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 3odu_1_B DATA FIRST_RESID 28 DATA SEQUENCE cFREENANFN KIFLPTIYSI IFLTGIVGNG LVILVMGYQK KLRSMTDKYR DATA SEQUENCE LHLSVADLLF VITLPFWAVD AVANWYFGNF LcKAVHVIYT VNLYSSVWIL DATA SEQUENCE AFISLDRYLA IVHATNSQRP RKLLAEKVVY VGVWIPALLL TIPDFIFANV DATA SEQUENCE SEADDRYIcD RFYPNDLWVV VFQFQHIMVG LILPGIVILS CYCIIISKLS DATA SEQUENCE HSKGHQKRKA LKTTVILILA FFACWLPYYI GISIDSFILL EIIKQGcEFE DATA SEQUENCE NTVHKWISIT EALAFFHCCL NPILYAFLGA KFKTSAQHAL TSXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXGSXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXNIFEML RIDEGLRLKI YKDTEGYYTI DATA SEQUENCE GIGHLLTKSP SLNAAKSELD KAIGRNTNGV ITKDEAEKLF NQDVDAAVRG DATA SEQUENCE ILRNAKLKPV YDSLDAVRRA ALINMVFQMG ETGVAGFTNS LRMLQQKRWD DATA SEQUENCE EAAVNLAKSR WYNQTPNRAK RVITTFRTGT WDAYXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXGS 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 28 c HA 0.000 nan 4.570 nan 0.000 0.325 28 c C 0.000 173.686 174.090 -0.674 0.000 1.270 28 c CA 0.000 56.000 56.329 -0.549 0.000 1.963 28 c CB 0.000 42.373 42.510 -0.228 0.000 2.134 29 F N 4.612 124.606 119.950 0.072 0.000 2.598 29 F HA 0.755 5.283 4.527 0.002 0.000 0.327 29 F C 0.443 176.295 175.800 0.086 0.000 1.057 29 F CA -0.961 57.082 58.000 0.072 0.000 0.957 29 F CB 0.823 39.857 39.000 0.057 0.000 1.278 29 F HN 0.518 nan 8.300 nan 0.000 0.484 30 R N 1.476 122.145 120.500 0.281 0.000 2.543 30 R HA 0.272 4.613 4.340 0.002 0.000 0.277 30 R C -1.083 175.325 176.300 0.180 0.000 1.074 30 R CA 0.049 56.270 56.100 0.201 0.000 1.076 30 R CB 0.837 31.228 30.300 0.151 0.000 0.993 30 R HN 0.890 nan 8.270 nan 0.000 0.459 31 E N 2.602 122.893 120.200 0.153 0.000 2.580 31 E HA 0.116 4.468 4.350 0.002 0.000 0.248 31 E C -0.860 175.800 176.600 0.099 0.000 1.018 31 E CA -0.486 55.986 56.400 0.120 0.000 0.775 31 E CB 1.083 30.854 29.700 0.119 0.000 1.378 31 E HN 0.555 nan 8.360 nan 0.000 0.401 32 E N 1.552 121.803 120.200 0.086 0.000 2.384 32 E HA 0.068 4.419 4.350 0.002 0.000 0.266 32 E C -0.170 176.470 176.600 0.067 0.000 1.012 32 E CA -0.100 56.346 56.400 0.077 0.000 0.901 32 E CB 0.652 30.395 29.700 0.072 0.000 0.967 32 E HN 0.255 nan 8.360 nan 0.000 0.435 33 N N 0.694 119.433 118.700 0.065 0.000 2.419 33 N HA 0.238 4.979 4.740 0.002 0.000 0.277 33 N C 0.214 175.762 175.510 0.063 0.000 1.006 33 N CA -0.125 52.962 53.050 0.062 0.000 0.923 33 N CB 1.537 