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 1qcw_1_B DATA FIRST_RESID 102 DATA SEQUENCE TKEDIARKEQ LKSLLPPLDN IINLYDFEYL ASQTLTKQAW AYYSSGANDE DATA SEQUENCE VTHRENHNAY HRIFFKPKIL VDVRKVDIST DMLGSHVDVP FYVSATALCK DATA SEQUENCE LGNPLEGEKD VARGCGQGVT KVPQMISTLA SCSPEEIIEA APSDKQIQWY DATA SEQUENCE QLYVNSDRKI TDDLVKNVEK LGVKALFVTV DAPSLGQKEK DMKLKFXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XSKFIDPSLT WKDIEELKKK TKLPIVIKGV DATA SEQUENCE QRTEDVIKAA EIGVSGVVLS NHGGRQLDFS RAPIEVLAET MPILEQRNLK DATA SEQUENCE DKLEVFVDGG VRRGTDVLKA LCLGAKGVGL GRPFLYANSC YGRNGVEKAI DATA SEQUENCE EILRDEIEMS MRLLGVTSIA ELKPDLLDLS TLKARTVGVP NDVLYNEVYE DATA SEQUENCE GPTLTEFEDA 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 102 T HA 0.000 nan 4.350 nan 0.000 0.228 102 T C 0.000 174.699 174.700 -0.002 0.000 1.109 102 T CA 0.000 62.101 62.100 0.002 0.000 1.349 102 T CB 0.000 68.871 68.868 0.005 0.000 0.612 103 K N 0.931 121.330 120.400 -0.002 0.000 2.283 103 K HA -0.062 4.258 4.320 -0.000 0.000 0.202 103 K C 1.823 178.418 176.600 -0.007 0.000 1.048 103 K CA 1.498 57.783 56.287 -0.004 0.000 0.948 103 K CB -0.297 32.201 32.500 -0.003 0.000 0.742 103 K HN 0.780 nan 8.250 nan 0.000 0.458 104 E N 1.634 121.830 120.200 -0.007 0.000 2.472 104 E HA -0.166 4.184 4.350 -0.000 0.000 0.200 104 E C 1.241 177.831 176.600 -0.017 0.000 1.046 104 E CA 1.246 57.639 56.400 -0.012 0.000 0.871 104 E CB -0.381 29.314 29.700 -0.010 0.000 0.806 104 E HN 0.358 nan 8.360 nan 0.000 0.533 105 D N 1.517 121.909 120.400 -0.014 0.000 2.219 105 D HA -0.180 4.460 4.640 -0.000 0.000 0.205 105 D C 1.810 178.097 176.300 -0.021 0.000 0.970 105 D CA 0.828 54.817 54.000 -0.018 0.000 0.851 105 D CB -0.140 40.652 40.800 -0.013 0.000 0.943 105 D HN 0.414 nan 8.370 nan 0.000 0.488 106 I N 0.985 121.544 120.570 -0.018 0.000 2.761 106 I HA -0.066 4.104 4.170 -0.000 0.000 0.261 106 I C 2.729 178.833 176.117 -0.023 0.000 1.198 106 I CA 0.572 61.860 61.300 -0.019 0.000 1.482 106 I CB -0.129 37.863 38.000 -0.014 0.000 1.100 106 I HN -0.008 nan 8.210 nan 0.000 0.445 107 A N 1.081 123.887 122.820 -0.024 0.000 1.969 107 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 107 A C 2.389 179.950 177.584 -0.039 0.000 1.169 107 A CA 1.181 53.201 52.037 -0.028 0.000 0.635 107 A CB -0.388 18.596 19.000 -0.026 0.000 0.810 107 A HN 0.303 nan 8.150 nan 0.000 0.445 108 R N -0.652 119.821 120.500 -0.044 0.000 2.090 108 R HA -0.004 4.336 4.340 -0.000 0.000 0.228 108 R C 1.787 178.054 176.300 -0.055 0.000 1.110 108 R CA 0.904 56.968 56.100 -0.060 0.000 0.973 108 R CB -0.129 30.136 30.300 -0.059 0.000 0.869 108 R HN 0.204 nan 8.270 nan 0.000 0.440 109 K N 0.970 121.345 120.400 -0.041 0.000 2.209 109 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 109 K C 1.757 178.335 176.600 -0.037 0.000 1.048 109 K CA 1.105 57.370 56.287 -0.037 0.000 0.940 109 K CB 0.019 32.502 32.500 -0.027 0.000 0.729 109 K HN 0.348 nan 8.250 nan 0.000 0.451 110 E N 0.442 120.620 120.200 -0.035 0.000 2.028 110 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 110 E C 1.742 178.318 176.600 -0.039 0.000 0.984 110 E CA 0.734 57.116 56.400 -0.031 0.000 0.800 110 E CB 0.280 29.965 29.700 -0.026 0.000 0.758 110 E HN 0.190 nan 8.360 nan 0.000 0.448 111 Q N 0.664 120.432 119.800 -0.052 0.000 1.948 111 Q HA -0.205 4.135 4.340 -0.000 0.000 0.205 111 Q C 2.411 178.366 176.000 -0.074 0.000 0.992 111 Q CA 0.945 56.708 55.803 -0.067 0.000 0.849 111 Q CB -1.019 27.660 28.738 -0.098 0.000 0.918 111 Q HN 0.272 nan 8.270 nan 0.000 0.421 112 L N 1.263 122.433 121.223 -0.087 0.000 1.976 112 L HA -0.173 4.166 4.340 -0.000 0.000 0.223 112 L C 1.140 177.959 176.870 -0.086 0.000 1.081 112 L CA 1.846 56.626 54.840 -0.100 0.000 0.784 112 L CB -0.623 41.385 42.059 -0.086 0.000 0.896 112 L HN 0.144 nan 8.230 nan 0.000 0.438 113 K N -0.932 119.432 120.400 -0.059 0.000 2.379 113 K HA 0.084 4.404 4.320 -0.000 0.000 0.284 113 K C 1.074 177.656 176.600 -0.031 0.000 1.044 113 K CA 0.745 57.006 56.287 -0.043 0.000 0.974 113 K CB 0.680 33.161 32.500 -0.031 0.000 0.962 113 K HN 0.446 nan 8.250 nan 0.000 0.474 114 S N 2.316 118.002 115.700 -0.022 0.000 1.885 114 S HA -0.254 4.215 4.470 -0.000 0.000 0.220 114 S C 1.211 175.810 174.600 -0.000 0.000 0.988 114 S CA 1.823 60.020 58.200 -0.006 0.000 1.627 114 S CB -1.150 62.048 63.200 -0.003 0.000 2.182 114 S HN 0.751 nan 8.310 nan 0.000 0.556 115 L N 1.168 122.385 121.223 -0.010 0.000 2.362 115 L HA 0.072 4.412 4.340 -0.000 0.000 0.219 115 L C 1.020 177.895 176.870 0.008 0.000 1.134 115 L CA 0.606 55.445 54.840 -0.002 0.000 0.807 115 L CB -0.446 41.606 42.059 -0.012 0.000 0.927 115 L HN 0.373 nan 8.230 nan 0.000 0.447 116 L N 2.311 123.531 121.223 -0.006 0.000 2.499 116 L HA 0.070 4.410 4.340 -0.000 0.000 0.273 116 L C -1.531 175.404 176.870 0.108 0.000 1.195 116 L CA -1.319 53.535 54.840 0.023 0.000 0.882 116 L CB 0.245 42.253 42.059 -0.084 0.000 1.133 116 L HN -0.074 nan 8.230 nan 0.000 0.483 117 P HA 0.172 nan 4.420 nan 0.000 0.272 117 P C -2.599 174.817 177.300 0.193 0.000 1.223 117 P CA -1.417 61.767 63.100 0.139 0.000 0.784 117 P CB -0.111 31.654 31.700 0.108 0.000 0.923 118 P HA -0.004 nan 4.420 nan 0.000 0.264 118 P C 1.122 178.448 177.300 0.043 0.000 1.193 118 P CA -0.097 63.066 63.100 0.105 0.000 0.763 118 P CB 0.172 31.904 31.700 0.054 0.000 0.810 119 L N 3.560 124.796 121.223 0.022 0.000 2.263 119 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 119 L C 1.329 178.116 176.870 -0.139 0.000 1.111 119 L CA 1.943 56.659 54.840 -0.208 0.000 0.773 119 L CB -0.825 41.147 42.059 -0.145 0.000 0.906 119 L HN 0.375 nan 8.230 nan 0.000 0.439 120 D N -1.154 119.211 120.400 -0.058 0.000 2.234 120 D HA -0.101 4.539 4.640 -0.000 0.000 0.205 120 D C 1.301 177.562 176.300 -0.065 0.000 0.962 120 D CA 0.886 54.857 54.000 -0.048 0.000 0.855 120 D CB -0.119 40.671 40.800 -0.017 0.000 0.951 120 D HN 0.589 nan 8.370 nan 0.000 0.500 121 N N 0.630 119.294 118.700 -0.061 0.000 2.521 121 N HA -0.015 4.725 4.740 -0.000 0.000 0.188 121 N C 0.111 175.556 175.510 -0.109 0.000 1.146 121 N CA -0.046 52.968 53.050 -0.059 0.000 0.893 121 N CB 0.533 39.007 38.487 -0.022 0.000 0.975 121 N HN 0.053 nan 8.380 nan 0.000 0.451 122 I N 1.731 122.189 120.570 -0.188 0.000 2.322 122 I HA 0.070 4.240 4.170 -0.000 0.000 0.292 122 I C 1.338 177.303 176.117 -0.254 0.000 1.060 122 I CA 0.043 61.151 61.300 -0.320 0.000 1.309 122 I CB 0.717 38.348 38.000 -0.615 0.000 1.415 122 I HN 0.066 nan 8.210 nan 0.000 0.492 123 I N 5.815 126.264 120.570 -0.202 0.000 2.585 123 I HA -0.063 4.107 4.170 -0.000 0.000 0.254 123 I C 1.032 177.063 176.117 -0.144 0.000 1.129 123 I CA 0.609 61.828 61.300 -0.135 0.000 1.455 123 I CB 0.082 38.032 38.000 -0.083 0.000 1.111 123 I HN 0.700 nan 8.210 nan 0.000 0.433 124 N N -1.062 117.523 118.700 -0.192 0.000 3.039 124 N HA 0.137 4.877 4.740 -0.000 0.000 0.257 124 N C -0.035 175.323 175.510 -0.253 0.000 1.497 124 N CA -0.705 52.240 53.050 -0.174 0.000 0.861 124 N CB 1.840 40.285 38.487 -0.070 0.000 1.479 124 N HN -0.277 nan 8.380 nan 0.000 0.547 125 L N 0.040 121.121 121.223 -0.235 0.000 2.275 125 L HA 0.014 4.354 4.340 -0.000 0.000 0.215 125 L C 1.704 178.488 176.870 -0.143 0.000 1.119 125 L CA 1.344 56.081 54.840 -0.173 0.000 0.790 125 L CB -1.494 40.363 42.059 -0.337 0.000 0.919 125 L HN 0.553 nan 8.230 nan 0.000 0.443 126 Y N -0.600 119.687 120.300 -0.022 0.000 2.439 126 Y HA -0.112 4.438 4.550 -0.000 0.000 0.292 126 Y C 2.292 178.199 175.900 0.012 0.000 1.130 126 Y CA 0.432 58.533 58.100 0.001 0.000 1.254 126 Y CB -0.470 37.973 38.460 -0.030 0.000 1.000 126 Y HN 0.227 nan 8.280 nan 0.000 0.554 127 D N -0.566 119.861 120.400 0.045 0.000 2.144 127 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 127 D C 1.885 178.214 176.300 0.049 0.000 0.978 127 D CA 1.174 55.169 54.000 -0.008 0.000 0.833 127 D CB -0.421 40.260 40.800 -0.199 0.000 0.961 127 D HN 0.218 nan 8.370 nan 0.000 0.470 128 F N 1.426 121.431 119.950 0.092 0.000 2.134 128 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 128 F C 2.460 178.309 175.800 0.081 0.000 1.097 128 F CA 0.759 58.835 58.000 0.126 0.000 1.264 128 F CB -0.582 38.488 39.000 0.116 0.000 1.001 128 F HN -0.002 nan 8.300 nan 0.000 0.479 129 E N -0.842 119.490 120.200 0.220 0.000 2.077 129 E HA -0.286 4.063 4.350 -0.000 0.000 0.193 129 E C 2.258 178.783 176.600 -0.125 0.000 0.989 129 E CA 1.297 57.636 56.400 -0.101 0.000 0.800 129 E CB -0.425 29.299 29.700 0.039 0.000 0.746 129 E HN 0.444 nan 8.360 nan 0.000 0.452 130 Y N 0.962 121.213 120.300 -0.082 0.000 2.089 130 Y HA -0.239 4.311 4.550 -0.000 0.000 0.282 130 Y C 1.935 177.735 175.900 -0.167 0.000 1.139 130 Y CA 1.339 59.361 58.100 -0.129 0.000 1.123 130 Y CB -0.650 37.772 38.460 -0.064 0.000 0.980 130 Y HN 0.069 nan 8.280 nan 0.000 0.493 131 L N 0.789 121.818 121.223 -0.324 0.000 2.043 131 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 131 L C 2.764 179.436 176.870 -0.331 0.000 1.075 131 L CA 2.084 56.708 54.840 -0.360 0.000 0.752 131 L CB -1.998 40.070 42.059 0.016 0.000 0.891 131 L HN 0.448 nan 8.230 nan 0.000 0.432 132 A N -0.778 121.915 122.820 -0.210 0.000 1.877 132 A HA -0.227 4.092 4.320 -0.000 0.000 0.216 132 A C 2.498 179.786 177.584 -0.494 0.000 1.186 132 A CA 2.172 54.107 52.037 -0.170 0.000 0.620 132 A CB -0.915 18.107 19.000 0.037 0.000 0.822 132 A HN 0.566 nan 8.150 nan 0.000 0.443 133 S N -1.067 114.027 115.700 -1.010 0.000 2.419 133 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 133 S C 1.561 175.585 174.600 -0.960 0.000 1.016 133 S CA 1.390 58.542 58.200 -1.747 0.000 0.974 133 S CB -0.262 61.943 63.200 -1.658 0.000 0.786 133 S HN 0.549 nan 8.310 nan 0.000 0.492 134 Q N 0.857 120.251 119.800 -0.677 0.000 2.356 134 Q HA 0.168 4.508 4.340 -0.000 0.000 0.205 134 Q C 1.718 177.527 176.000 -0.318 0.000 0.901 134 Q CA 1.277 56.796 55.803 -0.473 0.000 0.938 134 Q CB 0.368 28.777 28.738 -0.548 0.000 1.081 134 Q HN 0.940 nan 8.270 nan 0.000 0.517 135 T N -4.030 110.354 114.554 -0.283 0.000 3.010 135 T HA 0.276 4.625 4.350 -0.000 0.000 0.252 135 T C 0.947 175.589 174.700 -0.096 0.000 0.963 135 T CA -0.308 61.692 62.100 -0.166 0.000 0.952 135 T CB 0.056 68.835 68.868 -0.148 0.000 1.182 135 T HN -0.040 nan 8.240 nan 0.000 0.495 136 L N 3.850 125.033 121.223 -0.067 0.000 2.483 136 L HA 0.297 4.637 4.340 -0.000 0.000 0.275 136 L C 1.198 178.090 176.870 0.036 0.000 1.220 136 L CA -0.322 54.546 54.840 0.047 0.000 0.833 136 L CB 0.354 42.540 42.059 0.211 0.000 1.102 136 L HN 0.441 nan 8.230 nan 0.000 0.490 137 T N -0.957 113.624 114.554 0.044 0.000 2.903 137 T HA 0.054 4.404 4.350 -0.000 0.000 0.314 137 T C 1.010 175.756 174.700 0.077 0.000 1.078 137 T CA -0.523 61.596 62.100 0.031 0.000 1.114 137 T CB 0.836 69.708 68.868 0.007 0.000 0.987 137 T HN 0.560 nan 8.240 nan 0.000 0.548 138 K N 0.580 121.020 120.400 0.066 0.000 2.113 138 K HA -0.216 4.103 4.320 -0.000 0.000 0.208 138 K C 2.425 179.078 176.600 0.088 0.000 1.047 138 K CA 1.753 58.104 56.287 0.107 0.000 0.928 138 K CB -0.157 32.386 32.500 0.070 0.000 0.716 138 K HN 0.770 nan 8.250 nan 0.000 0.446 139 Q N 0.477 120.291 119.800 0.023 0.000 2.083 139 Q HA -0.132 4.207 4.340 -0.000 0.000 0.198 139 Q C 2.080 178.045 176.000 -0.058 0.000 0.969 139 Q CA 1.321 57.109 55.803 -0.025 0.000 0.838 139 Q CB -0.049 28.652 28.738 -0.062 0.000 0.900 139 Q HN 0.314 nan 8.270 nan 0.000 0.436 140 A N 1.332 124.100 122.820 -0.087 0.000 1.845 140 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 140 A C 1.882 179.348 177.584 -0.197 0.000 1.195 140 A CA 1.283 53.153 52.037 -0.279 0.000 0.616 140 A CB -1.655 17.220 19.000 -0.209 0.000 0.832 140 A HN 0.819 nan 8.150 nan 0.000 0.443 141 W N 0.745 121.989 121.300 -0.093 0.000 2.321 141 W HA -0.248 4.411 4.660 -0.000 0.000 0.306 141 W C 2.304 178.868 176.519 0.074 0.000 1.217 141 W CA 2.062 59.439 57.345 0.053 0.000 1.257 141 W CB -0.194 29.294 29.460 0.047 0.000 1.145 141 W HN 0.442 nan 8.180 nan 0.000 0.509 142 A N -0.389 122.404 122.820 -0.044 0.000 1.908 142 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 142 A C 1.767 179.282 177.584 -0.116 0.000 1.181 142 A CA 1.800 53.760 52.037 -0.127 0.000 0.627 142 A CB -1.612 17.380 19.000 -0.013 0.000 0.818 142 A HN 0.530 nan 8.150 nan 0.000 0.445 143 Y N -1.249 118.933 120.300 -0.196 0.000 2.263 143 Y HA -0.131 4.418 4.550 -0.000 0.000 0.292 143 Y C 2.129 178.014 175.900 -0.026 0.000 1.130 143 Y CA 1.295 59.309 58.100 -0.144 0.000 1.179 143 Y CB -0.238 38.111 38.460 -0.184 0.000 0.998 143 Y HN 0.379 nan 8.280 nan 0.000 0.532 144 Y N -0.574 119.662 120.300 -0.107 0.000 2.176 144 Y HA -0.120 4.429 4.550 -0.000 0.000 0.291 144 Y C 2.944 178.646 175.900 -0.330 0.000 1.122 144 Y CA 1.125 59.103 58.100 -0.203 0.000 1.128 144 Y CB -1.398 37.073 38.460 0.019 0.000 1.005 144 Y HN 0.224 nan 8.280 nan 0.000 0.509 145 S N -0.101 115.391 115.700 -0.347 0.000 2.489 145 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 145 S C 1.039 175.412 174.600 -0.378 0.000 0.995 145 S CA 0.119 58.005 58.200 -0.523 0.000 0.934 145 S CB -0.920 61.406 63.200 -1.458 0.000 0.771 145 S HN 0.315 nan 8.310 nan 0.000 0.522 146 S N 0.414 115.909 115.700 -0.342 0.000 2.592 146 S HA 0.704 5.174 4.470 -0.000 0.000 0.271 146 S C 0.342 174.767 174.600 -0.293 0.000 1.326 146 S CA -0.245 57.802 58.200 -0.254 0.000 1.024 146 S CB 1.081 64.172 63.200 -0.182 0.000 0.921 146 S HN 0.608 nan 8.310 nan 0.000 0.527 147 G N -0.269 108.408 108.800 -0.205 0.000 2.816 147 G HA2 0.710 4.670 3.960 -0.000 0.000 0.288 147 G HA3 0.710 4.670 3.960 -0.000 0.000 0.288 147 G C -0.790 174.059 174.900 -0.086 0.000 1.334 147 G CA -0.814 