 348 M C 0.442 176.787 176.300 0.075 0.000 1.243 348 M CA 0.891 56.235 55.300 0.073 0.000 1.090 348 M CB 0.591 33.243 32.600 0.087 0.000 1.683 348 M HN 0.007 nan 8.290 nan 0.000 0.450 349 I N 4.503 125.120 120.570 0.077 0.000 2.433 349 I HA 0.258 4.436 4.170 0.014 0.000 0.292 349 I C -1.768 174.403 176.117 0.089 0.000 1.001 349 I CA -2.079 59.266 61.300 0.075 0.000 1.119 349 I CB 1.988 40.026 38.000 0.063 0.000 1.289 349 I HN 0.435 nan 8.210 nan 0.000 0.438 350 P HA -0.214 nan 4.420 nan 0.000 0.214 350 P C 1.072 178.436 177.300 0.106 0.000 1.169 350 P CA 1.473 64.627 63.100 0.090 0.000 0.908 350 P CB 0.199 31.936 31.700 0.061 0.000 0.791 351 E N -0.737 119.514 120.200 0.086 0.000 2.153 351 E HA -0.089 4.269 4.350 0.014 0.000 0.194 351 E C 2.078 178.741 176.600 0.105 0.000 0.988 351 E CA 0.894 57.348 56.400 0.090 0.000 0.811 351 E CB -0.842 28.897 29.700 0.065 0.000 0.746 351 E HN 0.146 nan 8.360 nan 0.000 0.466 352 V N 0.940 120.912 119.914 0.098 0.000 2.323 352 V HA -0.173 3.956 4.120 0.014 0.000 0.244 352 V C 2.551 178.717 176.094 0.121 0.000 1.041 352 V CA 1.034 63.391 62.300 0.096 0.000 1.025 352 V CB -0.408 31.461 31.823 0.077 0.000 0.656 352 V HN 0.050 nan 8.190 nan 0.000 0.451 353 V N -0.272 119.729 119.914 0.145 0.000 2.332 353 V HA -0.274 3.854 4.120 0.014 0.000 0.248 353 V C 2.680 178.930 176.094 0.261 0.000 1.055 353 V CA 2.380 64.792 62.300 0.188 0.000 1.038 353 V CB -0.729 31.226 31.823 0.220 0.000 0.651 353 V HN 0.606 nan 8.190 nan 0.000 0.450 354 S N -0.523 115.364 115.700 0.312 0.000 2.359 354 S HA -0.264 4.215 4.470 0.014 0.000 0.224 354 S C 1.965 176.720 174.600 0.259 0.000 1.035 354 S CA 2.118 60.554 58.200 0.395 0.000 1.018 354 S CB -0.233 63.136 63.200 0.282 0.000 0.876 354 S HN 0.737 nan 8.310 nan 0.000 0.448 355 E N 0.499 120.806 120.200 0.179 0.000 2.058 355 E HA -0.200 4.159 4.350 0.014 0.000 0.194 355 E C 2.437 179.112 176.600 0.126 0.000 0.997 355 E CA 1.538 58.021 56.400 0.138 0.000 0.801 355 E CB -0.213 29.552 29.700 0.108 0.000 0.746 355 E HN 0.646 nan 8.360 nan 0.000 0.450 356 Q N 0.150 120.018 119.800 0.113 0.000 2.170 356 Q HA -0.140 4.209 4.340 0.014 0.000 0.203 356 Q C 2.266 178.321 176.000 0.092 0.000 0.976 356 Q CA 1.074 56.931 55.803 0.090 0.000 0.858 356 Q CB 0.047 28.822 28.738 0.063 0.000 0.907 356 Q HN 0.156 nan 8.270 nan 0.000 0.433 357 V N 0.019 119.970 119.914 0.063 0.000 2.346 357 V HA -0.211 3.918 4.120 0.014 0.000 0.244 357 V C 2.131 178.288 176.094 0.105 0.000 1.037 357 V CA 1.716 64.015 62.300 -0.002 0.000 1.029 357 V CB -0.360 31.217 31.823 -0.410 0.000 0.663 357 V HN 0.287 nan 8.190 nan 0.000 0.454 358 S N 0.288 116.068 115.700 0.133 0.000 2.365 358 S HA -0.246 4.233 4.470 0.014 0.000 0.225 358 S C 2.217 176.927 174.600 0.184 0.000 1.039 358 S CA 2.021 60.327 58.200 0.177 0.000 1.033 358 S CB -0.387 62.915 63.200 0.170 0.000 0.887 358 S HN 0.599 nan 8.310 nan 0.000 0.447 359 S N 0.148 115.945 115.700 0.161 0.000 2.356 359 S HA -0.099 4.379 4.470 0.014 0.000 0.223 359 S C 1.675 176.376 174.600 0.169 0.000 1.032 359 S CA 1.271 59.561 58.200 0.149 0.000 1.005 359 S CB -0.475 62.803 63.200 0.131 0.000 0.867 359 S HN 0.621 nan 8.310 nan 0.000 0.449 360 Y N 1.993 122.319 120.300 0.043 0.000 2.200 360 Y HA 0.014 4.574 4.550 0.016 0.000 0.290 360 Y C 1.806 177.724 175.900 0.030 0.000 1.137 360 Y CA 1.142 59.254 58.100 0.019 0.000 1.163 360 Y CB -0.346 38.109 38.460 -0.008 0.000 0.988 360 Y HN 0.150 nan 8.280 nan 0.000 0.518 361 L N -1.556 119.684 121.223 0.029 0.000 2.162 361 L HA -0.112 4.237 4.340 0.014 0.000 0.205 361 L C 2.399 179.270 176.870 0.002 0.000 1.086 361 L CA 1.045 55.879 54.840 -0.009 0.000 0.778 361 L CB -0.652 41.533 42.059 0.210 0.000 0.928 361 L HN 0.020 nan 8.230 nan 0.000 0.446 362 S N -0.095 115.699 115.700 0.157 0.000 2.419 362 S HA -0.219 4.260 4.470 0.014 0.000 0.235 362 S C 1.931 176.522 174.600 -0.015 0.000 1.019 362 S CA 1.484 59.759 58.200 0.126 0.000 0.982 362 S CB -0.088 63.247 63.200 0.225 0.000 0.789 362 S HN 0.348 nan 8.310 nan 0.000 0.490 363 K N 0.473 120.843 120.400 -0.050 0.000 2.276 363 K HA 0.121 4.450 4.320 0.014 0.000 0.198 363 K C 1.678 178.178 176.600 -0.166 0.000 1.052 363 K CA 0.348 56.589 56.287 -0.078 0.000 0.984 363 K CB 0.100 32.584 32.500 -0.027 0.000 0.836 363 K HN -0.061 nan 8.250 nan 0.000 0.490 364 K N 0.351 120.588 120.400 -0.271 0.000 2.217 364 K HA -0.091 4.237 4.320 