40.062 38.487 0.063 0.000 1.140 33 N HN 0.449 nan 8.380 nan 0.000 0.488 34 A N 3.849 126.703 122.820 0.057 0.000 1.854 34 A HA -0.134 4.187 4.320 0.002 0.000 0.214 34 A C 1.689 179.309 177.584 0.061 0.000 1.192 34 A CA 1.129 53.197 52.037 0.052 0.000 0.611 34 A CB -0.512 18.514 19.000 0.043 0.000 0.832 34 A HN 0.829 nan 8.150 nan 0.000 0.442 35 N N -1.044 117.705 118.700 0.081 0.000 2.149 35 N HA -0.155 4.586 4.740 0.002 0.000 0.188 35 N C 1.341 176.961 175.510 0.184 0.000 1.019 35 N CA 1.814 54.931 53.050 0.111 0.000 0.857 35 N CB -0.519 38.032 38.487 0.107 0.000 0.997 35 N HN 0.449 nan 8.380 nan 0.000 0.426 36 F N 0.585 120.515 119.950 -0.032 0.000 2.514 36 F HA 0.333 4.861 4.527 0.002 0.000 0.281 36 F C 1.932 177.729 175.800 -0.005 0.000 1.060 36 F CA -0.053 57.916 58.000 -0.051 0.000 1.397 36 F CB -0.030 38.873 39.000 -0.162 0.000 1.129 36 F HN -0.044 nan 8.300 nan 0.000 0.620 37 N N -0.179 118.528 118.700 0.012 0.000 2.290 37 N HA -0.122 4.620 4.740 0.002 0.000 0.179 37 N C 1.694 177.184 175.510 -0.033 0.000 1.016 37 N CA 0.448 53.485 53.050 -0.022 0.000 0.871 37 N CB 0.038 38.550 38.487 0.042 0.000 0.987 37 N HN 0.112 nan 8.380 nan 0.000 0.431 38 K N 0.976 121.374 120.400 -0.003 0.000 2.209 38 K HA -0.035 4.286 4.320 0.002 0.000 0.204 38 K C 1.551 178.134 176.600 -0.029 0.000 1.048 38 K CA 0.927 57.220 56.287 0.009 0.000 0.940 38 K CB 0.181 32.697 32.500 0.027 0.000 0.729 38 K HN 0.167 nan 8.250 nan 0.000 0.451 39 I N -1.247 119.274 120.570 -0.082 0.000 3.039 39 I HA -0.074 4.098 4.170 0.002 0.000 0.270 39 I C 1.713 177.703 176.117 -0.212 0.000 1.150 39 I CA -0.036 61.194 61.300 -0.116 0.000 1.448 39 I CB -0.073 37.873 38.000 -0.090 0.000 1.197 39 I HN 0.037 nan 8.210 nan 0.000 0.450 40 F N 2.085 121.713 119.950 -0.536 0.000 2.113 40 F HA -0.152 4.376 4.527 0.002 0.000 0.297 40 F C 2.121 177.645 175.800 -0.459 0.000 1.103 40 F CA 1.767 59.376 58.000 -0.652 0.000 1.248 40 F CB -0.204 38.045 39.000 -1.251 0.000 0.999 40 F HN -0.146 nan 8.300 nan 0.000 0.475 41 L N 0.774 121.726 121.223 -0.452 0.000 2.017 41 L HA -0.138 4.203 4.340 0.002 0.000 0.208 41 L C -0.427 175.960 176.870 -0.806 0.000 1.073 41 L CA 1.253 55.672 54.840 -0.702 0.000 0.745 41 L CB -2.304 39.507 42.059 -0.414 0.000 0.894 41 L HN 0.135 nan 8.230 nan 0.000 0.432 42 P HA -0.116 nan 4.420 nan 0.000 0.218 42 P C 1.475 178.701 177.300 -0.123 0.000 1.149 42 P CA 1.437 64.508 63.100 -0.048 0.000 