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 3eiq_1_D DATA FIRST_RESID 22 DATA SEQUENCE VIESNWNEIV DSFDDMNLSE SLLRGIYAYG FEKPSAIQQR AILPCIKGYD DATA SEQUENCE VIAQAQSGTG KTATFAISIL QQIELDLKAT QALVLAPTRE LAQQIQKVVM DATA SEQUENCE ALGDYMGASC HACIGGTNVR AEVQKLQMEA PHIIVGTPGR VFDMLNRRYL DATA SEQUENCE SPKYIKMFVL DEADEMLSRG FKDQIYDIFQ KLNSNTQVVL LSATMPSDVL DATA SEQUENCE EVTKKFMRDP IRILVKKEEL TLEGIRQFYI NVEREEWKLD TLCDLYETLT DATA SEQUENCE ITQAVIFINT RRKVDWLTEK MHARDFTVSA MXXDMDQKER DVIMREFXXX DATA SEQUENCE XXXVLITTDL LARGIDVQQV SLVINYDLPT NRENYIHRIG RGGRFGRKGV DATA SEQUENCE AINMVTEEDK RTLRDIETFY NTSIEEMPL 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 22 V HA 0.000 nan 4.120 nan 0.000 0.244 22 V C 0.000 176.108 176.094 0.023 0.000 1.182 22 V CA 0.000 62.314 62.300 0.023 0.000 1.235 22 V CB 0.000 31.838 31.823 0.025 0.000 1.184 23 I N -0.966 119.620 120.570 0.026 0.000 2.823 23 I HA 0.639 4.813 4.170 0.005 0.000 0.290 23 I C 0.104 176.237 176.117 0.025 0.000 1.091 23 I CA -0.054 61.261 61.300 0.025 0.000 1.365 23 I CB 0.934 38.951 38.000 0.028 0.000 1.427 23 I HN 0.833 nan 8.210 nan 0.000 0.583 24 E N 3.548 123.762 120.200 0.023 0.000 2.105 24 E HA 0.144 4.498 4.350 0.005 0.000 0.285 24 E C -0.417 176.203 176.600 0.033 0.000 1.055 24 E CA -0.284 56.130 56.400 0.024 0.000 0.843 24 E CB 0.871 30.582 29.700 0.019 0.000 1.067 24 E HN 0.684 nan 8.360 nan 0.000 0.398 25 S N 3.515 119.237 115.700 0.037 0.000 2.560 25 S HA 0.016 4.489 4.470 0.005 0.000 0.284 25 S C 0.258 174.894 174.600 0.060 0.000 1.327 25 S CA -0.257 57.977 58.200 0.056 0.000 1.055 25 S CB 0.220 63.451 63.200 0.052 0.000 0.868 25 S HN 0.692 nan 8.310 nan 0.000 0.506 26 N N 4.378 123.136 118.700 0.097 0.000 2.547 26 N HA 0.106 4.849 4.740 0.005 0.000 0.285 26 N C -1.082 174.546 175.510 0.197 0.000 1.600 26 N CA -0.472 52.638 53.050 0.099 0.000 0.872 26 N CB 0.122 38.654 38.487 0.074 0.000 1.412 26 N HN 0.676 nan 8.380 nan 0.000 0.489 27 W N 2.198 123.475 121.300 -0.039 0.000 4.571 27 W HA 0.243 4.899 4.660 -0.006 0.000 0.256 27 W C -2.327 174.173 176.519 -0.032 0.000 1.329 27 W CA -0.447 56.870 57.345 -0.046 0.000 1.414 27 W CB 0.401 29.826 29.460 -0.059 0.000 1.086 27 W HN 0.136 nan 8.180 nan 0.000 0.491 28 N N 3.868 122.292 118.700 -0.460 0.000 2.747 28 N HA 0.234 4.978 4.740 0.005 0.000 0.262 28 N C -1.890 173.316 175.510 -0.507 0.000 1.261 28 N CA -0.065 52.767 53.050 -0.363 0.000 0.809 28 N CB 1.204 39.632 38.487 -0.099 0.000 1.450 28 N HN 0.464 nan 8.380 nan 0.000 0.560 29 E N 2.386 122.189 120.200 -0.662 0.000 2.222 29 E HA 0.528 4.881 4.350 0.005 0.000 0.267 29 E C -0.497 175.981 176.600 -0.202 0.000 0.884 29 E CA -0.793 55.324 56.400 -0.471 0.000 0.764 29 E CB 2.560 31.858 29.700 -0.670 0.000 1.169 29 E HN 0.471 nan 8.360 nan 0.000 0.413 30 I N 2.240 122.735 120.570 -0.126 0.000 2.441 30 I HA 0.295 4.469 4.170 0.005 0.000 0.295 30 I C -0.856 175.231 176.117 -0.050 0.000 0.994 30 I CA -0.976 60.284 61.300 -0.067 0.000 1.144 30 I CB 1.849 39.806 38.000 -0.071 0.000 1.314 30 I HN 0.192 nan 8.210 nan 0.000 0.445 31 V N 5.582 125.469 119.914 -0.045 0.000 2.409 31 V HA 0.210 4.333 4.120 0.005 0.000 0.291 31 V C 0.042 176.077 176.094 -0.098 0.000 1.020 31 V CA -0.544 61.723 62.300 -0.056 0.000 0.848 31 V CB 1.312 33.111 31.823 -0.041 0.000 0.990 31 V HN 0.678 nan 8.190 nan 0.000 0.430 32 D N 1.741 122.098 120.400 -0.071 0.000 2.097 32 D HA -0.029 4.615 4.640 0.005 0.000 0.197 32 D C 0.971 177.215 176.300 -0.093 0.000 0.984 32 D CA 1.275 55.234 54.000 -0.068 0.000 0.826 32 D CB 0.283 41.067 40.800 -0.027 0.000 0.973 32 D HN 0.490 nan 8.370 nan 0.000 0.460 33 S N -1.400 114.260 115.700 -0.067 0.000 2.532 33 S HA 0.308 4.781 4.470 0.005 0.000 0.301 33 S C 0.324 174.889 174.600 -0.059 0.000 1.083 33 S CA -0.739 57.453 58.200 -0.013 0.000 1.025 33 S CB 0.751 64.003 63.200 0.088 0.000 1.056 33 S HN -0.058 nan 8.310 nan 0.000 0.494 34 F N 1.099 121.099 119.950 0.083 0.000 2.583 34 F HA -0.034 4.497 4.527 0.007 0.000 0.297 34 F C 1.784 177.618 175.800 0.055 0.000 1.131 34 F CA 0.592 58.609 58.000 0.028 0.000 1.467 34 F CB -0.034 38.933 39.000 -0.054 0.000 1.097 34 F HN 0.493 nan 8.300 nan 0.000 0.586 35 D N -0.376 120.177 120.400 0.255 0.000 2.277 35 D HA -0.079 4.564 4.640 0.005 0.000 0.208 35 D C 0.973 177.340 176.300 0.113 0.000 0.962 35 D CA 0.910 55.024 54.000 0.190 0.000 0.865 35 D CB -0.208 40.699 40.800 0.178 0.000 0.939 35 D HN 0.161 nan 8.370 nan 0.000 0.510 36 D N -0.415 120.034 120.400 0.081 0.000 2.434 36 D HA 0.128 4.771 4.640 0.005 0.000 0.232 36 D C 0.958 177.286 176.300 0.047 0.000 1.166 36 D CA 0.073 54.104 54.000 0.052 0.000 0.830 36 D CB 0.151 40.970 40.800 0.031 0.000 0.960 36 D HN 0.285 nan 8.370 nan 0.000 0.497 37 M N -0.766 118.870 119.600 0.060 0.000 2.306 37 M HA 0.076 4.559 4.480 0.005 0.000 0.292 37 M C -0.469 175.862 176.300 0.052 0.000 1.018 37 M CA -0.210 55.123 55.300 0.054 0.000 1.007 37 M CB -0.045 32.590 32.600 0.059 0.000 1.510 37 M HN -0.166 nan 8.290 nan 0.000 0.537 38 N N 1.898 120.630 118.700 0.052 0.000 2.686 38 N HA -0.163 4.580 4.740 0.005 0.000 0.261 38 N C -1.111 174.420 175.510 0.036 0.000 1.001 38 N CA 0.399 53.474 53.050 0.043 0.000 0.764 38 N CB -1.535 36.973 38.487 0.034 0.000 0.898 38 N HN 0.392 nan 8.380 nan 0.000 0.544 39 L N -0.474 120.774 121.223 0.040 0.000 2.375 39 L HA 0.359 4.703 4.340 0.005 0.000 0.271 39 L C 1.284 178.165 176.870 0.019 0.000 1.107 39 L CA -0.785 54.069 54.840 0.025 0.000 0.806 39 L CB 1.183 43.254 42.059 0.020 0.000 1.146 39 L HN 0.323 nan 8.230 nan 0.000 0.447 40 S N 0.827 116.533 115.700 0.011 0.000 2.536 40 S HA -0.148 4.325 4.470 0.005 0.000 0.294 40 S C 1.144 175.751 174.600 0.013 0.000 1.289 40 S CA 0.309 58.516 58.200 0.012 0.000 1.035 40 S CB 0.394 63.600 63.200 0.010 0.000 0.783 40 S HN 0.761 nan 8.310 nan 0.000 0.497 41 E N 2.023 122.232 120.200 0.015 0.000 2.047 41 E HA -0.089 4.264 4.350 0.005 0.000 0.191 41 E C 2.299 178.899 176.600 -0.001 0.000 0.987 41 E CA 1.361 57.768 56.400 0.012 0.000 0.799 41 E CB -0.231 29.475 29.700 0.009 0.000 0.752 41 E HN 0.789 nan 8.360 nan 0.000 0.449 42 S N 1.201 116.908 115.700 0.013 0.000 2.392 42 S HA -0.230 4.243 4.470 0.005 0.000 0.232 42 S C 1.893 176.539 174.600 0.078 0.000 1.041 42 S CA 1.118 59.349 58.200 0.052 0.000 1.026 42 S CB -0.296 62.957 63.200 0.088 0.000 0.845 42 S HN 0.176 nan 8.310 nan 0.000 0.465 43 L N 0.964 122.206 121.223 0.031 0.000 2.072 43 L HA 0.082 4.425 4.340 0.005 0.000 0.205 43 L C 1.995 178.832 176.870 -0.055 0.000 1.079 43 L CA 1.301 56.141 54.840 -0.000 0.000 0.752 43 L CB -0.685 41.361 42.059 -0.021 0.000 0.906 43 L HN 0.170 nan 8.230 nan 0.000 0.436 44 L N -0.122 121.061 121.223 -0.066 0.000 1.989 44 L HA -0.189 4.154 4.340 0.005 0.000 0.211 44 L C 2.762 179.544 176.870 -0.146 0.000 1.071 44 L CA 1.708 56.455 54.840 -0.154 0.000 0.749 44 L CB -1.095 40.948 42.059 -0.026 0.000 0.890 44 L HN 0.317 nan 8.230 nan 0.000 0.431 45 R N -0.711 119.772 120.500 -0.028 0.000 2.159 45 R HA -0.143 4.200 4.340 0.005 0.000 0.237 45 R C 1.997 178.361 176.300 0.107 0.000 1.131 45 R CA 1.251 57.336 56.100 -0.025 0.000 0.982 45 R CB -0.579 29.516 30.300 -0.342 0.000 0.868 45 R HN 0.553 nan 8.270 nan 0.000 0.453 46 G N 1.024 109.932 108.800 0.179 0.000 2.403 46 G HA2 -0.173 3.790 3.960 0.005 0.000 0.216 46 G HA3 -0.173 3.790 3.960 0.005 0.000 0.216 46 G C 1.424 176.393 174.900 0.115 0.000 1.154 46 G CA 0.482 45.750 45.100 0.279 0.000 0.784 46 G HN 0.466 nan 8.290 nan 0.000 0.538 47 I N -2.815 117.699 120.570 -0.093 0.000 3.419 47 I HA 0.182 4.355 4.170 0.005 0.000 0.286 47 I C 1.810 177.860 176.117 -0.112 0.000 1.268 47 I CA 0.421 61.620 61.300 -0.168 0.000 1.414 47 I CB -0.091 37.601 38.000 -0.513 0.000 1.074 47 I HN 0.038 nan 8.210 nan 0.000 0.457 48 Y N 1.909 122.236 120.300 0.044 0.000 2.301 48 Y HA 0.270 4.823 4.550 0.005 0.000 0.295 48 Y C 2.965 178.929 175.900 0.106 0.000 1.119 48 Y CA 0.848 58.987 58.100 0.064 0.000 1.162 48 Y CB -0.957 37.522 38.460 0.032 0.000 1.046 48 Y HN 0.185 nan 8.280 nan 0.000 0.538 49 A N -0.625 122.367 122.820 0.287 0.000 1.986 49 A HA -0.292 4.031 4.320 0.005 0.000 0.220 49 A C 1.989 179.684 177.584 0.185 0.000 1.171 49 A CA 1.735 53.911 52.037 0.232 0.000 0.640 49 A CB -1.384 17.803 19.000 0.312 0.000 0.811 49 A HN 0.573 nan 8.150 nan 0.000 0.451 50 Y N -0.177 120.164 120.300 0.068 0.000 2.497 50 Y HA 0.169 4.722 4.550 0.005 0.000 0.292 50 Y C 1.753 177.585 175.900 -0.113 0.000 1.137 50 Y CA 1.067 59.156 58.100 -0.019 0.000 1.285 50 Y CB -0.092 38.375 38.460 0.012 0.000 0.991 50 Y HN 0.483 nan 8.280 nan 0.000 0.556 51 G N -1.957 106.823 108.800 -0.033 0.000 2.231 51 G HA2 -0.249 3.715 3.960 0.005 0.000 0.206 51 G HA3 -0.249 3.715 3.960 0.005 0.000 0.206 51 G C 0.179 175.061 174.900 -0.031 0.000 0.996 51 G CA -0.190 44.836 45.100 -0.124 0.000 0.645 51 G HN 0.136 nan 8.290 nan 0.000 0.498 52 F N 1.153 121.183 119.950 0.134 0.000 2.496 52 F HA 0.559 5.089 4.527 0.006 0.000 0.344 52 F C 1.489 177.437 175.800 0.246 0.000 1.155 52 F CA 1.090 59.181 58.000 0.153 0.000 1.302 52 F CB 0.901 39.888 39.000 -0.022 0.000 1.159 52 F HN 0.234 nan 8.300 nan 0.000 0.595 53 E N 0.222 120.748 120.200 0.543 0.000 3.275 53 E HA 0.193 4.547 4.350 0.005 0.000 0.182 53 E C -0.312 176.628 176.600 0.567 0.000 1.217 53 E CA -0.215 56.457 56.400 0.454 0.000 1.276 53 E CB 0.572 30.442 29.700 0.283 0.000 1.980 53 E HN 0.308 nan 8.360 nan 0.000 0.516 54 K N 2.281 122.953 120.400 0.452 0.000 2.123 54 K HA 0.384 4.707 4.320 0.005 0.000 0.259 54 K C -2.522 174.279 176.600 0.336 0.000 0.960 54 K CA -2.077 54.411 56.287 0.335 0.000 0.872 54 K CB 1.432 34.034 32.500 0.170 0.000 1.079 54 K HN 0.194 nan 8.250 nan 0.000 0.440 55 P HA -0.023 nan 4.420 nan 0.000 0.271 55 P C -0.023 177.236 177.300 -0.068 0.000 1.216 55 P CA -0.071 62.797 63.100 -0.386 0.000 0.776 55 P CB 0.778 31.912 31.700 -0.943 0.000 0.881 56 S N 2.015 117.735 115.700 0.032 0.000 2.640 56 S HA 0.390 4.863 4.470 0.005 0.000 0.262 56 S C 1.645 176.256 174.600 0.019 0.000 1.232 56 S CA 0.002 58.247 58.200 0.076 0.000 0.988 56 S CB -0.036 63.247 63.200 0.138 0.000 1.034 56 S HN 0.530 nan 8.310 nan 0.000 0.569 57 A N 1.000 123.840 122.820 0.033 0.000 1.870 57 A HA -0.193 4.130 4.320 0.005 0.000 0.219 57 A C 2.153 179.748 177.584 0.019 0.000 1.286 57 A CA 2.150 54.197 52.037 0.017 0.000 0.682 57 A CB -1.544 17.471 19.000 0.026 0.000 0.844 57 A HN 0.905 nan 8.150 nan 0.000 0.460 58 I N -0.768 119.826 120.570 0.039 0.000 2.361 58 I HA -0.299 3.875 4.170 0.005 0.000 0.251 58 I C 2.689 178.822 176.117 0.028 0.000 1.133 58 I CA 1.853 63.182 61.300 0.048 0.000 1.413 58 I CB -0.297 37.743 38.000 0.066 0.000 1.073 58 I HN 0.533 nan 8.210 nan 0.000 0.424 59 Q N -0.000 119.795 119.800 -0.007 0.000 2.079 59 Q HA -0.236 4.107 4.340 0.005 0.000 0.200 59 Q C 2.015 177.960 176.000 -0.092 0.000 0.974 59 Q CA 1.334 57.101 55.803 -0.060 0.000 0.840 59 Q CB -0.058 28.611 28.738 -0.115 0.000 0.898 59 Q HN 0.593 nan 8.270 nan 0.000 0.430 60 Q N -0.105 119.636 119.800 -0.098 0.000 2.439 60 Q HA -0.120 4.223 4.340 0.005 0.000 0.211 60 Q C 1.375 177.385 176.000 0.016 0.000 0.978 60 Q CA 0.875 56.629 55.803 -0.081 0.000 0.897 60 Q CB 0.092 28.787 28.738 -0.072 0.000 0.956 60 Q HN 0.266 nan 8.270 nan 0.000 0.483 61 R N -1.450 119.092 120.500 0.070 0.000 2.369 61 R HA 0.243 4.586 4.340 0.005 0.000 0.210 61 R C 1.417 177.865 176.300 0.246 0.000 0.881 61 R CA 0.635 56.851 56.100 0.194 0.000 1.031 61 R CB 0.551 30.952 30.300 0.170 0.000 1.184 61 R HN 0.079 nan 8.270 nan 0.000 0.581 62 A N 0.489 123.380 122.820 0.118 0.000 2.108 62 A HA 0.217 4.540 4.320 0.005 0.000 0.206 62 A C 1.801 179.410 177.584 0.041 0.000 1.212 62 A CA -0.033 52.045 52.037 0.067 0.000 0.843 62 A CB 0.109 19.145 19.000 0.059 0.000 0.902 62 A HN 0.024 nan 8.150 nan 0.000 0.477 63 I N 0.071 120.667 120.570 0.045 0.000 2.113 63 I HA -0.269 3.904 4.170 0.005 0.000 0.238 63 I C 2.434 178.574 176.117 0.039 0.000 1.070 63 I CA 1.222 62.541 61.300 0.032 0.000 1.332 63 I CB -0.368 37.642 38.000 0.017 0.000 1.044 63 I HN 0.291 nan 8.210 nan 0.000 0.402 64 L N 0.557 121.823 121.223 0.072 0.000 1.951 64 L HA -0.229 4.115 4.340 0.005 0.000 0.222 64 L C -0.071 176.837 176.870 0.063 0.000 1.078 64 L CA 2.349 57.249 54.840 0.101 0.000 0.778 64 L CB -2.172 40.009 42.059 0.203 0.000 0.893 64 L HN 0.139 nan 8.230 nan 0.000 0.436 65 P HA -0.215 nan 4.420 nan 0.000 0.219 65 P C 1.805 179.093 177.300 -0.019 0.000 1.158 65 P CA 1.858 64.877 63.100 -0.134 0.000 0.895 65 P CB -0.143 31.264 31.700 -0.487 0.000 0.792 66 C N -1.304 117.976 119.300 -0.033 0.000 2.491 66 C HA -0.116 4.347 4.460 0.005 0.000 0.283 66 C C 2.642 177.607 174.990 -0.041 0.000 1.238 66 C CA 0.500 59.506 59.018 -0.021 0.000 1.735 66 C CB -1.725 26.022 27.740 0.012 0.000 2.080 66 C HN 0.185 nan 8.230 nan 0.000 0.463 67 I N 0.692 121.249 