0.014 0.000 0.202 364 K C 1.786 178.250 176.600 -0.225 0.000 1.051 364 K CA 0.816 56.917 56.287 -0.310 0.000 0.952 364 K CB -0.249 31.952 32.500 -0.498 0.000 0.736 364 K HN 0.162 nan 8.250 nan 0.000 0.453 365 F N 1.644 121.333 119.950 -0.434 0.000 2.128 365 F HA -0.061 4.472 4.527 0.009 0.000 0.295 365 F C 2.101 177.697 175.800 -0.340 0.000 1.100 365 F CA 1.134 58.832 58.000 -0.503 0.000 1.260 365 F CB -0.447 37.918 39.000 -1.058 0.000 1.009 365 F HN -0.017 nan 8.300 nan 0.000 0.476 366 A N 0.292 122.912 122.820 -0.333 0.000 1.917 366 A HA -0.261 4.068 4.320 0.014 0.000 0.219 366 A C 2.114 179.520 177.584 -0.297 0.000 1.182 366 A CA 2.017 53.868 52.037 -0.310 0.000 0.633 366 A CB -1.066 17.852 19.000 -0.137 0.000 0.819 366 A HN 0.570 nan 8.150 nan 0.000 0.448 367 E N -0.564 119.494 120.200 -0.236 0.000 2.273 367 E HA -0.161 4.198 4.350 0.014 0.000 0.198 367 E C 1.656 178.125 176.600 -0.218 0.000 1.002 367 E CA 0.870 57.156 56.400 -0.190 0.000 0.828 367 E CB -0.251 29.357 29.700 -0.153 0.000 0.747 367 E HN 0.677 nan 8.360 nan 0.000 0.491 368 L N -0.172 120.855 121.223 -0.326 0.000 2.341 368 L HA -0.044 4.305 4.340 0.014 0.000 0.214 368 L C 0.332 177.022 176.870 -0.300 0.000 1.115 368 L CA 0.298 54.958 54.840 -0.300 0.000 0.820 368 L CB -0.007 41.845 42.059 -0.346 0.000 0.944 368 L HN 0.071 nan 8.230 nan 0.000 0.452 369 Q N 0.347 119.921 119.800 -0.376 0.000 2.459 369 Q HA -0.175 4.173 4.340 0.014 0.000 0.314 369 Q C -0.043 175.725 176.000 -0.387 0.000 1.432 369 Q CA 0.512 56.133 55.803 -0.304 0.000 0.823 369 Q CB -1.553 27.086 28.738 -0.166 0.000 1.124 369 Q HN 0.373 nan 8.270 nan 0.000 0.392 370 S N 0.083 115.455 115.700 -0.546 0.000 2.513 370 S HA 0.697 5.176 4.470 0.014 0.000 0.299 370 S C -1.829 172.532 174.600 -0.398 0.000 1.087 370 S CA -1.372 56.480 58.200 -0.580 0.000 1.012 370 S CB 1.411 64.369 63.200 -0.403 0.000 1.044 370 S HN 0.144 nan 8.310 nan 0.000 0.485 371 P HA 0.155 nan 4.420 nan 0.000 0.249 371 P C -0.503 176.843 177.300 0.077 0.000 1.229 371 P CA -0.104 62.945 63.100 -0.085 0.000 0.788 371 P CB -0.205 31.455 31.700 -0.067 0.000 1.072 372 N N 1.556 120.360 118.700 0.173 0.000 2.518 372 N HA 0.075 4.823 4.740 0.014 0.000 0.266 372 N C 0.304 175.997 175.510 0.305 0.000 1.196 372 N CA 0.080 53.282 53.050 0.253 0.000 0.947 372 N CB 0.639 39.293 38.487 0.279 0.000 1.098 372 N HN 0.080 nan 8.380 nan 0.000 0.450 373 K N 1.162 121.665 120.400 0.172 0.000 2.484 373 K HA 0.064 4.393 4.320 0.014 0.000 0.280 373 K C -0.489 176.149 176.600 0.064 0.000 1.013 373 K CA 0.514 56.873 56.287 0.119 0.000 1.029 373 K CB 0.284 32.825 32.500 0.067 0.000 0.902 373 K HN 0.467 nan 8.250 nan 0.000 0.481 374 F N 3.515 123.330 119.950 -0.224 0.000 2.574 374 F HA 0.372 4.905 4.527 0.011 0.000 0.313 374 F C -1.319 174.344 175.800 -0.229 0.000 1.130 374 F CA -0.711 57.019 58.000 -0.451 0.000 0.936 374 F CB 1.318 39.495 39.000 -1.372 0.000 1.219 374 F HN 0.468 nan 8.300 nan 0.000 0.445 375 K N 5.029 124.835 120.400 -0.990 0.000 2.512 375 K HA 0.805 5.133 4.320 0.014 0.000 0.263 375 K C -2.431 173.672 176.600 -0.829 0.000 0.966 375 K CA -1.099 54.659 56.287 -0.882 0.000 0.851 375 K CB 2.432 34.782 32.500 -0.251 0.000 1.395 375 K HN 0.592 nan 8.250 nan 0.000 0.440 376 V N 2.446 122.080 119.914 -0.465 0.000 2.735 376 V HA 0.754 4.883 4.120 0.014 0.000 0.310 376 V C -1.989 174.208 176.094 0.172 0.000 1.061 376 V CA -0.345 61.882 62.300 -0.122 0.000 0.913 376 V CB 1.434 33.245 31.823 -0.021 0.000 1.005 376 V HN 0.881 nan 8.190 nan 0.000 0.428 377 Y N 3.115 123.522 120.300 0.179 0.000 2.670 377 Y HA 0.724 5.282 4.550 0.014 0.000 0.334 377 Y C -0.893 175.196 175.900 0.314 0.000 1.185 377 Y CA -1.353 56.864 58.100 0.195 0.000 1.053 377 Y CB 1.794 40.289 38.460 0.059 0.000 1.298 377 Y HN 0.719 nan 8.280 nan 0.000 0.459 378 M N 1.901 121.683 119.600 0.303 0.000 2.404 378 M HA 0.672 5.161 4.480 0.014 0.000 0.338 378 M C 0.009 176.411 176.300 0.170 0.000 1.150 378 M CA -0.211 55.094 55.300 0.010 0.000 1.016 378 M CB 1.986 34.472 32.600 -0.191 0.000 1.672 378 M HN 1.118 nan 8.290 nan 0.000 0.448 379 G N 1.435 110.339 108.800 0.172 0.000 2.766 379 G HA2 0.195 4.163 3.960 0.014 0.000 0.206 379 G HA3 0.195 4.163 3.960 0.014 0.000 0.206 379 G C -0.515 174.396 174.900 0.018 0.000 2.072 379 G CA -0.290 44.893 45.100 0.139 0.000 0.798 379 G HN 0.807 nan 8.290 nan 0.000 0.703 380 H N 0.178 119.272 