44.173 45.100 -0.187 0.000 0.978 147 G HN 1.156 nan 8.290 nan 0.000 0.493 148 A N -0.326 122.460 122.820 -0.056 0.000 2.366 148 A HA 0.558 4.878 4.320 -0.000 0.000 0.272 148 A C 0.947 178.530 177.584 -0.003 0.000 1.135 148 A CA 0.599 52.619 52.037 -0.029 0.000 0.804 148 A CB -0.625 18.359 19.000 -0.026 0.000 1.064 148 A HN 1.052 nan 8.150 nan 0.000 0.499 149 N N 1.001 119.707 118.700 0.010 0.000 1.758 149 N HA -0.248 4.492 4.740 -0.000 0.000 0.152 149 N C 0.109 175.640 175.510 0.035 0.000 0.558 149 N CA 1.895 54.964 53.050 0.032 0.000 1.229 149 N CB -0.793 37.724 38.487 0.051 0.000 1.337 149 N HN 0.779 nan 8.380 nan 0.000 0.432 150 D N 2.134 122.559 120.400 0.042 0.000 2.349 150 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 150 D C -0.182 176.124 176.300 0.009 0.000 1.029 150 D CA 0.635 54.658 54.000 0.038 0.000 0.879 150 D CB -0.147 40.696 40.800 0.071 0.000 0.906 150 D HN 0.439 nan 8.370 nan 0.000 0.528 151 E N -0.454 119.749 120.200 0.006 0.000 2.539 151 E HA -0.196 4.154 4.350 -0.000 0.000 0.253 151 E C 1.121 177.707 176.600 -0.023 0.000 1.145 151 E CA -0.236 56.187 56.400 0.039 0.000 0.738 151 E CB -1.490 28.274 29.700 0.107 0.000 1.308 151 E HN 0.176 nan 8.360 nan 0.000 0.409 152 V N -0.391 119.437 119.914 -0.143 0.000 2.302 152 V HA -0.212 3.908 4.120 -0.000 0.000 0.243 152 V C 2.378 178.325 176.094 -0.245 0.000 1.036 152 V CA 2.384 64.523 62.300 -0.267 0.000 1.020 152 V CB -0.341 31.122 31.823 -0.600 0.000 0.657 152 V HN 0.373 nan 8.190 nan 0.000 0.453 153 T N -0.982 113.420 114.554 -0.253 0.000 2.746 153 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 153 T C 1.781 176.477 174.700 -0.007 0.000 1.039 153 T CA 1.931 63.951 62.100 -0.134 0.000 1.142 153 T CB -0.467 68.349 68.868 -0.087 0.000 0.866 153 T HN 0.694 nan 8.240 nan 0.000 0.444 154 H N 1.157 120.183 119.070 -0.074 0.000 2.289 154 H HA -0.097 4.459 4.556 -0.000 0.000 0.296 154 H C 2.525 177.848 175.328 -0.009 0.000 1.091 154 H CA 1.547 57.576 56.048 -0.031 0.000 1.274 154 H CB 0.068 29.809 29.762 -0.036 0.000 1.364 154 H HN 0.240 nan 8.280 nan 0.000 0.490 155 R N -0.106 120.263 120.500 -0.218 0.000 2.090 155 R HA -0.108 4.232 4.340 -0.000 0.000 0.228 155 R C 2.468 178.711 176.300 -0.095 0.000 1.110 155 R CA 1.154 57.108 56.100 -0.242 0.000 0.973 155 R CB -0.098 30.090 30.300 -0.187 0.000 0.869 155 R HN 0.344 nan 8.270 nan 0.000 0.440 156 E N 1.241 121.389 120.200 -0.088 0.000 2.160 156 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 156 E C 1.332 177.904 176.600 -0.047 0.000 0.991 156 E CA 1.434 57.790 56.400 -0.073 0.000 0.810 156 E CB -0.199 29.442 29.700 -0.099 0.000 0.742 156 E HN 0.194 nan 8.360 nan 0.000 0.466 157 N N -0.279 118.417 118.700 -0.007 0.000 2.149 157 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 157 N C 1.653 177.216 175.510 0.089 0.000 1.019 157 N CA 1.584 54.651 53.050 0.028 0.000 0.857 157 N CB -0.542 38.006 38.487 0.101 0.000 0.997 157 N HN 0.420 nan 8.380 nan 0.000 0.426 158 H N 1.101 120.185 119.070 0.023 0.000 2.317 158 H HA 0.120 4.676 4.556 -0.000 0.000 0.304 158 H C 1.508 176.839 175.328 0.005 0.000 1.067 158 H CA 1.440 57.546 56.048 0.097 0.000 1.352 158 H CB -0.251 29.509 29.762 -0.003 0.000 1.398 158 H HN 0.064 nan 8.280 nan 0.000 0.510 159 N N 0.759 119.364 118.700 -0.157 0.000 2.091 159 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 159 N C 1.944 177.357 175.510 -0.162 0.000 1.021 159 N CA 1.518 54.419 53.050 -0.248 0.000 0.862 159 N CB -0.862 37.553 38.487 -0.119 0.000 1.018 159 N HN 0.544 nan 8.380 nan 0.000 0.429 160 A N -0.029 122.707 122.820 -0.140 0.000 1.978 160 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 160 A C 1.790 179.286 177.584 -0.147 0.000 1.170 160 A CA 1.106 53.052 52.037 -0.151 0.000 0.636 160 A CB -0.905 17.966 19.000 -0.215 0.000 0.810 160 A HN 0.340 nan 8.150 nan 0.000 0.448 161 Y N -0.394 119.870 120.300 -0.060 0.000 2.333 161 Y HA -0.183 4.367 4.550 -0.000 0.000 0.290 161 Y C 2.210 178.107 175.900 -0.005 0.000 1.144 161 Y CA 1.548 59.630 58.100 -0.030 0.000 1.228 161 Y CB -0.502 37.937 38.460 -0.035 0.000 0.985 161 Y HN 0.555 nan 8.280 nan 0.000 0.542 162 H N -0.752 118.272 119.070 -0.077 0.000 2.556 162 H HA 0.103 4.659 4.556 -0.000 0.000 0.268 162 H C 1.281 176.616 175.328 0.011 0.000 0.996 162 H CA 0.065 56.056 56.048 -0.095 0.000 1.157 162 H CB 0.296 30.004 29.762 -0.090 0.000 1.355 162 H HN 0.318 nan 8.280 nan 0.000 0.597 163 R N 0.554 121.121 120.500 0.110 0.000 2.334 163 R HA 0.224 4.564 4.340 -0.000 0.000 0.216 163 R C -0.080 176.286 176.300 0.109 0.000 0.905 163 R CA 0.184 56.347 56.100 0.106 0.000 1.064 163 R CB 0.811 31.137 30.300 0.044 0.000 1.046 163 R HN 0.170 nan 8.270 nan 0.000 0.508 164 I N 0.859 121.465 120.570 0.059 0.000 2.436 164 I HA 0.313 4.483 4.170 -0.000 0.000 0.289 164 I C -0.735 175.299 176.117 -0.139 0.000 1.010 164 I CA -0.734 60.571 61.300 0.009 0.000 1.098 164 I CB 1.381 39.361 38.000 -0.033 0.000 1.266 164 I HN -0.218 nan 8.210 nan 0.000 0.434 165 F N 4.668 124.487 119.950 -0.217 0.000 2.556 165 F HA 0.580 5.107 4.527 -0.000 0.000 0.327 165 F C -0.108 175.565 175.800 -0.212 0.000 1.059 165 F CA -0.469 57.356 58.000 -0.293 0.000 0.953 165 F CB 1.544 40.461 39.000 -0.138 0.000 1.227 165 F HN 0.117 nan 8.300 nan 0.000 0.478 166 F N 0.748 120.775 119.950 0.127 0.000 2.378 166 F HA 0.461 4.988 4.527 -0.000 0.000 0.325 166 F C 0.162 176.022 175.800 0.101 0.000 1.097 166 F CA -1.127 56.921 58.000 0.080 0.000 1.079 166 F CB 0.832 39.846 39.000 0.023 0.000 1.240 166 F HN 0.170 nan 8.300 nan 0.000 0.519 167 K N 2.338 122.914 120.400 0.294 0.000 2.954 167 K HA 0.239 4.559 4.320 -0.000 0.000 0.171 167 K C -2.668 173.996 176.600 0.107 0.000 1.079 167 K CA -1.478 54.907 56.287 0.164 0.000 0.908 167 K CB 0.624 33.198 32.500 0.124 0.000 1.142 167 K HN 0.277 nan 8.250 nan 0.000 0.613 168 P HA -0.027 nan 4.420 nan 0.000 0.266 168 P C -0.790 176.520 177.300 0.016 0.000 1.195 168 P CA 0.036 63.146 63.100 0.017 0.000 0.768 168 P CB 0.854 32.559 31.700 0.008 0.000 0.838 169 K N 2.552 122.950 120.400 -0.004 0.000 2.172 169 K HA 0.448 4.768 4.320 -0.000 0.000 0.276 169 K C 0.426 177.025 176.600 -0.002 0.000 1.013 169 K CA -0.721 55.567 56.287 0.001 0.000 0.913 169 K CB 0.629 33.127 32.500 -0.003 0.000 1.055 169 K HN 0.421 nan 8.250 nan 0.000 0.461 170 I N -1.233 119.339 120.570 0.004 0.000 3.023 170 I HA 0.344 4.514 4.170 -0.000 0.000 0.312 170 I C 0.077 176.195 176.117 0.002 0.000 1.056 170 I CA -0.889 60.413 61.300 0.003 0.000 1.033 170 I CB 0.855 38.859 38.000 0.007 0.000 1.233 170 I HN 0.668 nan 8.210 nan 0.000 0.462 171 L N 0.856 122.080 121.223 0.001 0.000 3.717 171 L HA -0.124 4.216 4.340 -0.000 0.000 0.411 171 L C -0.878 175.992 176.870 0.000 0.000 1.233 171 L CA -0.067 54.774 54.840 0.002 0.000 0.917 171 L CB -1.686 40.375 42.059 0.003 0.000 1.902 171 L HN 0.552 nan 8.230 nan 0.000 0.894 172 V N -0.570 119.343 119.914 -0.002 0.000 2.495 172 V HA 0.304 4.423 4.120 -0.000 0.000 0.298 172 V C 0.334 176.425 176.094 -0.004 0.000 1.031 172 V CA -0.551 61.747 62.300 -0.003 0.000 0.871 172 V CB 2.040 33.859 31.823 -0.006 0.000 0.988 172 V HN 0.158 nan 8.190 nan 0.000 0.432 173 D N 3.841 124.240 120.400 -0.002 0.000 2.363 173 D HA 0.079 4.719 4.640 -0.000 0.000 0.263 173 D C 0.544 176.842 176.300 -0.004 0.000 1.258 173 D CA 0.182 54.181 54.000 -0.002 0.000 0.907 173 D CB 1.297 42.096 40.800 -0.000 0.000 1.107 173 D HN 0.446 nan 8.370 nan 0.000 0.495 174 V N 2.273 122.184 119.914 -0.005 0.000 2.988 174 V HA 0.292 4.412 4.120 -0.000 0.000 0.356 174 V C 1.820 177.912 176.094 -0.004 0.000 1.380 174 V CA -0.494 61.802 62.300 -0.007 0.000 1.184 174 V CB -0.038 31.777 31.823 -0.013 0.000 1.204 174 V HN 0.427 nan 8.190 nan 0.000 0.530 175 R N 1.702 122.202 120.500 -0.002 0.000 2.080 175 R HA -0.055 4.285 4.340 -0.000 0.000 0.236 175 R C 1.402 177.703 176.300 0.002 0.000 1.137 175 R CA 1.506 57.606 56.100 0.000 0.000 0.943 175 R CB 0.049 30.350 30.300 0.001 0.000 0.846 175 R HN 0.516 nan 8.270 nan 0.000 0.431 176 K N 1.160 121.561 120.400 0.003 0.000 2.172 176 K HA 0.215 4.535 4.320 -0.000 0.000 0.276 176 K C -1.569 175.034 176.600 0.005 0.000 1.013 176 K CA -0.235 56.055 56.287 0.005 0.000 0.913 176 K CB 1.663 34.167 32.500 0.006 0.000 1.055 176 K HN 0.022 nan 8.250 nan 0.000 0.461 177 V N 3.355 123.273 119.914 0.008 0.000 2.733 177 V HA 0.183 4.303 4.120 -0.000 0.000 0.306 177 V C -1.395 174.709 176.094 0.017 0.000 1.084 177 V CA -0.896 61.409 62.300 0.009 0.000 0.905 177 V CB 2.094 33.919 31.823 0.004 0.000 1.010 177 V HN 0.940 nan 8.190 nan 0.000 0.424 178 D N 3.372 123.784 120.400 0.020 0.000 2.502 178 D HA 0.522 5.161 4.640 -0.000 0.000 0.249 178 D C 0.509 176.827 176.300 0.030 0.000 1.092 178 D CA -0.496 53.522 54.000 0.029 0.000 0.839 178 D CB 1.606 42.427 40.800 0.036 0.000 1.264 178 D HN 0.549 nan 8.370 nan 0.000 0.511 179 I N 0.975 121.564 120.570 0.032 0.000 4.025 179 I HA 0.300 4.470 4.170 -0.000 0.000 0.336 179 I C 0.134 176.257 176.117 0.009 0.000 1.390 179 I CA -0.553 60.766 61.300 0.032 0.000 1.099 179 I CB 0.246 38.277 38.000 0.052 0.000 1.049 179 I HN 0.220 nan 8.210 nan 0.000 0.394 180 S N 0.645 116.345 115.700 0.001 0.000 2.576 180 S HA 0.558 5.028 4.470 -0.000 0.000 0.276 180 S C 0.137 174.693 174.600 -0.073 0.000 1.339 180 S CA 0.009 58.164 58.200 -0.076 0.000 1.039 180 S CB 1.783 64.979 63.200 -0.006 0.000 0.902 180 S HN 0.436 nan 8.310 nan 0.000 0.516 181 T N 0.061 114.510 114.554 -0.176 0.000 2.626 181 T HA 0.460 4.810 4.350 -0.000 0.000 0.299 181 T C -2.416 172.220 174.700 -0.107 0.000 1.181 181 T CA -0.600 61.459 62.100 -0.068 0.000 1.053 181 T CB 1.337 70.207 68.868 0.004 0.000 1.566 181 T HN 0.929 nan 8.240 nan 0.000 0.486 182 D N 0.887 121.298 120.400 0.019 0.000 2.575 182 D HA 0.570 5.210 4.640 -0.000 0.000 0.236 182 D C -1.154 175.228 176.300 0.135 0.000 1.075 182 D CA -0.641 53.402 54.000 0.071 0.000 0.860 182 D CB 1.966 42.828 40.800 0.104 0.000 1.475 182 D HN 0.577 nan 8.370 nan 0.000 0.474 183 M N 1.634 121.362 119.600 0.214 0.000 2.322 183 M HA 0.172 4.652 4.480 -0.000 0.000 0.286 183 M C -0.816 175.678 176.300 0.324 0.000 1.111 183 M CA -0.914 54.597 55.300 0.352 0.000 0.941 183 M CB 2.425 35.378 32.600 0.589 0.000 1.671 183 M HN 0.218 nan 8.290 nan 0.000 0.470 184 L N 2.870 124.240 121.223 0.244 0.000 3.879 184 L HA -0.269 4.071 4.340 -0.000 0.000 0.481 184 L C 1.192 178.141 176.870 0.132 0.000 1.232 184 L CA 1.935 56.844 54.840 0.115 0.000 0.736 184 L CB -2.753 39.282 42.059 -0.039 0.000 1.511 184 L HN 1.235 nan 8.230 nan 0.000 0.830 185 G N -1.444 107.424 108.800 0.113 0.000 2.458 185 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.237 185 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.237 185 G C 0.651 175.622 174.900 0.118 0.000 1.113 185 G CA 0.548 45.707 45.100 0.098 0.000 0.655 185 G HN 0.674 nan 8.290 nan 0.000 0.513 186 S N 1.077 116.870 115.700 0.155 0.000 2.652 186 S HA 0.546 5.016 4.470 -0.000 0.000 0.270 186 S C -0.086 174.611 174.600 0.163 0.000 1.243 186 S CA -0.404 57.886 58.200 0.149 0.000 0.999 186 S CB 1.305 64.590 63.200 0.141 0.000 0.973 186 S HN 0.567 nan 8.310 nan 0.000 0.544 187 H N 1.070 120.170 119.070 0.050 0.000 2.517 187 H HA 0.520 5.076 4.556 -0.000 0.000 0.317 187 H C -1.301 174.035 175.328 0.014 0.000 1.080 187 H CA -0.342 55.727 56.048 0.036 0.000 1.301 187 H CB 0.509 30.282 29.762 0.018 0.000 1.425 187 H HN 0.265 nan 8.280 nan 0.000 0.471 188 V N 5.170 124.793 119.914 -0.485 0.000 2.715 188 V HA 0.055 4.175 4.120 -0.000 0.000 0.310 188 V C 0.587 176.377 176.094 -0.508 0.000 1.054 188 V CA -0.764 61.315 62.300 -0.368 0.000 0.928 188 V CB 1.908 33.624 31.823 -0.178 0.000 1.007 188 V HN 0.797 nan 8.190 nan 0.000 0.437 189 D N 1.252 121.477 120.400 -0.292 0.000 2.149 189 D HA -0.014 4.625 4.640 -0.000 0.000 0.201 189 D C 0.588 176.780 176.300 -0.180 0.000 0.972 189 D CA 1.276 55.164 54.000 -0.187 0.000 0.835 189 D CB 0.257 40.989 40.800 -0.114 0.000 0.966 189 D HN 0.504 nan 8.370 nan 0.000 0.476 190 V N -1.929 117.825 119.914 -0.266 0.000 2.864 190 V HA 0.437 4.557 4.120 -0.000 0.000 0.314 190 V C -2.319 173.660 176.094 -0.192 0.000 1.073 190 V CA -1.804 60.325 62.300 -0.285 0.000 0.956 190 V CB 2.378 33.766 31.823 -0.724 0.000 1.023 190 V HN -0.227 nan 8.190 nan 0.000 0.435 191 P HA 0.165 nan 4.420 nan 0.000 0.255 191 P C -0.272 177.202 177.300 0.288 0.000 1.301 191 P CA 0.332 63.516 63.100 0.140 0.000 0.817 191 P CB -0.456 31.339 31.700 0.158 0.000 1.259 192 F N 0.019 120.065 119.950 0.160 0.000 2.654 192 F HA 0.768 5.295 4.527 -0.000 0.000 0.334 192 F C -0.921 175.003 175.800 0.207 0.000 1.078 192 F CA -1.856 56.244 58.000 0.167 0.000 0.986 192 F CB 0.898 39.953 39.000 0.092 0.000 1.362 192 F HN -0.150 nan 8.300 nan 0.000 0.498 193 Y N -1.433 119.084 120.300 0.362 0.000 2.638 193 Y HA 0.703 5.253 4.550 -0.000 0.000 0.335 193 Y C -2.048 173.908 175.900 0.094 0.000 1.155 193 Y CA -2.091 56.047 58.100 0.063 0.000 1.046 193 Y CB 0.858 39.328 38.460 0.017 0.000 1.303 193 Y HN 0.549 nan 8.280 nan 0.000 0.460 194 V N 2.705 122.596 119.914 -0.038 0.000 2.389 194 V HA 0.298 4.418 4.120 -0.000 0.000 0.264 194 V C 0.501 176.632 176.094 0.062 0.000 1.049 194 V CA -0.175 62.035 62.300 -0.150 0.000 0.932 194 V CB 0.440 32.003 31.823 -0.433 0.000 1.011 194 V HN 0.843 nan 8.190 nan 0.000 0.475 195 S N 3.820 119.536 115.700 0.027 0.000 2.614 195 S HA 0.604 5.074 4.470 -0.000 0.000 0.265 195 S C 0.609 175.166 174.600 -0.071 0.000 1.303 195 S CA -0.138 58.090 58.200 0.047 0.000 1.000 195 S CB 0.887 64.067 63.200 -0.033 0.000 0.935 195 S HN 1.093 nan 8.310 nan 0.000 0.551 196 A