0.817 42 P CB -0.193 31.525 31.700 0.030 0.000 0.785 43 T N 0.836 115.237 114.554 -0.254 0.000 2.684 43 T HA -0.114 4.237 4.350 0.002 0.000 0.267 43 T C 1.902 176.421 174.700 -0.301 0.000 1.036 43 T CA 1.085 63.032 62.100 -0.255 0.000 1.148 43 T CB -0.657 68.023 68.868 -0.313 0.000 0.863 43 T HN -0.043 nan 8.240 nan 0.000 0.436 44 I N 0.512 120.759 120.570 -0.539 0.000 2.179 44 I HA -0.127 4.045 4.170 0.002 0.000 0.242 44 I C 2.259 178.272 176.117 -0.172 0.000 1.088 44 I CA 1.435 62.454 61.300 -0.468 0.000 1.357 44 I CB -1.422 36.158 38.000 -0.700 0.000 1.051 44 I HN 0.387 nan 8.210 nan 0.000 0.409 45 Y N 1.012 121.247 120.300 -0.108 0.000 2.114 45 Y HA -0.270 4.281 4.550 0.002 0.000 0.282 45 Y C 2.948 178.840 175.900 -0.014 0.000 1.165 45 Y CA 1.236 59.317 58.100 -0.032 0.000 1.148 45 Y CB -0.471 37.994 38.460 0.008 0.000 0.972 45 Y HN 0.130 nan 8.280 nan 0.000 0.504 46 S N 0.249 116.027 115.700 0.129 0.000 2.383 46 S HA -0.142 4.329 4.470 0.002 0.000 0.227 46 S C 1.874 176.568 174.600 0.156 0.000 1.026 46 S CA 1.125 59.403 58.200 0.130 0.000 0.981 46 S CB -0.372 62.859 63.200 0.052 0.000 0.818 46 S HN 0.330 nan 8.310 nan 0.000 0.472 47 I N 1.055 121.660 120.570 0.059 0.000 2.315 47 I HA -0.143 4.028 4.170 0.002 0.000 0.248 47 I C 1.844 177.995 176.117 0.056 0.000 1.117 47 I CA 0.773 62.093 61.300 0.032 0.000 1.404 47 I CB -0.248 37.733 38.000 -0.032 0.000 1.071 47 I HN 0.256 nan 8.210 nan 0.000 0.419 48 I N 0.321 120.943 120.570 0.085 0.000 2.233 48 I HA -0.268 3.903 4.170 0.002 0.000 0.243 48 I C 2.483 178.626 176.117 0.042 0.000 1.093 48 I CA 1.460 62.815 61.300 0.092 0.000 1.380 48 I CB -1.280 36.800 38.000 0.135 0.000 1.067 48 I HN 0.172 nan 8.210 nan 0.000 0.413 49 F N 1.827 121.735 119.950 -0.069 0.000 2.045 49 F HA -0.301 4.228 4.527 0.002 0.000 0.297 49 F C 2.426 178.190 175.800 -0.060 0.000 1.114 49 F CA 1.959 59.899 58.000 -0.100 0.000 1.207 49 F CB -0.757 38.182 39.000 -0.101 0.000 0.964 49 F HN -0.042 nan 8.300 nan 0.000 0.486 50 L N -0.279 120.821 121.223 -0.206 0.000 1.994 50 L HA -0.232 4.110 4.340 0.002 0.000 0.208 50 L C 2.670 179.401 176.870 -0.231 0.000 1.071 50 L CA 2.135 56.797 54.840 -0.297 0.000 0.745 50 L CB -1.037 40.994 42.059 -0.048 0.000 0.892 50 L HN 0.441 nan 8.230 nan 0.000 0.431 51 T N -3.933 110.559 114.554 -0.103 0.000 2.995 51 T HA -0.037 4.314 4.350 0.002 0.000 0.269 51 T C 1.756 176.411 174.700 -0.075 0.000 1.091 51 