119.070 0.040 0.000 3.034 380 H HA 0.401 4.967 4.556 0.015 0.000 0.324 380 H C 0.386 175.678 175.328 -0.059 0.000 1.015 380 H CA 0.264 56.304 56.048 -0.013 0.000 1.429 380 H CB 0.791 30.547 29.762 -0.010 0.000 1.429 380 H HN 0.492 nan 8.280 nan 0.000 0.585 381 G N 2.384 111.240 108.800 0.093 0.000 3.329 381 G HA2 0.441 4.410 3.960 0.014 0.000 0.313 381 G HA3 0.441 4.410 3.960 0.014 0.000 0.313 381 G C -0.201 174.724 174.900 0.042 0.000 1.611 381 G CA -0.406 44.712 45.100 0.030 0.000 0.991 381 G HN 0.815 nan 8.290 nan 0.000 0.508 382 G N 0.871 109.699 108.800 0.047 0.000 2.389 382 G HA2 0.594 4.563 3.960 0.014 0.000 0.328 382 G HA3 0.594 4.563 3.960 0.014 0.000 0.328 382 G C -0.234 174.700 174.900 0.057 0.000 1.133 382 G CA -0.740 44.382 45.100 0.037 0.000 0.891 382 G HN 0.465 nan 8.290 nan 0.000 0.485 383 K N 2.262 122.698 120.400 0.061 0.000 2.144 383 K HA 0.353 4.681 4.320 0.014 0.000 0.270 383 K C -2.002 174.663 176.600 0.108 0.000 1.005 383 K CA -1.305 55.031 56.287 0.082 0.000 0.932 383 K CB 1.341 33.890 32.500 0.082 0.000 1.021 383 K HN 0.316 nan 8.250 nan 0.000 0.462 384 P HA 0.006 nan 4.420 nan 0.000 0.272 384 P C -1.244 176.190 177.300 0.223 0.000 1.254 384 P CA -0.229 62.957 63.100 0.143 0.000 0.795 384 P CB 0.390 32.145 31.700 0.093 0.000 1.022 385 W N 0.690 121.993 121.300 0.005 0.000 3.259 385 W HA 0.498 5.167 4.660 0.014 0.000 0.331 385 W C -2.383 174.142 176.519 0.009 0.000 1.144 385 W CA -0.535 56.818 57.345 0.013 0.000 1.227 385 W CB 1.292 30.761 29.460 0.015 0.000 1.371 385 W HN 0.123 nan 8.180 nan 0.000 0.491 386 V N 5.094 124.591 119.914 -0.695 0.000 2.638 386 V HA 0.602 4.731 4.120 0.014 0.000 0.306 386 V C -0.292 175.328 176.094 -0.790 0.000 1.052 386 V CA -0.764 61.075 62.300 -0.767 0.000 0.885 386 V CB 1.291 32.942 31.823 -0.287 0.000 0.999 386 V HN 0.578 nan 8.190 nan 0.000 0.424 387 S N 1.680 116.934 115.700 -0.743 0.000 2.681 387 S HA 0.482 4.961 4.470 0.014 0.000 0.299 387 S C -0.818 173.678 174.600 -0.172 0.000 1.113 387 S CA -0.525 57.527 58.200 -0.248 0.000 1.013 387 S CB 1.621 64.876 63.200 0.093 0.000 1.076 387 S HN 0.904 nan 8.310 nan 0.000 0.534 388 D N 2.094 122.405 120.400 -0.148 0.000 2.365 388 D HA 0.189 4.837 4.640 0.014 0.000 0.237 388 D C 0.802 176.798 176.300 -0.506 0.000 1.190 388 D CA -0.666 53.147 54.000 -0.313 0.000 0.867 388 D CB -0.076 40.627 40.800 -0.162 0.000 1.050 388 D HN 0.473 nan 8.370 nan 0.000 0.491 389 F N 2.084 121.602 119.950 -0.720 0.000 2.802 389 F HA 0.226 4.762 4.527 0.014 0.000 0.300 389 F C 0.738 176.221 175.800 -0.529 0.000 1.168 389 F CA -0.191 57.126 58.000 -1.139 0.000 1.433 389 F CB -0.799 37.508 39.000 -1.155 0.000 1.115 389 F HN 0.204 nan 8.300 nan 0.000 0.582 390 N N -0.956 117.445 118.700 -0.499 0.000 2.322 390 N HA -0.080 4.669 4.740 0.014 0.000 0.194 390 N C 0.331 175.819 175.510 -0.036 0.000 1.126 390 N CA -0.135 52.787 53.050 -0.214 0.000 0.845 390 N CB -0.187 38.108 38.487 -0.320 0.000 0.976 390 N HN 0.268 nan 8.380 nan 0.000 0.475 391 H N 1.708 120.753 119.070 -0.043 0.000 2.707 391 H HA 0.055 4.619 4.556 0.014 0.000 0.359 391 H C -1.483 173.967 175.328 0.204 0.000 1.113 391 H CA -1.270 54.847 56.048 0.115 0.000 1.422 391 H CB 1.329 31.225 29.762 0.223 0.000 1.443 391 H HN 0.030 nan 8.280 nan 0.000 0.591 392 P HA -0.176 nan 4.420 nan 0.000 0.219 392 P C 1.440 178.961 177.300 0.368 0.000 1.146 392 P CA 1.328 64.547 63.100 0.198 0.000 0.808 392 P CB -0.104 31.639 31.700 0.071 0.000 0.779 393 H N -1.073 118.324 119.070 0.545 0.000 2.321 393 H HA -0.217 4.347 4.556 0.014 0.000 0.295 393 H C 1.621 177.053 175.328 0.172 0.000 1.102 393 H CA 1.401 57.588 56.048 0.231 0.000 1.266 393 H CB -0.296 29.618 29.762 0.254 0.000 1.363 393 H HN 0.084 nan 8.280 nan 0.000 0.492 394 Y N 0.603 120.996 120.300 0.155 0.000 2.497 394 Y HA -0.168 4.390 4.550 0.014 0.000 0.292 394 Y C 2.637 178.568 175.900 0.053 0.000 1.137 394 Y CA 0.765 58.898 58.100 0.054 0.000 1.285 394 Y CB 0.013 38.543 38.460 0.115 0.000 0.991 394 Y HN 0.310 nan 8.280 nan 0.000 0.556 395 Q N -0.521 119.397 119.800 0.197 0.000 2.123 395 Q HA -0.049 4.300 4.340 0.014 0.000 0.199 395 Q C 2.570 178.610 176.000 0.067 0.000 0.966 395 Q CA 1.133 57.004 55.803 0.113 0.000 0.845 395 Q CB -0.679 28.114 28.738 0.092 0.000 0.907 395 Q HN 0.490 nan 8.270 nan 0.000 0.439 396 A N 0.742 123.588 122.820 0.042 0.000 1.902 396 A HA -0.071 4.258 4.320 0.014 