N 2.551 125.289 122.820 -0.137 0.000 2.524 196 A HA 0.470 4.789 4.320 -0.000 0.000 0.250 196 A C 0.366 177.849 177.584 -0.168 0.000 1.078 196 A CA 0.079 52.005 52.037 -0.184 0.000 0.761 196 A CB -0.469 18.372 19.000 -0.266 0.000 1.012 196 A HN 0.903 nan 8.150 nan 0.000 0.500 197 T N 0.502 114.977 114.554 -0.133 0.000 2.985 197 T HA 0.651 5.001 4.350 -0.000 0.000 0.315 197 T C -0.188 174.506 174.700 -0.009 0.000 1.001 197 T CA 0.072 62.110 62.100 -0.103 0.000 1.016 197 T CB 0.961 69.716 68.868 -0.189 0.000 0.993 197 T HN 1.459 nan 8.240 nan 0.000 0.454 198 A N 4.416 127.293 122.820 0.094 0.000 2.445 198 A HA 0.603 4.923 4.320 -0.000 0.000 0.242 198 A C 1.179 178.923 177.584 0.267 0.000 1.075 198 A CA -0.533 51.607 52.037 0.172 0.000 0.777 198 A CB -0.607 18.544 19.000 0.250 0.000 1.013 198 A HN 1.626 nan 8.150 nan 0.000 0.493 199 L N 0.720 122.041 121.223 0.163 0.000 3.533 199 L HA -0.238 4.102 4.340 -0.000 0.000 0.477 199 L C 1.125 178.145 176.870 0.250 0.000 1.306 199 L CA -0.050 54.882 54.840 0.152 0.000 0.850 199 L CB -2.638 39.464 42.059 0.072 0.000 1.654 199 L HN 0.826 nan 8.230 nan 0.000 0.863 200 C N -0.521 118.877 119.300 0.164 0.000 2.422 200 C HA -0.103 4.357 4.460 -0.000 0.000 0.286 200 C C 2.398 177.497 174.990 0.181 0.000 1.412 200 C CA 0.945 60.058 59.018 0.158 0.000 1.786 200 C CB -0.666 27.096 27.740 0.036 0.000 1.835 200 C HN 0.543 nan 8.230 nan 0.000 0.533 201 K N 0.509 120.983 120.400 0.123 0.000 2.525 201 K HA 0.083 4.403 4.320 -0.000 0.000 0.192 201 K C 1.563 178.214 176.600 0.085 0.000 1.029 201 K CA 0.442 56.779 56.287 0.083 0.000 1.029 201 K CB -0.059 32.464 32.500 0.039 0.000 0.814 201 K HN 0.563 nan 8.250 nan 0.000 0.503 202 L N -0.690 120.608 121.223 0.125 0.000 2.109 202 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 202 L C 2.244 179.157 176.870 0.072 0.000 1.086 202 L CA 1.328 56.180 54.840 0.019 0.000 0.760 202 L CB -0.204 41.770 42.059 -0.142 0.000 0.910 202 L HN 0.267 nan 8.230 nan 0.000 0.437 203 G N -1.656 107.312 108.800 0.280 0.000 2.656 203 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.211 203 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.211 203 G C 0.585 175.595 174.900 0.183 0.000 1.137 203 G CA -0.046 45.253 45.100 0.330 0.000 0.802 203 G HN 0.176 nan 8.290 nan 0.000 0.527 204 N N 0.606 119.393 118.700 0.145 0.000 2.841 204 N HA 0.255 4.995 4.740 -0.000 0.000 0.257 204 N C -1.541 174.003 175.510 0.057 0.000 1.396 204 N CA -2.010 51.088 53.050 0.080 0.000 0.823 204 N CB 1.964 40.488 38.487 0.063 0.000 1.162 204 N HN -0.048 nan 8.380 nan 0.000 0.503 205 P HA -0.192 nan 4.420 nan 0.000 0.216 205 P C 1.365 178.676 177.300 0.017 0.000 1.150 205 P CA 0.785 63.900 63.100 0.026 0.000 0.843 205 P CB 0.693 32.403 31.700 0.016 0.000 0.787 206 L N -0.224 121.008 121.223 0.016 0.000 2.068 206 L HA -0.023 4.317 4.340 -0.000 0.000 0.204 206 L C 2.380 179.256 176.870 0.010 0.000 1.076 206 L CA 1.918 56.764 54.840 0.010 0.000 0.753 206 L CB -1.420 40.643 42.059 0.007 0.000 0.910 206 L HN 0.056 nan 8.230 nan 0.000 0.439 207 E N -1.312 118.896 120.200 0.013 0.000 2.434 207 E HA 0.178 4.528 4.350 -0.000 0.000 0.207 207 E C 1.405 178.011 176.600 0.010 0.000 0.929 207 E CA 0.707 57.112 56.400 0.009 0.000 1.001 207 E CB 0.680 30.384 29.700 0.006 0.000 1.016 207 E HN 0.324 nan 8.360 nan 0.000 0.502 208 G N 2.783 111.595 108.800 0.021 0.000 2.651 208 G HA2 -0.435 3.524 3.960 -0.000 0.000 0.315 208 G HA3 -0.435 3.524 3.960 -0.000 0.000 0.315 208 G C 0.815 175.719 174.900 0.007 0.000 1.258 208 G CA 1.005 46.120 45.100 0.025 0.000 1.002 208 G HN 0.280 nan 8.290 nan 0.000 0.551 209 E N 0.937 121.137 120.200 0.000 0.000 2.338 209 E HA 0.061 4.411 4.350 -0.000 0.000 0.197 209 E C 2.436 179.021 176.600 -0.026 0.000 1.007 209 E CA 1.376 57.765 56.400 -0.019 0.000 0.849 209 E CB -0.080 29.610 29.700 -0.016 0.000 0.774 209 E HN 0.608 nan 8.360 nan 0.000 0.506 210 K N 0.396 120.786 120.400 -0.016 0.000 2.097 210 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 210 K C 1.170 177.755 176.600 -0.025 0.000 1.050 210 K CA 1.231 57.507 56.287 -0.019 0.000 0.938 210 K CB 0.026 32.519 32.500 -0.011 0.000 0.718 210 K HN 0.071 nan 8.250 nan 0.000 0.442 211 D N 0.271 120.660 120.400 -0.019 0.000 2.224 211 D HA -0.080 4.560 4.640 -0.000 0.000 0.205 211 D C 1.798 178.075 176.300 -0.038 0.000 0.965 211 D CA 0.597 54.586 54.000 -0.019 0.000 0.852 211 D CB 0.137 40.935 40.800 -0.004 0.000 0.947 211 D HN -0.083 nan 8.370 nan 0.000 0.494 212 V N 1.040 120.923 119.914 -0.052 0.000 2.323 212 V HA -0.159 3.961 4.120 -0.000 0.000 0.244 212 V C 2.527 178.557 176.094 -0.106 0.000 1.041 212 V CA 1.598 63.846 62.300 -0.086 0.000 1.025 212 V CB -0.781 30.984 31.823 -0.097 0.000 0.656 212 V HN 0.156 nan 8.190 nan 0.000 0.451 213 A N 0.060 122.827 122.820 -0.087 0.000 1.908 213 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 213 A C 2.401 179.934 177.584 -0.085 0.000 1.181 213 A CA 2.010 53.992 52.037 -0.092 0.000 0.627 213 A CB -0.485 18.475 19.000 -0.066 0.000 0.818 213 A HN 0.504 nan 8.150 nan 0.000 0.445 214 R N -1.231 119.231 120.500 -0.062 0.000 2.061 214 R HA -0.077 4.263 4.340 -0.000 0.000 0.230 214 R C 2.510 178.777 176.300 -0.055 0.000 1.140 214 R CA 1.161 57.231 56.100 -0.050 0.000 0.940 214 R CB -0.833 29.449 30.300 -0.030 0.000 0.839 214 R HN 0.522 nan 8.270 nan 0.000 0.429 215 G N 0.617 109.384 108.800 -0.055 0.000 2.469 215 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.220 215 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.220 215 G C 1.467 176.316 174.900 -0.084 0.000 1.136 215 G CA 1.104 46.172 45.100 -0.053 0.000 0.759 215 G HN 0.363 nan 8.290 nan 0.000 0.562 216 C N 0.029 119.250 119.300 -0.131 0.000 2.450 216 C HA 0.257 4.717 4.460 -0.000 0.000 0.279 216 C C 2.815 177.717 174.990 -0.147 0.000 1.335 216 C CA 0.745 59.656 59.018 -0.178 0.000 1.749 216 C CB -0.646 26.952 27.740 -0.238 0.000 1.963 216 C HN 0.507 nan 8.230 nan 0.000 0.501 217 G N -0.243 108.489 108.800 -0.114 0.000 3.228 217 G HA2 0.138 4.098 3.960 -0.000 0.000 0.245 217 G HA3 0.138 4.098 3.960 -0.000 0.000 0.245 217 G C 1.324 176.186 174.900 -0.064 0.000 1.051 217 G CA 0.263 45.306 45.100 -0.095 0.000 0.809 217 G HN 0.705 nan 8.290 nan 0.000 0.531 218 Q N 0.428 120.197 119.800 -0.052 0.000 1.961 218 Q HA 0.214 4.554 4.340 -0.000 0.000 0.197 218 Q C 1.763 177.749 176.000 -0.024 0.000 0.977 218 Q CA 0.668 56.452 55.803 -0.032 0.000 0.830 218 Q CB -0.776 27.949 28.738 -0.022 0.000 0.896 218 Q HN 0.135 nan 8.270 nan 0.000 0.437 219 G N 0.695 109.485 108.800 -0.018 0.000 2.593 219 G HA2 0.083 4.043 3.960 -0.000 0.000 0.279 219 G HA3 0.083 4.043 3.960 -0.000 0.000 0.279 219 G C 1.042 175.935 174.900 -0.012 0.000 1.329 219 G CA 0.321 45.417 45.100 -0.008 0.000 1.036 219 G HN 0.206 nan 8.290 nan 0.000 0.555 220 V N -0.353 119.560 119.914 -0.002 0.000 2.332 220 V HA -0.086 4.034 4.120 -0.000 0.000 0.248 220 V C 1.687 177.775 176.094 -0.010 0.000 1.055 220 V CA 2.048 64.346 62.300 -0.002 0.000 1.038 220 V CB -1.130 30.697 31.823 0.007 0.000 0.651 220 V HN 0.578 nan 8.190 nan 0.000 0.450 221 T N 1.122 115.668 114.554 -0.012 0.000 2.837 221 T HA 0.466 4.816 4.350 -0.000 0.000 0.285 221 T C -0.248 174.410 174.700 -0.071 0.000 0.984 221 T CA -0.398 61.681 62.100 -0.035 0.000 1.049 221 T CB 1.329 70.189 68.868 -0.012 0.000 0.947 221 T HN 0.298 nan 8.240 nan 0.000 0.472 222 K N 2.362 122.696 120.400 -0.110 0.000 2.394 222 K HA 0.583 4.903 4.320 -0.000 0.000 0.260 222 K C -1.019 175.439 176.600 -0.235 0.000 0.967 222 K CA -0.625 55.572 56.287 -0.150 0.000 0.855 222 K CB 1.691 34.120 32.500 -0.120 0.000 1.101 222 K HN 0.307 nan 8.250 nan 0.000 0.433 223 V N 4.653 124.397 119.914 -0.283 0.000 2.472 223 V HA 0.310 4.429 4.120 -0.000 0.000 0.290 223 V C -2.233 173.624 176.094 -0.395 0.000 1.037 223 V CA -2.421 59.648 62.300 -0.386 0.000 0.908 223 V CB 1.333 32.903 31.823 -0.422 0.000 0.985 223 V HN 0.615 nan 8.190 nan 0.000 0.454 224 P HA 0.124 nan 4.420 nan 0.000 0.268 224 P C -0.845 176.102 177.300 -0.588 0.000 1.204 224 P CA 0.057 62.713 63.100 -0.740 0.000 0.768 224 P CB 0.370 31.310 31.700 -1.267 0.000 0.842 225 Q N 3.655 123.135 119.800 -0.533 0.000 2.333 225 Q HA 0.429 4.769 4.340 -0.000 0.000 0.268 225 Q C -1.039 174.804 176.000 -0.262 0.000 1.007 225 Q CA -0.698 54.909 55.803 -0.327 0.000 0.810 225 Q CB 1.003 29.590 28.738 -0.251 0.000 1.264 225 Q HN 0.425 nan 8.270 nan 0.000 0.452 226 M N 5.818 125.330 119.600 -0.146 0.000 2.146 226 M HA 0.371 4.851 4.480 -0.000 0.000 0.357 226 M C -1.214 175.005 176.300 -0.136 0.000 1.261 226 M CA -0.342 54.892 55.300 -0.110 0.000 1.106 226 M CB 0.518 32.994 32.600 -0.206 0.000 1.612 226 M HN 0.628 nan 8.290 nan 0.000 0.470 227 I N 3.602 124.105 120.570 -0.112 0.000 2.331 227 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 227 I C 0.321 176.198 176.117 -0.400 0.000 0.998 227 I CA -0.434 60.786 61.300 -0.133 0.000 1.267 227 I CB 1.634 39.690 38.000 0.092 0.000 1.386 227 I HN 0.645 nan 8.210 nan 0.000 0.476 228 S N 3.594 119.116 115.700 -0.296 0.000 2.548 228 S HA 0.097 4.567 4.470 -0.000 0.000 0.277 228 S C 1.305 175.703 174.600 -0.336 0.000 1.315 228 S CA -0.336 57.657 58.200 -0.346 0.000 1.050 228 S CB 1.020 64.117 63.200 -0.172 0.000 0.918 228 S HN 0.712 nan 8.310 nan 0.000 0.497 229 T N 4.946 119.263 114.554 -0.395 0.000 2.759 229 T HA -0.037 4.313 4.350 -0.000 0.000 0.269 229 T C 1.116 175.829 174.700 0.022 0.000 1.042 229 T CA 1.297 63.324 62.100 -0.122 0.000 1.140 229 T CB -0.229 68.628 68.868 -0.018 0.000 0.864 229 T HN 0.612 nan 8.240 nan 0.000 0.455 230 L N 1.105 122.350 121.223 0.038 0.000 2.851 230 L HA 0.429 4.768 4.340 -0.000 0.000 0.237 230 L C 0.901 177.779 176.870 0.013 0.000 1.257 230 L CA -0.821 54.033 54.840 0.024 0.000 1.061 230 L CB -0.606 41.507 42.059 0.090 0.000 1.372 230 L HN 0.102 nan 8.230 nan 0.000 0.493 231 A N -0.312 122.511 122.820 0.005 0.000 2.406 231 A HA 0.211 4.531 4.320 -0.000 0.000 0.243 231 A C 1.400 178.990 177.584 0.010 0.000 1.082 231 A CA 0.014 52.059 52.037 0.012 0.000 0.786 231 A CB 0.491 19.497 19.000 0.011 0.000 1.029 231 A HN 0.278 nan 8.150 nan 0.000 0.495 232 S N -0.708 115.002 115.700 0.017 0.000 2.453 232 S HA -0.030 4.439 4.470 -0.000 0.000 0.231 232 S C 0.578 175.181 174.600 0.005 0.000 1.005 232 S CA 0.540 58.744 58.200 0.007 0.000 0.949 232 S CB -0.406 62.805 63.200 0.020 0.000 0.774 232 S HN 0.716 nan 8.310 nan 0.000 0.510 233 C N 1.871 121.178 119.300 0.012 0.000 2.345 233 C HA 0.696 5.156 4.460 -0.000 0.000 0.370 233 C C 0.966 175.968 174.990 0.021 0.000 1.209 233 C CA -1.318 57.707 59.018 0.012 0.000 2.133 233 C CB 1.216 28.962 27.740 0.010 0.000 2.293 233 C HN 0.517 nan 8.230 nan 0.000 0.544 234 S N 2.075 117.784 115.700 0.016 0.000 2.601 234 S HA 0.271 4.741 4.470 -0.000 0.000 0.271 234 S C -1.493 173.123 174.600 0.027 0.000 1.305 234 S CA -0.626 57.586 58.200 0.020 0.000 1.022 234 S CB 0.851 64.053 63.200 0.005 0.000 0.940 234 S HN 0.678 nan 8.310 nan 0.000 0.525 235 P HA -0.113 nan 4.420 nan 0.000 0.219 235 P C 0.731 178.021 177.300 -0.017 0.000 1.146 235 P CA 1.197 64.309 63.100 0.021 0.000 0.808 235 P CB 0.098 31.746 31.700 -0.086 0.000 0.779 236 E N 0.749 120.934 120.200 -0.024 0.000 2.047 236 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 236 E C 2.128 178.719 176.600 -0.016 0.000 0.987 236 E CA 1.446 57.830 56.400 -0.026 0.000 0.799 236 E CB -0.738 28.947 29.700 -0.024 0.000 0.752 236 E HN 0.558 nan 8.360 nan 0.000 0.449 237 E N 0.482 120.677 120.200 -0.009 0.000 2.347 237 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 237 E C 1.786 178.381 176.600 -0.008 0.000 1.008 237 E CA 0.648 57.043 56.400 -0.008 0.000 0.852 237 E CB -0.121 29.576 29.700 -0.005 0.000 0.783 237 E HN 0.289 nan 8.360 nan 0.000 0.505 238 I N 0.821 121.390 120.570 -0.002 0.000 2.480 238 I HA -0.103 4.067 4.170 -0.000 0.000 0.251 238 I C 2.303 178.412 176.117 -0.014 0.000 1.124 238 I CA 0.637 61.935 61.300 -0.003 0.000 1.444 238 I CB -0.036 37.974 38.000 0.017 0.000 1.098 238 I HN 0.088 nan 8.210 nan 0.000 0.428 239 I N 0.633 121.196 120.570 -0.012 0.000 2.546 239 I HA -0.204 3.966 4.170 -0.000 0.000 0.255 239 I C 2.431 178.532 176.117 -0.027 0.000 1.163 239 I CA 1.139 62.426 61.300 -0.022 0.000 1.457 239 I CB -0.151 37.835 38.000 -0.024 0.000 1.092 239 I HN 0.243 nan 8.210 nan 0.000 0.434 240 E N 1.281 121.468 120.200 -0.023 0.000 2.216 240 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 240 E C 2.245 178.832 176.600 -0.023 0.000 0.988 240 E CA 0.821 57.208 56.400 -0.022 0.000 0.834 240 E CB 0.081 29.771 29.700 -0.018 0.000 0.772 240 E HN 0.431 nan 8.360 nan 0.000 0.479 241 A N 1.000 123.806 122.820 -0.023 0.000 2.121 241 A HA 0.140 4.460 4.320 -0.000 0.000 0.218 241 A C 1.341 178.905 177.584 -0.033 0.000 1.154 241 A CA 0.758 52.781 52.037 -0.025 0.000 0.679 241 A CB -0.499 18.487 19.000 -0.023 0.000 0.795 241 A HN 0.308 nan 8.150 nan 0.000 0.458 242 A N 1.225 124.021 122.820 -0.040 0.000 2.537 242 A HA 0.383 4.703 4.320 -0.000 0.000 0.260 242 A C -0.788 176.770 177.584 -0.044 0.000 1.082 242 A CA -0.426 51.580 52.037 -0.051 0.000 0.765 242 A CB -0.044 18.921 19.000 -0.059 0.000 1.019 242 A HN 0.358 nan 8.150 nan 0.000 0.507 243 P HA 0.043 nan 4.420 nan 0.000 0.245 243 P C 0.152 177.430 177.300 -0.037 0.000 1.212 243 P CA 0.570 63.649 63.100 -0.035 0.000 0.774 243 P CB 0.362 32.042 31.700 -0.032 0.000 0.999 244 S N -0.171 115.502 115.700 -0.045 0.000 2.547 244 S HA 0.301 4.771 4.470 -0.000 0.000 0.281 244 S C 0.504 175.077 174.600 -0.044 0.000 1.118 244 S CA -0.613 57.561 58.200 -0.043 0.000 0.947 244 S CB 1.225 64.394 