120.570 -0.022 0.000 2.182 67 I HA -0.332 3.841 4.170 0.005 0.000 0.248 67 I C 2.264 178.333 176.117 -0.080 0.000 1.073 67 I CA 1.766 63.047 61.300 -0.031 0.000 1.335 67 I CB -0.429 37.568 38.000 -0.004 0.000 1.031 67 I HN 0.465 nan 8.210 nan 0.000 0.420 68 K N 0.149 120.478 120.400 -0.118 0.000 2.525 68 K HA 0.036 4.359 4.320 0.005 0.000 0.192 68 K C 1.301 177.623 176.600 -0.464 0.000 1.029 68 K CA 0.678 56.814 56.287 -0.251 0.000 1.029 68 K CB 0.160 32.539 32.500 -0.201 0.000 0.814 68 K HN 0.577 nan 8.250 nan 0.000 0.503 69 G N 0.329 108.935 108.800 -0.323 0.000 2.213 69 G HA2 -0.270 3.693 3.960 0.005 0.000 0.236 69 G HA3 -0.270 3.693 3.960 0.005 0.000 0.236 69 G C -0.192 174.552 174.900 -0.260 0.000 0.991 69 G CA -0.230 44.702 45.100 -0.279 0.000 0.629 69 G HN 0.191 nan 8.290 nan 0.000 0.517 70 Y N 2.306 122.554 120.300 -0.087 0.000 2.597 70 Y HA 0.364 4.922 4.550 0.013 0.000 0.336 70 Y C 0.968 176.817 175.900 -0.085 0.000 1.216 70 Y CA -0.450 57.588 58.100 -0.104 0.000 1.463 70 Y CB 0.301 38.645 38.460 -0.193 0.000 1.303 70 Y HN 0.073 nan 8.280 nan 0.000 0.576 71 D N 1.800 122.267 120.400 0.111 0.000 2.455 71 D HA 0.236 4.880 4.640 0.005 0.000 0.241 71 D C -0.633 175.679 176.300 0.020 0.000 1.138 71 D CA 0.280 54.315 54.000 0.059 0.000 0.877 71 D CB 0.944 41.783 40.800 0.065 0.000 1.187 71 D HN 0.171 nan 8.370 nan 0.000 0.451 72 V N 3.343 123.255 119.914 -0.004 0.000 2.735 72 V HA 0.415 4.539 4.120 0.005 0.000 0.310 72 V C 0.003 176.082 176.094 -0.025 0.000 1.061 72 V CA -0.936 61.339 62.300 -0.041 0.000 0.913 72 V CB 2.323 34.111 31.823 -0.058 0.000 1.005 72 V HN 0.464 nan 8.190 nan 0.000 0.428 73 I N 3.443 124.000 120.570 -0.021 0.000 2.466 73 I HA 0.825 4.998 4.170 0.005 0.000 0.279 73 I C -0.264 175.856 176.117 0.005 0.000 1.033 73 I CA -0.490 60.807 61.300 -0.006 0.000 1.123 73 I CB 1.226 39.230 38.000 0.007 0.000 1.237 73 I HN 0.684 nan 8.210 nan 0.000 0.460 74 A N 6.608 129.433 122.820 0.009 0.000 2.249 74 A HA 0.407 4.730 4.320 0.005 0.000 0.314 74 A C -0.289 177.315 177.584 0.033 0.000 1.290 74 A CA -0.520 51.535 52.037 0.030 0.000 0.893 74 A CB 0.875 19.902 19.000 0.044 0.000 1.165 74 A HN 0.823 nan 8.150 nan 0.000 0.530 75 Q N 2.431 122.255 119.800 0.040 0.000 2.456 75 Q HA 0.589 4.932 4.340 0.005 0.000 0.234 75 Q C -0.554 175.475 176.000 0.049 0.000 1.061 75 Q CA -0.201 55.627 55.803 0.041 0.000 0.896 75 Q CB 0.575 29.336 28.738 0.038 0.000 1.233 75 Q HN 0.896 nan 8.270 nan 0.000 0.506 76 A N 3.357 126.211 122.820 0.055 0.000 2.539 76 A HA 0.505 4.828 4.320 0.005 0.000 0.296 76 A C -1.003 176.623 177.584 0.071 0.000 1.073 76 A CA -0.854 51.222 52.037 0.065 0.000 0.700 76 A CB 1.605 20.651 19.000 0.076 0.000 1.296 76 A HN 0.634 nan 8.150 nan 0.000 0.405 77 Q N 0.650 120.495 119.800 0.074 0.000 2.479 77 Q HA 0.108 4.451 4.340 0.005 0.000 0.267 77 Q C 0.631 176.687 176.000 0.094 0.000 1.071 77 Q CA 0.348 56.199 55.803 0.080 0.000 0.935 77 Q CB 0.467 29.253 28.738 0.081 0.000 1.295 77 Q HN 0.739 nan 8.270 nan 0.000 0.476 78 S N 0.355 116.113 115.700 0.096 0.000 2.575 78 S HA 0.135 4.608 4.470 0.005 0.000 0.295 78 S C 0.443 175.113 174.600 0.118 0.000 1.267 78 S CA 0.140 58.402 58.200 0.104 0.000 1.074 78 S CB 0.046 63.306 63.200 0.100 0.000 0.829 78 S HN 0.610 nan 8.310 nan 0.000 0.497 79 G N 3.957 112.835 108.800 0.131 0.000 2.568 79 G HA2 0.229 4.193 3.960 0.005 0.000 0.231 79 G HA3 0.229 4.193 3.960 0.005 0.000 0.231 79 G C 0.700 175.682 174.900 0.137 0.000 1.261 79 G CA 0.080 45.266 45.100 0.143 0.000 0.855 79 G HN 0.772 nan 8.290 nan 0.000 0.576 80 T N -0.185 114.462 114.554 0.156 0.000 3.174 80 T HA 0.471 4.824 4.350 0.005 0.000 0.252 80 T C 1.682 176.523 174.700 0.236 0.000 0.984 80 T CA 1.195 63.402 62.100 0.179 0.000 1.113 80 T CB 0.236 69.212 68.868 0.181 0.000 1.088 80 T HN 1.730 nan 8.240 nan 0.000 0.442 81 G N 1.471 110.452 108.800 0.303 0.000 2.698 81 G HA2 -0.200 3.763 3.960 0.005 0.000 0.200 81 G HA3 -0.200 3.763 3.960 0.005 0.000 0.200 81 G C 0.989 175.971 174.900 0.135 0.000 2.083 81 G CA 0.535 45.811 45.100 0.293 0.000 1.629 81 G HN 0.343 nan 8.290 nan 0.000 0.565 82 K N 0.930 121.405 120.400 0.125 0.000 2.103 82 K HA 0.017 4.340 4.320 0.005 0.000 0.204 82 K C 2.469 179.108 176.600 0.066 0.000 1.052 82 K CA 2.208 58.567 56.287 0.120 0.000 0.945 82 K CB -0.623 31.971 32.500 0.156 0.000 0.722 82 K HN 0.450 nan 8.250 nan 0.000 0.443 83 T N 1.239 115.801 114.554 0.014 0.000 2.708 83 T HA -0.102 4.251 4.350 0.005 0.000 0.266 83 T C 1.892 176.220 174.700 -0.621 0.000 1.037 83 T CA 1.521 63.449 62.100 -0.287 0.000 1.146 83 T CB -0.347 68.474 68.868 -0.079 0.000 0.865 83 T HN 0.380 nan 8.240 nan 0.000 0.435 84 A N 1.016 123.690 122.820 -0.243 0.000 2.139 84 A HA -0.132 4.191 4.320 0.005 0.000 0.221 84 A C 2.386 179.785 177.584 -0.308 0.000 1.159 84 A CA 1.858 53.749 52.037 -0.243 0.000 0.662 84 A CB -1.024 17.946 19.000 -0.050 0.000 0.796 84 A HN 0.491 nan 8.150 nan 0.000 0.463 85 T N -0.098 114.290 114.554 -0.276 0.000 2.739 85 T HA -0.011 4.342 4.350 0.005 0.000 0.249 85 T C 1.578 176.214 174.700 -0.106 0.000 1.050 85 T CA 1.501 63.528 62.100 -0.122 0.000 1.165 85 T CB -0.542 68.333 68.868 0.012 0.000 0.872 85 T HN 0.738 nan 8.240 nan 0.000 0.411 86 F N 2.206 122.146 119.950 -0.018 0.000 2.202 86 F HA 0.161 4.691 4.527 0.004 0.000 0.301 86 F C 2.457 178.240 175.800 -0.028 0.000 1.082 86 F CA 0.449 58.433 58.000 -0.026 0.000 1.313 86 F CB -1.205 37.774 39.000 -0.034 0.000 1.024 86 F HN 0.130 nan 8.300 nan 0.000 0.495 87 A N 1.698 124.154 122.820 -0.607 0.000 1.908 87 A HA -0.117 4.207 4.320 0.005 0.000 0.218 87 A C 2.387 179.870 177.584 -0.168 0.000 1.181 87 A CA 2.038 53.870 52.037 -0.341 0.000 0.627 87 A CB -1.248 17.493 19.000 -0.432 0.000 0.818 87 A HN 0.555 nan 8.150 nan 0.000 0.445 88 I N 0.549 121.015 120.570 -0.172 0.000 2.315 88 I HA -0.221 3.952 4.170 0.005 0.000 0.248 88 I C 2.665 178.754 176.117 -0.047 0.000 1.117 88 I CA 1.603 62.838 61.300 -0.109 0.000 1.404 88 I CB -0.162 37.778 38.000 -0.102 0.000 1.071 88 I HN 0.508 nan 8.210 nan 0.000 0.419 89 S N 1.226 116.914 115.700 -0.019 0.000 2.425 89 S HA -0.011 4.462 4.470 0.005 0.000 0.225 89 S C 1.966 176.577 174.600 0.019 0.000 1.024 89 S CA 0.361 58.566 58.200 0.009 0.000 0.951 89 S CB -0.526 62.690 63.200 0.026 0.000 0.796 89 S HN 0.484 nan 8.310 nan 0.000 0.498 90 I N 0.114 120.709 120.570 0.041 0.000 2.454 90 I HA -0.036 4.137 4.170 0.005 0.000 0.254 90 I C 2.154 178.284 176.117 0.021 0.000 1.156 90 I CA 1.171 62.500 61.300 0.049 0.000 1.433 90 I CB -0.859 37.195 38.000 0.090 0.000 1.082 90 I HN 0.239 nan 8.210 nan 0.000 0.432 91 L N 0.657 121.881 121.223 0.001 0.000 2.209 91 L HA -0.108 4.235 4.340 0.005 0.000 0.207 91 L C 2.687 179.551 176.870 -0.012 0.000 1.094 91 L CA 0.865 55.701 54.840 -0.007 0.000 0.790 91 L CB -0.320 41.725 42.059 -0.023 0.000 0.932 91 L HN 0.266 nan 8.230 nan 0.000 0.447 92 Q N 0.042 119.834 119.800 -0.012 0.000 2.364 92 Q HA -0.193 4.150 4.340 0.005 0.000 0.207 92 Q C 1.855 177.847 176.000 -0.014 0.000 0.970 92 Q CA 1.483 57.279 55.803 -0.011 0.000 0.888 92 Q CB 0.105 28.839 28.738 -0.007 0.000 0.951 92 Q HN 0.448 nan 8.270 nan 0.000 0.469 93 Q N -0.856 118.935 119.800 -0.014 0.000 2.378 93 Q HA 0.167 4.511 4.340 0.005 0.000 0.216 93 Q C -0.230 175.752 176.000 -0.030 0.000 0.892 93 Q CA -0.418 55.374 55.803 -0.019 0.000 0.931 93 Q CB 0.648 29.379 28.738 -0.012 0.000 1.086 93 Q HN 0.313 nan 8.270 nan 0.000 0.528 94 I N 2.278 122.823 120.570 -0.042 0.000 2.752 94 I HA -0.085 4.088 4.170 0.005 0.000 0.287 94 I C 0.427 176.471 176.117 -0.122 0.000 1.188 94 I CA 0.850 62.096 61.300 -0.091 0.000 1.427 94 I CB 0.477 38.403 38.000 -0.125 0.000 1.365 94 I HN 0.119 nan 8.210 nan 0.000 0.585 95 E N 6.703 126.812 120.200 -0.151 0.000 1.936 95 E HA 0.130 4.483 4.350 0.005 0.000 0.267 95 E C 1.121 177.587 176.600 -0.223 0.000 1.076 95 E CA -0.249 56.073 56.400 -0.130 0.000 0.870 95 E CB 0.695 30.354 29.700 -0.067 0.000 1.093 95 E HN 0.481 nan 8.360 nan 0.000 0.411 96 L N 2.379 123.490 121.223 -0.185 0.000 2.034 96 L HA -0.311 4.032 4.340 0.005 0.000 0.217 96 L C 2.350 179.178 176.870 -0.069 0.000 1.077 96 L CA 1.683 56.432 54.840 -0.151 0.000 0.769 96 L CB -0.517 41.525 42.059 -0.028 0.000 0.890 96 L HN 0.611 nan 8.230 nan 0.000 0.435 97 D N 0.638 121.017 120.400 -0.035 0.000 2.228 97 D HA -0.218 4.425 4.640 0.005 0.000 0.203 97 D C 0.983 177.294 176.300 0.018 0.000 0.988 97 D CA 0.813 54.815 54.000 0.003 0.000 0.864 97 D CB -0.024 40.778 40.800 0.002 0.000 0.928 97 D HN 0.287 nan 8.370 nan 0.000 0.469 98 L N 0.767 121.988 121.223 -0.005 0.000 2.257 98 L HA 0.254 4.598 4.340 0.005 0.000 0.290 98 L C 0.095 177.007 176.870 0.071 0.000 1.044 98 L CA -0.648 54.207 54.840 0.025 0.000 0.810 98 L CB 0.964 43.047 42.059 0.041 0.000 1.193 98 L HN -0.286 nan 8.230 nan 0.000 0.425 99 K N 5.256 125.695 120.400 0.065 0.000 2.307 99 K HA 0.576 4.899 4.320 0.005 0.000 0.240 99 K C -1.017 175.580 176.600 -0.006 0.000 1.214 99 K CA -0.018 56.324 56.287 0.091 0.000 1.149 99 K CB 0.122 32.632 32.500 0.016 0.000 1.668 99 K HN 0.754 nan 8.250 nan 0.000 0.314 100 A N 0.949 123.793 122.820 0.040 0.000 2.605 100 A HA 0.214 4.537 4.320 0.005 0.000 0.294 100 A C -0.706 176.901 177.584 0.038 0.000 1.062 100 A CA -0.757 51.223 52.037 -0.095 0.000 0.682 100 A CB 1.357 20.097 19.000 -0.434 0.000 1.278 100 A HN 0.323 nan 8.150 nan 0.000 0.410 101 T N 0.500 115.069 114.554 0.024 0.000 2.769 101 T HA 0.339 4.692 4.350 0.005 0.000 0.293 101 T C 0.604 175.375 174.700 0.119 0.000 0.931 101 T CA 0.566 62.719 62.100 0.089 0.000 1.139 101 T CB 0.102 69.004 68.868 0.056 0.000 0.881 101 T HN 0.589 nan 8.240 nan 0.000 0.532 102 Q N 3.193 123.073 119.800 0.133 0.000 2.423 102 Q HA 0.389 4.732 4.340 0.005 0.000 0.231 102 Q C 0.552 176.611 176.000 0.097 0.000 0.894 102 Q CA -0.016 55.857 55.803 0.117 0.000 0.938 102 Q CB 0.773 29.559 28.738 0.079 0.000 1.079 102 Q HN 0.788 nan 8.270 nan 0.000 0.552 103 A N 1.168 124.049 122.820 0.101 0.000 2.356 103 A HA 0.617 4.940 4.320 0.005 0.000 0.310 103 A C -1.652 175.995 177.584 0.105 0.000 1.075 103 A CA -0.541 51.555 52.037 0.098 0.000 0.746 103 A CB 1.276 20.330 19.000 0.090 0.000 1.221 103 A HN 0.152 nan 8.150 nan 0.000 0.443 104 L N 3.459 124.757 121.223 0.126 0.000 2.343 104 L HA 0.744 5.087 4.340 0.005 0.000 0.278 104 L C -0.827 176.101 176.870 0.097 0.000 0.996 104 L CA -0.567 54.353 54.840 0.134 0.000 0.831 104 L CB 1.647 43.811 42.059 0.174 0.000 1.232 104 L HN 0.835 nan 8.230 nan 0.000 0.413 105 V N 6.410 126.338 119.914 0.024 0.000 2.495 105 V HA 0.639 4.762 4.120 0.005 0.000 0.298 105 V C -1.396 174.625 176.094 -0.122 0.000 1.031 105 V CA -0.554 61.690 62.300 -0.094 0.000 0.871 105 V CB 1.831 33.624 31.823 -0.048 0.000 0.988 105 V HN 0.675 nan 8.190 nan 0.000 0.432 106 L N 6.611 127.690 121.223 -0.240 0.000 2.296 106 L HA 0.916 5.259 4.340 0.005 0.000 0.286 106 L C 0.435 177.189 176.870 -0.194 0.000 1.023 106 L CA 0.203 54.915 54.840 -0.213 0.000 0.812 106 L CB 1.077 42.974 42.059 -0.271 0.000 1.223 106 L HN 1.004 nan 8.230 nan 0.000 0.421 107 A N 5.719 128.460 122.820 -0.131 0.000 2.386 107 A HA 0.894 5.218 4.320 0.005 0.000 0.308 107 A C -2.151 175.414 177.584 -0.031 0.000 1.128 107 A CA -1.136 50.860 52.037 -0.068 0.000 0.789 107 A CB 1.323 20.313 19.000 -0.017 0.000 1.325 107 A HN 0.565 nan 8.150 nan 0.000 0.437 108 P HA 0.078 nan 4.420 nan 0.000 0.240 108 P C 0.268 177.690 177.300 0.203 0.000 1.190 108 P CA 1.073 64.273 63.100 0.167 0.000 0.781 108 P CB 0.127 31.909 31.700 0.137 0.000 0.931 109 T N -4.509 110.113 114.554 0.114 0.000 2.868 109 T HA 0.418 4.772 4.350 0.005 0.000 0.306 109 T C 0.953 175.690 174.700 0.061 0.000 1.224 109 T CA -0.901 61.260 62.100 0.102 0.000 1.012 109 T CB 2.112 71.025 68.868 0.075 0.000 1.221 109 T HN -0.247 nan 8.240 nan 0.000 0.499 110 R N 0.186 120.719 120.500 0.054 0.000 2.070 110 R HA -0.086 4.257 4.340 0.005 0.000 0.233 110 R C 2.171 178.481 176.300 0.016 0.000 1.137 110 R CA 1.383 57.499 56.100 0.025 0.000 0.945 110 R CB -0.294 30.020 30.300 0.023 0.000 0.845 110 R HN 0.666 nan 8.270 nan 0.000 0.430 111 E N 0.923 121.137 120.200 0.024 0.000 2.086 111 E HA -0.232 4.122 4.350 0.005 0.000 0.200 111 E C 1.967 178.581 176.600 0.023 0.000 1.012 111 E CA 1.268 57.681 56.400 0.020 0.000 0.812 111 E CB -0.192 29.523 29.700 0.025 0.000 0.743 111 E HN 0.250 nan 8.360 nan 0.000 0.453 112 L N -0.377 120.866 121.223 0.033 0.000 2.270 112 L HA 0.024 4.367 4.340 0.005 0.000 0.210 112 L C 2.173 179.066 176.870 0.038 0.000 1.104 112 L CA 0.973 55.838 54.840 0.041 0.000 0.804 112 L CB -0.118 41.971 42.059 0.051 0.000 0.937 112 L HN 0.037 nan 8.230 nan 0.000 0.450 113 A N -0.788 122.044 122.820 0.020 0.000 1.930 113 A HA -0.252 4.072 4.320 0.005 0.000 0.217 113 A C 2.150 179.732 177.584 -0.002 0.000 1.175 113 A CA 1.610 53.651 52.037 0.006 