0.000 0.217 396 A C 2.316 179.956 177.584 0.093 0.000 1.181 396 A CA 1.781 53.827 52.037 0.013 0.000 0.623 396 A CB -1.004 17.948 19.000 -0.081 0.000 0.818 396 A HN 0.430 nan 8.150 nan 0.000 0.443 397 G N -0.626 108.212 108.800 0.063 0.000 2.404 397 G HA2 -0.232 3.736 3.960 0.014 0.000 0.215 397 G HA3 -0.232 3.736 3.960 0.014 0.000 0.215 397 G C 1.718 176.649 174.900 0.052 0.000 1.174 397 G CA 1.022 46.151 45.100 0.047 0.000 0.780 397 G HN 0.570 nan 8.290 nan 0.000 0.537 398 R N 0.389 120.918 120.500 0.048 0.000 2.083 398 R HA -0.064 4.285 4.340 0.014 0.000 0.237 398 R C 2.743 179.083 176.300 0.067 0.000 1.137 398 R CA 1.516 57.647 56.100 0.052 0.000 0.951 398 R CB -0.238 30.098 30.300 0.061 0.000 0.851 398 R HN 0.284 nan 8.270 nan 0.000 0.434 399 R N -0.313 120.233 120.500 0.076 0.000 2.115 399 R HA -0.047 4.302 4.340 0.014 0.000 0.230 399 R C 2.320 178.689 176.300 0.116 0.000 1.111 399 R CA 1.128 57.279 56.100 0.086 0.000 0.976 399 R CB -0.280 30.067 30.300 0.079 0.000 0.870 399 R HN 0.286 nan 8.270 nan 0.000 0.445 400 A N 1.328 124.231 122.820 0.140 0.000 1.898 400 A HA -0.092 4.236 4.320 0.014 0.000 0.216 400 A C 2.166 179.847 177.584 0.162 0.000 1.181 400 A CA 1.059 53.202 52.037 0.177 0.000 0.620 400 A CB -0.381 18.755 19.000 0.226 0.000 0.819 400 A HN 0.148 nan 8.150 nan 0.000 0.442 401 L N -1.042 120.276 121.223 0.157 0.000 2.072 401 L HA -0.116 4.233 4.340 0.014 0.000 0.205 401 L C 2.527 179.525 176.870 0.213 0.000 1.079 401 L CA 1.601 56.582 54.840 0.236 0.000 0.752 401 L CB -0.357 41.788 42.059 0.143 0.000 0.906 401 L HN 0.328 nan 8.230 nan 0.000 0.436 402 K N 0.130 120.605 120.400 0.125 0.000 2.044 402 K HA -0.178 4.150 4.320 0.014 0.000 0.210 402 K C 2.006 178.661 176.600 0.092 0.000 1.049 402 K CA 2.098 58.443 56.287 0.097 0.000 0.927 402 K CB -0.434 32.106 32.500 0.067 0.000 0.713 402 K HN 0.105 nan 8.250 nan 0.000 0.443 403 T N -0.187 114.425 114.554 0.096 0.000 2.720 403 T HA -0.106 4.253 4.350 0.014 0.000 0.268 403 T C 1.738 176.483 174.700 0.075 0.000 1.037 403 T CA 1.627 63.785 62.100 0.097 0.000 1.144 403 T CB -0.157 68.792 68.868 0.134 0.000 0.864 403 T HN 0.013 nan 8.240 nan 0.000 0.444 404 V N -0.172 119.733 119.914 -0.015 0.000 2.446 404 V HA 0.077 4.206 4.120 0.014 0.000 0.244 404 V C 1.658 177.468 176.094 -0.472 0.000 1.039 404 V CA 1.302 63.405 62.300 -0.328 0.000 1.045 404 V CB -0.440 31.011 31.823 -0.620 0.000 0.681 404 V HN 0.404 nan 8.190 nan 0.000 0.459 405 F N 0.275 120.249 119.950 0.041 0.000 2.695 405 F HA 0.489 5.025 4.527 0.014 0.000 0.303 405 F C 1.925 177.744 175.800 0.033 0.000 1.091 405 F CA 0.543 58.572 58.000 0.049 0.000 1.300 405 F CB -0.031 38.999 39.000 0.050 0.000 1.071 405 F HN 0.239 nan 8.300 nan 0.000 0.578 406 G N 0.807 109.690 108.800 0.138 0.000 2.189 406 G HA2 -0.253 3.716 3.960 0.014 0.000 0.267 406 G HA3 -0.253 3.716 3.960 0.014 0.000 0.267 406 G C 0.035 174.985 174.900 0.083 0.000 0.975 406 G CA 0.465 45.621 45.100 0.093 0.000 0.644 406 G HN 0.476 nan 8.290 nan 0.000 0.537 407 V N -0.398 119.572 119.914 0.094 0.000 2.876 407 V HA 0.729 4.858 4.120 0.014 0.000 0.312 407 V C -0.383 175.719 176.094 0.013 0.000 1.085 407 V CA -1.112 61.214 62.300 0.042 0.000 0.945 407 V CB 1.926 33.764 31.823 0.025 0.000 1.017 407 V HN 0.168 nan 8.190 nan 0.000 0.428 408 E N 5.966 126.163 120.200 -0.006 0.000 2.480 408 E HA 0.223 4.582 4.350 0.014 0.000 0.258 408 E C -2.360 174.199 176.600 -0.068 0.000 0.984 408 E CA -1.323 55.063 56.400 -0.024 0.000 0.930 408 E CB 0.640 30.324 29.700 -0.026 0.000 0.936 408 E HN 0.624 nan 8.360 nan 0.000 0.466 409 P HA 0.149 nan 4.420 nan 0.000 0.276 409 P C -0.407 176.820 177.300 -0.122 0.000 1.244 409 P CA -0.447 62.556 63.100 -0.161 0.000 0.801 409 P CB 0.909 32.511 31.700 -0.164 0.000 1.006 410 D N 0.882 121.199 120.400 -0.139 0.000 2.304 410 D HA 0.260 4.908 4.640 0.014 0.000 0.247 410 D C 0.173 176.423 176.300 -0.083 0.000 1.089 410 D CA -0.027 53.923 54.000 -0.082 0.000 0.910 410 D CB 0.544 41.322 40.800 -0.036 0.000 1.199 410 D HN 0.240 nan 8.370 nan 0.000 0.426 411 L N 1.728 122.897 121.223 -0.089 0.000 2.265 411 L HA 0.304 4.653 4.340 0.014 0.000 0.288 411 L C 0.724 177.594 176.870 0.000 0.000 1.058 411 L CA -0.269 54.529 54.840 -0.071 0.000 0.809 411 L CB 0.904 42.739 42.059 -0.374 0.000 1.179 411 L HN 0.409 nan 8.230 nan 0.000 0.429 412 T N 0.495 114.972 114.554 -0.127 0.000 2.907 412 T