63.200 -0.050 0.000 1.053 244 S HN -0.228 nan 8.310 nan 0.000 0.482 245 D N 3.146 123.526 120.400 -0.034 0.000 2.277 245 D HA 0.005 4.645 4.640 -0.000 0.000 0.208 245 D C 1.113 177.393 176.300 -0.033 0.000 0.962 245 D CA 0.896 54.878 54.000 -0.031 0.000 0.865 245 D CB 0.209 40.996 40.800 -0.022 0.000 0.939 245 D HN 0.591 nan 8.370 nan 0.000 0.510 246 K N 0.829 121.208 120.400 -0.034 0.000 2.365 246 K HA -0.022 4.298 4.320 -0.000 0.000 0.197 246 K C 1.177 177.744 176.600 -0.055 0.000 1.042 246 K CA 0.065 56.334 56.287 -0.031 0.000 0.987 246 K CB 0.036 32.523 32.500 -0.021 0.000 0.779 246 K HN 0.318 nan 8.250 nan 0.000 0.484 247 Q N 1.318 121.071 119.800 -0.080 0.000 2.340 247 Q HA 0.301 4.640 4.340 -0.000 0.000 0.249 247 Q C -0.468 175.439 176.000 -0.155 0.000 0.957 247 Q CA -0.299 55.427 55.803 -0.128 0.000 0.882 247 Q CB 0.883 29.539 28.738 -0.136 0.000 1.235 247 Q HN 0.039 nan 8.270 nan 0.000 0.439 248 I N 1.508 121.932 120.570 -0.244 0.000 2.498 248 I HA 0.252 4.422 4.170 -0.000 0.000 0.301 248 I C -0.214 175.650 176.117 -0.423 0.000 0.984 248 I CA -0.752 60.356 61.300 -0.319 0.000 1.204 248 I CB 1.748 39.482 38.000 -0.443 0.000 1.362 248 I HN 0.672 nan 8.210 nan 0.000 0.471 249 Q N 4.857 124.459 119.800 -0.331 0.000 2.269 249 Q HA 0.333 4.673 4.340 -0.000 0.000 0.263 249 Q C -1.705 174.260 176.000 -0.058 0.000 0.983 249 Q CA -0.664 54.990 55.803 -0.248 0.000 0.777 249 Q CB 2.307 30.982 28.738 -0.106 0.000 1.273 249 Q HN 0.442 nan 8.270 nan 0.000 0.440 250 W N 1.407 122.679 121.300 -0.048 0.000 2.497 250 W HA 0.382 5.042 4.660 -0.000 0.000 0.359 250 W C -0.399 176.155 176.519 0.058 0.000 1.131 250 W CA -0.898 56.456 57.345 0.015 0.000 1.280 250 W CB 0.638 30.072 29.460 -0.044 0.000 1.319 250 W HN 0.526 nan 8.180 nan 0.000 0.626 251 Y N 1.843 122.281 120.300 0.231 0.000 2.341 251 Y HA 0.177 4.726 4.550 -0.000 0.000 0.338 251 Y C 0.181 176.129 175.900 0.079 0.000 0.965 251 Y CA -0.763 57.394 58.100 0.094 0.000 1.108 251 Y CB 1.297 39.793 38.460 0.059 0.000 1.180 251 Y HN 0.228 nan 8.280 nan 0.000 0.458 252 Q N 6.267 125.723 119.800 -0.572 0.000 2.274 252 Q HA 0.309 4.649 4.340 -0.000 0.000 0.256 252 Q C -1.990 173.673 176.000 -0.562 0.000 0.927 252 Q CA -0.656 54.876 55.803 -0.451 0.000 0.939 252 Q CB 1.388 29.829 28.738 -0.495 0.000 1.201 252 Q HN 0.817 nan 8.270 nan 0.000 0.426 253 L N 5.423 126.506 121.223 -0.235 0.000 2.322 253 L HA 0.384 4.723 4.340 -0.000 0.000 0.281 253 L C -1.784 175.054 176.870 -0.053 0.000 1.014 253 L CA -0.440 54.358 54.840 -0.071 0.000 0.815 253 L CB 1.138 43.252 42.059 0.091 0.000 1.247 253 L HN 0.485 nan 8.230 nan 0.000 0.421 254 Y N 5.065 125.393 120.300 0.047 0.000 2.478 254 Y HA 0.363 4.913 4.550 -0.000 0.000 0.329 254 Y C -0.005 175.941 175.900 0.077 0.000 0.967 254 Y CA -1.035 57.102 58.100 0.061 0.000 1.255 254 Y CB 1.486 39.994 38.460 0.079 0.000 1.103 254 Y HN 0.448 nan 8.280 nan 0.000 0.497 255 V N 2.972 123.013 119.914 0.212 0.000 2.585 255 V HA 0.178 4.298 4.120 -0.000 0.000 0.296 255 V C 0.233 176.403 176.094 0.127 0.000 1.035 255 V CA -0.383 62.001 62.300 0.140 0.000 1.084 255 V CB 0.478 32.351 31.823 0.084 0.000 0.953 255 V HN 0.828 nan 8.190 nan 0.000 0.483 256 N N 4.066 122.840 118.700 0.122 0.000 2.467 256 N HA 0.213 4.953 4.740 -0.000 0.000 0.262 256 N C 1.253 176.796 175.510 0.055 0.000 1.234 256 N CA 0.326 53.439 53.050 0.105 0.000 0.952 256 N CB 1.328 39.888 38.487 0.121 0.000 1.158 256 N HN 0.832 nan 8.380 nan 0.000 0.463 257 S N 0.093 115.808 115.700 0.025 0.000 2.382 257 S HA -0.148 4.321 4.470 -0.000 0.000 0.228 257 S C 0.328 174.935 174.600 0.012 0.000 1.027 257 S CA 0.875 59.075 58.200 0.001 0.000 0.991 257 S CB -0.108 63.074 63.200 -0.030 0.000 0.823 257 S HN 0.665 nan 8.310 nan 0.000 0.469 258 D N 1.396 121.810 120.400 0.023 0.000 2.517 258 D HA 0.128 4.768 4.640 -0.000 0.000 0.220 258 D C 0.870 177.193 176.300 0.039 0.000 1.158 258 D CA -0.279 53.737 54.000 0.027 0.000 0.992 258 D CB 0.127 40.946 40.800 0.032 0.000 1.058 258 D HN -0.093 nan 8.370 nan 0.000 0.516 259 R N 2.405 122.924 120.500 0.032 0.000 2.211 259 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 259 R C 1.634 177.956 176.300 0.036 0.000 1.144 259 R CA 0.711 56.833 56.100 0.036 0.000 0.992 259 R CB -0.312 30.005 30.300 0.028 0.000 0.869 259 R HN 0.300 nan 8.270 nan 0.000 0.462 260 K N 1.409 121.828 120.400 0.032 0.000 2.097 260 K HA -0.032 4.288 4.320 -0.000 0.000 0.206 260 K C 1.924 178.545 176.600 0.035 0.000 1.049 260 K CA 1.201 57.505 56.287 0.028 0.000 0.933 260 K CB -0.311 32.203 32.500 0.024 0.000 0.717 260 K HN 0.171 nan 8.250 nan 0.000 0.442 261 I N 0.153 120.750 120.570 0.046 0.000 2.252 261 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 261 I C 1.778 177.932 176.117 0.062 0.000 1.102 261 I CA 1.530 62.864 61.300 0.056 0.000 1.385 261 I CB -0.485 37.561 38.000 0.076 0.000 1.064 261 I HN 0.178 nan 8.210 nan 0.000 0.414 262 T N -0.374 114.222 114.554 0.070 0.000 2.904 262 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 262 T C 1.503 176.236 174.700 0.055 0.000 1.059 262 T CA 1.629 63.776 62.100 0.079 0.000 1.137 262 T CB -0.322 68.597 68.868 0.086 0.000 0.879 262 T HN 0.389 nan 8.240 nan 0.000 0.467 263 D N 1.262 121.687 120.400 0.041 0.000 2.104 263 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 263 D C 1.726 178.037 176.300 0.018 0.000 0.994 263 D CA 1.182 55.199 54.000 0.027 0.000 0.830 263 D CB -0.090 40.724 40.800 0.023 0.000 0.959 263 D HN 0.184 nan 8.370 nan 0.000 0.452 264 D N 0.095 120.506 120.400 0.017 0.000 2.117 264 D HA -0.130 4.509 4.640 -0.000 0.000 0.198 264 D C 2.266 178.560 176.300 -0.009 0.000 0.982 264 D CA 0.302 54.305 54.000 0.005 0.000 0.828 264 D CB -0.467 40.338 40.800 0.009 0.000 0.967 264 D HN 0.285 nan 8.370 nan 0.000 0.464 265 L N 0.795 122.020 121.223 0.004 0.000 2.013 265 L HA -0.207 4.132 4.340 -0.000 0.000 0.212 265 L C 2.422 179.254 176.870 -0.063 0.000 1.073 265 L CA 1.141 55.969 54.840 -0.021 0.000 0.753 265 L CB -0.218 41.871 42.059 0.052 0.000 0.890 265 L HN -0.045 nan 8.230 nan 0.000 0.432 266 V N -0.135 119.772 119.914 -0.011 0.000 2.332 266 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 266 V C 2.614 178.685 176.094 -0.038 0.000 1.055 266 V CA 1.655 63.948 62.300 -0.013 0.000 1.038 266 V CB -0.646 31.187 31.823 0.017 0.000 0.651 266 V HN 0.426 nan 8.190 nan 0.000 0.450 267 K N 0.306 120.688 120.400 -0.030 0.000 2.002 267 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 267 K C 2.034 178.602 176.600 -0.052 0.000 1.048 267 K CA 1.716 57.985 56.287 -0.031 0.000 0.930 267 K CB -1.085 31.403 32.500 -0.020 0.000 0.714 267 K HN 0.584 nan 8.250 nan 0.000 0.438 268 N N 1.330 119.989 118.700 -0.070 0.000 2.084 268 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 268 N C 1.871 177.302 175.510 -0.132 0.000 1.030 268 N CA 2.204 55.200 53.050 -0.090 0.000 0.849 268 N CB 0.164 38.595 38.487 -0.093 0.000 1.012 268 N HN 0.063 nan 8.380 nan 0.000 0.423 269 V N -1.183 118.603 119.914 -0.214 0.000 2.548 269 V HA -0.058 4.062 4.120 -0.000 0.000 0.249 269 V C 2.162 178.174 176.094 -0.137 0.000 1.055 269 V CA 1.734 63.868 62.300 -0.277 0.000 1.065 269 V CB -0.785 30.672 31.823 -0.610 0.000 0.681 269 V HN 0.267 nan 8.190 nan 0.000 0.462 270 E N 0.992 121.138 120.200 -0.091 0.000 2.072 270 E HA -0.258 4.092 4.350 -0.000 0.000 0.191 270 E C 2.329 178.908 176.600 -0.035 0.000 0.985 270 E CA 1.583 57.960 56.400 -0.040 0.000 0.801 270 E CB -0.181 29.504 29.700 -0.025 0.000 0.750 270 E HN 0.717 nan 8.360 nan 0.000 0.452 271 K N 0.549 120.923 120.400 -0.044 0.000 2.057 271 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 271 K C 2.096 178.674 176.600 -0.037 0.000 1.049 271 K CA 1.095 57.361 56.287 -0.035 0.000 0.931 271 K CB -0.154 32.324 32.500 -0.036 0.000 0.714 271 K HN 0.199 nan 8.250 nan 0.000 0.440 272 L N 0.028 121.218 121.223 -0.054 0.000 2.549 272 L HA -0.074 4.266 4.340 -0.000 0.000 0.230 272 L C 1.252 178.100 176.870 -0.035 0.000 1.162 272 L CA 0.985 55.794 54.840 -0.052 0.000 0.834 272 L CB -0.280 41.733 42.059 -0.077 0.000 0.947 272 L HN 0.725 nan 8.230 nan 0.000 0.452 273 G N -0.338 108.447 108.800 -0.025 0.000 2.159 273 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.227 273 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.227 273 G C 0.367 175.275 174.900 0.013 0.000 0.986 273 G CA 0.036 45.132 45.100 -0.007 0.000 0.651 273 G HN 0.236 nan 8.290 nan 0.000 0.523 274 V N -1.191 118.735 119.914 0.021 0.000 2.599 274 V HA 0.520 4.640 4.120 -0.000 0.000 0.300 274 V C 1.547 177.716 176.094 0.125 0.000 1.034 274 V CA 0.768 63.116 62.300 0.080 0.000 1.115 274 V CB 0.972 32.864 31.823 0.116 0.000 0.934 274 V HN 0.162 nan 8.190 nan 0.000 0.485 275 K N 3.228 123.744 120.400 0.193 0.000 2.362 275 K HA 0.412 4.732 4.320 -0.000 0.000 0.200 275 K C 0.625 177.369 176.600 0.241 0.000 1.046 275 K CA 1.278 57.707 56.287 0.237 0.000 0.952 275 K CB -0.065 32.605 32.500 0.285 0.000 0.753 275 K HN 1.171 nan 8.250 nan 0.000 0.466 276 A N -0.572 122.414 122.820 0.275 0.000 2.586 276 A HA 0.566 4.886 4.320 -0.000 0.000 0.290 276 A C -1.783 175.857 177.584 0.094 0.000 1.086 276 A CA -0.799 51.270 52.037 0.055 0.000 0.665 276 A CB 0.900 19.755 19.000 -0.243 0.000 1.279 276 A HN 0.035 nan 8.150 nan 0.000 0.423 277 L N 1.004 122.192 121.223 -0.057 0.000 2.319 277 L HA 0.526 4.865 4.340 -0.000 0.000 0.281 277 L C -1.553 175.233 176.870 -0.141 0.000 1.005 277 L CA -0.214 54.633 54.840 0.013 0.000 0.828 277 L CB 1.120 43.183 42.059 0.007 0.000 1.227 277 L HN 0.636 nan 8.230 nan 0.000 0.415 278 F N 3.517 123.369 119.950 -0.164 0.000 2.334 278 F HA 0.270 4.796 4.527 -0.000 0.000 0.367 278 F C 0.269 175.969 175.800 -0.167 0.000 1.115 278 F CA -0.526 57.345 58.000 -0.215 0.000 1.116 278 F CB 1.587 40.418 39.000 -0.281 0.000 1.230 278 F HN 0.069 nan 8.300 nan 0.000 0.484 279 V N 4.869 124.776 119.914 -0.012 0.000 2.368 279 V HA 0.298 4.418 4.120 -0.000 0.000 0.266 279 V C 0.108 176.200 176.094 -0.003 0.000 1.045 279 V CA -0.173 62.119 62.300 -0.014 0.000 0.899 279 V CB 0.695 32.506 31.823 -0.019 0.000 1.006 279 V HN 0.727 nan 8.190 nan 0.000 0.470 280 T N 7.046 121.601 114.554 0.001 0.000 2.750 280 T HA 0.113 4.463 4.350 -0.000 0.000 0.286 280 T C 1.040 175.825 174.700 0.142 0.000 0.911 280 T CA 0.476 62.621 62.100 0.076 0.000 1.130 280 T CB 0.778 69.681 68.868 0.058 0.000 0.873 280 T HN 0.977 nan 8.240 nan 0.000 0.536 281 V N 0.435 120.391 119.914 0.069 0.000 3.647 281 V HA 0.154 4.274 4.120 -0.000 0.000 0.279 281 V C 1.227 177.346 176.094 0.042 0.000 1.314 281 V CA 0.208 62.516 62.300 0.013 0.000 1.125 281 V CB -0.314 31.447 31.823 -0.103 0.000 0.907 281 V HN 0.741 nan 8.190 nan 0.000 0.434 282 D N 1.031 121.500 120.400 0.115 0.000 2.342 282 D HA 0.380 5.020 4.640 -0.000 0.000 0.221 282 D C 0.921 177.258 176.300 0.062 0.000 1.101 282 D CA 0.656 54.718 54.000 0.104 0.000 0.837 282 D CB 0.450 41.340 40.800 0.151 0.000 0.938 282 D HN 0.524 nan 8.370 nan 0.000 0.508 283 A N 1.294 124.150 122.820 0.060 0.000 2.812 283 A HA 0.328 4.648 4.320 -0.000 0.000 0.294 283 A C -1.316 176.221 177.584 -0.078 0.000 1.014 283 A CA -0.691 51.311 52.037 -0.059 0.000 1.024 283 A CB 0.416 19.358 19.000 -0.095 0.000 1.162 283 A HN 0.073 nan 8.150 nan 0.000 0.511 284 P HA -0.067 nan 4.420 nan 0.000 0.220 284 P C 0.917 178.177 177.300 -0.067 0.000 1.148 284 P CA 1.229 64.298 63.100 -0.051 0.000 0.803 284 P CB 0.463 32.144 31.700 -0.032 0.000 0.782 285 S N -2.076 113.584 115.700 -0.066 0.000 2.795 285 S HA 0.359 4.828 4.470 -0.000 0.000 0.308 285 S C 0.881 175.434 174.600 -0.079 0.000 1.098 285 S CA -0.740 57.423 58.200 -0.063 0.000 0.934 285 S CB 0.113 63.288 63.200 -0.041 0.000 1.300 285 S HN -0.097 nan 8.310 nan 0.000 0.566 286 L N 2.178 123.364 121.223 -0.061 0.000 1.925 286 L HA 0.315 4.655 4.340 -0.000 0.000 0.215 286 L C 1.175 178.003 176.870 -0.071 0.000 1.082 286 L CA 2.597 57.403 54.840 -0.058 0.000 0.764 286 L CB -1.428 40.611 42.059 -0.034 0.000 0.887 286 L HN 1.117 nan 8.230 nan 0.000 0.432 287 G N 0.819 109.587 108.800 -0.054 0.000 2.734 287 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.277 287 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.277 287 G C -0.060 174.812 174.900 -0.045 0.000 1.099 287 G CA 0.229 45.293 45.100 -0.060 0.000 1.218 287 G HN 0.702 nan 8.290 nan 0.000 0.554 288 Q N -0.139 119.648 119.800 -0.022 0.000 2.264 288 Q HA 0.192 4.532 4.340 -0.000 0.000 0.296 288 Q C 0.261 176.251 176.000 -0.016 0.000 1.103 288 Q CA 0.576 56.373 55.803 -0.011 0.000 0.967 288 Q CB 0.206 28.948 28.738 0.006 0.000 1.090 288 Q HN 0.369 nan 8.270 nan 0.000 0.379 289 K N 4.022 124.411 120.400 -0.019 0.000 2.291 289 K HA 0.082 4.402 4.320 -0.000 0.000 0.242 289 K C 0.153 176.740 176.600 -0.021 0.000 1.098 289 K CA -0.065 56.203 56.287 -0.031 0.000 1.036 289 K CB 0.643 33.121 32.500 -0.038 0.000 1.655 289 K HN 0.578 nan 8.250 nan 0.000 0.432 290 E N 1.272 121.468 120.200 -0.006 0.000 2.219 290 E HA -0.266 4.084 4.350 -0.000 0.000 0.198 290 E C 0.931 177.532 176.600 0.001 0.000 0.998 290 E CA 1.302 57.708 56.400 0.010 0.000 0.818 290 E CB 0.125 29.847 29.700 0.037 0.000 0.741 290 E HN 0.351 nan 8.360 nan 0.000 0.477 291 K N 0.457 120.850 120.400 -0.011 0.000 2.097 291 K HA -0.163 4.156 4.320 -0.000 0.000 0.206 291 K C 1.831 178.416 176.600 -0.025 0.000 1.049 291 K CA 1.307 57.587 56.287 -0.011 0.000 0.933 291 K CB 0.002 32.477 32.500 -0.041 0.000 0.717 291 K HN 0.035 nan 8.250 nan 0.000 0.442 292 D N 0.656 121.034 120.400 -0.038 0.000 2.120 292 D HA -0.038 4.602 4.640 -0.000 0.000 0.202 292 D C 1.898 178.125 176.300 -0.123 0.000 0.972 292 