0.000 0.627 113 A CB -0.462 18.526 19.000 -0.020 0.000 0.815 113 A HN 0.487 nan 8.150 nan 0.000 0.443 114 Q N -0.308 119.486 119.800 -0.010 0.000 2.084 114 Q HA -0.213 4.130 4.340 0.005 0.000 0.202 114 Q C 2.099 178.098 176.000 -0.002 0.000 0.978 114 Q CA 2.214 58.005 55.803 -0.020 0.000 0.844 114 Q CB -0.271 28.457 28.738 -0.016 0.000 0.898 114 Q HN 0.762 nan 8.270 nan 0.000 0.426 115 Q N -0.688 119.122 119.800 0.017 0.000 2.187 115 Q HA -0.017 4.326 4.340 0.005 0.000 0.199 115 Q C 1.979 177.996 176.000 0.028 0.000 0.957 115 Q CA 1.051 56.869 55.803 0.026 0.000 0.857 115 Q CB 0.032 28.793 28.738 0.039 0.000 0.929 115 Q HN 0.420 nan 8.270 nan 0.000 0.453 116 I N 0.970 121.568 120.570 0.046 0.000 2.194 116 I HA -0.359 3.814 4.170 0.005 0.000 0.246 116 I C 2.477 178.604 176.117 0.017 0.000 1.093 116 I CA 1.671 63.007 61.300 0.060 0.000 1.355 116 I CB -0.143 37.940 38.000 0.139 0.000 1.046 116 I HN 0.302 nan 8.210 nan 0.000 0.413 117 Q N 1.108 120.913 119.800 0.009 0.000 2.297 117 Q HA -0.151 4.193 4.340 0.005 0.000 0.204 117 Q C 1.780 177.770 176.000 -0.018 0.000 0.962 117 Q CA 1.361 57.160 55.803 -0.007 0.000 0.879 117 Q CB -0.249 28.474 28.738 -0.024 0.000 0.947 117 Q HN 0.355 nan 8.270 nan 0.000 0.462 118 K N 0.026 120.418 120.400 -0.012 0.000 2.062 118 K HA -0.016 4.307 4.320 0.005 0.000 0.205 118 K C 2.031 178.614 176.600 -0.028 0.000 1.051 118 K CA 1.252 57.535 56.287 -0.007 0.000 0.941 118 K CB -0.110 32.398 32.500 0.013 0.000 0.719 118 K HN 0.055 nan 8.250 nan 0.000 0.440 119 V N 1.370 121.253 119.914 -0.051 0.000 2.343 119 V HA -0.235 3.888 4.120 0.005 0.000 0.247 119 V C 2.298 178.269 176.094 -0.206 0.000 1.051 119 V CA 1.485 63.690 62.300 -0.159 0.000 1.036 119 V CB -0.278 31.454 31.823 -0.151 0.000 0.654 119 V HN 0.088 nan 8.190 nan 0.000 0.451 120 V N -0.660 119.177 119.914 -0.128 0.000 2.233 120 V HA -0.326 3.797 4.120 0.005 0.000 0.247 120 V C 2.526 178.566 176.094 -0.090 0.000 1.050 120 V CA 2.182 64.418 62.300 -0.106 0.000 1.010 120 V CB -0.649 31.148 31.823 -0.043 0.000 0.637 120 V HN 0.405 nan 8.190 nan 0.000 0.444 121 M N -0.254 119.310 119.600 -0.061 0.000 2.195 121 M HA -0.201 4.282 4.480 0.005 0.000 0.260 121 M C 2.280 178.534 176.300 -0.077 0.000 1.066 121 M CA 2.201 57.469 55.300 -0.053 0.000 1.089 121 M CB -1.663 30.916 32.600 -0.035 0.000 1.377 121 M HN 0.454 nan 8.290 nan 0.000 0.411 122 A N 0.186 122.949 122.820 -0.095 0.000 1.855 122 A HA -0.113 4.210 4.320 0.005 0.000 0.215 122 A C 2.279 179.797 177.584 -0.110 0.000 1.191 122 A CA 1.349 53.337 52.037 -0.082 0.000 0.613 122 A CB -0.855 18.091 19.000 -0.090 0.000 0.829 122 A HN 0.479 nan 8.150 nan 0.000 0.442 123 L N -0.671 120.433 121.223 -0.198 0.000 2.156 123 L HA -0.008 4.335 4.340 0.005 0.000 0.208 123 L C 2.455 179.284 176.870 -0.068 0.000 1.095 123 L CA 0.799 55.552 54.840 -0.145 0.000 0.770 123 L CB -0.489 41.441 42.059 -0.215 0.000 0.914 123 L HN 0.469 nan 8.230 nan 0.000 0.439 124 G N -1.027 107.726 108.800 -0.077 0.000 3.061 124 G HA2 -0.182 3.781 3.960 0.005 0.000 0.208 124 G HA3 -0.182 3.781 3.960 0.005 0.000 0.208 124 G C 0.998 175.868 174.900 -0.049 0.000 1.175 124 G CA 0.220 45.297 45.100 -0.038 0.000 0.812 124 G HN 0.261 nan 8.290 nan 0.000 0.523 125 D N 0.672 121.004 120.400 -0.114 0.000 2.097 125 D HA -0.152 4.491 4.640 0.005 0.000 0.195 125 D C 1.435 177.552 176.300 -0.304 0.000 0.989 125 D CA 0.933 54.766 54.000 -0.278 0.000 0.827 125 D CB -0.115 40.393 40.800 -0.487 0.000 0.966 125 D HN 0.444 nan 8.370 nan 0.000 0.456 126 Y N -0.377 119.927 120.300 0.007 0.000 2.490 126 Y HA 0.249 4.802 4.550 0.005 0.000 0.281 126 Y C 0.554 176.461 175.900 0.012 0.000 1.174 126 Y CA -0.158 57.949 58.100 0.012 0.000 1.295 126 Y CB -0.384 38.086 38.460 0.016 0.000 1.062 126 Y HN -0.059 nan 8.280 nan 0.000 0.522 127 M N -1.080 118.587 119.600 0.111 0.000 2.537 127 M HA 0.483 4.967 4.480 0.005 0.000 0.324 127 M C 1.301 177.636 176.300 0.057 0.000 1.187 127 M CA -0.485 54.862 55.300 0.077 0.000 0.993 127 M CB 1.136 33.772 32.600 0.059 0.000 1.666 127 M HN 0.098 nan 8.290 nan 0.000 0.461 128 G N 1.261 110.100 108.800 0.066 0.000 3.135 128 G HA2 0.264 4.228 3.960 0.005 0.000 0.208 128 G HA3 0.264 4.228 3.960 0.005 0.000 0.208 128 G C 0.469 175.440 174.900 0.120 0.000 1.212 128 G CA -0.099 45.046 45.100 0.075 0.000 0.928 128 G HN 0.873 nan 8.290 nan 0.000 0.500 129 A N 0.431 123.320 122.820 0.115 0.000 2.511 129 A HA 0.513 4.836 4.320 0.005 0.000 0.242 129 A C 0.818 178.474 177.584 0.121 0.000 1.069 129 A CA 0.416 52.570 52.037 0.194 0.000 0.763 129 A CB 0.399 19.465 19.000 0.111 0.000 1.001 129 A HN 0.790 nan 8.150 nan 0.000 0.498 130 S N 1.619 117.387 115.700 0.114 0.000 2.474 130 S HA 0.513 4.986 4.470 0.005 0.000 0.321 130 S C -0.701 173.880 174.600 -0.033 0.000 1.080 130 S CA -0.547 57.586 58.200 -0.111 0.000 1.106 130 S CB 0.641 63.570 63.200 -0.452 0.000 0.984 130 S HN 1.374 nan 8.310 nan 0.000 0.464 131 C N 4.545 123.851 119.300 0.009 0.000 2.698 131 C HA 0.826 5.289 4.460 0.005 0.000 0.309 131 C C -1.311 173.741 174.990 0.103 0.000 1.186 131 C CA -0.310 58.742 59.018 0.055 0.000 1.474 131 C CB 0.792 28.558 27.740 0.043 0.000 2.020 131 C HN 1.137 nan 8.230 nan 0.000 0.474 132 H N 2.595 121.658 119.070 -0.010 0.000 2.856 132 H HA 0.694 5.253 4.556 0.005 0.000 0.355 132 H C -0.468 174.859 175.328 -0.000 0.000 1.079 132 H CA 0.588 56.629 56.048 -0.013 0.000 1.240 132 H CB 1.716 31.463 29.762 -0.025 0.000 1.701 132 H HN 1.036 nan 8.280 nan 0.000 0.527 133 A N 3.007 125.480 122.820 -0.579 0.000 2.281 133 A HA 0.659 4.982 4.320 0.005 0.000 0.329 133 A C -0.615 176.635 177.584 -0.556 0.000 1.122 133 A CA -0.483 51.321 52.037 -0.388 0.000 0.850 133 A CB 0.693 19.565 19.000 -0.213 0.000 1.207 133 A HN 0.762 nan 8.150 nan 0.000 0.495 134 C N 0.304 119.463 119.300 -0.234 0.000 2.493 134 C HA 0.881 5.345 4.460 0.005 0.000 0.326 134 C C -0.194 174.764 174.990 -0.053 0.000 1.200 134 C CA -0.125 58.821 59.018 -0.120 0.000 1.739 134 C CB -0.252 27.476 27.740 -0.020 0.000 2.300 134 C HN 0.690 nan 8.230 nan 0.000 0.500 135 I N 0.101 120.666 120.570 -0.008 0.000 3.016 135 I HA 0.626 4.799 4.170 0.005 0.000 0.307 135 I C 0.311 176.440 176.117 0.020 0.000 1.516 135 I CA -0.515 60.789 61.300 0.006 0.000 0.938 135 I CB 1.294 39.289 38.000 -0.009 0.000 1.335 135 I HN 0.826 nan 8.210 nan 0.000 0.553 136 G N 0.692 109.503 108.800 0.019 0.000 2.186 136 G HA2 0.332 4.296 3.960 0.005 0.000 0.130 136 G HA3 0.332 4.296 3.960 0.005 0.000 0.130 136 G C 0.337 175.243 174.900 0.011 0.000 1.031 136 G CA -0.106 45.003 45.100 0.016 0.000 0.697 136 G HN 1.837 nan 8.290 nan 0.000 0.494 137 G N -1.543 107.264 108.800 0.011 0.000 4.470 137 G HA2 0.292 4.255 3.960 0.005 0.000 0.220 137 G HA3 0.292 4.255 3.960 0.005 0.000 0.220 137 G C 0.887 175.792 174.900 0.007 0.000 0.780 137 G CA 1.518 46.625 45.100 0.012 0.000 0.977 137 G HN 1.340 nan 8.290 nan 0.000 0.749 138 T N 1.228 115.786 114.554 0.005 0.000 2.708 138 T HA -0.035 4.318 4.350 0.005 0.000 0.266 138 T C 1.037 175.736 174.700 -0.003 0.000 1.037 138 T CA 1.722 63.823 62.100 0.002 0.000 1.146 138 T CB -0.360 68.509 68.868 0.002 0.000 0.865 138 T HN 0.458 nan 8.240 nan 0.000 0.435 139 N N 1.314 120.011 118.700 -0.004 0.000 2.976 139 N HA 0.283 5.027 4.740 0.005 0.000 0.255 139 N C 0.415 175.917 175.510 -0.013 0.000 1.312 139 N CA -0.256 52.788 53.050 -0.011 0.000 0.897 139 N CB 1.768 40.248 38.487 -0.012 0.000 1.184 139 N HN 0.120 nan 8.380 nan 0.000 0.497 140 V N 1.621 121.525 119.914 -0.017 0.000 2.446 140 V HA -0.125 3.998 4.120 0.005 0.000 0.244 140 V C 2.481 178.535 176.094 -0.066 0.000 1.039 140 V CA 1.138 63.422 62.300 -0.026 0.000 1.045 140 V CB -0.298 31.517 31.823 -0.013 0.000 0.681 140 V HN 0.543 nan 8.190 nan 0.000 0.459 141 R N 0.345 120.808 120.500 -0.062 0.000 2.159 141 R HA -0.311 4.032 4.340 0.005 0.000 0.249 141 R C 2.289 178.529 176.300 -0.099 0.000 1.136 141 R CA 2.052 58.103 56.100 -0.082 0.000 0.951 141 R CB -0.804 29.464 30.300 -0.053 0.000 0.876 141 R HN 0.556 nan 8.270 nan 0.000 0.440 142 A N 0.650 123.427 122.820 -0.071 0.000 1.897 142 A HA -0.135 4.188 4.320 0.005 0.000 0.215 142 A C 2.008 179.539 177.584 -0.089 0.000 1.181 142 A CA 0.951 52.945 52.037 -0.073 0.000 0.620 142 A CB -0.326 18.646 19.000 -0.047 0.000 0.821 142 A HN 0.310 nan 8.150 nan 0.000 0.443 143 E N -0.280 119.882 120.200 -0.063 0.000 2.097 143 E HA -0.158 4.195 4.350 0.005 0.000 0.196 143 E C 2.006 178.531 176.600 -0.125 0.000 1.000 143 E CA 1.566 57.940 56.400 -0.043 0.000 0.804 143 E CB -0.128 29.595 29.700 0.039 0.000 0.740 143 E HN 0.391 nan 8.360 nan 0.000 0.454 144 V N 0.455 120.248 119.914 -0.202 0.000 2.302 144 V HA -0.232 3.892 4.120 0.005 0.000 0.243 144 V C 2.377 178.274 176.094 -0.327 0.000 1.036 144 V CA 1.703 63.774 62.300 -0.381 0.000 1.020 144 V CB -0.401 30.991 31.823 -0.718 0.000 0.657 144 V HN 0.237 nan 8.190 nan 0.000 0.453 145 Q N -0.297 119.351 119.800 -0.254 0.000 2.325 145 Q HA -0.251 4.092 4.340 0.005 0.000 0.211 145 Q C 2.171 178.080 176.000 -0.152 0.000 0.988 145 Q CA 1.731 57.428 55.803 -0.177 0.000 0.887 145 Q CB -0.061 28.601 28.738 -0.127 0.000 0.915 145 Q HN 0.525 nan 8.270 nan 0.000 0.440 146 K N 0.114 120.410 120.400 -0.173 0.000 2.005 146 K HA -0.103 4.220 4.320 0.005 0.000 0.214 146 K C 1.836 178.330 176.600 -0.176 0.000 1.030 146 K CA 0.916 57.090 56.287 -0.188 0.000 0.955 146 K CB -0.456 31.887 32.500 -0.263 0.000 0.767 146 K HN 0.227 nan 8.250 nan 0.000 0.446 147 L N 0.334 121.436 121.223 -0.201 0.000 2.349 147 L HA -0.280 4.063 4.340 0.005 0.000 0.224 147 L C 1.100 177.937 176.870 -0.055 0.000 1.102 147 L CA 1.638 56.409 54.840 -0.115 0.000 0.833 147 L CB -0.292 41.742 42.059 -0.043 0.000 0.903 147 L HN 0.561 nan 8.230 nan 0.000 0.450 148 Q N 0.168 119.939 119.800 -0.048 0.000 2.418 148 Q HA 0.385 4.728 4.340 0.005 0.000 0.240 148 Q C -1.866 174.114 176.000 -0.034 0.000 0.859 148 Q CA -0.441 55.352 55.803 -0.017 0.000 0.916 148 Q CB 1.503 30.274 28.738 0.054 0.000 1.448 148 Q HN 0.193 nan 8.270 nan 0.000 0.439 149 M N 2.129 121.698 119.600 -0.052 0.000 2.183 149 M HA 0.643 5.126 4.480 0.005 0.000 0.277 149 M C -1.465 174.792 176.300 -0.071 0.000 0.995 149 M CA -0.417 54.849 55.300 -0.056 0.000 0.969 149 M CB 1.871 34.446 32.600 -0.040 0.000 1.659 149 M HN 0.443 nan 8.290 nan 0.000 0.462 150 E N 1.798 121.945 120.200 -0.088 0.000 2.388 150 E HA 0.831 5.184 4.350 0.005 0.000 0.282 150 E C -0.731 175.797 176.600 -0.119 0.000 1.026 150 E CA -0.743 55.601 56.400 -0.093 0.000 0.820 150 E CB 1.266 30.919 29.700 -0.079 0.000 1.226 150 E HN 1.588 nan 8.360 nan 0.000 0.432 151 A N 0.225 122.975 122.820 -0.116 0.000 4.307 151 A HA -0.004 4.319 4.320 0.005 0.000 0.183 151 A C -2.398 175.124 177.584 -0.104 0.000 1.222 151 A CA -0.301 51.680 52.037 -0.094 0.000 0.957 151 A CB -2.093 16.851 19.000 -0.093 0.000 0.929 151 A HN 0.433 nan 8.150 nan 0.000 0.572 152 P HA 0.076 nan 4.420 nan 0.000 0.264 152 P C 0.911 178.195 177.300 -0.028 0.000 1.179 152 P CA 0.762 63.793 63.100 -0.116 0.000 0.763 152 P CB 0.046 31.732 31.700 -0.023 0.000 0.806 153 H N 1.121 120.197 119.070 0.009 0.000 2.395 153 H HA 0.098 4.657 4.556 0.005 0.000 0.299 153 H C 0.720 176.070 175.328 0.036 0.000 1.070 153 H CA 0.443 56.502 56.048 0.018 0.000 1.356 153 H CB 0.101 29.873 29.762 0.017 0.000 1.401 153 H HN 0.292 nan 8.280 nan 0.000 0.524 154 I N 1.952 122.622 120.570 0.168 0.000 2.436 154 I HA 0.254 4.427 4.170 0.005 0.000 0.289 154 I C -0.809 175.370 176.117 0.103 0.000 1.010 154 I CA -0.873 60.502 61.300 0.124 0.000 1.098 154 I CB 2.300 40.367 38.000 0.111 0.000 1.266 154 I HN 0.095 nan 8.210 nan 0.000 0.434 155 I N 5.259 125.886 120.570 0.095 0.000 2.465 155 I HA 0.751 4.925 4.170 0.005 0.000 0.291 155 I C -1.054 175.097 176.117 0.056 0.000 1.014 155 I CA -0.683 60.670 61.300 0.088 0.000 1.093 155 I CB 1.981 40.043 38.000 0.103 0.000 1.267 155 I HN 0.193 nan 8.210 nan 0.000 0.431 156 V N 4.560 124.488 119.914 0.024 0.000 2.628 156 V HA 1.047 5.170 4.120 0.005 0.000 0.306 156 V C 0.480 176.555 176.094 -0.031 0.000 1.045 156 V CA -0.143 62.157 62.300 0.001 0.000 0.905 156 V CB 0.884 32.711 31.823 0.007 0.000 0.997 156 V HN 1.209 nan 8.190 nan 0.000 0.436 157 G N 1.377 110.152 108.800 -0.042 0.000 2.349 157 G HA2 0.563 4.526 3.960 0.005 0.000 0.294 157 G HA3 0.563 4.526 3.960 0.005 0.000 0.294 157 G C -0.642 174.201 174.900 -0.095 0.000 1.380 157 G CA -0.021 45.046 45.100 -0.054 0.000 0.811 157 G HN 0.911 nan 8.290 nan 0.000 0.519 158 T N -0.665 113.822 114.554 -0.111 0.000 2.882 158 T HA 0.506 4.859 4.350 0.005 0.000 0.287 158 T C -1.627 172.835 174.700 -0.397 0.000 1.014 158 T CA -1.109 60.831 62.100 -0.268 0.000 1.049 158 T CB 1.936 70.694 68.868 -0.183 0.000 1.001 158 T HN 0.136 nan 8.240 nan 0.000 0.525 159 P HA -0.040 nan 4.420 nan 0.000 0.216 159 P C 1.812 178.928 177.300 -0.307 0.000 1.150 