HA 0.636 4.995 4.350 0.014 0.000 0.292 412 T C -0.253 173.736 174.700 -1.184 0.000 1.043 412 T CA -1.094 60.621 62.100 -0.641 0.000 1.003 412 T CB 2.011 70.628 68.868 -0.419 0.000 1.084 412 T HN 0.439 nan 8.240 nan 0.000 0.483 413 R N 0.653 119.888 120.500 -2.108 0.000 2.573 413 R HA 0.639 4.987 4.340 0.014 0.000 0.272 413 R C -0.003 175.483 176.300 -1.357 0.000 1.009 413 R CA -0.871 54.269 56.100 -1.600 0.000 1.059 413 R CB 1.163 30.668 30.300 -1.326 0.000 1.112 413 R HN 0.668 nan 8.270 nan 0.000 0.517 414 E N -0.551 119.276 120.200 -0.622 0.000 2.299 414 E HA 0.210 4.569 4.350 0.014 0.000 0.265 414 E C 0.413 176.970 176.600 -0.072 0.000 0.911 414 E CA -0.574 55.660 56.400 -0.277 0.000 0.789 414 E CB 2.026 31.671 29.700 -0.092 0.000 1.246 414 E HN 0.816 nan 8.360 nan 0.000 0.427 415 G N 1.090 109.928 108.800 0.064 0.000 2.623 415 G HA2 0.015 3.983 3.960 0.014 0.000 0.214 415 G HA3 0.015 3.983 3.960 0.014 0.000 0.214 415 G C 0.680 175.649 174.900 0.114 0.000 1.138 415 G CA 0.524 45.698 45.100 0.124 0.000 0.794 415 G HN 0.461 nan 8.290 nan 0.000 0.535 416 G N -0.505 108.359 108.800 0.107 0.000 2.535 416 G HA2 0.460 4.428 3.960 0.014 0.000 0.282 416 G HA3 0.460 4.428 3.960 0.014 0.000 0.282 416 G C -0.658 174.300 174.900 0.097 0.000 1.350 416 G CA -0.150 45.012 45.100 0.104 0.000 1.039 416 G HN 0.194 nan 8.290 nan 0.000 0.509 417 S N -0.908 114.843 115.700 0.085 0.000 2.571 417 S HA 0.482 4.960 4.470 0.014 0.000 0.284 417 S C -0.710 173.913 174.600 0.038 0.000 1.128 417 S CA -0.298 57.942 58.200 0.068 0.000 0.970 417 S CB 1.428 64.663 63.200 0.059 0.000 1.039 417 S HN 0.449 nan 8.310 nan 0.000 0.485 418 I N 3.998 124.576 120.570 0.013 0.000 2.537 418 I HA 0.277 4.455 4.170 0.014 0.000 0.276 418 I C -2.021 174.036 176.117 -0.100 0.000 1.063 418 I CA -2.221 59.063 61.300 -0.027 0.000 1.144 418 I CB 1.755 39.757 38.000 0.003 0.000 1.252 418 I HN 0.357 nan 8.210 nan 0.000 0.480 419 P HA -0.248 nan 4.420 nan 0.000 0.219 419 P C 1.736 178.926 177.300 -0.184 0.000 1.158 419 P CA 1.191 64.228 63.100 -0.106 0.000 0.895 419 P CB 0.374 32.011 31.700 -0.106 0.000 0.792 420 V N -0.488 119.249 119.914 -0.296 0.000 3.078 420 V HA -0.171 3.957 4.120 0.014 0.000 0.265 420 V C 2.156 177.981 176.094 -0.448 0.000 1.122 420 V CA 2.407 64.424 62.300 -0.472 0.000 1.141 420 V CB -1.609 29.786 31.823 -0.713 0.000 0.735 420 V HN 0.331 nan 8.190 nan 0.000 0.498 421 T N -1.793 112.520 114.554 -0.402 0.000 2.746 421 T HA -0.221 4.137 4.350 0.014 0.000 0.267 421 T C 1.854 176.280 174.700 -0.456 0.000 1.039 421 T CA 1.780 63.535 62.100 -0.575 0.000 1.142 421 T CB -0.464 67.706 68.868 -1.163 0.000 0.866 421 T HN 0.375 nan 8.240 nan 0.000 0.444 422 L N 1.732 122.822 121.223 -0.222 0.000 2.056 422 L HA 0.042 4.390 4.340 0.014 0.000 0.207 422 L C 2.656 179.495 176.870 -0.052 0.000 1.078 422 L CA 1.893 56.746 54.840 0.021 0.000 0.749 422 L CB -1.258 40.871 42.059 0.117 0.000 0.901 422 L HN 0.295 nan 8.230 nan 0.000 0.433 423 T N -0.413 114.024 114.554 -0.196 0.000 2.665 423 T HA -0.214 4.145 4.350 0.014 0.000 0.268 423 T C 1.680 176.061 174.700 -0.532 0.000 1.035 423 T CA 2.023 63.897 62.100 -0.377 0.000 1.151 423 T CB -0.528 68.014 68.868 -0.543 0.000 0.862 423 T HN 0.198 nan 8.240 nan 0.000 0.438 424 F N 1.308 121.017 119.950 -0.402 0.000 2.102 424 F HA -0.077 4.459 4.527 0.015 0.000 0.298 424 F C 2.772 178.431 175.800 -0.236 0.000 1.105 424 F CA 1.083 58.850 58.000 -0.389 0.000 1.239 424 F CB -0.894 37.887 39.000 -0.365 0.000 0.991 424 F HN 0.149 nan 8.300 nan 0.000 0.474 425 Q N 0.260 120.098 119.800 0.064 0.000 2.077 425 Q HA -0.244 4.104 4.340 0.014 0.000 0.206 425 Q C 2.030 178.071 176.000 0.068 0.000 0.989 425 Q CA 2.290 58.162 55.803 0.116 0.000 0.853 425 Q CB -0.129 28.754 28.738 0.242 0.000 0.907 425 Q HN 0.498 nan 8.270 nan 0.000 0.418 426 E N -0.444 119.781 120.200 0.042 0.000 2.028 426 E HA -0.120 4.239 4.350 0.014 0.000 0.190 426 E C 1.976 178.611 176.600 0.058 0.000 0.984 426 E CA 0.799 57.255 56.400 0.094 0.000 0.800 426 E CB -0.193 29.633 29.700 0.211 0.000 0.758 426 E HN 0.480 nan 8.360 nan 0.000 0.448 427 A N 0.973 123.691 122.820 -0.170 0.000 1.933 427 A HA -0.186 4.143 4.320 0.014 0.000 0.218 427 A C 2.373 179.897 177.584 -0.100 0.000 1.175 427 A CA 2.237 54.116 52.037 -0.263 0.000 0.628 427 A CB -0.779 17.716 19.000 -0.842 0.000 0.814 427 A HN 0.418 nan 8.150 nan 0.000 0.444 428 T