D CA 1.018 54.991 54.000 -0.044 0.000 0.837 292 D CB 0.095 40.903 40.800 0.014 0.000 0.989 292 D HN 0.037 nan 8.370 nan 0.000 0.469 293 M N 0.224 119.740 119.600 -0.141 0.000 2.088 293 M HA -0.223 4.256 4.480 -0.000 0.000 0.256 293 M C 2.266 178.235 176.300 -0.551 0.000 1.071 293 M CA 1.574 56.698 55.300 -0.295 0.000 1.097 293 M CB -0.284 32.226 32.600 -0.150 0.000 1.315 293 M HN -0.088 nan 8.290 nan 0.000 0.406 294 K N 0.215 120.479 120.400 -0.227 0.000 2.218 294 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 294 K C 1.862 178.396 176.600 -0.111 0.000 1.046 294 K CA 0.836 57.095 56.287 -0.046 0.000 0.933 294 K CB -0.043 32.516 32.500 0.098 0.000 0.728 294 K HN 0.260 nan 8.250 nan 0.000 0.454 295 L N 0.781 121.908 121.223 -0.160 0.000 2.109 295 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 295 L C 1.177 177.955 176.870 -0.153 0.000 1.086 295 L CA 1.702 56.483 54.840 -0.099 0.000 0.760 295 L CB -0.333 41.684 42.059 -0.070 0.000 0.910 295 L HN 0.022 nan 8.230 nan 0.000 0.437 296 K N -0.775 119.426 120.400 -0.331 0.000 2.611 296 K HA 0.008 4.328 4.320 -0.000 0.000 0.193 296 K C -0.210 176.271 176.600 -0.198 0.000 1.026 296 K CA 0.128 56.240 56.287 -0.291 0.000 1.063 296 K CB -0.253 32.046 32.500 -0.334 0.000 0.839 296 K HN -0.004 nan 8.250 nan 0.000 0.505 324 K N 0.665 120.612 120.400 -0.755 0.000 2.308 324 K HA 0.159 4.479 4.320 -0.000 0.000 0.197 324 K C 0.798 177.177 176.600 -0.369 0.000 1.049 324 K CA 0.639 56.623 56.287 -0.506 0.000 0.991 324 K CB -0.053 32.140 32.500 -0.510 0.000 0.836 324 K HN 0.422 nan 8.250 nan 0.000 0.500 325 F N 1.698 121.625 119.950 -0.038 0.000 2.216 325 F HA 0.041 4.568 4.527 -0.000 0.000 0.300 325 F C 0.974 176.750 175.800 -0.039 0.000 1.085 325 F CA 0.422 58.410 58.000 -0.020 0.000 1.326 325 F CB -0.360 38.633 39.000 -0.012 0.000 1.027 325 F HN -0.144 nan 8.300 nan 0.000 0.497 326 I N 1.363 121.945 120.570 0.020 0.000 2.307 326 I HA 0.116 4.286 4.170 -0.000 0.000 0.289 326 I C -0.326 175.761 176.117 -0.050 0.000 1.021 326 I CA -0.735 60.532 61.300 -0.055 0.000 1.224 326 I CB 0.631 38.496 38.000 -0.225 0.000 1.376 326 I HN -0.141 nan 8.210 nan 0.000 0.470 327 D N 9.350 129.745 120.400 -0.007 0.000 2.338 327 D HA 0.159 4.799 4.640 -0.000 0.000 0.255 327 D C -1.762 174.524 176.300 -0.023 0.000 1.237 327 D CA -1.880 52.111 54.000 -0.015 0.000 0.883 327 D CB 1.596 42.400 40.800 0.007 0.000 1.087 327 D HN 0.246 nan 8.370 nan 0.000 0.485 328 P HA 0.072 nan 4.420 nan 0.000 0.242 328 P C 0.171 177.458 177.300 -0.023 0.000 1.197 328 P CA 0.337 63.417 63.100 -0.033 0.000 0.765 328 P CB 0.456 32.133 31.700 -0.038 0.000 0.936 329 S N -1.242 114.448 115.700 -0.018 0.000 2.593 329 S HA 0.195 4.665 4.470 -0.000 0.000 0.236 329 S C 0.575 175.167 174.600 -0.014 0.000 0.991 329 S CA -0.381 57.812 58.200 -0.011 0.000 0.963 329 S CB -0.175 63.022 63.200 -0.006 0.000 0.865 329 S HN 0.133 nan 8.310 nan 0.000 0.488 330 L N 2.605 123.813 121.223 -0.025 0.000 2.514 330 L HA 0.132 4.472 4.340 -0.000 0.000 0.280 330 L C 0.229 177.057 176.870 -0.069 0.000 1.223 330 L CA 0.771 55.585 54.840 -0.043 0.000 0.864 330 L CB 0.658 42.684 42.059 -0.056 0.000 1.118 330 L HN 0.215 nan 8.230 nan 0.000 0.494 331 T N 0.504 115.019 114.554 -0.065 0.000 2.865 331 T HA 0.151 4.501 4.350 -0.000 0.000 0.294 331 T C 0.310 174.978 174.700 -0.053 0.000 1.119 331 T CA -0.506 61.565 62.100 -0.048 0.000 1.007 331 T CB 1.105 70.002 68.868 0.049 0.000 1.225 331 T HN 0.552 nan 8.240 nan 0.000 0.515 332 W N 0.758 122.068 121.300 0.016 0.000 2.374 332 W HA -0.017 4.643 4.660 -0.000 0.000 0.288 332 W C 2.299 178.823 176.519 0.010 0.000 1.218 332 W CA 0.434 57.786 57.345 0.013 0.000 1.245 332 W CB 0.007 29.473 29.460 0.010 0.000 1.126 332 W HN 0.428 nan 8.180 nan 0.000 0.545 333 K N 0.533 121.065 120.400 0.220 0.000 2.097 333 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 333 K C 1.188 177.839 176.600 0.085 0.000 1.049 333 K CA 1.753 58.118 56.287 0.130 0.000 0.933 333 K CB -0.714 31.843 32.500 0.095 0.000 0.717 333 K HN 0.191 nan 8.250 nan 0.000 0.442 334 D N 0.606 121.042 120.400 0.059 0.000 2.144 334 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 334 D C 1.787 178.104 176.300 0.028 0.000 0.978 334 D CA 0.638 54.656 54.000 0.030 0.000 0.833 334 D CB -0.006 40.798 40.800 0.007 0.000 0.961 334 D HN 0.067 nan 8.370 nan 0.000 0.470 335 I N 1.131 121.720 120.570 0.031 0.000 2.315 335 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 335 I C 2.001 178.154 176.117 0.060 0.000 1.117 335 I CA 1.146 62.465 61.300 0.032 0.000 1.404 335 I CB -0.982 37.038 38.000 0.033 0.000 1.071 335 I HN 0.145 nan 8.210 nan 0.000 0.419 336 E N 0.612 120.865 120.200 0.090 0.000 2.160 336 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 336 E C 1.799 178.427 176.600 0.046 0.000 0.991 336 E CA 0.908 57.352 56.400 0.074 0.000 0.810 336 E CB 0.065 29.814 29.700 0.082 0.000 0.742 336 E HN 0.474 nan 8.360 nan 0.000 0.466 337 E N 0.351 120.576 120.200 0.041 0.000 2.250 337 E HA -0.069 4.280 4.350 -0.000 0.000 0.192 337 E C 1.983 178.597 176.600 0.023 0.000 0.986 337 E CA 0.181 56.599 56.400 0.029 0.000 0.849 337 E CB -0.080 29.637 29.700 0.028 0.000 0.797 337 E HN 0.158 nan 8.360 nan 0.000 0.482 338 L N 1.533 122.769 121.223 0.022 0.000 2.201 338 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 338 L C 1.791 178.667 176.870 0.010 0.000 1.105 338 L CA 1.602 56.451 54.840 0.015 0.000 0.775 338 L CB -0.119 41.946 42.059 0.010 0.000 0.913 338 L HN -0.101 nan 8.230 nan 0.000 0.440 339 K N -0.479 119.929 120.400 0.013 0.000 2.148 339 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 339 K C 1.965 178.569 176.600 0.007 0.000 1.050 339 K CA 1.465 57.757 56.287 0.008 0.000 0.942 339 K CB -0.054 32.455 32.500 0.014 0.000 0.724 339 K HN 0.363 nan 8.250 nan 0.000 0.446 340 K N 0.724 121.131 120.400 0.011 0.000 2.167 340 K HA -0.020 4.299 4.320 -0.000 0.000 0.203 340 K C 1.379 177.983 176.600 0.008 0.000 1.052 340 K CA 0.759 57.052 56.287 0.010 0.000 0.956 340 K CB 0.192 32.699 32.500 0.012 0.000 0.735 340 K HN -0.003 nan 8.250 nan 0.000 0.451 341 K N 0.792 121.197 120.400 0.009 0.000 2.476 341 K HA 0.061 4.381 4.320 -0.000 0.000 0.196 341 K C 0.155 176.758 176.600 0.005 0.000 1.025 341 K CA 0.324 56.615 56.287 0.008 0.000 1.138 341 K CB 0.677 33.183 32.500 0.011 0.000 0.860 341 K HN -0.025 nan 8.250 nan 0.000 0.515 342 T N -0.570 113.986 114.554 0.003 0.000 2.942 342 T HA 0.227 4.577 4.350 -0.000 0.000 0.327 342 T C -0.281 174.417 174.700 -0.003 0.000 1.360 342 T CA -0.649 61.451 62.100 -0.000 0.000 1.055 342 T CB 1.558 70.426 68.868 -0.000 0.000 1.261 342 T HN -0.058 nan 8.240 nan 0.000 0.485 343 K N 1.946 122.344 120.400 -0.002 0.000 2.352 343 K HA 0.345 4.665 4.320 -0.000 0.000 0.194 343 K C 0.593 177.190 176.600 -0.005 0.000 1.038 343 K CA 0.021 56.306 56.287 -0.002 0.000 1.023 343 K CB 0.202 32.703 32.500 0.001 0.000 0.840 343 K HN 0.464 nan 8.250 nan 0.000 0.519 344 L N 3.111 124.331 121.223 -0.005 0.000 2.456 344 L HA 0.096 4.436 4.340 -0.000 0.000 0.272 344 L C -2.224 174.620 176.870 -0.042 0.000 1.189 344 L CA -1.889 52.945 54.840 -0.009 0.000 0.846 344 L CB -0.043 42.019 42.059 0.004 0.000 1.111 344 L HN -0.213 nan 8.230 nan 0.000 0.475 345 P HA 0.124 nan 4.420 nan 0.000 0.267 345 P C -0.651 176.526 177.300 -0.205 0.000 1.205 345 P CA 0.322 63.349 63.100 -0.122 0.000 0.765 345 P CB 0.489 32.106 31.700 -0.138 0.000 0.828 346 I N 3.161 123.616 120.570 -0.192 0.000 2.377 346 I HA 0.323 4.493 4.170 -0.000 0.000 0.293 346 I C -0.357 175.567 176.117 -0.322 0.000 0.987 346 I CA -0.785 60.376 61.300 -0.231 0.000 1.185 346 I CB 1.703 39.632 38.000 -0.118 0.000 1.341 346 I HN -0.028 nan 8.210 nan 0.000 0.455 347 V N 7.373 126.984 119.914 -0.504 0.000 2.483 347 V HA 0.369 4.489 4.120 -0.000 0.000 0.297 347 V C 0.019 175.926 176.094 -0.311 0.000 1.027 347 V CA -0.529 61.442 62.300 -0.547 0.000 0.855 347 V CB 1.954 33.009 31.823 -1.279 0.000 0.995 347 V HN 0.477 nan 8.190 nan 0.000 0.424 348 I N 4.882 125.372 120.570 -0.134 0.000 2.329 348 I HA 0.220 4.390 4.170 -0.000 0.000 0.295 348 I C 0.602 176.720 176.117 0.003 0.000 1.109 348 I CA 0.160 61.420 61.300 -0.067 0.000 1.297 348 I CB 0.317 38.285 38.000 -0.054 0.000 1.433 348 I HN 0.526 nan 8.210 nan 0.000 0.509 349 K N 5.918 126.340 120.400 0.037 0.000 2.276 349 K HA 0.452 4.772 4.320 -0.000 0.000 0.285 349 K C 0.615 177.265 176.600 0.084 0.000 1.062 349 K CA 0.045 56.394 56.287 0.103 0.000 0.918 349 K CB 0.686 33.264 32.500 0.129 0.000 1.055 349 K HN 0.851 nan 8.250 nan 0.000 0.477 350 G N 2.404 111.264 108.800 0.100 0.000 2.186 350 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.130 350 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.130 350 G C -0.454 174.500 174.900 0.090 0.000 1.031 350 G CA -0.391 44.771 45.100 0.104 0.000 0.697 350 G HN 0.483 nan 8.290 nan 0.000 0.494 351 V N 0.304 120.277 119.914 0.097 0.000 2.583 351 V HA 0.436 4.556 4.120 -0.000 0.000 0.287 351 V C 1.009 177.164 176.094 0.101 0.000 1.051 351 V CA 0.514 62.877 62.300 0.104 0.000 1.010 351 V CB 1.567 33.466 31.823 0.128 0.000 0.988 351 V HN 0.474 nan 8.190 nan 0.000 0.478 352 Q N 3.853 123.711 119.800 0.097 0.000 2.135 352 Q HA 0.326 4.666 4.340 -0.000 0.000 0.222 352 Q C -0.013 176.035 176.000 0.079 0.000 0.808 352 Q CA -0.197 55.656 55.803 0.084 0.000 1.049 352 Q CB 0.720 29.506 28.738 0.079 0.000 1.168 352 Q HN 0.827 nan 8.270 nan 0.000 0.483 353 R N -2.447 118.105 120.500 0.088 0.000 2.594 353 R HA 0.390 4.730 4.340 -0.000 0.000 0.265 353 R C -0.231 176.115 176.300 0.077 0.000 1.070 353 R CA -0.597 55.548 56.100 0.076 0.000 0.909 353 R CB 0.393 30.738 30.300 0.076 0.000 1.243 353 R HN -0.227 nan 8.270 nan 0.000 0.455 354 T N 1.250 115.838 114.554 0.056 0.000 2.737 354 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 354 T C 0.989 175.714 174.700 0.042 0.000 1.040 354 T CA 2.263 64.391 62.100 0.046 0.000 1.142 354 T CB -0.147 68.739 68.868 0.031 0.000 0.861 354 T HN 0.635 nan 8.240 nan 0.000 0.456 355 E N 1.228 121.453 120.200 0.041 0.000 2.118 355 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 355 E C 1.985 178.604 176.600 0.032 0.000 0.992 355 E CA 1.150 57.564 56.400 0.024 0.000 0.804 355 E CB -0.226 29.490 29.700 0.027 0.000 0.741 355 E HN 0.434 nan 8.360 nan 0.000 0.458 356 D N -0.608 119.857 120.400 0.108 0.000 2.289 356 D HA -0.026 4.614 4.640 -0.000 0.000 0.207 356 D C 1.820 178.244 176.300 0.207 0.000 0.966 356 D CA 0.350 54.483 54.000 0.223 0.000 0.868 356 D CB 0.144 41.160 40.800 0.360 0.000 0.943 356 D HN 0.038 nan 8.370 nan 0.000 0.514 357 V N 1.256 121.247 119.914 0.128 0.000 2.358 357 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 357 V C 2.473 178.598 176.094 0.052 0.000 1.047 357 V CA 1.007 63.370 62.300 0.105 0.000 1.035 357 V CB -0.246 31.619 31.823 0.071 0.000 0.658 357 V HN 0.178 nan 8.190 nan 0.000 0.452 358 I N -0.349 120.226 120.570 0.007 0.000 2.179 358 I HA -0.261 3.908 4.170 -0.000 0.000 0.242 358 I C 2.527 178.577 176.117 -0.113 0.000 1.088 358 I CA 1.648 62.923 61.300 -0.042 0.000 1.357 358 I CB -0.446 37.524 38.000 -0.049 0.000 1.051 358 I HN 0.245 nan 8.210 nan 0.000 0.409 359 K N 0.921 121.193 120.400 -0.212 0.000 2.097 359 K HA -0.153 4.166 4.320 -0.000 0.000 0.206 359 K C 2.269 178.603 176.600 -0.443 0.000 1.049 359 K CA 1.460 57.424 56.287 -0.538 0.000 0.933 359 K CB -0.265 31.570 32.500 -1.109 0.000 0.717 359 K HN 0.329 nan 8.250 nan 0.000 0.442 360 A N 1.502 124.291 122.820 -0.051 0.000 1.877 360 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 360 A C 2.382 180.011 177.584 0.075 0.000 1.186 360 A CA 1.923 54.101 52.037 0.235 0.000 0.620 360 A CB -0.769 18.398 19.000 0.278 0.000 0.822 360 A HN 0.338 nan 8.150 nan 0.000 0.443 361 A N -0.234 122.595 122.820 0.015 0.000 1.933 361 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 361 A C 1.908 179.475 177.584 -0.029 0.000 1.175 361 A CA 1.670 53.704 52.037 -0.005 0.000 0.628 361 A CB -0.541 18.451 19.000 -0.014 0.000 0.814 361 A HN 0.660 nan 8.150 nan 0.000 0.444 362 E N -0.116 120.038 120.200 -0.076 0.000 2.051 362 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 362 E C 1.861 178.425 176.600 -0.059 0.000 0.991 362 E CA 1.510 57.857 56.400 -0.089 0.000 0.799 362 E CB -0.439 29.168 29.700 -0.155 0.000 0.748 362 E HN 0.916 nan 8.360 nan 0.000 0.449 363 I N -2.368 118.177 120.570 -0.042 0.000 3.444 363 I HA 0.212 4.381 4.170 -0.000 0.000 0.287 363 I C 1.106 177.245 176.117 0.036 0.000 1.302 363 I CA 0.610 61.924 61.300 0.023 0.000 1.368 363 I CB -0.325 37.745 38.000 0.118 0.000 1.048 363 I HN 0.096 nan 8.210 nan 0.000 0.487 364 G N 2.304 111.117 108.800 0.021 0.000 2.246 364 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.273 364 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.273 364 G C 0.182 175.094 174.900 0.020 0.000 1.055 364 G CA 0.243 45.353 45.100 0.016 0.000 0.851 364 G HN 0.672 nan 8.290 nan 0.000 0.500 365 V N -2.538 117.398 119.914 0.036 0.000 3.133 365 V HA 0.713 4.833 4.120 -0.000 0.000 0.305 365 V C 1.586 177.670 176.094 -0.017 0.000 1.084 365 V CA 0.599 62.905 62.300 0.010 0.000 1.089 365 V CB 1.199 33.035 31.823 0.021 0.000 1.073 365 V HN 0.296 nan 8.190 nan 0.000 0.477 366 S N 1.457 117.123 115.700 -0.057 0.000 2.382 366 S HA 0.246 4.716 4.470 -0.000 0.000 0.228 366 S C 0.815 175.385 174.600 -0.049 0.000 1.027 366 S CA 1.227 59.387 58.200 -0.067 0.000 0.991 366 S CB -0.296 62.835 63.200 -0.116 0.000 0.823 366 S HN 1.458 nan 8.310 nan 0.000 0.469 367 G N -0.784 107.978 108.800 -0.063 0.000 2.634 367 G HA2 0.577 4.537 3.960 -0.000 0.000 0.309 367 G HA3 0.577 4.537 