159 P CA 1.315 64.080 63.100 -0.558 0.000 0.843 159 P CB -0.380 30.830 31.700 -0.817 0.000 0.787 160 G N -0.086 108.491 108.800 -0.371 0.000 2.453 160 G HA2 -0.241 3.722 3.960 0.005 0.000 0.215 160 G HA3 -0.241 3.722 3.960 0.005 0.000 0.215 160 G C 1.774 176.746 174.900 0.120 0.000 1.201 160 G CA 0.459 45.640 45.100 0.135 0.000 0.784 160 G HN 0.100 nan 8.290 nan 0.000 0.545 161 R N 0.029 120.562 120.500 0.056 0.000 2.115 161 R HA -0.109 4.234 4.340 0.005 0.000 0.239 161 R C 2.782 179.110 176.300 0.045 0.000 1.133 161 R CA 1.528 57.659 56.100 0.051 0.000 0.935 161 R CB -1.176 29.140 30.300 0.027 0.000 0.853 161 R HN 0.312 nan 8.270 nan 0.000 0.433 162 V N 0.959 120.887 119.914 0.022 0.000 2.255 162 V HA -0.275 3.848 4.120 0.005 0.000 0.247 162 V C 2.184 178.319 176.094 0.068 0.000 1.051 162 V CA 2.086 64.408 62.300 0.038 0.000 1.018 162 V CB -0.705 31.130 31.823 0.021 0.000 0.641 162 V HN 0.246 nan 8.190 nan 0.000 0.445 163 F N 1.815 121.740 119.950 -0.042 0.000 2.202 163 F HA -0.202 4.328 4.527 0.006 0.000 0.301 163 F C 2.007 177.797 175.800 -0.016 0.000 1.082 163 F CA 2.052 60.033 58.000 -0.033 0.000 1.313 163 F CB -0.525 38.463 39.000 -0.020 0.000 1.024 163 F HN 0.325 nan 8.300 nan 0.000 0.495 164 D N -0.813 119.486 120.400 -0.168 0.000 2.378 164 D HA -0.139 4.504 4.640 0.005 0.000 0.222 164 D C 1.869 178.019 176.300 -0.250 0.000 0.980 164 D CA 0.993 54.829 54.000 -0.274 0.000 0.907 164 D CB 0.030 40.799 40.800 -0.051 0.000 0.899 164 D HN 0.277 nan 8.370 nan 0.000 0.527 165 M N -0.826 118.674 119.600 -0.167 0.000 2.567 165 M HA 0.119 4.602 4.480 0.005 0.000 0.261 165 M C 1.761 177.964 176.300 -0.162 0.000 1.180 165 M CA 0.223 55.479 55.300 -0.073 0.000 1.143 165 M CB 0.105 32.741 32.600 0.060 0.000 1.319 165 M HN 0.115 nan 8.290 nan 0.000 0.490 166 L N 0.134 121.246 121.223 -0.186 0.000 2.072 166 L HA -0.144 4.200 4.340 0.005 0.000 0.205 166 L C 1.991 178.701 176.870 -0.267 0.000 1.079 166 L CA 0.997 55.738 54.840 -0.165 0.000 0.752 166 L CB -0.733 41.279 42.059 -0.078 0.000 0.906 166 L HN 0.279 nan 8.230 nan 0.000 0.436 167 N N 0.207 118.640 118.700 -0.445 0.000 2.104 167 N HA -0.153 4.590 4.740 0.005 0.000 0.190 167 N C 1.851 177.153 175.510 -0.347 0.000 1.024 167 N CA 1.239 54.036 53.050 -0.420 0.000 0.853 167 N CB 0.003 38.152 38.487 -0.564 0.000 1.008 167 N HN 0.162 nan 8.380 nan 0.000 0.424 168 R N -0.315 119.920 120.500 -0.442 0.000 2.240 168 R HA 0.216 4.559 4.340 0.005 0.000 0.203 168 R C 0.065 175.961 176.300 -0.673 0.000 1.011 168 R CA 0.218 55.954 56.100 -0.607 0.000 1.007 168 R CB 0.266 30.017 30.300 -0.915 0.000 0.911 168 R HN 0.118 nan 8.270 nan 0.000 0.468 169 R N -1.704 118.509 120.500 -0.478 0.000 3.739 169 R HA -0.153 4.190 4.340 0.005 0.000 0.338 169 R C -0.321 175.874 176.300 -0.174 0.000 1.151 169 R CA 0.271 56.207 56.100 -0.273 0.000 0.873 169 R CB -2.078 28.104 30.300 -0.196 0.000 1.455 169 R HN 0.214 nan 8.270 nan 0.000 0.502 170 Y N -0.527 119.745 120.300 -0.047 0.000 2.511 170 Y HA 0.313 4.866 4.550 0.005 0.000 0.279 170 Y C 0.692 176.571 175.900 -0.035 0.000 1.157 170 Y CA 0.070 58.146 58.100 -0.040 0.000 1.300 170 Y CB 0.497 38.934 38.460 -0.038 0.000 1.052 170 Y HN 0.163 nan 8.280 nan 0.000 0.529 171 L N -0.800 120.464 121.223 0.069 0.000 2.470 171 L HA 0.501 4.845 4.340 0.005 0.000 0.268 171 L C -0.517 176.361 176.870 0.014 0.000 0.964 171 L CA -0.485 54.382 54.840 0.044 0.000 0.839 171 L CB 1.981 44.068 42.059 0.047 0.000 1.276 171 L HN -0.254 nan 8.230 nan 0.000 0.403 172 S N 4.838 120.553 115.700 0.024 0.000 2.442 172 S HA 0.576 5.049 4.470 0.005 0.000 0.297 172 S C -1.830 172.805 174.600 0.059 0.000 1.131 172 S CA -1.382 56.840 58.200 0.037 0.000 1.092 172 S CB 1.207 64.438 63.200 0.051 0.000 0.998 172 S HN 0.591 nan 8.310 nan 0.000 0.478 173 P HA 0.032 nan 4.420 nan 0.000 0.227 173 P C 1.245 178.586 177.300 0.068 0.000 1.161 173 P CA 0.347 63.461 63.100 0.024 0.000 0.788 173 P CB 0.178 31.869 31.700 -0.016 0.000 0.822 174 K N -0.004 120.473 120.400 0.128 0.000 2.052 174 K HA -0.187 4.136 4.320 0.005 0.000 0.215 174 K C 1.740 178.390 176.600 0.084 0.000 1.053 174 K CA 1.802 58.167 56.287 0.130 0.000 0.934 174 K CB -0.788 31.893 32.500 0.302 0.000 0.717 174 K HN 0.378 nan 8.250 nan 0.000 0.450 175 Y N -0.039 120.260 120.300 -0.000 0.000 2.457 175 Y HA 0.226 4.779 4.550 0.005 0.000 0.263 175 Y C 0.674 176.578 175.900 0.005 0.000 1.164 175 Y CA -0.730 57.373 58.100 0.004 0.000 1.274 175 Y CB 0.323 38.790 38.460 0.013 0.000 1.097 175 Y HN -0.104 nan 8.280 nan 0.000 0.523 176 I N 3.259 123.906 120.570 0.129 0.000 2.494 176 I HA -0.039 4.134 4.170 0.005 0.000 0.289 176 I C 1.058 177.200 176.117 0.043 0.000 1.106 176 I CA 0.565 61.910 61.300 0.076 0.000 1.369 176 I CB 0.581 38.601 38.000 0.033 0.000 1.410 176 I HN 0.283 nan 8.210 nan 0.000 0.523 177 K N 6.008 126.439 120.400 0.052 0.000 2.374 177 K HA 0.346 4.669 4.320 0.005 0.000 0.202 177 K C 0.047 176.680 176.600 0.054 0.000 1.040 177 K CA -0.156 56.153 56.287 0.036 0.000 1.085 177 K CB 0.805 33.316 32.500 0.020 0.000 0.873 177 K HN 0.518 nan 8.250 nan 0.000 0.539 178 M N 1.753 121.402 119.600 0.081 0.000 2.183 178 M HA 0.327 4.810 4.480 0.005 0.000 0.277 178 M C -2.083 174.311 176.300 0.156 0.000 0.995 178 M CA -0.913 54.444 55.300 0.095 0.000 0.969 178 M CB 2.031 34.673 32.600 0.069 0.000 1.659 178 M HN 0.113 nan 8.290 nan 0.000 0.462 179 F N 6.030 125.949 119.950 -0.052 0.000 2.382 179 F HA 0.668 5.199 4.527 0.006 0.000 0.361 179 F C -1.662 174.054 175.800 -0.140 0.000 1.109 179 F CA -1.099 56.832 58.000 -0.116 0.000 1.031 179 F CB 1.008 39.913 39.000 -0.158 0.000 1.234 179 F HN 0.234 nan 8.300 nan 0.000 0.445 180 V N 7.933 127.583 119.914 -0.439 0.000 2.384 180 V HA 0.551 4.674 4.120 0.005 0.000 0.287 180 V C -1.366 174.289 176.094 -0.733 0.000 1.020 180 V CA -0.679 61.289 62.300 -0.554 0.000 0.850 180 V CB 1.243 32.793 31.823 -0.455 0.000 0.987 180 V HN 0.555 nan 8.190 nan 0.000 0.436 181 L N 6.480 127.271 121.223 -0.720 0.000 2.261 181 L HA 0.531 4.874 4.340 0.005 0.000 0.289 181 L C 0.014 176.637 176.870 -0.411 0.000 1.059 181 L CA 0.362 54.869 54.840 -0.555 0.000 0.816 181 L CB 0.634 42.421 42.059 -0.453 0.000 1.191 181 L HN 0.714 nan 8.230 nan 0.000 0.431 182 D N 3.013 123.182 120.400 -0.385 0.000 2.168 182 D HA 0.266 4.909 4.640 0.005 0.000 0.246 182 D C -0.117 176.104 176.300 -0.132 0.000 1.050 182 D CA -0.210 53.609 54.000 -0.301 0.000 0.857 182 D CB 0.943 41.536 40.800 -0.345 0.000 1.169 182 D HN 0.551 nan 8.370 nan 0.000 0.453 183 E N 1.677 121.839 120.200 -0.063 0.000 2.228 183 E HA -0.292 4.061 4.350 0.005 0.000 0.213 183 E C 0.662 177.261 176.600 -0.002 0.000 1.282 183 E CA 0.441 56.838 56.400 -0.005 0.000 0.707 183 E CB -1.766 27.950 29.700 0.026 0.000 1.150 183 E HN 0.492 nan 8.360 nan 0.000 0.362 184 A N 1.971 124.778 122.820 -0.021 0.000 1.917 184 A HA -0.316 4.007 4.320 0.005 0.000 0.219 184 A C 1.990 179.600 177.584 0.044 0.000 1.182 184 A CA 2.180 54.219 52.037 0.004 0.000 0.633 184 A CB -0.322 18.676 19.000 -0.003 0.000 0.819 184 A HN 0.600 nan 8.150 nan 0.000 0.448 185 D N -0.132 120.293 120.400 0.042 0.000 2.123 185 D HA -0.207 4.436 4.640 0.005 0.000 0.196 185 D C 1.479 177.812 176.300 0.056 0.000 0.992 185 D CA 1.498 55.528 54.000 0.050 0.000 0.833 185 D CB -0.647 40.179 40.800 0.044 0.000 0.954 185 D HN 0.452 nan 8.370 nan 0.000 0.455 186 E N 0.297 120.532 120.200 0.057 0.000 2.047 186 E HA -0.065 4.288 4.350 0.005 0.000 0.191 186 E C 2.392 179.049 176.600 0.095 0.000 0.987 186 E CA 0.616 57.056 56.400 0.066 0.000 0.799 186 E CB -0.371 29.369 29.700 0.067 0.000 0.752 186 E HN 0.433 nan 8.360 nan 0.000 0.449 187 M N 0.206 119.881 119.600 0.125 0.000 2.159 187 M HA -0.142 4.341 4.480 0.005 0.000 0.263 187 M C 2.418 178.861 176.300 0.238 0.000 1.063 187 M CA 1.151 56.596 55.300 0.241 0.000 1.110 187 M CB -0.258 32.446 32.600 0.172 0.000 1.374 187 M HN 0.075 nan 8.290 nan 0.000 0.411 188 L N -0.497 120.813 121.223 0.146 0.000 2.056 188 L HA -0.164 4.179 4.340 0.005 0.000 0.207 188 L C 2.723 179.629 176.870 0.059 0.000 1.078 188 L CA 1.551 56.464 54.840 0.122 0.000 0.749 188 L CB -0.593 41.530 42.059 0.107 0.000 0.901 188 L HN 0.396 nan 8.230 nan 0.000 0.433 189 S N -0.664 115.062 115.700 0.042 0.000 2.489 189 S HA -0.085 4.389 4.470 0.005 0.000 0.228 189 S C 1.892 176.469 174.600 -0.037 0.000 0.995 189 S CA 0.245 58.449 58.200 0.006 0.000 0.934 189 S CB -0.232 62.977 63.200 0.016 0.000 0.771 189 S HN 0.356 nan 8.310 nan 0.000 0.522 190 R N 0.713 121.178 120.500 -0.059 0.000 2.307 190 R HA 0.181 4.524 4.340 0.005 0.000 0.199 190 R C 1.328 177.407 176.300 -0.369 0.000 1.000 190 R CA 0.565 56.555 56.100 -0.184 0.000 1.023 190 R CB -0.220 29.988 30.300 -0.154 0.000 0.908 190 R HN 0.638 nan 8.270 nan 0.000 0.473 191 G N -0.103 108.541 108.800 -0.260 0.000 2.143 191 G HA2 -0.201 3.763 3.960 0.005 0.000 0.175 191 G HA3 -0.201 3.763 3.960 0.005 0.000 0.175 191 G C 0.140 174.935 174.900 -0.175 0.000 1.004 191 G CA -0.635 44.328 45.100 -0.229 0.000 0.671 191 G HN 0.240 nan 8.290 nan 0.000 0.512 192 F N 1.020 120.978 119.950 0.013 0.000 2.693 192 F HA 0.331 4.860 4.527 0.004 0.000 0.303 192 F C 2.134 177.947 175.800 0.022 0.000 1.097 192 F CA 0.222 58.231 58.000 0.016 0.000 1.330 192 F CB 0.390 39.403 39.000 0.022 0.000 1.067 192 F HN 0.283 nan 8.300 nan 0.000 0.565 193 K N 0.731 121.230 120.400 0.164 0.000 1.991 193 K HA -0.219 4.104 4.320 0.005 0.000 0.212 193 K C 1.369 178.005 176.600 0.059 0.000 1.049 193 K CA 2.249 58.607 56.287 0.119 0.000 0.932 193 K CB -0.223 32.276 32.500 -0.002 0.000 0.717 193 K HN 0.061 nan 8.250 nan 0.000 0.441 194 D N 0.724 121.104 120.400 -0.034 0.000 2.116 194 D HA -0.182 4.461 4.640 0.005 0.000 0.193 194 D C 2.120 178.390 176.300 -0.049 0.000 0.998 194 D CA 1.485 55.442 54.000 -0.072 0.000 0.836 194 D CB -0.268 40.493 40.800 -0.065 0.000 0.951 194 D HN 0.312 nan 8.370 nan 0.000 0.449 195 Q N -0.224 119.569 119.800 -0.011 0.000 2.224 195 Q HA 0.056 4.399 4.340 0.005 0.000 0.203 195 Q C 2.253 178.183 176.000 -0.117 0.000 0.970 195 Q CA 0.342 56.053 55.803 -0.153 0.000 0.865 195 Q CB -0.006 28.752 28.738 0.033 0.000 0.922 195 Q HN 0.387 nan 8.270 nan 0.000 0.445 196 I N -0.993 119.611 120.570 0.056 0.000 2.193 196 I HA -0.269 3.904 4.170 0.005 0.000 0.240 196 I C 1.382 177.556 176.117 0.095 0.000 1.084 196 I CA 0.955 62.293 61.300 0.063 0.000 1.365 196 I CB -0.128 37.959 38.000 0.146 0.000 1.064 196 I HN 0.185 nan 8.210 nan 0.000 0.410 197 Y N 1.127 121.439 120.300 0.020 0.000 2.114 197 Y HA -0.324 4.229 4.550 0.005 0.000 0.282 197 Y C 2.372 178.281 175.900 0.016 0.000 1.165 197 Y CA 1.441 59.610 58.100 0.116 0.000 1.148 197 Y CB -0.952 37.612 38.460 0.173 0.000 0.972 197 Y HN 0.225 nan 8.280 nan 0.000 0.504 198 D N -0.305 120.094 120.400 -0.002 0.000 2.178 198 D HA -0.151 4.492 4.640 0.005 0.000 0.201 198 D C 2.303 178.516 176.300 -0.145 0.000 0.980 198 D CA 1.115 54.992 54.000 -0.204 0.000 0.842 198 D CB -0.390 39.954 40.800 -0.760 0.000 0.948 198 D HN 0.314 nan 8.370 nan 0.000 0.472 199 I N -0.187 120.275 120.570 -0.181 0.000 2.163 199 I HA -0.261 3.912 4.170 0.005 0.000 0.240 199 I C 2.010 177.979 176.117 -0.246 0.000 1.081 199 I CA 0.600 61.813 61.300 -0.146 0.000 1.353 199 I CB -0.181 37.678 38.000 -0.235 0.000 1.054 199 I HN -0.096 nan 8.210 nan 0.000 0.407 200 F N 1.566 121.328 119.950 -0.314 0.000 2.087 200 F HA -0.346 4.183 4.527 0.005 0.000 0.299 200 F C 2.688 178.393 175.800 -0.158 0.000 1.100 200 F CA 2.287 60.059 58.000 -0.380 0.000 1.226 200 F CB -0.771 37.863 39.000 -0.610 0.000 0.983 200 F HN 0.264 nan 8.300 nan 0.000 0.479 201 Q N 0.152 120.052 119.800 0.166 0.000 2.515 201 Q HA -0.074 4.269 4.340 0.005 0.000 0.212 201 Q C 1.152 177.195 176.000 0.071 0.000 0.970 201 Q CA 1.182 57.070 55.803 0.142 0.000 0.941 201 Q CB -0.299 28.529 28.738 0.151 0.000 0.998 201 Q HN 0.318 nan 8.270 nan 0.000 0.518 202 K N -0.168 120.246 120.400 0.022 0.000 2.354 202 K HA 0.254 4.578 4.320 0.005 0.000 0.194 202 K C -0.226 176.349 176.600 -0.043 0.000 1.038 202 K CA -0.103 56.187 56.287 0.005 0.000 1.052 202 K CB 0.602 33.117 32.500 0.025 0.000 0.861 202 K HN 0.190 nan 8.250 nan 0.000 0.535 203 L N 1.636 122.801 121.223 -0.096 0.000 2.379 203 L HA 0.199 4.542 4.340 0.005 0.000 0.269 203 L C -0.087 176.759 176.870 -0.040 0.000 1.084 203 L CA -0.963 53.804 54.840 -0.121 0.000 0.802 203 L CB 0.706 42.599 42.059 -0.277 0.000 1.175 203 L HN -0.005 nan 8.230 nan 0.000 0.448 204 N N -0.309 118.371 118.700 -0.033 0.000 2.395 204 N HA -0.044 4.699 4.740 0.005 0.000 0.246 204 N C 0.785 176.307 175.510 0.019 0.000 1.246 204 N CA 0.248 53.292 53.050 -0.010 0.000 0.879 204 N CB 0.466 38.939 38.487 -0.024 0.000 1.098 204 N HN 0.653 nan 8.380 nan 0.000 0.444 205 S N -0.033 115.680 115.700 0.023 0.000 2.723 205 S HA -0.050 4.423 4.470 0.005 0.000 0.231 205 S C 0.920 