N -5.485 109.020 114.554 -0.081 0.000 3.023 428 T HA 0.392 4.751 4.350 0.014 0.000 0.249 428 T C 1.604 176.302 174.700 -0.005 0.000 1.050 428 T CA 1.138 63.221 62.100 -0.028 0.000 1.088 428 T CB -0.033 68.823 68.868 -0.021 0.000 0.946 428 T HN 1.674 nan 8.240 nan 0.000 0.480 429 G N 1.865 110.672 108.800 0.012 0.000 2.196 429 G HA2 -0.244 3.724 3.960 0.014 0.000 0.268 429 G HA3 -0.244 3.724 3.960 0.014 0.000 0.268 429 G C 0.131 175.038 174.900 0.012 0.000 0.975 429 G CA 0.473 45.588 45.100 0.025 0.000 0.648 429 G HN 0.625 nan 8.290 nan 0.000 0.538 430 K N 0.441 120.833 120.400 -0.013 0.000 2.090 430 K HA 0.304 4.632 4.320 0.014 0.000 0.249 430 K C 0.355 176.935 176.600 -0.033 0.000 0.995 430 K CA -0.986 55.262 56.287 -0.064 0.000 0.914 430 K CB 0.437 32.862 32.500 -0.125 0.000 1.057 430 K HN 0.244 nan 8.250 nan 0.000 0.462 431 N N 0.967 119.596 118.700 -0.117 0.000 2.497 431 N HA 0.073 4.822 4.740 0.014 0.000 0.271 431 N C -1.148 174.463 175.510 0.168 0.000 1.142 431 N CA -0.119 52.907 53.050 -0.040 0.000 0.965 431 N CB 0.749 38.986 38.487 -0.416 0.000 1.077 431 N HN 0.046 nan 8.380 nan 0.000 0.462 432 V N 5.230 125.347 119.914 0.339 0.000 2.370 432 V HA 0.395 4.524 4.120 0.014 0.000 0.283 432 V C 0.239 176.643 176.094 0.516 0.000 1.023 432 V CA -0.512 62.000 62.300 0.354 0.000 0.857 432 V CB 1.252 33.230 31.823 0.259 0.000 0.985 432 V HN 0.694 nan 8.190 nan 0.000 0.443 433 M N 5.248 125.004 119.600 0.259 0.000 2.395 433 M HA 0.643 5.132 4.480 0.014 0.000 0.307 433 M C -2.004 174.286 176.300 -0.017 0.000 1.091 433 M CA -0.812 54.470 55.300 -0.030 0.000 0.919 433 M CB 1.988 34.160 32.600 -0.712 0.000 1.662 433 M HN 0.478 nan 8.290 nan 0.000 0.440 434 L N 5.405 126.665 121.223 0.063 0.000 2.280 434 L HA 0.505 4.854 4.340 0.014 0.000 0.287 434 L C -1.162 175.673 176.870 -0.058 0.000 1.023 434 L CA 0.031 54.882 54.840 0.018 0.000 0.819 434 L CB 1.556 43.669 42.059 0.091 0.000 1.212 434 L HN 0.641 nan 8.230 nan 0.000 0.420 435 L N 6.947 128.110 121.223 -0.100 0.000 2.277 435 L HA 0.445 4.794 4.340 0.014 0.000 0.284 435 L C -2.070 174.756 176.870 -0.072 0.000 1.028 435 L CA -1.755 53.013 54.840 -0.121 0.000 0.835 435 L CB 1.245 43.174 42.059 -0.216 0.000 1.215 435 L HN 0.367 nan 8.230 nan 0.000 0.425 436 P HA 0.065 nan 4.420 nan 0.000 0.276 436 P C 0.446 177.806 177.300 0.100 0.000 1.230 436 P CA -0.195 62.913 63.100 0.014 0.000 0.776 436 P CB 2.398 34.168 31.700 0.117 0.000 0.888 437 V N 2.884 122.808 119.914 0.016 0.000 2.672 437 V HA 0.130 4.258 4.120 0.014 0.000 0.242 437 V C 1.583 177.658 176.094 -0.031 0.000 1.059 437 V CA 1.586 63.905 62.300 0.030 0.000 1.081 437 V CB -0.615 31.193 31.823 -0.026 0.000 0.752 437 V HN 0.706 nan 8.190 nan 0.000 0.472 438 G N -0.167 108.624 108.800 -0.015 0.000 2.599 438 G HA2 0.403 4.371 3.960 0.014 0.000 0.264 438 G HA3 0.403 4.371 3.960 0.014 0.000 0.264 438 G C -0.084 174.740 174.900 -0.127 0.000 1.200 438 G CA -0.034 45.066 45.100 -0.000 0.000 0.896 438 G HN 0.321 nan 8.290 nan 0.000 0.536 439 S N -1.100 114.494 115.700 -0.177 0.000 2.713 439 S HA 0.469 4.948 4.470 0.014 0.000 0.277 439 S C 1.586 176.203 174.600 0.029 0.000 1.168 439 S CA 0.056 58.115 58.200 -0.235 0.000 0.994 439 S CB 1.561 64.585 63.200 -0.294 0.000 1.054 439 S HN 0.915 nan 8.310 nan 0.000 0.555 440 A N 0.732 123.605 122.820 0.089 0.000 2.209 440 A HA -0.010 4.318 4.320 0.014 0.000 0.212 440 A C 0.934 178.564 177.584 0.076 0.000 1.158 440 A CA 1.178 53.318 52.037 0.172 0.000 0.742 440 A CB -0.398 18.767 19.000 0.274 0.000 0.790 440 A HN 0.766 nan 8.150 nan 0.000 0.472 441 D N -2.110 118.284 120.400 -0.010 0.000 2.650 441 D HA 0.080 4.728 4.640 0.014 0.000 0.265 441 D C -0.208 176.026 176.300 -0.110 0.000 1.339 441 D CA -0.157 53.812 54.000 -0.051 0.000 0.816 441 D CB -0.347 40.434 40.800 -0.031 0.000 1.091 441 D HN 0.044 nan 8.370 nan 0.000 0.483 442 D N 1.294 121.605 120.400 -0.148 0.000 2.264 442 D HA 0.073 4.722 4.640 0.014 0.000 0.208 442 D C 1.665 177.860 176.300 -0.175 0.000 0.966 442 D CA 1.664 55.562 54.000 -0.170 0.000 0.864 442 D CB -0.267 40.445 40.800 -0.148 0.000 0.933 442 D HN 0.509 nan 8.370 nan 0.000 0.499 443 G N 0.445 109.126 108.800 -0.198 0.000 2.298 443 G HA2 -0.178 3.791 3.960 0.014 0.000 0.287 443 G HA3 -0.178 3.791 3.960 0.014 0.000 0.287 443 G C 0.407 175.230 174.900 -0.128 0.000 1.075 443 G CA 0.198 45.198 45.100 -0.167 0.000 0.960 443 