3.960 -0.000 0.000 0.309 367 G C -1.989 172.926 174.900 0.025 0.000 1.299 367 G CA -0.340 44.771 45.100 0.018 0.000 0.798 367 G HN 0.164 nan 8.290 nan 0.000 0.490 368 V N -1.197 118.796 119.914 0.133 0.000 3.120 368 V HA 0.638 4.758 4.120 -0.000 0.000 0.303 368 V C -1.288 174.963 176.094 0.262 0.000 1.238 368 V CA -0.568 61.812 62.300 0.135 0.000 1.008 368 V CB 2.304 34.197 31.823 0.117 0.000 1.064 368 V HN 0.823 nan 8.190 nan 0.000 0.434 369 V N 6.409 126.458 119.914 0.225 0.000 2.349 369 V HA 0.432 4.552 4.120 -0.000 0.000 0.284 369 V C -0.054 176.161 176.094 0.202 0.000 1.014 369 V CA -0.497 61.977 62.300 0.290 0.000 0.826 369 V CB 1.413 33.412 31.823 0.292 0.000 1.009 369 V HN 0.667 nan 8.190 nan 0.000 0.431 370 L N 4.460 125.796 121.223 0.188 0.000 2.565 370 L HA 0.424 4.764 4.340 -0.000 0.000 0.275 370 L C 0.497 177.449 176.870 0.137 0.000 1.137 370 L CA 0.836 55.759 54.840 0.138 0.000 0.915 370 L CB 0.444 42.571 42.059 0.115 0.000 1.232 370 L HN 0.743 nan 8.230 nan 0.000 0.473 371 S N 2.935 118.706 115.700 0.119 0.000 2.588 371 S HA 0.412 4.882 4.470 -0.000 0.000 0.269 371 S C -0.461 174.200 174.600 0.102 0.000 1.157 371 S CA -0.871 57.393 58.200 0.107 0.000 0.824 371 S CB 1.610 64.872 63.200 0.103 0.000 1.126 371 S HN 0.771 nan 8.310 nan 0.000 0.464 372 N N 1.080 119.841 118.700 0.102 0.000 2.377 372 N HA 0.146 4.886 4.740 -0.000 0.000 0.259 372 N C -0.099 175.514 175.510 0.171 0.000 1.332 372 N CA -0.226 52.893 53.050 0.115 0.000 0.877 372 N CB -0.003 38.533 38.487 0.082 0.000 1.299 372 N HN 0.869 nan 8.380 nan 0.000 0.501 373 H N 0.743 119.834 119.070 0.035 0.000 2.936 373 H HA -0.152 4.404 4.556 -0.000 0.000 0.276 373 H C 1.118 176.434 175.328 -0.020 0.000 1.216 373 H CA 1.294 57.351 56.048 0.014 0.000 1.132 373 H CB -1.325 28.449 29.762 0.019 0.000 1.303 373 H HN 0.708 nan 8.280 nan 0.000 0.370 374 G N -0.966 107.870 108.800 0.060 0.000 2.176 374 G HA2 0.004 3.964 3.960 -0.000 0.000 0.252 374 G HA3 0.004 3.964 3.960 -0.000 0.000 0.252 374 G C 1.390 176.307 174.900 0.028 0.000 1.024 374 G CA 1.076 46.195 45.100 0.032 0.000 0.755 374 G HN 1.776 nan 8.290 nan 0.000 0.507 375 G N -1.040 107.801 108.800 0.069 0.000 2.176 375 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.252 375 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.252 375 G C 0.855 175.745 174.900 -0.016 0.000 1.024 375 G CA 1.095 46.225 45.100 0.051 0.000 0.755 375 G HN 1.108 nan 8.290 nan 0.000 0.507 376 R N -1.176 119.321 120.500 -0.004 0.000 2.362 376 R HA 0.204 4.544 4.340 -0.000 0.000 0.227 376 R C 1.644 177.892 176.300 -0.085 0.000 0.905 376 R CA 0.279 56.344 56.100 -0.060 0.000 1.067 376 R CB 0.161 30.444 30.300 -0.028 0.000 1.078 376 R HN 0.387 nan 8.270 nan 0.000 0.516 377 Q N 0.416 120.188 119.800 -0.047 0.000 2.729 377 Q HA 0.243 4.583 4.340 -0.000 0.000 0.228 377 Q C 0.372 176.363 176.000 -0.015 0.000 1.021 377 Q CA -0.262 55.503 55.803 -0.064 0.000 0.561 377 Q CB -0.183 28.513 28.738 -0.070 0.000 3.921 377 Q HN 0.111 nan 8.270 nan 0.000 0.430 378 L N 3.135 124.366 121.223 0.014 0.000 2.313 378 L HA 0.152 4.492 4.340 -0.000 0.000 0.282 378 L C -0.532 176.365 176.870 0.044 0.000 1.092 378 L CA -0.116 54.747 54.840 0.038 0.000 0.831 378 L CB 0.650 42.741 42.059 0.053 0.000 1.159 378 L HN 0.317 nan 8.230 nan 0.000 0.442 379 D N 3.760 124.195 120.400 0.058 0.000 2.302 379 D HA 0.204 4.844 4.640 -0.000 0.000 0.248 379 D C -0.060 176.314 176.300 0.124 0.000 1.094 379 D CA 0.322 54.335 54.000 0.021 0.000 0.897 379 D CB 0.636 41.455 40.800 0.032 0.000 1.200 379 D HN 0.427 nan 8.370 nan 0.000 0.429 380 F N 0.053 120.021 119.950 0.031 0.000 2.852 380 F HA -0.221 4.306 4.527 -0.000 0.000 0.289 380 F C 0.356 176.171 175.800 0.026 0.000 0.780 380 F CA 0.321 58.337 58.000 0.026 0.000 1.431 380 F CB -1.638 37.375 39.000 0.021 0.000 1.567 380 F HN 0.157 nan 8.300 nan 0.000 0.437 381 S N 0.116 115.865 115.700 0.081 0.000 2.541 381 S HA 0.762 5.232 4.470 -0.000 0.000 0.283 381 S C 0.560 175.188 174.600 0.047 0.000 1.196 381 S CA -0.638 57.607 58.200 0.075 0.000 1.062 381 S CB 0.968 64.203 63.200 0.059 0.000 1.009 381 S HN 0.287 nan 8.310 nan 0.000 0.502 382 R N 1.762 122.293 120.500 0.053 0.000 2.827 382 R HA 0.425 4.764 4.340 -0.000 0.000 0.269 382 R C 0.284 176.587 176.300 0.006 0.000 1.048 382 R CA 0.196 56.314 56.100 0.029 0.000 1.173 382 R CB 0.175 30.494 30.300 0.031 0.000 1.070 382 R HN 0.695 nan 8.270 nan 0.000 0.498 383 A N 3.145 125.950 122.820 -0.025 0.000 2.450 383 A HA 0.213 4.532 4.320 -0.000 0.000 0.255 383 A C -1.667 175.884 177.584 -0.055 0.000 1.096 383 A CA -1.338 50.666 52.037 -0.056 0.000 0.778 383 A CB 0.181 19.110 19.000 -0.119 0.000 1.031 383 A HN 0.551 nan 8.150 nan 0.000 0.494 384 P HA -0.215 nan 4.420 nan 0.000 0.217 384 P C 1.408 178.689 177.300 -0.031 0.000 1.151 384 P CA 1.061 64.164 63.100 0.005 0.000 0.849 384 P CB 0.083 31.816 31.700 0.054 0.000 0.787 385 I N -0.244 120.240 120.570 -0.143 0.000 2.361 385 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 385 I C 2.053 178.102 176.117 -0.113 0.000 1.133 385 I CA 1.635 62.827 61.300 -0.179 0.000 1.413 385 I CB -0.643 37.025 38.000 -0.553 0.000 1.073 385 I HN -0.065 nan 8.210 nan 0.000 0.424 386 E N -0.359 119.772 120.200 -0.115 0.000 2.152 386 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 386 E C 2.125 178.713 176.600 -0.020 0.000 0.983 386 E CA 1.229 57.592 56.400 -0.061 0.000 0.818 386 E CB 0.151 29.818 29.700 -0.054 0.000 0.758 386 E HN 0.419 nan 8.360 nan 0.000 0.467 387 V N 1.474 121.383 119.914 -0.008 0.000 2.488 387 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 387 V C 2.437 178.545 176.094 0.023 0.000 1.046 387 V CA 0.932 63.242 62.300 0.017 0.000 1.053 387 V CB -0.400 31.443 31.823 0.033 0.000 0.679 387 V HN 0.353 nan 8.190 nan 0.000 0.458 388 L N 0.518 121.754 121.223 0.022 0.000 1.990 388 L HA -0.253 4.087 4.340 -0.000 0.000 0.213 388 L C 2.663 179.549 176.870 0.026 0.000 1.072 388 L CA 2.152 57.012 54.840 0.033 0.000 0.755 388 L CB -0.595 41.490 42.059 0.043 0.000 0.889 388 L HN 0.383 nan 8.230 nan 0.000 0.432 389 A N -0.897 121.934 122.820 0.018 0.000 2.032 389 A HA -0.296 4.024 4.320 -0.000 0.000 0.221 389 A C 2.179 179.774 177.584 0.018 0.000 1.165 389 A CA 2.110 54.158 52.037 0.020 0.000 0.645 389 A CB -0.523 18.485 19.000 0.012 0.000 0.807 389 A HN 0.657 nan 8.150 nan 0.000 0.453 390 E N -1.150 119.061 120.200 0.017 0.000 2.102 390 E HA -0.083 4.266 4.350 -0.000 0.000 0.190 390 E C 1.879 178.490 176.600 0.019 0.000 0.971 390 E CA 1.194 57.604 56.400 0.017 0.000 0.821 390 E CB -0.001 29.709 29.700 0.018 0.000 0.777 390 E HN 0.534 nan 8.360 nan 0.000 0.460 391 T N 1.798 116.365 114.554 0.022 0.000 2.612 391 T HA -0.164 4.186 4.350 -0.000 0.000 0.259 391 T C 1.881 176.592 174.700 0.017 0.000 1.065 391 T CA 1.613 63.727 62.100 0.023 0.000 1.167 391 T CB -0.204 68.682 68.868 0.030 0.000 0.863 391 T HN 0.130 nan 8.240 nan 0.000 0.407 392 M N 0.878 120.489 119.600 0.017 0.000 2.190 392 M HA -0.130 4.350 4.480 -0.000 0.000 0.252 392 M C -0.609 175.697 176.300 0.011 0.000 1.076 392 M CA 1.932 57.240 55.300 0.012 0.000 1.079 392 M CB -2.817 29.792 32.600 0.015 0.000 1.303 392 M HN 0.177 nan 8.290 nan 0.000 0.412 393 P HA -0.087 nan 4.420 nan 0.000 0.216 393 P C 1.874 179.179 177.300 0.008 0.000 1.150 393 P CA 1.180 64.287 63.100 0.011 0.000 0.837 393 P CB -0.127 31.581 31.700 0.013 0.000 0.786 394 I N -1.517 119.057 120.570 0.008 0.000 2.286 394 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 394 I C 2.178 178.296 176.117 0.001 0.000 1.104 394 I CA 1.153 62.455 61.300 0.004 0.000 1.397 394 I CB -0.590 37.413 38.000 0.005 0.000 1.072 394 I HN -0.117 nan 8.210 nan 0.000 0.417 395 L N 0.329 121.553 121.223 0.002 0.000 2.191 395 L HA -0.189 4.150 4.340 -0.000 0.000 0.212 395 L C 2.326 179.195 176.870 -0.002 0.000 1.103 395 L CA 1.382 56.222 54.840 -0.001 0.000 0.769 395 L CB -0.571 41.487 42.059 -0.001 0.000 0.908 395 L HN 0.332 nan 8.230 nan 0.000 0.438 396 E N 0.169 120.370 120.200 0.000 0.000 2.158 396 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 396 E C 1.663 178.264 176.600 0.000 0.000 0.982 396 E CA 0.641 57.041 56.400 0.001 0.000 0.823 396 E CB 0.055 29.757 29.700 0.004 0.000 0.766 396 E HN 0.606 nan 8.360 nan 0.000 0.468 397 Q N 0.486 120.286 119.800 0.000 0.000 2.291 397 Q HA 0.070 4.409 4.340 -0.000 0.000 0.211 397 Q C 0.835 176.833 176.000 -0.003 0.000 0.925 397 Q CA 0.296 56.099 55.803 -0.001 0.000 0.949 397 Q CB 0.264 29.003 28.738 0.000 0.000 1.015 397 Q HN 0.049 nan 8.270 nan 0.000 0.477 398 R N -0.589 119.909 120.500 -0.005 0.000 2.504 398 R HA 0.184 4.524 4.340 -0.000 0.000 0.341 398 R C -0.085 176.210 176.300 -0.008 0.000 0.905 398 R CA 0.049 56.144 56.100 -0.008 0.000 1.133 398 R CB 0.462 30.756 30.300 -0.010 0.000 1.704 398 R HN 0.218 nan 8.270 nan 0.000 0.503 399 N N 0.519 119.216 118.700 -0.006 0.000 2.927 399 N HA -0.233 4.506 4.740 -0.000 0.000 0.215 399 N C 1.092 176.598 175.510 -0.007 0.000 0.868 399 N CA 1.688 54.734 53.050 -0.006 0.000 1.075 399 N CB -1.309 37.175 38.487 -0.006 0.000 0.989 399 N HN 0.198 nan 8.380 nan 0.000 0.609 400 L N 1.261 122.479 121.223 -0.009 0.000 2.357 400 L HA -0.215 4.125 4.340 -0.000 0.000 0.220 400 L C 2.443 179.306 176.870 -0.011 0.000 1.123 400 L CA 1.813 56.647 54.840 -0.010 0.000 0.782 400 L CB -0.603 41.450 42.059 -0.011 0.000 0.910 400 L HN 0.221 nan 8.230 nan 0.000 0.442 401 K N 1.147 121.541 120.400 -0.010 0.000 2.077 401 K HA -0.250 4.070 4.320 -0.000 0.000 0.213 401 K C 1.521 178.109 176.600 -0.020 0.000 1.051 401 K CA 2.242 58.521 56.287 -0.014 0.000 0.929 401 K CB -0.310 32.185 32.500 -0.009 0.000 0.715 401 K HN 0.416 nan 8.250 nan 0.000 0.451 402 D N -0.608 119.783 120.400 -0.015 0.000 2.305 402 D HA -0.022 4.617 4.640 -0.000 0.000 0.206 402 D C 1.142 177.432 176.300 -0.015 0.000 0.974 402 D CA 0.597 54.588 54.000 -0.015 0.000 0.871 402 D CB 0.151 40.946 40.800 -0.008 0.000 0.947 402 D HN 0.347 nan 8.370 nan 0.000 0.516 403 K N 0.217 120.609 120.400 -0.014 0.000 2.487 403 K HA 0.198 4.518 4.320 -0.000 0.000 0.192 403 K C 0.548 177.140 176.600 -0.014 0.000 1.027 403 K CA 0.170 56.450 56.287 -0.012 0.000 1.054 403 K CB 1.125 33.619 32.500 -0.010 0.000 0.824 403 K HN 0.022 nan 8.250 nan 0.000 0.510 404 L N 1.288 122.499 121.223 -0.020 0.000 2.476 404 L HA 0.241 4.581 4.340 -0.000 0.000 0.269 404 L C -1.334 175.505 176.870 -0.052 0.000 0.965 404 L CA -0.499 54.328 54.840 -0.021 0.000 0.845 404 L CB 2.052 44.106 42.059 -0.007 0.000 1.259 404 L HN 0.010 nan 8.230 nan 0.000 0.403 405 E N 4.094 124.254 120.200 -0.066 0.000 2.052 405 E HA 0.223 4.573 4.350 -0.000 0.000 0.283 405 E C -0.853 175.586 176.600 -0.268 0.000 1.071 405 E CA -0.414 55.867 56.400 -0.198 0.000 0.851 405 E CB 1.740 31.333 29.700 -0.178 0.000 1.066 405 E HN 0.273 nan 8.360 nan 0.000 0.396 406 V N 5.582 125.326 119.914 -0.283 0.000 2.385 406 V HA 0.212 4.332 4.120 -0.000 0.000 0.269 406 V C -0.150 175.768 176.094 -0.293 0.000 1.043 406 V CA -0.148 62.058 62.300 -0.156 0.000 0.906 406 V CB -0.302 31.491 31.823 -0.051 0.000 0.995 406 V HN 0.469 nan 8.190 nan 0.000 0.467 407 F N 3.674 123.690 119.950 0.111 0.000 2.461 407 F HA 0.794 5.321 4.527 -0.000 0.000 0.332 407 F C 0.223 176.135 175.800 0.187 0.000 1.073 407 F CA -0.806 57.309 58.000 0.192 0.000 1.017 407 F CB 1.794 40.948 39.000 0.257 0.000 1.301 407 F HN 0.255 nan 8.300 nan 0.000 0.492 408 V N 1.296 121.457 119.914 0.411 0.000 2.852 408 V HA 0.434 4.553 4.120 -0.000 0.000 0.300 408 V C -1.837 174.406 176.094 0.249 0.000 1.205 408 V CA -0.407 62.058 62.300 0.275 0.000 0.940 408 V CB 1.783 33.732 31.823 0.209 0.000 1.047 408 V HN 0.904 nan 8.190 nan 0.000 0.429 409 D N 4.027 124.541 120.400 0.190 0.000 2.636 409 D HA 0.840 5.480 4.640 -0.000 0.000 0.275 409 D C -0.059 176.315 176.300 0.123 0.000 1.130 409 D CA -0.014 54.062 54.000 0.126 0.000 1.031 409 D CB 1.768 42.602 40.800 0.057 0.000 1.451 409 D HN 1.722 nan 8.370 nan 0.000 0.505 410 G N -1.861 106.997 108.800 0.097 0.000 3.322 410 G HA2 0.440 4.399 3.960 -0.000 0.000 0.686 410 G HA3 0.440 4.399 3.960 -0.000 0.000 0.686 410 G C 0.773 175.797 174.900 0.207 0.000 1.015 410 G CA 0.365 45.537 45.100 0.121 0.000 0.826 410 G HN 1.842 nan 8.290 nan 0.000 0.538 411 G N -0.769 108.146 108.800 0.191 0.000 2.155 411 G HA2 0.029 3.989 3.960 -0.000 0.000 0.257 411 G HA3 0.029 3.989 3.960 -0.000 0.000 0.257 411 G C 0.561 175.646 174.900 0.307 0.000 0.983 411 G CA 0.770 46.028 45.100 0.264 0.000 0.676 411 G HN 1.959 nan 8.290 nan 0.000 0.528 412 V N 1.259 121.242 119.914 0.116 0.000 2.368 412 V HA 0.492 4.612 4.120 -0.000 0.000 0.266 412 V C 1.173 177.171 176.094 -0.161 0.000 1.045 412 V CA -0.305 61.944 62.300 -0.085 0.000 0.899 412 V CB 1.280 33.025 31.823 -0.131 0.000 1.006 412 V HN 0.323 nan 8.190 nan 0.000 0.470 413 R N 3.536 123.939 120.500 -0.162 0.000 2.469 413 R HA 0.373 4.713 4.340 -0.000 0.000 0.250 413 R C 0.431 176.543 176.300 -0.312 0.000 0.909 413 R CA -0.013 55.892 56.100 -0.326 0.000 1.050 413 R CB 0.860 30.863 30.300 -0.495 0.000 1.256 413 R HN 0.515 nan 8.270 nan 0.000 0.550 414 R N -1.186 119.199 120.500 -0.192 0.000 2.808 414 R HA 0.376 4.716 4.340 -0.000 0.000 0.272 414 R C 0.817 177.024 176.300 -0.153 0.000 0.995 414 R CA -0.292 55.718 56.100 -0.150 0.000 0.917 414 R CB 1.383 31.660 30.300 -0.038 0.000 1.217 414 R HN 0.007 nan 8.270 nan 0.000 0.471 415 G N -0.021 108.710 108.800 -0.115 0.000 2.450 415 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 415 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 415 G C 1.207 176.091 174.900 -0.027 0.000 1.130 415 G CA 