175.540 174.600 0.034 0.000 0.967 205 S CA 0.257 58.479 58.200 0.037 0.000 0.958 205 S CB -0.289 62.923 63.200 0.020 0.000 0.778 205 S HN 0.582 nan 8.310 nan 0.000 0.537 206 N N 0.928 119.643 118.700 0.025 0.000 2.273 206 N HA 0.074 4.817 4.740 0.005 0.000 0.192 206 N C -0.549 174.978 175.510 0.030 0.000 1.132 206 N CA 0.278 53.337 53.050 0.016 0.000 0.887 206 N CB 0.496 38.978 38.487 -0.008 0.000 1.048 206 N HN 0.324 nan 8.380 nan 0.000 0.490 207 T N 1.224 115.808 114.554 0.050 0.000 2.884 207 T HA 0.056 4.410 4.350 0.005 0.000 0.298 207 T C 0.262 175.028 174.700 0.111 0.000 0.998 207 T CA -0.107 62.034 62.100 0.068 0.000 1.124 207 T CB 1.702 70.608 68.868 0.064 0.000 0.931 207 T HN 0.135 nan 8.240 nan 0.000 0.531 208 Q N 2.049 121.905 119.800 0.094 0.000 2.340 208 Q HA 0.424 4.767 4.340 0.005 0.000 0.249 208 Q C -1.384 174.700 176.000 0.141 0.000 0.957 208 Q CA -0.485 55.373 55.803 0.091 0.000 0.882 208 Q CB 0.645 29.408 28.738 0.043 0.000 1.235 208 Q HN 0.460 nan 8.270 nan 0.000 0.439 209 V N 4.405 124.399 119.914 0.134 0.000 2.483 209 V HA 0.371 4.494 4.120 0.005 0.000 0.297 209 V C -0.738 175.372 176.094 0.026 0.000 1.027 209 V CA -0.757 61.626 62.300 0.137 0.000 0.855 209 V CB 1.814 33.800 31.823 0.272 0.000 0.995 209 V HN 0.624 nan 8.190 nan 0.000 0.424 210 V N 6.377 126.245 119.914 -0.076 0.000 2.409 210 V HA 0.530 4.653 4.120 0.005 0.000 0.291 210 V C -0.410 175.576 176.094 -0.181 0.000 1.020 210 V CA -0.520 61.721 62.300 -0.099 0.000 0.848 210 V CB 1.814 33.583 31.823 -0.090 0.000 0.990 210 V HN 0.730 nan 8.190 nan 0.000 0.430 211 L N 6.719 127.873 121.223 -0.115 0.000 2.342 211 L HA 0.685 5.028 4.340 0.005 0.000 0.276 211 L C -1.439 175.379 176.870 -0.086 0.000 0.997 211 L CA -0.430 54.334 54.840 -0.128 0.000 0.838 211 L CB 1.259 43.283 42.059 -0.058 0.000 1.224 211 L HN 0.501 nan 8.230 nan 0.000 0.416 212 L N 4.278 125.432 121.223 -0.114 0.000 2.325 212 L HA 0.752 5.096 4.340 0.005 0.000 0.278 212 L C 0.050 176.901 176.870 -0.031 0.000 1.023 212 L CA -0.196 54.615 54.840 -0.048 0.000 0.811 212 L CB 1.755 43.798 42.059 -0.028 0.000 1.249 212 L HN 0.561 nan 8.230 nan 0.000 0.431 213 S N -0.121 115.582 115.700 0.006 0.000 2.543 213 S HA 0.653 5.126 4.470 0.005 0.000 0.273 213 S C 0.588 175.209 174.600 0.035 0.000 1.152 213 S CA 0.053 58.263 58.200 0.017 0.000 0.910 213 S CB 1.527 64.737 63.200 0.017 0.000 1.105 213 S HN 0.791 nan 8.310 nan 0.000 0.465 214 A N 2.884 125.729 122.820 0.043 0.000 1.908 214 A HA 0.154 4.477 4.320 0.005 0.000 0.218 214 A C 1.288 178.899 177.584 0.045 0.000 1.181 214 A CA 2.204 54.271 52.037 0.050 0.000 0.627 214 A CB -0.989 18.044 19.000 0.055 0.000 0.818 214 A HN 1.331 nan 8.150 nan 0.000 0.445 215 T N -4.996 109.583 114.554 0.041 0.000 2.887 215 T HA 0.648 5.001 4.350 0.005 0.000 0.292 215 T C -0.487 174.235 174.700 0.036 0.000 1.087 215 T CA -0.797 61.326 62.100 0.038 0.000 1.009 215 T CB 1.450 70.341 68.868 0.037 0.000 1.203 215 T HN -0.024 nan 8.240 nan 0.000 0.518 216 M N 2.251 121.872 119.600 0.034 0.000 2.488 216 M HA 0.350 4.833 4.480 0.005 0.000 0.204 216 M C -2.708 173.613 176.300 0.035 0.000 0.969 216 M CA -2.006 53.315 55.300 0.035 0.000 0.720 216 M CB 0.162 32.781 32.600 0.032 0.000 1.427 216 M HN 0.532 nan 8.290 nan 0.000 0.427 217 P HA 0.370 nan 4.420 nan 0.000 0.274 217 P C 0.770 178.095 177.300 0.041 0.000 1.256 217 P CA -0.172 62.950 63.100 0.036 0.000 0.795 217 P CB 0.542 32.264 31.700 0.037 0.000 1.038 218 S N 0.149 115.871 115.700 0.037 0.000 2.380 218 S HA -0.278 4.195 4.470 0.005 0.000 0.229 218 S C 1.342 175.977 174.600 0.058 0.000 1.050 218 S CA 2.120 60.344 58.200 0.040 0.000 1.100 218 S CB -1.399 61.821 63.200 0.033 0.000 0.984 218 S HN 0.522 nan 8.310 nan 0.000 0.434 219 D N 1.079 121.517 120.400 0.064 0.000 2.204 219 D HA -0.135 4.508 4.640 0.005 0.000 0.189 219 D C 1.997 178.369 176.300 0.119 0.000 1.006 219 D CA 1.451 55.507 54.000 0.093 0.000 0.855 219 D CB -0.819 40.031 40.800 0.082 0.000 0.946 219 D HN 0.239 nan 8.370 nan 0.000 0.448 220 V N 0.463 120.434 119.914 0.095 0.000 2.261 220 V HA -0.211 3.912 4.120 0.005 0.000 0.246 220 V C 2.586 178.735 176.094 0.092 0.000 1.047 220 V CA 1.108 63.465 62.300 0.096 0.000 1.015 220 V CB -0.460 31.403 31.823 0.067 0.000 0.642 220 V HN 0.286 nan 8.190 nan 0.000 0.446 221 L N -0.244 121.020 121.223 0.069 0.000 1.991 221 L HA -0.291 4.053 4.340 0.005 0.000 0.221 221 L C 2.680 179.587 176.870 0.061 0.000 1.079 221 L CA 2.297 57.170 54.840 0.054 0.000 0.778 221 L CB -0.776 41.307 42.059 0.039 0.000 0.893 221 L HN 0.450 nan 8.230 nan 0.000 0.437 222 E N -0.499 119.746 120.200 0.075 0.000 2.265 222 E HA -0.176 4.178 4.350 0.005 0.000 0.196 222 E C 2.127 178.788 176.600 0.102 0.000 0.996 222 E CA 0.876 57.321 56.400 0.076 0.000 0.832 222 E CB 0.178 29.936 29.700 0.096 0.000 0.756 222 E HN 0.323 nan 8.360 nan 0.000 0.491 223 V N 0.302 120.319 119.914 0.172 0.000 2.270 223 V HA -0.248 3.875 4.120 0.005 0.000 0.245 223 V C 2.385 178.591 176.094 0.186 0.000 1.043 223 V CA 2.085 64.526 62.300 0.235 0.000 1.014 223 V CB -0.677 31.299 31.823 0.256 0.000 0.645 223 V HN 0.299 nan 8.190 nan 0.000 0.447 224 T N -0.569 114.056 114.554 0.119 0.000 2.653 224 T HA -0.317 4.036 4.350 0.005 0.000 0.268 224 T C 1.968 176.672 174.700 0.006 0.000 1.035 224 T CA 2.256 64.399 62.100 0.071 0.000 1.154 224 T CB -0.269 68.628 68.868 0.049 0.000 0.862 224 T HN 0.313 nan 8.240 nan 0.000 0.441 225 K N 0.829 121.216 120.400 -0.022 0.000 2.283 225 K HA 0.034 4.357 4.320 0.005 0.000 0.202 225 K C 1.615 178.105 176.600 -0.184 0.000 1.048 225 K CA 1.188 57.431 56.287 -0.074 0.000 0.948 225 K CB 0.135 32.605 32.500 -0.050 0.000 0.742 225 K HN 0.160 nan 8.250 nan 0.000 0.458 226 K N -1.170 119.035 120.400 -0.325 0.000 2.455 226 K HA 0.138 4.462 4.320 0.005 0.000 0.206 226 K C -0.453 175.418 176.600 -1.216 0.000 1.027 226 K CA -0.012 55.845 56.287 -0.717 0.000 1.113 226 K CB 0.600 32.553 32.500 -0.912 0.000 0.850 226 K HN 0.067 nan 8.250 nan 0.000 0.503 227 F N -0.635 119.098 119.950 -0.362 0.000 3.087 227 F HA 0.298 4.828 4.527 0.004 0.000 0.371 227 F C 0.020 175.691 175.800 -0.214 0.000 1.144 227 F CA -0.346 57.351 58.000 -0.504 0.000 1.030 227 F CB 0.563 38.865 39.000 -1.164 0.000 1.366 227 F HN -0.179 nan 8.300 nan 0.000 0.522 228 M N 0.614 120.213 119.600 -0.002 0.000 2.393 228 M HA 0.447 4.930 4.480 0.005 0.000 0.316 228 M C -0.305 175.998 176.300 0.006 0.000 1.087 228 M CA -0.480 54.844 55.300 0.040 0.000 0.937 228 M CB 2.711 35.343 32.600 0.054 0.000 1.668 228 M HN -0.158 nan 8.290 nan 0.000 0.438 229 R N 1.592 122.106 120.500 0.024 0.000 2.265 229 R HA 0.094 4.438 4.340 0.005 0.000 0.314 229 R C -0.543 175.767 176.300 0.016 0.000 1.053 229 R CA -0.176 55.933 56.100 0.015 0.000 0.931 229 R CB 0.405 30.724 30.300 0.033 0.000 1.024 229 R HN 0.667 nan 8.270 nan 0.000 0.457 230 D N 2.868 123.269 120.400 0.002 0.000 2.781 230 D HA -0.147 4.496 4.640 0.005 0.000 0.221 230 D C -2.009 174.285 176.300 -0.010 0.000 1.224 230 D CA 0.650 54.648 54.000 -0.002 0.000 0.625 230 D CB -0.459 40.343 40.800 0.004 0.000 0.987 230 D HN 0.396 nan 8.370 nan 0.000 0.402 231 P HA 0.149 nan 4.420 nan 0.000 0.274 231 P C 0.576 177.848 177.300 -0.047 0.000 1.246 231 P CA -0.569 62.524 63.100 -0.012 0.000 0.795 231 P CB 0.752 32.454 31.700 0.003 0.000 1.006 232 I N -1.519 118.994 120.570 -0.095 0.000 2.428 232 I HA 0.499 4.672 4.170 0.005 0.000 0.296 232 I C -0.272 175.810 176.117 -0.058 0.000 0.985 232 I CA -1.043 60.185 61.300 -0.119 0.000 1.260 232 I CB 1.372 39.177 38.000 -0.325 0.000 1.389 232 I HN 0.234 nan 8.210 nan 0.000 0.484 233 R N 5.567 126.074 120.500 0.012 0.000 2.275 233 R HA 0.569 4.912 4.340 0.005 0.000 0.326 233 R C -1.132 175.216 176.300 0.079 0.000 0.973 233 R CA -0.683 55.438 56.100 0.035 0.000 0.854 233 R CB 1.481 31.803 30.300 0.037 0.000 1.156 233 R HN 0.633 nan 8.270 nan 0.000 0.487 234 I N 3.818 124.431 120.570 0.071 0.000 2.336 234 I HA 0.135 4.308 4.170 0.005 0.000 0.292 234 I C 0.111 176.274 176.117 0.075 0.000 0.991 234 I CA -0.118 61.248 61.300 0.109 0.000 1.227 234 I CB 1.650 39.713 38.000 0.106 0.000 1.366 234 I HN 0.432 nan 8.210 nan 0.000 0.466 235 L N 8.844 130.110 121.223 0.071 0.000 3.291 235 L HA 0.323 4.666 4.340 0.005 0.000 0.307 235 L C 0.218 177.115 176.870 0.045 0.000 1.303 235 L CA 0.071 54.942 54.840 0.052 0.000 0.949 235 L CB 0.805 42.890 42.059 0.042 0.000 1.375 235 L HN 0.422 nan 8.230 nan 0.000 0.596 236 V N 1.479 121.423 119.914 0.050 0.000 3.297 236 V HA 0.015 4.138 4.120 0.005 0.000 0.357 236 V C 1.151 177.269 176.094 0.039 0.000 1.238 236 V CA 0.248 62.572 62.300 0.039 0.000 1.454 236 V CB -0.671 31.177 31.823 0.042 0.000 1.159 236 V HN 0.571 nan 8.190 nan 0.000 0.435 237 K N 1.927 122.350 120.400 0.039 0.000 2.318 237 K HA 0.444 4.767 4.320 0.005 0.000 0.243 237 K C -0.550 176.068 176.600 0.030 0.000 1.047 237 K CA -0.662 55.649 56.287 0.040 0.000 0.937 237 K CB 0.762 33.288 32.500 0.044 0.000 1.225 237 K HN 0.329 nan 8.250 nan 0.000 0.506 238 K N 0.923 121.343 120.400 0.033 0.000 2.669 238 K HA 0.040 4.363 4.320 0.005 0.000 0.274 238 K C -1.402 175.219 176.600 0.034 0.000 1.057 238 K CA -0.389 55.914 56.287 0.026 0.000 1.001 238 K CB 1.290 33.801 32.500 0.017 0.000 1.384 238 K HN 0.650 nan 8.250 nan 0.000 0.418 239 E N 1.136 121.356 120.200 0.033 0.000 3.446 239 E HA 0.218 4.572 4.350 0.005 0.000 0.229 239 E C -0.926 175.699 176.600 0.042 0.000 0.740 239 E CA -0.215 56.209 56.400 0.041 0.000 1.531 239 E CB 0.248 29.973 29.700 0.041 0.000 1.891 239 E HN 0.491 nan 8.360 nan 0.000 0.383 240 E N 2.192 122.420 120.200 0.045 0.000 3.695 240 E HA -0.096 4.257 4.350 0.005 0.000 0.267 240 E C -0.376 176.253 176.600 0.048 0.000 0.810 240 E CA 0.466 56.896 56.400 0.049 0.000 0.975 240 E CB -0.837 28.892 29.700 0.048 0.000 0.880 240 E HN 0.318 nan 8.360 nan 0.000 0.570 241 L N 1.534 122.784 121.223 0.044 0.000 2.586 241 L HA -0.179 4.164 4.340 0.005 0.000 0.690 241 L C -0.451 176.446 176.870 0.045 0.000 1.053 241 L CA 0.754 55.618 54.840 0.039 0.000 1.383 241 L CB -2.171 39.918 42.059 0.049 0.000 2.057 241 L HN 0.996 nan 8.230 nan 0.000 0.951 242 T N -0.099 114.470 114.554 0.025 0.000 3.880 242 T HA 0.384 4.737 4.350 0.005 0.000 0.443 242 T C -0.389 174.313 174.700 0.004 0.000 1.266 242 T CA -0.823 61.295 62.100 0.029 0.000 1.080 242 T CB 0.424 69.316 68.868 0.041 0.000 1.355 242 T HN 0.529 nan 8.240 nan 0.000 0.440 243 L N 2.180 123.394 121.223 -0.014 0.000 2.821 243 L HA 0.435 4.779 4.340 0.005 0.000 0.239 243 L C 1.076 177.938 176.870 -0.013 0.000 1.391 243 L CA 0.045 54.864 54.840 -0.034 0.000 1.231 243 L CB -1.433 40.582 42.059 -0.073 0.000 1.598 243 L HN 0.810 nan 8.230 nan 0.000 0.428 244 E N -0.301 119.898 120.200 -0.002 0.000 2.423 244 E HA 0.299 4.652 4.350 0.005 0.000 0.198 244 E C 1.217 177.815 176.600 -0.003 0.000 1.038 244 E CA 0.331 56.731 56.400 0.000 0.000 1.011 244 E CB 0.499 30.204 29.700 0.009 0.000 1.118 244 E HN 0.612 nan 8.360 nan 0.000 0.451 245 G N 0.844 109.639 108.800 -0.007 0.000 3.441 245 G HA2 0.266 4.229 3.960 0.005 0.000 0.263 245 G HA3 0.266 4.229 3.960 0.005 0.000 0.263 245 G C 0.095 174.993 174.900 -0.003 0.000 1.014 245 G CA -0.152 44.944 45.100 -0.006 0.000 0.833 245 G HN 0.026 nan 8.290 nan 0.000 0.514 246 I N 0.742 121.306 120.570 -0.009 0.000 2.447 246 I HA 0.402 4.575 4.170 0.005 0.000 0.287 246 I C -0.146 175.964 176.117 -0.012 0.000 1.023 246 I CA -0.660 60.638 61.300 -0.004 0.000 1.083 246 I CB 2.269 40.255 38.000 -0.022 0.000 1.245 246 I HN -0.150 nan 8.210 nan 0.000 0.434 247 R N 5.420 125.926 120.500 0.010 0.000 2.267 247 R HA 0.387 4.730 4.340 0.005 0.000 0.319 247 R C -0.715 175.524 176.300 -0.103 0.000 1.067 247 R CA -0.350 55.712 56.100 -0.064 0.000 0.936 247 R CB 0.673 31.011 30.300 0.063 0.000 1.006 247 R HN 0.546 nan 8.270 nan 0.000 0.452 248 Q N 3.284 122.931 119.800 -0.256 0.000 2.293 248 Q HA 0.373 4.716 4.340 0.005 0.000 0.261 248 Q C -1.012 174.774 176.000 -0.357 0.000 0.960 248 Q CA -0.339 55.388 55.803 -0.127 0.000 0.882 248 Q CB 1.761 30.503 28.738 0.006 0.000 1.275 248 Q HN 0.371 nan 8.270 nan 0.000 0.445 249 F N 1.159 121.195 119.950 0.143 0.000 2.593 249 F HA 0.434 4.965 4.527 0.006 0.000 0.320 249 F C -0.673 175.258 175.800 0.219 0.000 1.060 249 F CA -1.181 56.911 58.000 0.153 0.000 0.940 249 F CB 1.407 40.445 39.000 0.063 0.000 1.268 249 F HN 0.448 nan 8.300 nan 0.000 0.475 250 Y N 1.494 121.945 120.300 0.252 0.000 2.328 250 Y HA 0.779 5.332 4.550 0.005 0.000 0.336 250 Y C -1.392 174.592 175.900 0.141 0.000 0.960 250 Y CA -1.502 56.696 58.100 0.163 0.000 1.134 250 Y CB 1.241 39.762 38.460 0.102 0.000 1.166 250 Y HN 0.517 nan 8.280 nan 0.000 0.464 251 I N 4.654 125.185 120.570 -0.064 0.000 2.336 251 I HA 0.350 4.523 4.170 0.005 0.000 0.292 251 I C -0.890 175.195 176.117 -0.054 0.000 0.991 251 I CA -0.749 60.456 61.300 -0.158 