G HN 0.563 nan 8.290 nan 0.000 0.502 444 A N 0.152 122.860 122.820 -0.187 0.000 2.565 444 A HA 0.470 4.799 4.320 0.014 0.000 0.237 444 A C 1.428 179.099 177.584 0.146 0.000 1.053 444 A CA 1.486 53.519 52.037 -0.006 0.000 0.755 444 A CB -0.261 18.681 19.000 -0.096 0.000 0.980 444 A HN 1.628 nan 8.150 nan 0.000 0.506 445 H N -0.494 118.590 119.070 0.023 0.000 3.415 445 H HA -0.171 4.394 4.556 0.014 0.000 0.213 445 H C 0.665 176.006 175.328 0.022 0.000 1.091 445 H CA 0.730 56.802 56.048 0.040 0.000 1.182 445 H CB -1.344 28.441 29.762 0.038 0.000 1.160 445 H HN 0.688 nan 8.280 nan 0.000 0.319 446 S N -0.204 115.542 115.700 0.076 0.000 2.766 446 S HA 0.417 4.896 4.470 0.014 0.000 0.307 446 S C -0.169 174.289 174.600 -0.238 0.000 1.121 446 S CA -0.820 57.346 58.200 -0.056 0.000 0.980 446 S CB 1.674 64.806 63.200 -0.113 0.000 1.159 446 S HN 0.256 nan 8.310 nan 0.000 0.546 447 Q N 1.705 121.234 119.800 -0.451 0.000 2.373 447 Q HA 0.389 4.738 4.340 0.014 0.000 0.255 447 Q C -0.153 175.144 176.000 -1.172 0.000 0.980 447 Q CA 0.216 55.330 55.803 -1.149 0.000 0.882 447 Q CB 0.087 28.378 28.738 -0.744 0.000 1.249 447 Q HN 0.655 nan 8.270 nan 0.000 0.438 448 N N -0.035 117.491 118.700 -1.957 0.000 2.747 448 N HA -0.220 4.529 4.740 0.014 0.000 0.249 448 N C -0.943 174.410 175.510 -0.263 0.000 1.107 448 N CA 1.027 53.621 53.050 -0.761 0.000 0.707 448 N CB -1.159 37.139 38.487 -0.314 0.000 1.054 448 N HN 0.744 nan 8.380 nan 0.000 0.555 449 E N 0.834 120.814 120.200 -0.366 0.000 2.608 449 E HA 0.013 4.371 4.350 0.014 0.000 0.259 449 E C 0.278 176.871 176.600 -0.012 0.000 0.951 449 E CA 0.301 56.660 56.400 -0.068 0.000 0.945 449 E CB 0.416 30.170 29.700 0.091 0.000 0.916 449 E HN 0.250 nan 8.360 nan 0.000 0.477 450 K N 3.503 123.801 120.400 -0.170 0.000 2.433 450 K HA 0.542 4.870 4.320 0.014 0.000 0.252 450 K C -1.704 174.757 176.600 -0.233 0.000 1.015 450 K CA -1.059 55.029 56.287 -0.333 0.000 0.860 450 K CB 1.044 32.980 32.500 -0.939 0.000 1.359 450 K HN 0.327 nan 8.250 nan 0.000 0.452 451 L N 1.527 122.605 121.223 -0.241 0.000 2.349 451 L HA 0.510 4.859 4.340 0.014 0.000 0.278 451 L C -1.389 175.362 176.870 -0.199 0.000 0.996 451 L CA -0.345 54.386 54.840 -0.182 0.000 0.825 451 L CB 1.457 43.427 42.059 -0.150 0.000 1.243 451 L HN 0.653 nan 8.230 nan 0.000 0.412 452 N N 3.632 122.224 118.700 -0.180 0.000 2.458 452 N HA 0.038 4.787 4.740 0.014 0.000 0.258 452 N C 1.023 176.488 175.510 -0.076 0.000 1.219 452 N CA 0.128 53.089 53.050 -0.149 0.000 0.902 452 N CB 0.736 39.129 38.487 -0.156 0.000 1.076 452 N HN 0.639 nan 8.380 nan 0.000 0.455 453 R N 1.874 122.345 120.500 -0.048 0.000 2.103 453 R HA -0.190 4.159 4.340 0.014 0.000 0.242 453 R C 1.651 177.961 176.300 0.016 0.000 1.142 453 R CA 1.296 57.408 56.100 0.021 0.000 0.960 453 R CB -0.315 29.988 30.300 0.005 0.000 0.858 453 R HN 0.529 nan 8.270 nan 0.000 0.439 454 L N 1.741 122.945 121.223 -0.031 0.000 1.989 454 L HA -0.200 4.149 4.340 0.014 0.000 0.211 454 L C 1.864 178.718 176.870 -0.026 0.000 1.071 454 L CA 1.973 56.789 54.840 -0.040 0.000 0.749 454 L CB -0.672 41.364 42.059 -0.037 0.000 0.890 454 L HN 0.300 nan 8.230 nan 0.000 0.431 455 N N -1.561 117.108 118.700 -0.052 0.000 2.104 455 N HA -0.290 4.459 4.740 0.014 0.000 0.190 455 N C 1.920 177.447 175.510 0.028 0.000 1.024 455 N CA 1.796 54.815 53.050 -0.052 0.000 0.853 455 N CB -0.399 37.974 38.487 -0.191 0.000 1.008 455 N HN 0.389 nan 8.380 nan 0.000 0.424 456 Y N 1.941 122.174 120.300 -0.112 0.000 2.128 456 Y HA -0.153 4.405 4.550 0.014 0.000 0.284 456 Y C 2.162 177.979 175.900 -0.138 0.000 1.154 456 Y CA 1.254 59.286 58.100 -0.113 0.000 1.149 456 Y CB -0.273 38.123 38.460 -0.106 0.000 0.976 456 Y HN -0.013 nan 8.280 nan 0.000 0.505 457 I N -0.145 120.273 120.570 -0.253 0.000 2.385 457 I HA -0.122 4.056 4.170 0.014 0.000 0.244 457 I C 2.176 178.071 176.117 -0.369 0.000 1.089 457 I CA 1.026 62.069 61.300 -0.429 0.000 1.410 457 I CB -1.322 36.475 38.000 -0.339 0.000 1.117 457 I HN 0.143 nan 8.210 nan 0.000 0.429 458 E N 1.101 121.147 120.200 -0.256 0.000 2.153 458 E HA -0.135 4.224 4.350 0.014 0.000 0.194 458 E C 2.246 178.709 176.600 -0.228 0.000 0.988 458 E CA 1.226 57.442 56.400 -0.306 0.000 0.811 458 E CB -0.471 29.104 29.700 -0.209 0.000 0.746 458 E HN 0.515 nan 8.360 nan 0.000 0.466 459 G N 0.725 109.483 108.800 -0.069 0.000 2.418 459 G HA2 -0.256 3.712 3.960 0.014 0.000 