1.611 46.664 45.100 -0.078 0.000 0.760 415 G HN 0.690 nan 8.290 nan 0.000 0.557 416 T N -0.519 114.040 114.554 0.008 0.000 2.915 416 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 416 T C 1.728 176.463 174.700 0.058 0.000 1.071 416 T CA 1.446 63.625 62.100 0.132 0.000 1.132 416 T CB -0.130 68.844 68.868 0.176 0.000 0.878 416 T HN 0.162 nan 8.240 nan 0.000 0.479 417 D N 1.391 121.699 120.400 -0.153 0.000 2.084 417 D HA -0.026 4.613 4.640 -0.000 0.000 0.196 417 D C 2.417 178.547 176.300 -0.283 0.000 0.985 417 D CA 0.793 54.505 54.000 -0.480 0.000 0.826 417 D CB -0.526 39.803 40.800 -0.784 0.000 0.978 417 D HN 0.281 nan 8.370 nan 0.000 0.456 418 V N 1.489 121.310 119.914 -0.156 0.000 2.332 418 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 418 V C 2.662 178.799 176.094 0.071 0.000 1.055 418 V CA 1.182 63.471 62.300 -0.018 0.000 1.038 418 V CB -0.541 31.283 31.823 0.001 0.000 0.651 418 V HN 0.195 nan 8.190 nan 0.000 0.450 419 L N -0.711 120.561 121.223 0.083 0.000 2.141 419 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 419 L C 2.562 179.554 176.870 0.203 0.000 1.094 419 L CA 1.562 56.473 54.840 0.118 0.000 0.763 419 L CB -0.523 41.580 42.059 0.074 0.000 0.908 419 L HN 0.310 nan 8.230 nan 0.000 0.437 420 K N 0.002 120.560 120.400 0.262 0.000 2.062 420 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 420 K C 2.285 179.025 176.600 0.232 0.000 1.051 420 K CA 1.212 57.668 56.287 0.283 0.000 0.941 420 K CB -0.229 32.427 32.500 0.261 0.000 0.719 420 K HN 0.240 nan 8.250 nan 0.000 0.440 421 A N 1.499 124.470 122.820 0.252 0.000 1.877 421 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 421 A C 2.130 179.804 177.584 0.151 0.000 1.186 421 A CA 1.286 53.458 52.037 0.225 0.000 0.620 421 A CB -0.745 18.412 19.000 0.261 0.000 0.822 421 A HN 0.159 nan 8.150 nan 0.000 0.443 422 L N -0.909 120.396 121.223 0.138 0.000 2.131 422 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 422 L C 2.625 179.547 176.870 0.086 0.000 1.092 422 L CA 1.072 55.973 54.840 0.102 0.000 0.759 422 L CB -0.567 41.550 42.059 0.097 0.000 0.903 422 L HN 0.505 nan 8.230 nan 0.000 0.435 423 C N -0.453 118.911 119.300 0.107 0.000 2.450 423 C HA -0.074 4.386 4.460 -0.000 0.000 0.279 423 C C 2.622 177.663 174.990 0.085 0.000 1.335 423 C CA 0.324 59.401 59.018 0.098 0.000 1.749 423 C CB -0.571 27.252 27.740 0.137 0.000 1.963 423 C HN 0.436 nan 8.230 nan 0.000 0.501 424 L N -0.102 121.177 121.223 0.093 0.000 2.313 424 L HA 0.145 4.485 4.340 -0.000 0.000 0.214 424 L C 2.060 178.959 176.870 0.050 0.000 1.119 424 L CA 1.487 56.370 54.840 0.071 0.000 0.809 424 L CB -0.319 41.786 42.059 0.075 0.000 0.933 424 L HN 0.591 nan 8.230 nan 0.000 0.449 425 G N -1.312 107.515 108.800 0.046 0.000 2.672 425 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.197 425 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.197 425 G C 0.395 175.293 174.900 -0.004 0.000 0.995 425 G CA -0.204 44.907 45.100 0.019 0.000 0.754 425 G HN 0.336 nan 8.290 nan 0.000 0.505 426 A N 0.547 123.378 122.820 0.019 0.000 2.565 426 A HA 0.536 4.856 4.320 -0.000 0.000 0.237 426 A C 1.343 178.896 177.584 -0.051 0.000 1.053 426 A CA 1.605 53.638 52.037 -0.007 0.000 0.755 426 A CB 0.535 19.585 19.000 0.085 0.000 0.980 426 A HN 0.398 nan 8.150 nan 0.000 0.506 427 K N 1.311 121.580 120.400 -0.219 0.000 2.167 427 K HA 0.169 4.488 4.320 -0.000 0.000 0.203 427 K C 0.750 177.344 176.600 -0.010 0.000 1.052 427 K CA 1.458 57.606 56.287 -0.232 0.000 0.956 427 K CB 0.033 32.175 32.500 -0.597 0.000 0.735 427 K HN 1.006 nan 8.250 nan 0.000 0.451 428 G N -1.266 107.608 108.800 0.122 0.000 2.698 428 G HA2 0.505 4.465 3.960 -0.000 0.000 0.293 428 G HA3 0.505 4.465 3.960 -0.000 0.000 0.293 428 G C -1.850 173.379 174.900 0.548 0.000 1.437 428 G CA -0.672 44.711 45.100 0.473 0.000 0.852 428 G HN -0.090 nan 8.290 nan 0.000 0.499 429 V N 0.012 120.198 119.914 0.454 0.000 2.604 429 V HA 0.858 4.977 4.120 -0.000 0.000 0.305 429 V C 0.697 176.786 176.094 -0.008 0.000 1.043 429 V CA -0.213 62.252 62.300 0.275 0.000 0.888 429 V CB 1.746 33.680 31.823 0.186 0.000 0.995 429 V HN 1.151 nan 8.190 nan 0.000 0.429 430 G N 3.469 112.108 108.800 -0.269 0.000 2.420 430 G HA2 0.736 4.696 3.960 -0.000 0.000 0.331 430 G HA3 0.736 4.696 3.960 -0.000 0.000 0.331 430 G C -1.488 173.234 174.900 -0.297 0.000 1.168 430 G CA -0.511 44.102 45.100 -0.812 0.000 0.936 430 G HN 0.453 nan 8.290 nan 0.000 0.479 431 L N 0.863 121.967 121.223 -0.198 0.000 2.354 431 L HA 0.742 5.082 4.340 -0.000 0.000 0.269 431 L C 1.063 177.919 176.870 -0.022 0.000 1.005 431 L CA -0.206 54.582 54.840 -0.086 0.000 0.819 431 L CB 2.192 44.166 42.059 -0.142 0.000 1.311 431 L HN 0.694 nan 8.230 nan 0.000 0.423 432 G N 0.220 108.966 108.800 -0.090 0.000 2.621 432 G HA2 0.085 4.045 3.960 -0.000 0.000 0.209 432 G HA3 0.085 4.045 3.960 -0.000 0.000 0.209 432 G C 1.289 176.062 174.900 -0.212 0.000 1.379 432 G CA -0.095 44.933 45.100 -0.120 0.000 0.766 432 G HN 0.479 nan 8.290 nan 0.000 0.599 433 R N 0.930 121.258 120.500 -0.287 0.000 2.105 433 R HA -0.063 4.277 4.340 -0.000 0.000 0.239 433 R C -0.319 175.685 176.300 -0.492 0.000 1.135 433 R CA 1.879 57.668 56.100 -0.518 0.000 0.967 433 R CB -0.823 29.245 30.300 -0.386 0.000 0.861 433 R HN 0.313 nan 8.270 nan 0.000 0.442 434 P HA -0.153 nan 4.420 nan 0.000 0.215 434 P C 0.724 177.828 177.300 -0.327 0.000 1.157 434 P CA 1.371 64.323 63.100 -0.245 0.000 0.868 434 P CB -0.018 31.396 31.700 -0.478 0.000 0.788 435 F N -1.449 118.386 119.950 -0.192 0.000 2.325 435 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 435 F C 2.339 177.984 175.800 -0.258 0.000 1.090 435 F CA 0.763 58.633 58.000 -0.217 0.000 1.392 435 F CB -1.308 37.591 39.000 -0.168 0.000 1.053 435 F HN -0.160 nan 8.300 nan 0.000 0.521 436 L N -1.312 119.793 121.223 -0.197 0.000 2.027 436 L HA -0.264 4.075 4.340 -0.000 0.000 0.206 436 L C 2.343 179.046 176.870 -0.278 0.000 1.074 436 L CA 1.510 56.122 54.840 -0.380 0.000 0.745 436 L CB -0.427 41.207 42.059 -0.709 0.000 0.898 436 L HN 0.095 nan 8.230 nan 0.000 0.433 437 Y N -0.474 119.777 120.300 -0.083 0.000 2.293 437 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 437 Y C 2.561 178.446 175.900 -0.025 0.000 1.137 437 Y CA 0.652 58.779 58.100 0.045 0.000 1.202 437 Y CB -1.100 37.454 38.460 0.157 0.000 0.990 437 Y HN 0.204 nan 8.280 nan 0.000 0.537 438 A N 0.357 123.105 122.820 -0.120 0.000 1.877 438 A HA -0.266 4.054 4.320 -0.000 0.000 0.216 438 A C 2.164 179.648 177.584 -0.165 0.000 1.186 438 A CA 2.094 53.793 52.037 -0.564 0.000 0.620 438 A CB -1.010 17.456 19.000 -0.889 0.000 0.822 438 A HN 0.495 nan 8.150 nan 0.000 0.443 439 N N -0.057 118.594 118.700 -0.081 0.000 2.188 439 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 439 N C 1.546 177.082 175.510 0.043 0.000 1.018 439 N CA 1.622 54.665 53.050 -0.012 0.000 0.858 439 N CB -0.160 38.310 38.487 -0.029 0.000 0.989 439 N HN 0.322 nan 8.380 nan 0.000 0.426 440 S N -1.461 114.289 115.700 0.083 0.000 2.561 440 S HA 0.025 4.495 4.470 -0.000 0.000 0.225 440 S C 1.513 176.175 174.600 0.104 0.000 0.977 440 S CA 0.261 58.550 58.200 0.147 0.000 0.926 440 S CB -0.033 63.343 63.200 0.294 0.000 0.769 440 S HN 0.511 nan 8.310 nan 0.000 0.533 441 C N -1.168 118.184 119.300 0.087 0.000 2.426 441 C HA 0.324 4.783 4.460 -0.000 0.000 0.436 441 C C 1.283 176.119 174.990 -0.257 0.000 1.380 441 C CA -0.216 58.774 59.018 -0.047 0.000 2.446 441 C CB -0.566 27.250 27.740 0.126 0.000 2.794 441 C HN 0.626 nan 8.230 nan 0.000 0.559 442 Y N 1.032 121.360 120.300 0.046 0.000 2.500 442 Y HA 0.422 4.972 4.550 -0.000 0.000 0.246 442 Y C 1.614 177.522 175.900 0.014 0.000 1.146 442 Y CA 0.589 58.717 58.100 0.047 0.000 1.230 442 Y CB -0.354 38.164 38.460 0.098 0.000 1.214 442 Y HN 0.439 nan 8.280 nan 0.000 0.526 443 G N 1.924 110.786 108.800 0.104 0.000 2.564 443 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.273 443 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.273 443 G C 1.318 176.245 174.900 0.044 0.000 1.242 443 G CA 0.585 45.719 45.100 0.057 0.000 0.951 443 G HN 0.457 nan 8.290 nan 0.000 0.564 444 R N -0.007 120.510 120.500 0.030 0.000 2.119 444 R HA -0.183 4.157 4.340 -0.000 0.000 0.246 444 R C 1.983 178.299 176.300 0.026 0.000 1.146 444 R CA 2.262 58.370 56.100 0.013 0.000 0.962 444 R CB -0.724 29.582 30.300 0.009 0.000 0.863 444 R HN 0.488 nan 8.270 nan 0.000 0.442 445 N N 0.694 119.429 118.700 0.058 0.000 2.188 445 N HA -0.070 4.670 4.740 -0.000 0.000 0.184 445 N C 1.977 177.528 175.510 0.069 0.000 1.018 445 N CA 1.533 54.624 53.050 0.069 0.000 0.858 445 N CB -0.607 37.937 38.487 0.095 0.000 0.989 445 N HN 0.512 nan 8.380 nan 0.000 0.426 446 G N 0.961 109.814 108.800 0.088 0.000 2.418 446 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 446 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 446 G C 1.678 176.500 174.900 -0.130 0.000 1.158 446 G CA 0.803 45.888 45.100 -0.025 0.000 0.771 446 G HN 0.192 nan 8.290 nan 0.000 0.545 447 V N 0.592 120.477 119.914 -0.050 0.000 2.332 447 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 447 V C 2.563 178.704 176.094 0.078 0.000 1.055 447 V CA 2.221 64.534 62.300 0.022 0.000 1.038 447 V CB -0.383 31.428 31.823 -0.021 0.000 0.651 447 V HN 0.528 nan 8.190 nan 0.000 0.450 448 E N 0.151 120.380 120.200 0.049 0.000 2.106 448 E HA -0.275 4.075 4.350 -0.000 0.000 0.192 448 E C 2.226 178.893 176.600 0.110 0.000 0.984 448 E CA 1.283 57.723 56.400 0.066 0.000 0.806 448 E CB 0.031 29.754 29.700 0.039 0.000 0.750 448 E HN 0.437 nan 8.360 nan 0.000 0.458 449 K N 0.905 121.374 120.400 0.116 0.000 2.026 449 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 449 K C 1.784 178.526 176.600 0.237 0.000 1.048 449 K CA 1.568 57.952 56.287 0.162 0.000 0.929 449 K CB -0.569 32.055 32.500 0.207 0.000 0.713 449 K HN 0.138 nan 8.250 nan 0.000 0.439 450 A N 0.744 123.729 122.820 0.276 0.000 1.908 450 A HA -0.133 4.186 4.320 -0.000 0.000 0.218 450 A C 2.302 180.061 177.584 0.293 0.000 1.181 450 A CA 1.836 54.046 52.037 0.289 0.000 0.627 450 A CB -0.725 18.326 19.000 0.084 0.000 0.818 450 A HN 0.369 nan 8.150 nan 0.000 0.445 451 I N -0.530 120.277 120.570 0.395 0.000 2.179 451 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 451 I C 2.565 178.873 176.117 0.318 0.000 1.088 451 I CA 1.775 63.347 61.300 0.452 0.000 1.357 451 I CB -0.513 37.655 38.000 0.280 0.000 1.051 451 I HN 0.449 nan 8.210 nan 0.000 0.409 452 E N 0.927 121.243 120.200 0.195 0.000 2.058 452 E HA -0.223 4.126 4.350 -0.000 0.000 0.194 452 E C 2.293 178.955 176.600 0.105 0.000 0.997 452 E CA 1.392 57.871 56.400 0.132 0.000 0.801 452 E CB -0.130 29.623 29.700 0.088 0.000 0.746 452 E HN 0.455 nan 8.360 nan 0.000 0.450 453 I N 0.735 121.356 120.570 0.085 0.000 2.069 453 I HA -0.303 3.866 4.170 -0.000 0.000 0.237 453 I C 2.521 178.629 176.117 -0.016 0.000 1.053 453 I CA 0.919 62.232 61.300 0.022 0.000 1.311 453 I CB -0.249 37.755 38.000 0.008 0.000 1.030 453 I HN 0.152 nan 8.210 nan 0.000 0.398 454 L N 0.818 122.003 121.223 -0.062 0.000 2.131 454 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 454 L C 2.569 179.418 176.870 -0.035 0.000 1.092 454 L CA 1.665 56.384 54.840 -0.201 0.000 0.759 454 L CB -0.815 40.891 42.059 -0.587 0.000 0.903 454 L HN 0.142 nan 8.230 nan 0.000 0.435 455 R N -0.426 120.170 120.500 0.160 0.000 2.066 455 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 455 R C 1.676 178.046 176.300 0.115 0.000 1.131 455 R CA 1.809 58.056 56.100 0.245 0.000 0.955 455 R CB -0.409 30.038 30.300 0.244 0.000 0.851 455 R HN 0.385 nan 8.270 nan 0.000 0.432 456 D N 0.679 121.121 120.400 0.069 0.000 2.178 456 D HA -0.125 4.515 4.640 -0.000 0.000 0.202 456 D C 1.779 178.089 176.300 0.017 0.000 0.974 456 D CA 1.055 55.077 54.000 0.036 0.000 0.841 456 D CB -0.092 40.722 40.800 0.023 0.000 0.953 456 D HN 0.443 nan 8.370 nan 0.000 0.478 457 E N 0.196 120.397 120.200 0.001 0.000 2.106 457 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 457 E C 2.322 178.917 176.600 -0.008 0.000 0.984 457 E CA 0.415 56.804 56.400 -0.017 0.000 0.806 457 E CB 0.057 29.728 29.700 -0.049 0.000 0.750 457 E HN 0.331 nan 8.360 nan 0.000 0.458 458 I N 1.200 121.778 120.570 0.012 0.000 2.315 458 I HA -0.230 3.939 4.170 -0.000 0.000 0.248 458 I C 2.267 178.393 176.117 0.016 0.000 1.117 458 I CA 1.073 62.389 61.300 0.026 0.000 1.404 458 I CB -0.269 37.784 38.000 0.089 0.000 1.071 458 I HN 0.101 nan 8.210 nan 0.000 0.419 459 E N 0.878 121.094 120.200 0.026 0.000 2.007 459 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 459 E C 2.351 178.947 176.600 -0.006 0.000 0.999 459 E CA 1.416 57.824 56.400 0.014 0.000 0.811 459 E CB -0.152 29.562 29.700 0.023 0.000 0.762 459 E HN 0.403 nan 8.360 nan 0.000 0.450 460 M N 0.666 120.262 119.600 -0.007 0.000 2.082 460 M HA -0.193 4.287 4.480 -0.000 0.000 0.258 460 M C 2.504 178.784 176.300 -0.033 0.000 1.069 460 M CA 1.331 56.622 55.300 -0.015 0.000 1.102 460 M CB -0.337 32.257 32.600 -0.010 0.000 1.336 460 M HN -0.014 nan 8.290 nan 0.000 0.404 461 S N 0.082 115.756 115.700 -0.043 0.000 2.419 461 S HA -0.071 4.399 4.470 -0.000 0.000 0.233 461 S C 1.823 176.342 174.600 -0.136 0.000 1.016 461 S CA 1.045 59.196 58.200 -0.083 0.000 0.974 461 S CB -0.211 62.946 63.200 -0.072 0.000 0.786 461 S HN 0.408 nan 8.310 nan 0.000 0.492 462 M N 0.834 120.375 119.600 -0.097 0.000 2.086 462 M HA -0.100 4.380 4.480 -0.000 0.000 0.261 462 M C 2.353 178.602 176.300 -0.085 0.000 1.067 462 M CA 1.353 56.593 55.300 -0.100 0.000 1.116 462 M CB -0.211 32.358 32.600 -0.051 0.000 1.348 462 M HN 0.206 nan 8.290 nan 0.000 0.407 463 R N -0.066 120.401 120.500 -0.056 0.000 2.083 463 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 463 R C 1.908 178.177 176.300 -0.052 0.000 1.137 463 R CA 1.187 57.262 56.100 -0.042 0.000 0.951 463 R CB -0.563 29.722 30.300 -0.026 0.000 0.851 463 R HN 0.264 nan 8.270 nan 0.000 0.434 464 L N 0.606 121.791 121.223 -0.063 0.000 2.265 464 L HA -0.099 4.240 4.340 -0.000 0.000 0.215 464 L C 2.059 178.874 176.870 -0.092 0.000 1.117 464 L CA 1.354 56.157 54.840 -0.062 0.000 0.782 464 L CB -0.535 41.492 42.059 -0.053 0.000 0.914 464 L HN 0.213 nan 8.230 nan 0.000 0.441 465 L N -1.080 120.056 121.223 -0.146 0.000 2.375 465 L HA 0.132 4.471 4.340 -0.000 0.000 0.215 465 L C 1.251 178.063 176.870 -0.096 0.000 1.108 465 L CA 0.709 55.441 54.840 -0.179 0.000 0.830 465 L CB -0.146 41.734 42.059 -0.299 0.000 0.959 465 L HN 0.506 nan 8.230 nan 0.000 0.457 466 G N 0.771 109.530 108.800 -0.070 0.000 2.164 466 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.212 466 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.212 466 G C -0.103 174.776 174.900 -0.035 0.000 1.031 466 G CA 0.117 45.193 45.100 -0.040 0.000 0.730 466 G HN 0.256 nan 8.290 nan 0.000 0.501 467 V N -3.219 116.669 119.914 -0.043 0.000 2.962 467 V HA 0.951 5.071 4.120 -0.000 0.000 0.313 467 V C 0.682 176.762 176.094 -0.022 0.000 1.099 467 V CA 0.312 62.594 62.300 -0.030 0.000 0.971 467 V CB 1.791 33.594 31.823 -0.034 0.000 1.028 467 V HN 0.981 nan 8.190 nan 0.000 0.430 468 T N -1.808 112.740 114.554 -0.010 0.000 3.040 468 T HA 0.445 4.795 4.350 -0.000 0.000 0.266 468 T C 0.496 175.199 174.700 0.005 0.000 1.005 468 T CA 0.478 62.576 62.100 -0.003 0.000 0.906 468 T CB -0.354 68.514 68.868 0.001 0.000 1.082 468 T HN 1.611 nan 8.240 nan 0.000 0.531 469 S N -0.147 115.557 115.700 0.006 0.000 2.596 469 S HA 0.602 5.072 4.470 -0.000 0.000 0.270 469 S C 0.412 175.022 174.600 0.016 0.000 1.155 469 S CA -0.964 57.246 58.200 0.016 0.000 0.827 469 S CB 0.861 64.073 63.200 0.020 0.000 1.130 469 S HN -0.106 nan 8.310 nan 0.000 0.467 470 I N 1.200 121.785 120.570 0.025 0.000 2.361 470 I HA -0.069 4.100 4.170 -0.000 0.000 0.251 470 I C 2.808 178.940 176.117 0.026 0.000 1.133 470 I CA 1.859 63.176 61.300 0.029 0.000 1.413 470 I CB -2.003 36.019 38.000 0.036 0.000 1.073 470 I HN 0.897 nan 8.210 nan 0.000 0.424 471 A N 0.547 123.382 122.820 0.025 0.000 1.972 471 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 471 A C 2.127 179.722 177.584 0.018 0.000 1.169 471 A CA 1.233 53.283 52.037 0.022 0.000 0.635 471 A CB -0.582 18.432 19.000 0.023 0.000 0.810 471 A HN 0.472 nan 8.150 nan 0.000 0.446 472 E N -0.432 119.776 120.200 0.014 0.000 2.478 472 E HA 0.041 4.391 4.350 -0.000 0.000 0.198 472 E C -0.303 176.302 176.600 0.007 0.000 1.046 472 E CA -0.160 56.246 56.400 0.009 0.000 0.870 472 E CB -0.168 29.534 29.700 0.004 0.000 0.818 472 E HN 0.533 nan 8.360 nan 0.000 0.527 473 L N 2.571 123.801 121.223 0.011 0.000 2.462 473 L HA 0.110 4.449 4.340 -0.000 0.000 0.283 473 L C 0.247 177.134 176.870 0.029 0.000 1.166 473 L CA 0.288 55.136 54.840 0.015 0.000 0.964 473 L CB 0.013 42.085 42.059 0.022 0.000 1.294 473 L HN -0.072 nan 8.230 nan 0.000 0.449 474 K N 4.201 124.619 120.400 0.030 0.000 2.306 474 K HA 0.435 4.755 4.320 -0.000 0.000 0.236 474 K C -1.671 174.961 176.600 0.054 0.000 1.013 474 K CA -1.704 54.606 56.287 0.037 0.000 0.857 474 K CB 1.709 34.226 32.500 0.029 0.000 1.214 474 K HN 0.054 nan 8.250 nan 0.000 0.449 475 P HA -0.181 nan 4.420 nan 0.000 0.226 475 P C 0.498 177.841 177.300 0.071 0.000 1.153 475 P CA 1.295 64.436 63.100 0.069 0.000 0.777 475 P CB 0.105 31.838 31.700 0.056 0.000 0.794 476 D N 0.163 120.596 120.400 0.055 0.000 2.351 476 D HA -0.130 4.510 4.640 -0.000 0.000 0.216 476 D C 1.254 177.594 176.300 0.066 0.000 0.968 476 D CA 0.565 54.597 54.000 0.053 0.000 0.899 476 D CB -0.381 40.442 40.800 0.038 0.000 0.907 476 D HN 0.136 nan 8.370 nan 0.000 0.514 477 L N 0.235 121.505 121.223 0.078 0.000 2.611 477 L HA 0.287 4.627 4.340 -0.000 0.000 0.229 477 L C 0.461 177.446 176.870 0.193 0.000 1.137 477 L CA 0.250 55.147 54.840 0.096 0.000 0.901 477 L CB -0.007 42.080 42.059 0.047 0.000 1.098 477 L HN 0.059 nan 8.230 nan 0.000 0.456 478 L N -1.004 120.323 121.223 0.173 0.000 2.342 478 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 478 L C -0.735 176.217 176.870 0.137 0.000 1.008 478 L CA -0.798 54.160 54.840 0.197 0.000 0.818 478 L CB 2.106 44.262 42.059 0.163 0.000 1.296 478 L HN -0.158 nan 8.230 nan 0.000 0.427 479 D N 2.476 122.956 120.400 0.134 0.000 2.454 479 D HA 0.333 4.973 4.640 -0.000 0.000 0.225 479 D C 0.011 176.361 176.300 0.083 0.000 1.081 479 D CA -0.190 53.871 54.000 0.102 0.000 0.864 479 D CB 0.874 41.743 40.800 0.115 0.000 1.040 479 D HN 0.367 nan 8.370 nan 0.000 0.517 480 L N 2.899 124.159 121.223 0.061 0.000 2.791 480 L HA 0.128 4.468 4.340 -0.000 0.000 0.239 480 L C 1.830 178.720 176.870 0.032 0.000 1.203 480 L CA -0.127 54.741 54.840 0.047 0.000 1.002 480 L CB -0.043 42.042 42.059 0.043 0.000 1.295 480 L HN 0.374 nan 8.230 nan 0.000 0.504 481 S N -1.750 113.967 115.700 0.027 0.000 2.481 481 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 481 S C 1.519 176.121 174.600 0.004 0.000 0.996 481 S CA 1.046 59.252 58.200 0.011 0.000 0.942 481 S CB -0.426 62.774 63.200 0.000 0.000 0.768 481 S HN 0.515 nan 8.310 nan 0.000 0.520 482 T N -1.558 113.003 114.554 0.011 0.000 3.252 482 T HA 0.373 4.723 4.350 -0.000 0.000 0.286 482 T C 1.103 175.817 174.700 0.023 0.000 1.013 482 T CA -0.489 61.617 62.100 0.009 0.000 0.914 482 T CB 0.087 68.952 68.868 -0.005 0.000 1.131 482 T HN 0.210 nan 8.240 nan 0.000 0.529 483 L N 0.820 122.056 121.223 0.023 0.000 2.187 483 L HA 0.094 4.433 4.340 -0.000 0.000 0.213 483 L C 1.063 177.937 176.870 0.008 0.000 1.100 483 L CA 1.606 56.456 54.840 0.016 0.000 0.765 483 L CB -0.310 41.757 42.059 0.014 0.000 0.904 483 L HN 0.193 nan 8.230 nan 0.000 0.437 484 K N 0.104 120.509 120.400 0.009 0.000 2.440 484 K HA 0.254 4.574 4.320 -0.000 0.000 0.206 484 K C 0.632 177.238 176.600 0.010 0.000 1.025 484 K CA 0.297 56.589 56.287 0.008 0.000 1.135 484 K CB 0.555 33.060 32.500 0.008 0.000 0.856 484 K HN 0.177 nan 8.250 nan 0.000 0.502 485 A N 1.948 124.774 122.820 0.011 0.000 3.074 485 A HA 0.069 4.389 4.320 -0.000 0.000 0.251 485 A C 0.364 177.957 177.584 0.015 0.000 1.695 485 A CA -0.145 51.898 52.037 0.011 0.000 1.343 485 A CB -0.590 18.416 19.000 0.010 0.000 1.078 485 A HN 0.108 nan 8.150 nan 0.000 0.644 486 R N 1.828 122.338 120.500 0.016 0.000 2.296 486 R HA 0.224 4.564 4.340 -0.000 0.000 0.327 486 R C -0.271 176.044 176.300 0.026 0.000 1.137 486 R CA 0.345 56.458 56.100 0.021 0.000 1.020 486 R CB 0.074 30.389 30.300 0.024 0.000 1.110 486 R HN 0.552 nan 8.270 nan 0.000 0.499 487 T N -0.853 113.715 114.554 0.024 0.000 2.936 487 T HA 0.533 4.882 4.350 -0.000 0.000 0.282 487 T C -0.133 174.585 174.700 0.031 0.000 1.003 487 T CA -0.739 61.374 62.100 0.023 0.000 1.005 487 T CB 2.128 71.005 68.868 0.015 0.000 1.097 487 T HN 0.146 nan 8.240 nan 0.000 0.532 488 V N 1.300 121.230 119.914 0.027 0.000 2.568 488 V HA 0.552 4.672 4.120 -0.000 0.000 0.276 488 V C 0.918 177.023 176.094 0.017 0.000 1.002 488 V CA -0.865 61.453 62.300 0.031 0.000 0.879 488 V CB 0.887 32.734 31.823 0.040 0.000 1.040 488 V HN 1.332 nan 8.190 nan 0.000 0.457 489 G N 2.267 111.075 108.800 0.014 0.000 2.716 489 G HA2 0.389 4.349 3.960 -0.000 0.000 0.251 489 G HA3 0.389 4.349 3.960 -0.000 0.000 0.251 489 G C 0.241 175.142 174.900 0.003 0.000 1.224 489 G CA 0.307 45.409 45.100 0.004 0.000 0.891 489 G HN 1.116 nan 8.290 nan 0.000 0.561 490 V N -0.303 119.608 119.914 -0.005 0.000 2.834 490 V HA 0.515 4.635 4.120 -0.000 0.000 0.301 490 V C -1.805 174.287 176.094 -0.004 0.000 1.066 490 V CA -1.624 60.672 62.300 -0.007 0.000 1.052 490 V CB 0.518 32.332 31.823 -0.016 0.000 1.021 490 V HN 0.605 nan 8.190 nan 0.000 0.480 491 P HA 0.081 nan 4.420 nan 0.000 0.263 491 P C -0.378 176.924 177.300 0.003 0.000 1.175 491 P CA 0.406 63.509 63.100 0.006 0.000 0.761 491 P CB 0.026 31.730 31.700 0.007 0.000 0.794 492 N N 2.044 120.751 118.700 0.011 0.000 2.454 492 N HA -0.061 4.679 4.740 -0.000 0.000 0.254 492 N C -0.236 175.287 175.510 0.021 0.000 1.228 492 N CA 0.196 53.255 53.050 0.015 0.000 0.900 492 N CB 0.245 38.748 38.487 0.027 0.000 1.089 492 N HN 0.254 nan 8.380 nan 0.000 0.449 493 D N 3.327 123.742 120.400 0.024 0.000 2.422 493 D HA -0.002 4.638 4.640 -0.000 0.000 0.227 493 D C 1.319 177.671 176.300 0.088 0.000 1.190 493 D CA -0.256 53.771 54.000 0.045 0.000 0.905 493 D CB 0.467 41.282 40.800 0.025 0.000 1.034 493 D HN 0.471 nan 8.370 nan 0.000 0.507 494 V N 4.403 124.357 119.914 0.068 0.000 2.407 494 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 494 V C 1.921 178.065 176.094 0.083 0.000 1.055 494 V CA 1.295 63.637 62.300 0.070 0.000 1.049 494 V CB -0.392 31.460 31.823 0.049 0.000 0.662 494 V HN 0.537 nan 8.190 nan 0.000 0.455 495 L N -1.299 119.978 121.223 0.089 0.000 2.044 495 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 495 L C 2.627 179.562 176.870 0.107 0.000 1.075 495 L CA 2.320 57.210 54.840 0.084 0.000 0.747 495 L CB -0.849 41.254 42.059 0.074 0.000 0.903 495 L HN 0.487 nan 8.230 nan 0.000 0.435 496 Y N 1.464 121.781 120.300 0.028 0.000 2.145 496 Y HA -0.274 4.276 4.550 -0.000 0.000 0.286 496 Y C 2.146 178.084 175.900 0.062 0.000 1.145 496 Y CA 2.167 60.287 58.100 0.033 0.000 1.148 496 Y CB -0.312 38.150 38.460 0.004 0.000 0.981 496 Y HN 0.231 nan 8.280 nan 0.000 0.507 497 N N -0.612 118.234 118.700 0.242 0.000 2.446 497 N HA -0.078 4.662 4.740 -0.000 0.000 0.179 497 N C 1.549 177.139 175.510 0.134 0.000 1.054 497 N CA 0.705 53.871 53.050 0.192 0.000 0.905 497 N CB -0.030 38.568 38.487 0.184 0.000 0.973 497 N HN 0.339 nan 8.380 nan 0.000 0.448 498 E N 0.909 121.161 120.200 0.087 0.000 2.028 498 E HA -0.041 4.308 4.350 -0.000 0.000 0.190 498 E C 1.792 178.408 176.600 0.027 0.000 0.984 498 E CA 0.635 57.067 56.400 0.054 0.000 0.800 498 E CB -0.416 29.309 29.700 0.042 0.000 0.758 498 E HN 0.064 nan 8.360 nan 0.000 0.448 499 V N 0.007 119.924 119.914 0.005 0.000 2.626 499 V HA -0.103 4.017 4.120 -0.000 0.000 0.252 499 V C 0.485 176.553 176.094 -0.044 0.000 1.067 499 V CA 1.143 63.425 62.300 -0.029 0.000 1.081 499 V CB -0.499 31.297 31.823 -0.046 0.000 0.686 499 V HN 0.427 nan 8.190 nan 0.000 0.468 500 Y N 2.500 122.699 120.300 -0.169 0.000 2.526 500 Y HA 0.211 4.761 4.550 -0.000 0.000 0.330 500 Y C 0.387 176.236 175.900 -0.084 0.000 1.156 500 Y CA -0.120 57.879 58.100 -0.170 0.000 1.419 500 Y CB 0.223 38.555 38.460 -0.214 0.000 1.250 500 Y HN 0.374 nan 8.280 nan 0.000 0.540 501 E N 4.591 124.266 120.200 -0.874 0.000 2.145 501 E HA 0.376 4.726 4.350 -0.000 0.000 0.270 501 E C -0.119 175.837 176.600 -1.074 0.000 0.906 501 E CA -0.667 55.317 56.400 -0.694 0.000 0.761 501 E CB 1.235 30.713 29.700 -0.371 0.000 1.116 501 E HN 0.914 nan 8.360 nan 0.000 0.408 502 G N 3.632 112.040 108.800 -0.653 0.000 2.537 502 G HA2 0.340 4.300 3.960 -0.000 0.000 0.273 502 G HA3 0.340 4.300 3.960 -0.000 0.000 0.273 502 G C -1.987 172.824 174.900 -0.150 0.000 1.189 502 G CA -0.848 44.063 45.100 -0.315 0.000 0.881 502 G HN 0.309 nan 8.290 nan 0.000 0.535 503 P HA 0.272 nan 4.420 nan 0.000 0.271 503 P C 0.005 177.290 177.300 -0.025 0.000 1.238 503 P CA 0.055 63.144 63.100 -0.019 0.000 0.794 503 P CB 0.531 32.244 31.700 0.023 0.000 0.959 504 T N -2.183 112.356 114.554 -0.025 0.000 2.900 504 T HA 0.608 4.958 4.350 -0.000 0.000 0.303 504 T C -0.435 174.250 174.700 -0.025 0.000 1.142 504 T CA -0.988 61.097 62.100 -0.025 0.000 1.007 504 T CB 0.578 69.427 68.868 -0.032 0.000 1.156 504 T HN 0.100 nan 8.240 nan 0.000 0.490 505 L N 1.647 122.855 121.223 -0.026 0.000 2.371 505 L HA 0.391 4.731 4.340 -0.000 0.000 0.272 505 L C 0.758 177.593 176.870 -0.059 0.000 1.124 505 L CA -0.762 54.054 54.840 -0.041 0.000 0.816 505 L CB 0.530 42.566 42.059 -0.037 0.000 1.129 505 L HN 0.745 nan 8.230 nan 0.000 0.448 506 T N 2.550 117.055 114.554 -0.082 0.000 2.761 506 T HA 0.075 4.425 4.350 -0.000 0.000 0.287 506 T C 0.292 174.897 174.700 -0.158 0.000 0.931 506 T CA -0.359 61.680 62.100 -0.101 0.000 1.164 506 T CB -0.266 68.540 68.868 -0.104 0.000 0.876 506 T HN 0.614 nan 8.240 nan 0.000 0.534 507 E N 3.129 123.266 120.200 -0.104 0.000 2.391 507 E HA 0.269 4.619 4.350 -0.000 0.000 0.255 507 E C -0.552 175.978 176.600 -0.117 0.000 1.187 507 E CA -0.665 55.687 56.400 -0.081 0.000 0.941 507 E CB 0.445 30.160 29.700 0.025 0.000 1.010 507 E HN 0.389 nan 8.360 nan 0.000 0.458 508 F N 0.227 120.173 119.950 -0.006 0.000 2.403 508 F HA 0.150 4.677 4.527 -0.000 0.000 0.320 508 F C 1.000 176.797 175.800 -0.006 0.000 1.176 508 F CA -0.339 57.657 58.000 -0.005 0.000 1.206 508 F CB 0.603 39.599 39.000 -0.005 0.000 1.235 508 F HN 0.462 nan 8.300 nan 0.000 0.565 509 E N 0.705 121.033 120.200 0.213 0.000 2.360 509 E HA 0.022 4.372 4.350 -0.000 0.000 0.269 509 E C 0.377 177.036 176.600 0.098 0.000 1.022 509 E CA -0.004 56.462 56.400 0.111 0.000 0.887 509 E CB 0.634 30.384 29.700 0.083 0.000 0.990 509 E HN 0.501 nan 8.360 nan 0.000 0.426 510 D N 2.461 122.898 120.400 0.061 0.000 2.117 510 D HA -0.013 4.627 4.640 -0.000 0.000 0.198 510 D C 0.287 176.601 176.300 0.024 0.000 0.982 510 D CA 1.161 55.185 54.000 0.039 0.000 0.828 510 D CB 0.123 40.939 40.800 0.027 0.000 0.967 510 D HN 0.325 nan 8.370 nan 0.000 0.464 511 A N 0.000 122.834 122.820 0.024 0.000 2.254 511 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 511 A CA 0.000 52.046 52.037 0.015 0.000 0.836 511 A CB 0.000 19.005 19.000 0.008 0.000 0.831 511 A HN 0.000 nan 8.150 nan 0.000 0.486