0.000 1.227 251 I CB 0.844 38.794 38.000 -0.083 0.000 1.366 251 I HN 0.810 nan 8.210 nan 0.000 0.466 252 N N 6.786 125.435 118.700 -0.085 0.000 2.401 252 N HA 0.295 5.038 4.740 0.005 0.000 0.255 252 N C -1.166 174.361 175.510 0.028 0.000 1.110 252 N CA -0.187 52.891 53.050 0.047 0.000 0.949 252 N CB 0.639 39.177 38.487 0.085 0.000 1.110 252 N HN 0.367 nan 8.380 nan 0.000 0.490 253 V N 1.076 121.025 119.914 0.058 0.000 2.349 253 V HA 0.403 4.526 4.120 0.005 0.000 0.284 253 V C 1.048 177.216 176.094 0.123 0.000 1.014 253 V CA -0.700 61.645 62.300 0.074 0.000 0.826 253 V CB 1.285 33.151 31.823 0.071 0.000 1.009 253 V HN 0.500 nan 8.190 nan 0.000 0.431 254 E N 3.463 123.753 120.200 0.150 0.000 2.048 254 E HA -0.138 4.215 4.350 0.005 0.000 0.202 254 E C 0.739 177.455 176.600 0.193 0.000 1.021 254 E CA 1.910 58.415 56.400 0.175 0.000 0.825 254 E CB 0.100 29.924 29.700 0.207 0.000 0.756 254 E HN 0.793 nan 8.360 nan 0.000 0.454 255 R N 0.097 120.778 120.500 0.301 0.000 2.720 255 R HA 0.233 4.576 4.340 0.005 0.000 0.272 255 R C 0.806 177.167 176.300 0.101 0.000 0.991 255 R CA -0.375 55.814 56.100 0.149 0.000 1.010 255 R CB 0.829 31.143 30.300 0.024 0.000 1.141 255 R HN -0.024 nan 8.270 nan 0.000 0.494 256 E N 1.756 121.965 120.200 0.015 0.000 2.150 256 E HA -0.172 4.181 4.350 0.005 0.000 0.193 256 E C 0.814 177.425 176.600 0.019 0.000 0.985 256 E CA 1.566 57.964 56.400 -0.002 0.000 0.814 256 E CB 0.192 29.875 29.700 -0.028 0.000 0.752 256 E HN 0.650 nan 8.360 nan 0.000 0.466 257 E N -0.092 120.067 120.200 -0.069 0.000 2.068 257 E HA -0.233 4.120 4.350 0.005 0.000 0.207 257 E C 1.295 177.865 176.600 -0.050 0.000 1.032 257 E CA 1.369 57.680 56.400 -0.148 0.000 0.839 257 E CB -0.557 28.863 29.700 -0.466 0.000 0.758 257 E HN 0.475 nan 8.360 nan 0.000 0.457 258 W N 1.581 122.912 121.300 0.051 0.000 3.216 258 W HA 0.068 4.731 4.660 0.005 0.000 0.247 258 W C 1.527 178.058 176.519 0.021 0.000 1.326 258 W CA 0.102 57.468 57.345 0.035 0.000 1.564 258 W CB -0.352 29.118 29.460 0.016 0.000 1.113 258 W HN 0.173 nan 8.180 nan 0.000 0.722 259 K N 0.183 120.693 120.400 0.183 0.000 2.007 259 K HA -0.171 4.152 4.320 0.005 0.000 0.206 259 K C 2.050 178.764 176.600 0.191 0.000 1.047 259 K CA 1.026 57.335 56.287 0.038 0.000 0.937 259 K CB -0.540 31.788 32.500 -0.288 0.000 0.718 259 K HN 0.021 nan 8.250 nan 0.000 0.438 260 L N 1.792 123.219 121.223 0.340 0.000 2.042 260 L HA -0.200 4.143 4.340 0.005 0.000 0.210 260 L C 1.545 178.473 176.870 0.095 0.000 1.076 260 L CA 1.999 56.993 54.840 0.257 0.000 0.749 260 L CB -0.604 41.517 42.059 0.103 0.000 0.893 260 L HN 0.107 nan 8.230 nan 0.000 0.432 261 D N -0.564 119.910 120.400 0.124 0.000 2.087 261 D HA -0.208 4.435 4.640 0.005 0.000 0.192 261 D C 2.314 178.652 176.300 0.065 0.000 0.993 261 D CA 2.351 56.408 54.000 0.096 0.000 0.828 261 D CB -0.374 40.550 40.800 0.207 0.000 0.968 261 D HN 0.631 nan 8.370 nan 0.000 0.448 262 T N -0.615 113.993 114.554 0.090 0.000 2.699 262 T HA -0.235 4.119 4.350 0.005 0.000 0.268 262 T C 2.094 176.827 174.700 0.056 0.000 1.036 262 T CA 1.387 63.520 62.100 0.055 0.000 1.147 262 T CB -0.779 68.114 68.868 0.042 0.000 0.862 262 T HN 0.094 nan 8.240 nan 0.000 0.446 263 L N 1.331 122.602 121.223 0.079 0.000 1.997 263 L HA -0.094 4.249 4.340 0.005 0.000 0.216 263 L C 2.768 179.650 176.870 0.020 0.000 1.074 263 L CA 1.684 56.576 54.840 0.087 0.000 0.763 263 L CB -1.085 41.058 42.059 0.140 0.000 0.890 263 L HN 0.575 nan 8.230 nan 0.000 0.434 264 C N -0.902 118.327 119.300 -0.119 0.000 2.446 264 C HA -0.065 4.398 4.460 0.005 0.000 0.279 264 C C 2.331 177.377 174.990 0.093 0.000 1.366 264 C CA 0.144 59.030 59.018 -0.219 0.000 1.763 264 C CB -1.182 26.234 27.740 -0.540 0.000 1.929 264 C HN 0.556 nan 8.230 nan 0.000 0.509 265 D N 0.967 121.408 120.400 0.069 0.000 2.117 265 D HA -0.105 4.538 4.640 0.005 0.000 0.197 265 D C 1.983 178.350 176.300 0.112 0.000 0.987 265 D CA 1.074 55.128 54.000 0.090 0.000 0.829 265 D CB -0.264 40.562 40.800 0.044 0.000 0.961 265 D HN 0.332 nan 8.370 nan 0.000 0.460 266 L N 0.025 121.314 121.223 0.111 0.000 2.056 266 L HA -0.165 4.179 4.340 0.005 0.000 0.207 266 L C 2.176 179.141 176.870 0.159 0.000 1.078 266 L CA 1.357 56.258 54.840 0.102 0.000 0.749 266 L CB -0.800 41.316 42.059 0.095 0.000 0.901 266 L HN 0.026 nan 8.230 nan 0.000 0.433 267 Y N 0.231 120.585 120.300 0.091 0.000 2.384 267 Y HA -0.235 4.318 4.550 0.005 0.000 0.289 267 Y C 2.108 178.099 175.900 0.152 0.000 1.152 267 Y CA 1.993 60.188 58.100 0.157 0.000 1.258 267 Y CB 0.143 38.779 38.460 0.295 0.000 0.979 267 Y HN 0.405 nan 8.280 nan 0.000 0.549 268 E N -2.286 118.075 120.200 0.268 0.000 2.490 268 E HA 0.009 4.362 4.350 0.005 0.000 0.209 268 E C 1.522 178.155 176.600 0.055 0.000 0.971 268 E CA 0.758 57.246 56.400 0.146 0.000 0.988 268 E CB 0.366 30.178 29.700 0.186 0.000 1.029 268 E HN 0.399 nan 8.360 nan 0.000 0.496 269 T N -1.606 112.979 114.554 0.050 0.000 3.086 269 T HA 0.169 4.522 4.350 0.005 0.000 0.250 269 T C 1.067 175.756 174.700 -0.018 0.000 1.074 269 T CA 0.058 62.163 62.100 0.009 0.000 0.988 269 T CB 0.237 69.107 68.868 0.004 0.000 0.988 269 T HN -0.071 nan 8.240 nan 0.000 0.530 270 L N 0.961 122.170 121.223 -0.024 0.000 3.128 270 L HA 0.297 4.640 4.340 0.005 0.000 0.277 270 L C 1.233 178.053 176.870 -0.084 0.000 1.171 270 L CA 0.794 55.604 54.840 -0.049 0.000 1.008 270 L CB -0.019 42.015 42.059 -0.043 0.000 1.442 270 L HN 0.473 nan 8.230 nan 0.000 0.584 271 T N -1.026 113.465 114.554 -0.105 0.000 3.608 271 T HA -0.311 4.042 4.350 0.005 0.000 0.368 271 T C 0.569 175.123 174.700 -0.243 0.000 0.763 271 T CA 0.592 62.579 62.100 -0.189 0.000 1.845 271 T CB -2.429 66.366 68.868 -0.121 0.000 1.816 271 T HN 0.128 nan 8.240 nan 0.000 0.704 272 I N 1.308 121.731 120.570 -0.244 0.000 3.094 272 I HA 0.176 4.349 4.170 0.005 0.000 0.291 272 I C 1.462 177.463 176.117 -0.192 0.000 1.250 272 I CA 0.595 61.792 61.300 -0.172 0.000 1.401 272 I CB 0.728 38.658 38.000 -0.118 0.000 1.343 272 I HN 0.454 nan 8.210 nan 0.000 0.599 273 T N 4.676 119.164 114.554 -0.111 0.000 3.023 273 T HA 0.176 4.529 4.350 0.005 0.000 0.249 273 T C 0.360 175.033 174.700 -0.046 0.000 1.050 273 T CA 0.275 62.324 62.100 -0.085 0.000 1.088 273 T CB -0.083 68.749 68.868 -0.059 0.000 0.946 273 T HN 0.605 nan 8.240 nan 0.000 0.480 274 Q N 0.581 120.362 119.800 -0.033 0.000 2.330 274 Q HA 0.727 5.071 4.340 0.005 0.000 0.269 274 Q C -1.446 174.556 176.000 0.003 0.000 1.022 274 Q CA -0.684 55.115 55.803 -0.007 0.000 0.796 274 Q CB 2.372 31.110 28.738 0.000 0.000 1.271 274 Q HN 0.376 nan 8.270 nan 0.000 0.450 275 A N 1.805 124.638 122.820 0.021 0.000 2.566 275 A HA 0.619 4.942 4.320 0.005 0.000 0.297 275 A C -1.345 176.258 177.584 0.031 0.000 1.059 275 A CA -0.528 51.532 52.037 0.037 0.000 0.691 275 A CB 1.483 20.513 19.000 0.050 0.000 1.282 275 A HN 0.408 nan 8.150 nan 0.000 0.401 276 V N 2.818 122.746 119.914 0.024 0.000 2.370 276 V HA 0.437 4.561 4.120 0.005 0.000 0.283 276 V C -0.213 175.845 176.094 -0.060 0.000 1.023 276 V CA -0.147 62.112 62.300 -0.067 0.000 0.857 276 V CB 1.033 32.792 31.823 -0.106 0.000 0.985 276 V HN 0.671 nan 8.190 nan 0.000 0.443 277 I N 5.129 125.630 120.570 -0.114 0.000 2.339 277 I HA 0.428 4.601 4.170 0.005 0.000 0.290 277 I C -0.628 175.414 176.117 -0.125 0.000 0.994 277 I CA -0.159 61.133 61.300 -0.012 0.000 1.191 277 I CB 1.201 39.221 38.000 0.034 0.000 1.343 277 I HN 0.411 nan 8.210 nan 0.000 0.458 278 F N 6.606 126.620 119.950 0.107 0.000 2.404 278 F HA 0.497 5.028 4.527 0.006 0.000 0.339 278 F C 0.194 176.065 175.800 0.119 0.000 1.105 278 F CA -0.402 57.654 58.000 0.094 0.000 1.087 278 F CB 1.141 40.192 39.000 0.084 0.000 1.143 278 F HN 0.148 nan 8.300 nan 0.000 0.491 279 I N 2.789 123.504 120.570 0.242 0.000 2.608 279 I HA 0.170 4.343 4.170 0.005 0.000 0.295 279 I C 0.536 176.748 176.117 0.159 0.000 1.049 279 I CA -0.519 60.886 61.300 0.175 0.000 1.063 279 I CB 1.971 40.007 38.000 0.060 0.000 1.248 279 I HN 0.663 nan 8.210 nan 0.000 0.424 280 N N 2.063 120.843 118.700 0.134 0.000 2.457 280 N HA -0.035 4.708 4.740 0.005 0.000 0.180 280 N C 0.029 175.575 175.510 0.061 0.000 1.050 280 N CA 0.590 53.699 53.050 0.098 0.000 0.906 280 N CB 0.538 39.073 38.487 0.080 0.000 0.968 280 N HN 0.763 nan 8.380 nan 0.000 0.445 281 T N -3.200 111.381 114.554 0.045 0.000 2.894 281 T HA 0.397 4.750 4.350 0.005 0.000 0.309 281 T C 0.532 175.243 174.700 0.019 0.000 1.208 281 T CA -0.858 61.256 62.100 0.023 0.000 1.016 281 T CB 2.446 71.314 68.868 0.000 0.000 1.192 281 T HN -0.217 nan 8.240 nan 0.000 0.491 282 R N 0.435 120.945 120.500 0.016 0.000 2.083 282 R HA -0.041 4.302 4.340 0.005 0.000 0.237 282 R C 2.692 179.003 176.300 0.017 0.000 1.137 282 R CA 1.961 58.070 56.100 0.015 0.000 0.951 282 R CB -0.368 29.939 30.300 0.010 0.000 0.851 282 R HN 0.751 nan 8.270 nan 0.000 0.434 283 R N 1.234 121.740 120.500 0.010 0.000 2.080 283 R HA -0.194 4.149 4.340 0.005 0.000 0.236 283 R C 2.050 178.370 176.300 0.034 0.000 1.137 283 R CA 2.093 58.202 56.100 0.015 0.000 0.943 283 R CB -0.221 30.073 30.300 -0.010 0.000 0.846 283 R HN 0.092 nan 8.270 nan 0.000 0.431 284 K N 0.243 120.639 120.400 -0.006 0.000 2.209 284 K HA -0.086 4.237 4.320 0.005 0.000 0.204 284 K C 1.869 178.527 176.600 0.098 0.000 1.048 284 K CA 1.250 57.534 56.287 -0.005 0.000 0.940 284 K CB 0.112 32.562 32.500 -0.083 0.000 0.729 284 K HN 0.129 nan 8.250 nan 0.000 0.451 285 V N 2.036 121.980 119.914 0.050 0.000 2.223 285 V HA -0.285 3.838 4.120 0.005 0.000 0.244 285 V C 1.694 177.825 176.094 0.061 0.000 1.045 285 V CA 2.223 64.541 62.300 0.029 0.000 1.000 285 V CB -0.510 31.316 31.823 0.006 0.000 0.635 285 V HN 0.405 nan 8.190 nan 0.000 0.445 286 D N -1.265 119.175 120.400 0.067 0.000 2.149 286 D HA -0.258 4.385 4.640 0.005 0.000 0.194 286 D C 1.599 177.966 176.300 0.111 0.000 1.001 286 D CA 1.663 55.703 54.000 0.065 0.000 0.849 286 D CB -0.410 40.424 40.800 0.057 0.000 0.939 286 D HN 0.620 nan 8.370 nan 0.000 0.449 287 W N 1.365 122.633 121.300 -0.054 0.000 2.292 287 W HA -0.252 4.411 4.660 0.005 0.000 0.330 287 W C 2.372 178.845 176.519 -0.076 0.000 1.264 287 W CA 1.699 59.010 57.345 -0.057 0.000 1.235 287 W CB -0.972 28.453 29.460 -0.059 0.000 1.164 287 W HN 0.051 nan 8.180 nan 0.000 0.461 288 L N 0.404 121.709 121.223 0.137 0.000 2.046 288 L HA -0.188 4.155 4.340 0.005 0.000 0.208 288 L C 2.360 179.126 176.870 -0.173 0.000 1.077 288 L CA 2.859 57.612 54.840 -0.144 0.000 0.747 288 L CB -1.322 40.664 42.059 -0.122 0.000 0.896 288 L HN 0.014 nan 8.230 nan 0.000 0.432 289 T N -0.008 114.509 114.554 -0.062 0.000 2.622 289 T HA -0.272 4.082 4.350 0.005 0.000 0.266 289 T C 1.559 176.285 174.700 0.045 0.000 1.047 289 T CA 1.965 64.069 62.100 0.007 0.000 1.159 289 T CB -0.371 68.519 68.868 0.037 0.000 0.863 289 T HN 0.723 nan 8.240 nan 0.000 0.422 290 E N 0.752 120.935 120.200 -0.028 0.000 2.427 290 E HA 0.021 4.374 4.350 0.005 0.000 0.196 290 E C 1.860 178.391 176.600 -0.115 0.000 1.028 290 E CA 0.746 57.124 56.400 -0.037 0.000 0.864 290 E CB -0.079 29.583 29.700 -0.063 0.000 0.813 290 E HN 0.302 nan 8.360 nan 0.000 0.514 291 K N -0.290 119.955 120.400 -0.258 0.000 2.459 291 K HA 0.158 4.481 4.320 0.005 0.000 0.193 291 K C 1.580 178.012 176.600 -0.280 0.000 1.030 291 K CA 0.468 56.546 56.287 -0.350 0.000 1.026 291 K CB 0.226 32.331 32.500 -0.659 0.000 0.809 291 K HN 0.267 nan 8.250 nan 0.000 0.504 292 M N -1.133 118.333 119.600 -0.223 0.000 2.615 292 M HA 0.012 4.495 4.480 0.005 0.000 0.262 292 M C 1.440 177.658 176.300 -0.137 0.000 1.198 292 M CA 0.635 55.776 55.300 -0.264 0.000 1.165 292 M CB -0.062 32.332 32.600 -0.343 0.000 1.310 292 M HN 0.196 nan 8.290 nan 0.000 0.494 293 H N 0.551 119.577 119.070 -0.074 0.000 2.387 293 H HA -0.027 4.532 4.556 0.005 0.000 0.299 293 H C 2.108 177.429 175.328 -0.012 0.000 1.090 293 H CA 1.769 57.805 56.048 -0.020 0.000 1.332 293 H CB 0.026 29.769 29.762 -0.031 0.000 1.386 293 H HN 0.367 nan 8.280 nan 0.000 0.516 294 A N 1.143 123.998 122.820 0.058 0.000 2.032 294 A HA -0.210 4.114 4.320 0.005 0.000 0.221 294 A C 2.266 179.864 177.584 0.024 0.000 1.165 294 A CA 1.624 53.667 52.037 0.010 0.000 0.645 294 A CB -0.330 18.640 19.000 -0.050 0.000 0.807 294 A HN 0.327 nan 8.150 nan 0.000 0.453 295 R N -1.649 118.877 120.500 0.044 0.000 2.362 295 R HA 0.161 4.504 4.340 0.005 0.000 0.227 295 R C -0.287 176.194 176.300 0.302 0.000 0.905 295 R CA 0.469 56.659 56.100 0.150 0.000 1.067 295 R CB 0.411 30.747 30.300 0.060 0.000 1.078 295 R HN 0.357 nan 8.270 nan 0.000 0.516 296 D N -1.667 118.830 120.400 0.160 0.000 2.802 296 D HA -0.148 4.495 4.640 0.005 0.000 0.191 296 D C -0.996 175.248 176.300 -0.092 0.000 0.962 296 D CA 0.957 54.961 54.000 0.007 0.000 1.004 296 D CB -1.180 39.570 40.800 -0.084 0.000 1.055 296 D HN 0.089 nan 8.370 nan 0.000 0.451 297 F N 1.955 121.759 119.950 -0.244 0.000 2.406 