0.217 459 G HA3 -0.256 3.712 3.960 0.014 0.000 0.217 459 G C 1.708 176.500 174.900 -0.180 0.000 1.158 459 G CA 1.399 46.479 45.100 -0.034 0.000 0.771 459 G HN 0.243 nan 8.290 nan 0.000 0.545 460 T N 0.939 115.332 114.554 -0.269 0.000 2.720 460 T HA -0.105 4.253 4.350 0.014 0.000 0.268 460 T C 2.339 176.909 174.700 -0.217 0.000 1.037 460 T CA 1.571 63.513 62.100 -0.264 0.000 1.144 460 T CB -0.166 68.496 68.868 -0.344 0.000 0.864 460 T HN 0.351 nan 8.240 nan 0.000 0.444 461 K N 0.868 121.062 120.400 -0.342 0.000 2.057 461 K HA 0.038 4.367 4.320 0.014 0.000 0.206 461 K C 2.423 178.886 176.600 -0.228 0.000 1.050 461 K CA 1.015 57.022 56.287 -0.467 0.000 0.935 461 K CB -0.290 31.540 32.500 -1.117 0.000 0.715 461 K HN 0.322 nan 8.250 nan 0.000 0.439 462 M N 1.382 120.858 119.600 -0.206 0.000 2.080 462 M HA -0.190 4.299 4.480 0.014 0.000 0.260 462 M C 1.904 178.231 176.300 0.045 0.000 1.068 462 M CA 1.723 57.005 55.300 -0.030 0.000 1.109 462 M CB -0.233 32.409 32.600 0.071 0.000 1.342 462 M HN 0.124 nan 8.290 nan 0.000 0.405 463 L N 0.526 121.699 121.223 -0.083 0.000 2.046 463 L HA -0.171 4.178 4.340 0.014 0.000 0.208 463 L C 2.883 179.890 176.870 0.228 0.000 1.077 463 L CA 1.345 56.107 54.840 -0.130 0.000 0.747 463 L CB -1.193 40.516 42.059 -0.584 0.000 0.896 463 L HN 0.419 nan 8.230 nan 0.000 0.432 464 A N 0.125 123.087 122.820 0.238 0.000 1.902 464 A HA -0.181 4.148 4.320 0.014 0.000 0.217 464 A C 2.546 180.399 177.584 0.450 0.000 1.181 464 A CA 1.831 54.116 52.037 0.413 0.000 0.623 464 A CB -0.742 18.411 19.000 0.256 0.000 0.818 464 A HN 0.408 nan 8.150 nan 0.000 0.443 465 A N -1.390 121.662 122.820 0.387 0.000 1.933 465 A HA -0.102 4.227 4.320 0.014 0.000 0.218 465 A C 2.122 179.907 177.584 0.335 0.000 1.175 465 A CA 1.679 53.938 52.037 0.370 0.000 0.628 465 A CB -0.845 18.379 19.000 0.373 0.000 0.814 465 A HN 0.819 nan 8.150 nan 0.000 0.444 466 Y N 0.762 121.179 120.300 0.195 0.000 2.128 466 Y HA -0.217 4.342 4.550 0.014 0.000 0.284 466 Y C 1.865 177.861 175.900 0.160 0.000 1.154 466 Y CA 2.013 60.199 58.100 0.144 0.000 1.149 466 Y CB -0.412 38.117 38.460 0.115 0.000 0.976 466 Y HN 0.219 nan 8.280 nan 0.000 0.505 467 L N -1.067 120.184 121.223 0.046 0.000 2.017 467 L HA -0.225 4.123 4.340 0.014 0.000 0.208 467 L C 2.413 179.224 176.870 -0.098 0.000 1.073 467 L CA 1.804 56.590 54.840 -0.089 0.000 0.745 467 L CB -1.099 41.045 42.059 0.141 0.000 0.894 467 L HN 0.333 nan 8.230 nan 0.000 0.432 468 Y N 1.260 121.567 120.300 0.012 0.000 2.114 468 Y HA -0.297 4.262 4.550 0.014 0.000 0.282 468 Y C 2.618 178.476 175.900 -0.069 0.000 1.165 468 Y CA 1.795 59.897 58.100 0.004 0.000 1.148 468 Y CB -0.126 38.392 38.460 0.098 0.000 0.972 468 Y HN 0.135 nan 8.280 nan 0.000 0.504 469 E N -0.255 119.828 120.200 -0.195 0.000 2.153 469 E HA -0.147 4.212 4.350 0.014 0.000 0.194 469 E C 2.456 178.846 176.600 -0.350 0.000 0.988 469 E CA 1.317 57.554 56.400 -0.272 0.000 0.811 469 E CB -0.532 29.136 29.700 -0.053 0.000 0.746 469 E HN 0.466 nan 8.360 nan 0.000 0.466 470 V N 1.896 121.550 119.914 -0.434 0.000 2.343 470 V HA -0.249 3.879 4.120 0.014 0.000 0.247 470 V C 2.542 178.455 176.094 -0.301 0.000 1.051 470 V CA 1.968 64.004 62.300 -0.439 0.000 1.036 470 V CB -0.872 30.609 31.823 -0.570 0.000 0.654 470 V HN 0.334 nan 8.190 nan 0.000 0.451 471 S N -0.440 115.072 115.700 -0.313 0.000 2.493 471 S HA -0.211 4.268 4.470 0.014 0.000 0.243 471 S C 1.632 176.077 174.600 -0.260 0.000 0.991 471 S CA 1.128 59.175 58.200 -0.255 0.000 0.957 471 S CB -0.256 62.788 63.200 -0.259 0.000 0.756 471 S HN 0.632 nan 8.310 nan 0.000 0.521 472 Q N 0.260 119.867 119.800 -0.322 0.000 2.247 472 Q HA 0.425 4.774 4.340 0.014 0.000 0.211 472 Q C 0.248 176.164 176.000 -0.140 0.000 0.861 472 Q CA -0.074 55.577 55.803 -0.253 0.000 0.949 472 Q CB 0.166 28.698 28.738 -0.344 0.000 1.115 472 Q HN 0.559 nan 8.270 nan 0.000 0.507 473 L N 1.676 122.827 121.223 -0.120 0.000 2.461 473 L HA 0.044 4.393 4.340 0.014 0.000 0.272 473 L C 0.766 177.631 176.870 -0.009 0.000 1.197 473 L CA 0.062 54.876 54.840 -0.044 0.000 0.836 473 L CB 0.266 42.315 42.059 -0.017 0.000 1.105 473 L HN -0.148 nan 8.230 nan 0.000 0.477 474 K N 0.000 120.403 120.400 0.005 0.000 2.780 474 K HA 0.000 4.329 4.320 0.014 0.000 0.191 474 K CA 0.000 56.292 56.287 0.009 0.000 0.838 474 K CB 0.000 32.501 32.500 0.001 0.000 1.064 474 K HN 0.000 nan 8.250 nan 0.000 0.543