297 F HA 0.291 4.821 4.527 0.005 0.000 0.358 297 F C 1.338 176.886 175.800 -0.419 0.000 1.161 297 F CA -0.771 57.046 58.000 -0.306 0.000 1.185 297 F CB 0.006 38.590 39.000 -0.694 0.000 1.421 297 F HN -0.243 nan 8.300 nan 0.000 0.576 298 T N -0.010 114.430 114.554 -0.190 0.000 2.946 298 T HA 0.426 4.779 4.350 0.005 0.000 0.311 298 T C -0.267 174.311 174.700 -0.203 0.000 1.063 298 T CA -0.533 61.346 62.100 -0.369 0.000 1.139 298 T CB 1.535 70.379 68.868 -0.040 0.000 0.994 298 T HN 0.518 nan 8.240 nan 0.000 0.547 299 V N 1.249 121.051 119.914 -0.187 0.000 3.098 299 V HA 0.565 4.689 4.120 0.005 0.000 0.294 299 V C -0.907 175.305 176.094 0.197 0.000 1.351 299 V CA -0.757 61.566 62.300 0.038 0.000 0.999 299 V CB 2.516 34.315 31.823 -0.040 0.000 1.104 299 V HN 1.189 nan 8.190 nan 0.000 0.438 300 S N 3.469 119.233 115.700 0.107 0.000 2.565 300 S HA 0.933 5.406 4.470 0.005 0.000 0.290 300 S C -0.183 174.437 174.600 0.035 0.000 1.150 300 S CA 0.052 58.299 58.200 0.079 0.000 1.058 300 S CB 1.643 64.870 63.200 0.045 0.000 1.032 300 S HN 1.487 nan 8.310 nan 0.000 0.510 301 A N 2.817 125.648 122.820 0.018 0.000 2.365 301 A HA 0.876 5.199 4.320 0.005 0.000 0.318 301 A C -0.444 177.130 177.584 -0.018 0.000 1.091 301 A CA -0.871 51.163 52.037 -0.006 0.000 0.763 301 A CB 0.765 19.764 19.000 -0.002 0.000 1.248 301 A HN 0.864 nan 8.150 nan 0.000 0.442 306 M N 0.564 120.152 119.600 -0.021 0.000 2.456 306 M HA 0.510 4.993 4.480 0.005 0.000 0.324 306 M C -0.032 176.251 176.300 -0.028 0.000 1.124 306 M CA -0.496 54.791 55.300 -0.022 0.000 0.959 306 M CB 2.127 34.716 32.600 -0.018 0.000 1.692 306 M HN -0.096 nan 8.290 nan 0.000 0.444 307 D N 2.268 122.649 120.400 -0.033 0.000 2.248 307 D HA -0.260 4.383 4.640 0.005 0.000 0.189 307 D C 1.555 177.830 176.300 -0.041 0.000 1.011 307 D CA 2.260 56.235 54.000 -0.043 0.000 0.868 307 D CB -0.170 40.604 40.800 -0.044 0.000 0.931 307 D HN 0.810 nan 8.370 nan 0.000 0.449 308 Q N 0.133 119.915 119.800 -0.030 0.000 1.993 308 Q HA -0.087 4.256 4.340 0.005 0.000 0.202 308 Q C 2.183 178.169 176.000 -0.023 0.000 0.984 308 Q CA 1.373 57.161 55.803 -0.025 0.000 0.837 308 Q CB 0.048 28.775 28.738 -0.018 0.000 0.902 308 Q HN 0.251 nan 8.270 nan 0.000 0.423 309 K N 0.108 120.496 120.400 -0.021 0.000 2.280 309 K HA -0.168 4.155 4.320 0.005 0.000 0.202 309 K C 1.796 178.382 176.600 -0.023 0.000 1.047 309 K CA 0.991 57.266 56.287 -0.020 0.000 0.942 309 K CB 0.059 32.548 32.500 -0.019 0.000 0.739 309 K HN 0.258 nan 8.250 nan 0.000 0.457 310 E N 0.968 121.150 120.200 -0.030 0.000 2.045 310 E HA -0.086 4.268 4.350 0.005 0.000 0.190 310 E C 2.001 178.573 176.600 -0.047 0.000 0.968 310 E CA 0.133 56.511 56.400 -0.037 0.000 0.813 310 E CB 0.122 29.797 29.700 -0.043 0.000 0.780 310 E HN 0.082 nan 8.360 nan 0.000 0.455 311 R N 0.799 121.265 120.500 -0.058 0.000 2.246 311 R HA -0.292 4.051 4.340 0.005 0.000 0.266 311 R C 1.488 177.758 176.300 -0.050 0.000 1.163 311 R CA 2.297 58.355 56.100 -0.071 0.000 0.992 311 R CB -0.247 30.017 30.300 -0.061 0.000 0.895 311 R HN 0.222 nan 8.270 nan 0.000 0.465 312 D N -0.562 119.821 120.400 -0.029 0.000 2.081 312 D HA -0.128 4.516 4.640 0.005 0.000 0.194 312 D C 2.000 178.299 176.300 -0.001 0.000 0.986 312 D CA 1.887 55.881 54.000 -0.010 0.000 0.837 312 D CB -0.473 40.323 40.800 -0.007 0.000 0.985 312 D HN 0.103 nan 8.370 nan 0.000 0.448 313 V N 2.060 121.971 119.914 -0.004 0.000 2.313 313 V HA -0.285 3.838 4.120 0.005 0.000 0.253 313 V C 2.438 178.536 176.094 0.007 0.000 1.070 313 V CA 1.971 64.272 62.300 0.002 0.000 1.057 313 V CB -0.871 30.948 31.823 -0.008 0.000 0.653 313 V HN 0.327 nan 8.190 nan 0.000 0.450 314 I N -2.509 118.047 120.570 -0.023 0.000 2.716 314 I HA -0.062 4.111 4.170 0.005 0.000 0.259 314 I C 2.320 178.430 176.117 -0.011 0.000 1.172 314 I CA 1.471 62.742 61.300 -0.050 0.000 1.478 314 I CB -0.389 37.515 38.000 -0.160 0.000 1.104 314 I HN 0.280 nan 8.210 nan 0.000 0.439 315 M N 0.931 120.531 119.600 0.002 0.000 2.334 315 M HA -0.008 4.476 4.480 0.005 0.000 0.266 315 M C 2.383 178.742 176.300 0.098 0.000 1.082 315 M CA 1.327 56.656 55.300 0.049 0.000 1.141 315 M CB 0.101 32.708 32.600 0.012 0.000 1.380 315 M HN 0.112 nan 8.290 nan 0.000 0.440 316 R N -0.682 119.859 120.500 0.068 0.000 2.265 316 R HA -0.015 4.329 4.340 0.005 0.000 0.194 316 R C 1.520 177.862 176.300 0.071 0.000 0.931 316 R CA 0.424 56.561 56.100 0.060 0.000 1.032 316 R CB 0.349 30.671 30.300 0.037 0.000 0.980 316 R HN 0.212 nan 8.270 nan 0.000 0.497 317 E N 0.454 120.710 120.200 0.093 0.000 2.014 317 E HA -0.014 4.340 4.350 0.005 0.000 0.190 317 E C 0.179 176.877 176.600 0.164 0.000 0.980 317 E CA 0.436 56.899 56.400 0.105 0.000 0.807 317 E CB -0.459 29.299 29.700 0.097 0.000 0.770 317 E HN -0.016 nan 8.360 nan 0.000 0.451 326 L N 5.406 126.634 121.223 0.008 0.000 2.385 326 L HA 0.823 5.166 4.340 0.005 0.000 0.273 326 L C -0.801 176.012 176.870 -0.093 0.000 0.990 326 L CA -0.427 54.393 54.840 -0.033 0.000 0.821 326 L CB 1.808 43.838 42.059 -0.049 0.000 1.279 326 L HN 0.731 nan 8.230 nan 0.000 0.412 327 I N 4.453 124.970 120.570 -0.089 0.000 2.382 327 I HA 0.453 4.626 4.170 0.005 0.000 0.285 327 I C -0.093 175.940 176.117 -0.139 0.000 1.007 327 I CA -0.221 61.002 61.300 -0.127 0.000 1.142 327 I CB 1.597 39.550 38.000 -0.079 0.000 1.289 327 I HN 0.670 nan 8.210 nan 0.000 0.453 328 T N -0.068 114.346 114.554 -0.233 0.000 2.926 328 T HA 0.472 4.825 4.350 0.005 0.000 0.289 328 T C 0.931 175.583 174.700 -0.079 0.000 1.054 328 T CA -0.286 61.723 62.100 -0.151 0.000 1.015 328 T CB 1.716 70.482 68.868 -0.170 0.000 1.167 328 T HN 0.565 nan 8.240 nan 0.000 0.526 329 T N -0.275 114.288 114.554 0.015 0.000 2.700 329 T HA 0.106 4.459 4.350 0.005 0.000 0.226 329 T C 0.821 175.658 174.700 0.227 0.000 1.209 329 T CA 1.974 64.128 62.100 0.091 0.000 1.755 329 T CB -0.766 68.145 68.868 0.071 0.000 1.080 329 T HN 0.909 nan 8.240 nan 0.000 0.380 330 D N -1.938 118.602 120.400 0.234 0.000 1.367 330 D HA -0.009 4.634 4.640 0.005 0.000 0.758 330 D C 1.310 177.702 176.300 0.155 0.000 0.713 330 D CA 0.359 54.536 54.000 0.296 0.000 1.249 330 D CB -0.965 39.947 40.800 0.187 0.000 1.531 330 D HN 0.245 nan 8.370 nan 0.000 0.449 331 L N 2.046 123.323 121.223 0.090 0.000 1.933 331 L HA -0.009 4.334 4.340 0.005 0.000 0.220 331 L C 1.935 178.835 176.870 0.051 0.000 1.078 331 L CA 2.527 57.394 54.840 0.044 0.000 0.773 331 L CB -1.556 40.520 42.059 0.028 0.000 0.890 331 L HN 0.445 nan 8.230 nan 0.000 0.434 332 L N -0.360 120.894 121.223 0.051 0.000 2.353 332 L HA 0.146 4.489 4.340 0.005 0.000 0.220 332 L C 2.587 179.498 176.870 0.068 0.000 1.133 332 L CA 1.420 56.282 54.840 0.036 0.000 0.798 332 L CB -2.877 39.189 42.059 0.011 0.000 0.922 332 L HN 0.316 nan 8.230 nan 0.000 0.445 333 A N 0.673 123.584 122.820 0.153 0.000 1.984 333 A HA -0.367 3.956 4.320 0.005 0.000 0.224 333 A C 2.464 180.142 177.584 0.157 0.000 1.256 333 A CA 2.586 54.776 52.037 0.255 0.000 0.679 333 A CB -0.697 18.608 19.000 0.508 0.000 0.829 333 A HN 0.458 nan 8.150 nan 0.000 0.483 334 R N -0.813 119.741 120.500 0.091 0.000 2.235 334 R HA 0.053 4.397 4.340 0.005 0.000 0.213 334 R C 2.037 178.348 176.300 0.019 0.000 1.059 334 R CA 0.818 56.954 56.100 0.061 0.000 0.997 334 R CB -0.726 29.598 30.300 0.040 0.000 0.884 334 R HN 0.501 nan 8.270 nan 0.000 0.462 335 G N 0.812 109.612 108.800 0.000 0.000 2.807 335 G HA2 0.030 3.994 3.960 0.005 0.000 0.207 335 G HA3 0.030 3.994 3.960 0.005 0.000 0.207 335 G C 0.336 175.192 174.900 -0.072 0.000 1.151 335 G CA 0.363 45.432 45.100 -0.052 0.000 0.800 335 G HN 0.273 nan 8.290 nan 0.000 0.523 336 I N -2.941 117.625 120.570 -0.008 0.000 2.680 336 I HA 0.361 4.534 4.170 0.005 0.000 0.291 336 I C -2.251 173.944 176.117 0.131 0.000 1.244 336 I CA -1.551 59.770 61.300 0.034 0.000 1.042 336 I CB 1.783 39.815 38.000 0.054 0.000 1.277 336 I HN -0.185 nan 8.210 nan 0.000 0.423 337 D N 5.505 126.048 120.400 0.237 0.000 2.367 337 D HA 0.213 4.856 4.640 0.005 0.000 0.255 337 D C 1.375 177.775 176.300 0.167 0.000 1.300 337 D CA -0.121 54.019 54.000 0.234 0.000 0.959 337 D CB 0.747 41.749 40.800 0.336 0.000 1.064 337 D HN 0.463 nan 8.370 nan 0.000 0.509 338 V N 1.727 121.730 119.914 0.148 0.000 3.541 338 V HA -0.086 4.038 4.120 0.005 0.000 0.272 338 V C 1.483 177.631 176.094 0.090 0.000 1.215 338 V CA 0.773 63.154 62.300 0.135 0.000 1.176 338 V CB -0.851 31.083 31.823 0.185 0.000 0.854 338 V HN 0.476 nan 8.190 nan 0.000 0.496 339 Q N -0.104 119.741 119.800 0.074 0.000 2.356 339 Q HA 0.127 4.470 4.340 0.005 0.000 0.205 339 Q C 1.570 177.587 176.000 0.030 0.000 0.901 339 Q CA 0.263 56.093 55.803 0.046 0.000 0.938 339 Q CB 0.385 29.151 28.738 0.046 0.000 1.081 339 Q HN 0.665 nan 8.270 nan 0.000 0.517 340 Q N 0.591 120.407 119.800 0.027 0.000 2.172 340 Q HA 0.173 4.516 4.340 0.005 0.000 0.217 340 Q C -0.820 175.188 176.000 0.012 0.000 0.832 340 Q CA -0.057 55.748 55.803 0.003 0.000 1.010 340 Q CB 1.198 29.918 28.738 -0.031 0.000 1.133 340 Q HN 0.030 nan 8.270 nan 0.000 0.489 341 V N 1.479 121.412 119.914 0.032 0.000 2.370 341 V HA 0.085 4.208 4.120 0.005 0.000 0.283 341 V C 1.131 177.247 176.094 0.035 0.000 1.023 341 V CA -0.058 62.264 62.300 0.036 0.000 0.857 341 V CB 1.543 33.399 31.823 0.055 0.000 0.985 341 V HN 0.266 nan 8.190 nan 0.000 0.443 342 S N 4.419 120.135 115.700 0.026 0.000 2.428 342 S HA 0.071 4.544 4.470 0.005 0.000 0.230 342 S C 0.328 174.952 174.600 0.040 0.000 1.014 342 S CA 0.499 58.715 58.200 0.026 0.000 0.957 342 S CB -0.060 63.148 63.200 0.013 0.000 0.784 342 S HN 0.526 nan 8.310 nan 0.000 0.499 343 L N 1.718 122.968 121.223 0.046 0.000 2.404 343 L HA 0.668 5.011 4.340 0.005 0.000 0.272 343 L C -1.363 175.559 176.870 0.087 0.000 0.980 343 L CA -0.710 54.168 54.840 0.063 0.000 0.836 343 L CB 2.094 44.182 42.059 0.049 0.000 1.238 343 L HN -0.005 nan 8.230 nan 0.000 0.408 344 V N 6.468 126.449 119.914 0.111 0.000 2.495 344 V HA 0.550 4.673 4.120 0.005 0.000 0.298 344 V C -0.146 176.053 176.094 0.176 0.000 1.031 344 V CA -0.398 61.999 62.300 0.161 0.000 0.871 344 V CB 1.825 33.749 31.823 0.168 0.000 0.988 344 V HN 0.626 nan 8.190 nan 0.000 0.432 345 I N 4.064 124.764 120.570 0.217 0.000 2.439 345 I HA 0.389 4.562 4.170 0.005 0.000 0.285 345 I C -0.375 175.919 176.117 0.295 0.000 1.021 345 I CA -0.501 60.935 61.300 0.225 0.000 1.091 345 I CB 1.789 39.911 38.000 0.204 0.000 1.242 345 I HN 0.501 nan 8.210 nan 0.000 0.439 346 N N 5.743 124.607 118.700 0.274 0.000 2.482 346 N HA 0.042 4.785 4.740 0.005 0.000 0.242 346 N C 0.451 176.129 175.510 0.281 0.000 1.100 346 N CA 0.046 53.272 53.050 0.293 0.000 0.946 346 N CB 0.540 39.176 38.487 0.248 0.000 1.227 346 N HN 0.548 nan 8.380 nan 0.000 0.508 347 Y N 1.725 122.133 120.300 0.181 0.000 2.184 347 Y HA -0.036 4.517 4.550 0.005 0.000 0.290 347 Y C 0.270 176.252 175.900 0.135 0.000 1.129 347 Y CA 1.149 59.337 58.100 0.148 0.000 1.144 347 Y CB 0.437 38.980 38.460 0.138 0.000 0.995 347 Y HN 0.314 nan 8.280 nan 0.000 0.513 348 D N -0.225 120.394 120.400 0.366 0.000 2.332 348 D HA 0.309 4.953 4.640 0.005 0.000 0.252 348 D C -1.446 174.963 176.300 0.181 0.000 1.050 348 D CA -0.312 53.823 54.000 0.225 0.000 0.970 348 D CB 1.645 42.581 40.800 0.226 0.000 1.141 348 D HN -0.028 nan 8.370 nan 0.000 0.485 349 L N 1.857 123.157 121.223 0.128 0.000 2.317 349 L HA 0.400 4.743 4.340 0.005 0.000 0.281 349 L C -2.279 174.652 176.870 0.101 0.000 1.024 349 L CA -1.988 52.926 54.840 0.123 0.000 0.810 349 L CB 1.465 43.573 42.059 0.082 0.000 1.240 349 L HN 0.134 nan 8.230 nan 0.000 0.427 350 P HA 0.081 nan 4.420 nan 0.000 0.265 350 P C 0.752 178.074 177.300 0.036 0.000 1.222 350 P CA -0.013 63.132 63.100 0.075 0.000 0.767 350 P CB 0.289 32.048 31.700 0.099 0.000 0.801 351 T N -0.119 114.451 114.554 0.026 0.000 2.833 351 T HA -0.159 4.194 4.350 0.005 0.000 0.269 351 T C 0.889 175.581 174.700 -0.014 0.000 1.054 351 T CA 0.812 62.916 62.100 0.006 0.000 1.135 351 T CB -0.473 68.401 68.868 0.009 0.000 0.869 351 T HN 0.279 nan 8.240 nan 0.000 0.466 352 N N 1.125 119.817 118.700 -0.013 0.000 2.420 352 N HA 0.201 4.945 4.740 0.005 0.000 0.249 352 N C 1.022 176.480 175.510 -0.086 0.000 1.033 352 N CA -0.270 52.758 53.050 -0.037 0.000 0.944 352 N CB 0.896 39.375 38.487 -0.014 0.000 1.113 352 N HN 0.331 nan 8.380 nan 0.000 0.502 353 R N 1.866 122.231 120.500 -0.225 0.000 2.094 353 R HA -0.141 4.203 4.340 0.005 0.000 0.239 353 R C 1.264 177.305 176.300 -0.432 0.000 1.137 353 R CA 1.181 56.988 56.100 -0.488 0.000 0.943 353 R CB -0.004 29.648 30.300 -1.080 0.000 0.850 353 R HN 0.603 nan 8.270 nan 0.000 0.433 354 E N 0.541 120.464 120.200 -0.462 0.000 2.236 354 E HA -0.254 4.099 4.350 0.005 0.000 0.205 354 E C 1.363 178.097 176.600 0.225 0.000 1.028 354 E CA 1.478 57.858 56.400 -0.033 0.000 0.827 354 E CB -0.333 29.406 29.700 0.064 0.000 0.735 354 E HN 0.289 nan 8.360 nan 0.000 0.470 355 N N -0.948 117.845 118.700 0.154 0.000 2.467 355 N HA -0.090 4.653 4.740 0.005 0.000 0.184 355 N C 1.379 176.977 175.510 0.147 0.000 1.106 355 N CA 0.068 53.233 53.050 0.191 0.000 0.892 355 N CB -0.015 38.502 38.487 0.049 0.000 0.969 355 N HN 0.141 nan 8.380 nan 0.000 0.454 356 Y N 0.849 121.160 120.300 0.019 0.000 2.089 356 Y HA -0.152 4.401 4.550 0.005 0.000 0.282 356 Y C 2.060 177.868 175.900 -0.152 0.000 1.139 356 Y CA 1.475 59.543 58.100 -0.054 0.000 1.123 356 Y CB -0.622 37.862 38.460 0.040 0.000 0.980 356 Y HN 0.113 nan 8.280 nan 0.000 0.493 357 I N 0.060 120.518 120.570 -0.186 0.000 2.248 357 I HA -0.374 3.799 4.170 0.005 0.000 0.248 357 I C 2.337 178.245 176.117 -0.348 0.000 1.107 357 I CA 1.918 62.962 61.300 -0.426 0.000 1.373 357 I CB -0.692 37.038 38.000 -0.450 0.000 1.055 357 I HN 0.342 nan 8.210 nan 0.000 0.418 358 H N 0.377 119.346 119.070 -0.169 0.000 2.422 358 H HA -0.135 4.424 4.556 0.005 0.000 0.298 358 H C 2.402 177.582 175.328 -0.248 0.000 1.098 358 H CA 1.669 57.629 56.048 -0.146 0.000 1.315 358 H CB -0.046 29.660 29.762 -0.094 0.000 1.382 358 H HN 0.405 nan 8.280 nan 0.000 0.523 359 R N -0.145 120.154 120.500 -0.335 0.000 2.046 359 R HA 0.038 4.381 4.340 0.005 0.000 0.223 359 R C 2.513 178.588 176.300 -0.376 0.000 1.179 359 R CA 0.825 56.516 56.100 -0.682 0.000 0.952 359 R CB -0.013 29.652 30.300 -1.057 0.000 0.843 359 R HN 0.192 nan 8.270 nan 0.000 0.439 360 I N 0.001 120.286 120.570 -0.475 0.000 2.404 360 I HA 0.084 4.257 4.170 0.005 0.000 0.231 360 I C 1.182 177.153 176.117 -0.243 0.000 1.064 360 I CA 1.150 62.237 61.300 -0.356 0.000 1.383 360 I CB -0.843 36.789 38.000 -0.613 0.000 1.171 360 I HN 0.230 nan 8.210 nan 0.000 0.422 361 G N 0.167 108.772 108.800 -0.325 0.000 2.529 361 G HA2 0.199 4.162 3.960 0.005 0.000 0.277 361 G HA3 0.199 4.162 3.960 0.005 0.000 0.277 361 G C 0.160 174.974 174.900 -0.144 0.000 1.383 361 G CA -0.212 44.761 45.100 -0.211 0.000 1.050 361 G HN 0.612 nan 8.290 nan 0.000 0.526 362 R N -1.442 118.995 120.500 -0.105 0.000 2.606 362 R HA 0.150 4.493 4.340 0.005 0.000 0.039 362 R C 0.610 176.896 176.300 -0.023 0.000 0.499 362 R CA 0.245 56.311 56.100 -0.056 0.000 0.745 362 R CB -1.124 29.162 30.300 -0.024 0.000 0.819 362 R HN 1.907 nan 8.270 nan 0.000 0.599 363 G N 0.306 109.091 108.800 -0.026 0.000 2.804 363 G HA2 -0.124 3.840 3.960 0.005 0.000 0.230 363 G HA3 -0.124 3.840 3.960 0.005 0.000 0.230 363 G C 0.034 174.940 174.900 0.010 0.000 1.386 363 G CA -0.337 44.766 45.100 0.005 0.000 0.875 363 G HN 0.485 nan 8.290 nan 0.000 0.557 364 G N -1.229 107.583 108.800 0.021 0.000 2.600 364 G HA2 0.845 4.808 3.960 0.005 0.000 0.303 364 G HA3 0.845 4.808 3.960 0.005 0.000 0.303 364 G C 0.310 175.214 174.900 0.007 0.000 1.253 364 G CA 0.120 45.224 45.100 0.006 0.000 0.974 364 G HN 1.547 nan 8.290 nan 0.000 0.483 365 R N -0.723 119.750 120.500 -0.044 0.000 2.505 365 R HA -0.079 4.264 4.340 0.005 0.000 0.274 365 R C -0.981 175.283 176.300 -0.060 0.000 0.955 365 R CA 0.053 56.077 56.100 -0.126 0.000 1.109 365 R CB -0.137 29.999 30.300 -0.274 0.000 0.890 365 R HN 0.178 nan 8.270 nan 0.000 0.415 366 F N 4.138 124.094 119.950 0.009 0.000 2.484 366 F HA 0.103 4.636 4.527 0.009 0.000 0.355 366 F C 1.575 177.381 175.800 0.010 0.000 1.170 366 F CA 1.842 59.848 58.000 0.011 0.000 1.025 366 F CB -0.276 38.733 39.000 0.014 0.000 1.107 366 F HN 0.912 nan 8.300 nan 0.000 0.589 367 G N 4.886 113.702 108.800 0.026 0.000 2.936 367 G HA2 -0.116 3.847 3.960 0.005 0.000 0.316 367 G HA3 -0.116 3.847 3.960 0.005 0.000 0.316 367 G C 0.085 175.018 174.900 0.054 0.000 0.207 367 G CA 0.057 45.176 45.100 0.032 0.000 1.229 367 G HN 0.796 nan 8.290 nan 0.000 0.331 368 R N 0.772 121.288 120.500 0.026 0.000 3.442 368 R HA 0.326 4.669 4.340 0.005 0.000 0.264 368 R C -0.364 175.938 176.300 0.003 0.000 0.875 368 R CA -0.534 55.569 56.100 0.005 0.000 0.783 368 R CB 0.346 30.647 30.300 0.003 0.000 1.501 368 R HN 0.739 nan 8.270 nan 0.000 0.491 369 K N -2.295 118.105 120.400 -0.000 0.000 6.404 369 K HA 0.089 4.413 4.320 0.005 0.000 0.835 369 K C -0.347 176.258 176.600 0.008 0.000 0.892 369 K CA 0.511 56.801 56.287 0.005 0.000 1.089 369 K CB -0.939 31.562 32.500 0.001 0.000 2.096 369 K HN 0.751 nan 8.250 nan 0.000 1.063 370 G N 0.136 108.946 108.800 0.017 0.000 3.385 370 G HA2 0.567 4.530 3.960 0.005 0.000 0.179 370 G HA3 0.567 4.530 3.960 0.005 0.000 0.179 370 G C -0.679 174.252 174.900 0.053 0.000 1.433 370 G CA 0.548 45.667 45.100 0.031 0.000 1.086 370 G HN 1.035 nan 8.290 nan 0.000 0.763 371 V N -2.241 117.717 119.914 0.073 0.000 3.216 371 V HA 0.937 5.060 4.120 0.005 0.000 0.302 371 V C -1.362 174.804 176.094 0.120 0.000 1.286 371 V CA -0.097 62.273 62.300 0.117 0.000 1.048 371 V CB 1.467 33.416 31.823 0.211 0.000 1.081 371 V HN 1.969 nan 8.190 nan 0.000 0.442 372 A N 3.289 126.200 122.820 0.152 0.000 2.515 372 A HA 0.949 5.273 4.320 0.005 0.000 0.298 372 A C -1.322 176.394 177.584 0.219 0.000 1.059 372 A CA -0.624 51.497 52.037 0.141 0.000 0.698 372 A CB 1.737 20.771 19.000 0.057 0.000 1.289 372 A HN 1.184 nan 8.150 nan 0.000 0.404 373 I N 1.481 122.178 120.570 0.212 0.000 2.466 373 I HA 0.278 4.451 4.170 0.005 0.000 0.289 373 I C -0.622 175.632 176.117 0.228 0.000 1.026 373 I CA -0.399 61.046 61.300 0.241 0.000 1.078 373 I CB 2.327 40.435 38.000 0.180 0.000 1.249 373 I HN 0.755 nan 8.210 nan 0.000 0.429 374 N N 6.863 125.716 118.700 0.254 0.000 2.421 374 N HA 0.521 5.264 4.740 0.005 0.000 0.285 374 N C -0.955 174.668 175.510 0.189 0.000 1.027 374 N CA -0.598 52.595 53.050 0.239 0.000 0.918 374 N CB 1.390 40.040 38.487 0.272 0.000 1.152 374 N HN 0.420 nan 8.380 nan 0.000 0.485 375 M N 2.962 122.641 119.600 0.132 0.000 2.069 375 M HA 0.254 4.738 4.480 0.005 0.000 0.349 375 M C -0.680 175.660 176.300 0.068 0.000 1.194 375 M CA -0.919 54.420 55.300 0.065 0.000 1.081 375 M CB 0.571 33.146 32.600 -0.042 0.000 1.500 375 M HN 0.267 nan 8.290 nan 0.000 0.438 376 V N 0.873 120.857 119.914 0.116 0.000 2.483 376 V HA 0.731 4.854 4.120 0.005 0.000 0.295 376 V C 0.319 176.466 176.094 0.089 0.000 1.035 376 V CA -0.712 61.654 62.300 0.109 0.000 0.896 376 V CB 1.084 33.001 31.823 0.155 0.000 0.986 376 V HN 0.849 nan 8.190 nan 0.000 0.447 377 T N 0.363 114.952 114.554 0.059 0.000 2.810 377 T HA 0.369 4.723 4.350 0.005 0.000 0.277 377 T C 0.896 175.633 174.700 0.063 0.000 0.973 377 T CA -0.100 62.035 62.100 0.059 0.000 0.949 377 T CB 1.220 70.112 68.868 0.039 0.000 1.075 377 T HN 0.666 nan 8.240 nan 0.000 0.537 378 E N 0.510 120.749 120.200 0.065 0.000 2.033 378 E HA -0.176 4.177 4.350 0.005 0.000 0.199 378 E C 2.006 178.627 176.600 0.036 0.000 1.011 378 E CA 1.779 58.212 56.400 0.054 0.000 0.815 378 E CB -0.567 29.167 29.700 0.056 0.000 0.755 378 E HN 0.894 nan 8.360 nan 0.000 0.451 379 E N 0.312 120.530 120.200 0.030 0.000 2.097 379 E HA -0.196 4.157 4.350 0.005 0.000 0.196 379 E C 1.279 177.887 176.600 0.014 0.000 1.000 379 E CA 1.527 57.938 56.400 0.018 0.000 0.804 379 E CB 0.004 29.712 29.700 0.013 0.000 0.740 379 E HN 0.128 nan 8.360 nan 0.000 0.454 380 D N -0.322 120.089 120.400 0.019 0.000 2.371 380 D HA -0.082 4.561 4.640 0.005 0.000 0.221 380 D C 1.385 177.687 176.300 0.004 0.000 0.986 380 D CA 0.378 54.387 54.000 0.015 0.000 0.899 380 D CB 0.037 40.853 40.800 0.026 0.000 0.902 380 D HN -0.016 nan 8.370 nan 0.000 0.530 381 K N 1.378 121.783 120.400 0.007 0.000 2.000 381 K HA -0.226 4.098 4.320 0.005 0.000 0.218 381 K C 1.948 178.526 176.600 -0.038 0.000 1.053 381 K CA 1.668 57.948 56.287 -0.011 0.000 0.946 381 K CB -0.128 32.373 32.500 0.001 0.000 0.723 381 K HN 0.242 nan 8.250 nan 0.000 0.446 382 R N -1.129 119.356 120.500 -0.026 0.000 2.080 382 R HA -0.139 4.205 4.340 0.005 0.000 0.236 382 R C 2.382 178.660 176.300 -0.037 0.000 1.137 382 R CA 1.998 58.080 56.100 -0.030 0.000 0.943 382 R CB -1.499 28.791 30.300 -0.018 0.000 0.846 382 R HN 0.182 nan 8.270 nan 0.000 0.431 383 T N 0.728 115.265 114.554 -0.029 0.000 2.778 383 T HA -0.124 4.230 4.350 0.005 0.000 0.269 383 T C 1.689 176.354 174.700 -0.060 0.000 1.050 383 T CA 1.466 63.546 62.100 -0.034 0.000 1.137 383 T CB -0.149 68.708 68.868 -0.019 0.000 0.860 383 T HN 0.280 nan 8.240 nan 0.000 0.468 384 L N 0.274 121.455 121.223 -0.071 0.000 2.095 384 L HA 0.260 4.603 4.340 0.005 0.000 0.204 384 L C 2.618 179.414 176.870 -0.124 0.000 1.080 384 L CA 1.447 56.222 54.840 -0.108 0.000 0.759 384 L CB -0.326 41.668 42.059 -0.108 0.000 0.914 384 L HN 0.054 nan 8.230 nan 0.000 0.439 385 R N -0.261 120.173 120.500 -0.110 0.000 2.200 385 R HA -0.152 4.191 4.340 0.005 0.000 0.234 385 R C 1.603 177.866 176.300 -0.062 0.000 1.127 385 R CA 1.350 57.394 56.100 -0.094 0.000 0.989 385 R CB -0.261 29.990 30.300 -0.082 0.000 0.869 385 R HN 0.511 nan 8.270 nan 0.000 0.459 386 D N 0.344 120.712 120.400 -0.053 0.000 2.110 386 D HA -0.109 4.534 4.640 0.005 0.000 0.202 386 D C 1.937 178.232 176.300 -0.009 0.000 0.975 386 D CA 0.866 54.855 54.000 -0.018 0.000 0.839 386 D CB -0.049 40.746 40.800 -0.008 0.000 0.996 386 D HN 0.086 nan 8.370 nan 0.000 0.464 387 I N 1.597 122.113 120.570 -0.090 0.000 2.185 387 I HA -0.243 3.931 4.170 0.005 0.000 0.246 387 I C 2.225 178.327 176.117 -0.026 0.000 1.088 387 I CA 1.271 62.480 61.300 -0.151 0.000 1.347 387 I CB -1.049 36.706 38.000 -0.409 0.000 1.041 387 I HN 0.121 nan 8.210 nan 0.000 0.415 388 E N 0.370 120.541 120.200 -0.048 0.000 2.153 388 E HA -0.188 4.165 4.350 0.005 0.000 0.194 388 E C 2.039 178.658 176.600 0.032 0.000 0.988 388 E CA 1.990 58.388 56.400 -0.004 0.000 0.811 388 E CB 0.090 29.761 29.700 -0.047 0.000 0.746 388 E HN 0.657 nan 8.360 nan 0.000 0.466 389 T N -2.022 112.541 114.554 0.014 0.000 3.057 389 T HA -0.001 4.352 4.350 0.005 0.000 0.254 389 T C 1.512 176.200 174.700 -0.020 0.000 1.094 389 T CA -0.197 61.900 62.100 -0.004 0.000 1.088 389 T CB -0.189 68.661 68.868 -0.030 0.000 0.934 389 T HN 0.017 nan 8.240 nan 0.000 0.497 390 F N 2.577 122.422 119.950 -0.174 0.000 2.014 390 F HA 0.129 4.659 4.527 0.005 0.000 0.295 390 F C 0.188 175.762 175.800 -0.378 0.000 1.145 390 F CA 0.314 58.116 58.000 -0.331 0.000 1.178 390 F CB -0.343 38.342 39.000 -0.526 0.000 0.972 390 F HN 0.130 nan 8.300 nan 0.000 0.476 391 Y N 0.953 121.457 120.300 0.339 0.000 2.436 391 Y HA 0.170 4.723 4.550 0.004 0.000 0.343 391 Y C 0.572 176.524 175.900 0.086 0.000 1.008 391 Y CA -1.026 57.184 58.100 0.184 0.000 1.241 391 Y CB -0.617 37.950 38.460 0.177 0.000 1.153 391 Y HN 0.016 nan 8.280 nan 0.000 0.521 392 N N 2.541 121.327 118.700 0.144 0.000 2.850 392 N HA -0.096 4.647 4.740 0.005 0.000 0.324 392 N C -0.620 174.942 175.510 0.087 0.000 1.182 392 N CA 0.457 53.553 53.050 0.076 0.000 1.177 392 N CB -0.245 38.265 38.487 0.039 0.000 1.424 392 N HN 0.683 nan 8.380 nan 0.000 0.536 393 T N -0.397 114.221 114.554 0.107 0.000 2.916 393 T HA 0.483 4.836 4.350 0.005 0.000 0.292 393 T C -0.813 173.912 174.700 0.042 0.000 1.055 393 T CA -0.564 61.586 62.100 0.083 0.000 1.009 393 T CB 0.948 69.889 68.868 0.121 0.000 1.118 393 T HN 0.070 nan 8.240 nan 0.000 0.497 394 S N 2.299 118.010 115.700 0.017 0.000 2.437 394 S HA 0.611 5.084 4.470 0.005 0.000 0.305 394 S C -0.522 174.063 174.600 -0.025 0.000 1.109 394 S CA -0.588 57.608 58.200 -0.007 0.000 1.099 394 S CB 0.283 63.477 63.200 -0.011 0.000 1.004 394 S HN 0.522 nan 8.310 nan 0.000 0.475 395 I N 3.455 124.011 120.570 -0.023 0.000 2.405 395 I HA 0.300 4.473 4.170 0.005 0.000 0.280 395 I C 0.208 176.375 176.117 0.084 0.000 1.027 395 I CA -0.391 60.907 61.300 -0.003 0.000 1.161 395 I CB 1.159 39.173 38.000 0.023 0.000 1.300 395 I HN 0.522 nan 8.210 nan 0.000 0.463 396 E N 4.468 124.695 120.200 0.044 0.000 2.312 396 E HA 0.244 4.597 4.350 0.005 0.000 0.259 396 E C -0.302 176.561 176.600 0.438 0.000 1.122 396 E CA -0.685 55.839 56.400 0.206 0.000 0.922 396 E CB 1.378 31.115 29.700 0.061 0.000 1.109 396 E HN 0.487 nan 8.360 nan 0.000 0.442 397 E N 1.320 121.739 120.200 0.365 0.000 2.331 397 E HA 0.082 4.435 4.350 0.005 0.000 0.272 397 E C -0.582 176.072 176.600 0.091 0.000 1.036 397 E CA -0.647 55.681 56.400 -0.120 0.000 0.864 397 E CB 0.742 30.296 29.700 -0.243 0.000 1.035 397 E HN 0.303 nan 8.360 nan 0.000 0.408 398 M N 7.279 126.817 119.600 -0.103 0.000 2.408 398 M HA 0.018 4.501 4.480 0.005 0.000 0.363 398 M C -2.101 174.089 176.300 -0.184 0.000 1.636 398 M CA -0.479 54.701 55.300 -0.199 0.000 1.029 398 M CB 0.697 33.171 32.600 -0.209 0.000 2.068 398 M HN 0.421 nan 8.290 nan 0.000 0.466 399 P HA 0.400 nan 4.420 nan 0.000 0.200 399 P C -0.808 176.425 177.300 -0.111 0.000 1.072 399 P CA 0.203 63.233 63.100 -0.117 0.000 0.721 399 P CB 0.531 32.178 31.700 -0.089 0.000 0.730 400 L N 0.000 121.157 121.223 -0.110 0.000 2.949 400 L HA 0.000 4.343 4.340 0.005 0.000 0.249 400 L CA 0.000 54.791 54.840 -0.082 0.000 0.813 400 L CB 0.000 42.027 42.059 -0.053 0.000 0.961 400 L HN 0.000 nan 8.230 nan 0.000 0.502