T CA 0.804 62.872 62.100 -0.054 0.000 1.128 51 T CB -0.437 68.451 68.868 0.033 0.000 0.891 51 T HN 0.385 nan 8.240 nan 0.000 0.492 52 G N 2.334 111.067 108.800 -0.113 0.000 2.396 52 G HA2 0.067 4.028 3.960 0.002 0.000 0.214 52 G HA3 0.067 4.028 3.960 0.002 0.000 0.214 52 G C 1.483 176.300 174.900 -0.139 0.000 1.166 52 G CA 0.743 45.781 45.100 -0.103 0.000 0.793 52 G HN 0.668 nan 8.290 nan 0.000 0.533 53 I N 0.030 120.442 120.570 -0.264 0.000 2.163 53 I HA -0.106 4.065 4.170 0.002 0.000 0.243 53 I C 2.481 178.507 176.117 -0.151 0.000 1.085 53 I CA 1.093 62.250 61.300 -0.238 0.000 1.347 53 I CB -1.055 36.707 38.000 -0.397 0.000 1.044 53 I HN 0.001 nan 8.210 nan 0.000 0.408 54 V N 1.902 121.722 119.914 -0.157 0.000 2.307 54 V HA -0.113 4.008 4.120 0.002 0.000 0.245 54 V C 2.715 178.772 176.094 -0.061 0.000 1.045 54 V CA 2.155 64.395 62.300 -0.100 0.000 1.024 54 V CB -1.699 30.068 31.823 -0.093 0.000 0.651 54 V HN 0.651 nan 8.190 nan 0.000 0.449 55 G N 0.005 108.775 108.800 -0.050 0.000 2.404 55 G HA2 -0.198 3.763 3.960 0.002 0.000 0.214 55 G HA3 -0.198 3.763 3.960 0.002 0.000 0.214 55 G C 1.442 176.345 174.900 0.005 0.000 1.189 55 G CA 0.681 45.771 45.100 -0.017 0.000 0.789 55 G HN 0.486 nan 8.290 nan 0.000 0.533 56 N N 1.263 119.965 118.700 0.004 0.000 2.106 56 N HA -0.103 4.639 4.740 0.002 0.000 0.188 56 N C 2.419 177.941 175.510 0.020 0.000 1.029 56 N CA 1.352 54.419 53.050 0.030 0.000 0.848 56 N CB -0.761 37.748 38.487 0.035 0.000 1.007 56 N HN 0.301 nan 8.380 nan 0.000 0.423 57 G N 1.765 110.563 108.800 -0.004 0.000 2.469 57 G HA2 -0.199 3.762 3.960 0.002 0.000 0.220 57 G HA3 -0.199 3.762 3.960 0.002 0.000 0.220 57 G C 1.730 176.631 174.900 0.002 0.000 1.136 57 G CA 0.404 45.503 45.100 -0.001 0.000 0.759 57 G HN 0.215 nan 8.290 nan 0.000 0.562 58 L N 0.037 121.252 121.223 -0.013 0.000 2.072 58 L HA -0.054 4.287 4.340 0.002 0.000 0.205 58 L C 3.019 179.869 176.870 -0.034 0.000 1.079 58 L CA 0.428 55.254 54.840 -0.023 0.000 0.752 58 L CB -0.285 41.753 42.059 -0.036 0.000 0.906 58 L HN 0.116 nan 8.230 nan 0.000 0.436 59 V N 0.177 120.076 119.914 -0.025 0.000 2.343 59 V HA -0.310 3.811 4.120 0.002 0.000 0.247 59 V C 2.289 178.358 176.094 -0.041 0.000 1.051 59 V CA 1.760 64.026 62.300 -0.056 0.000 1.036 59 V CB -0.368 31.477 31.823 0.035 0.000 0.654 59 V HN 0.325 nan 8.190 nan 0.000 0.451 60 I N -0.438 120.131 120.570 -0.001 0.000 2.179 60 I HA -0.250 3.921 4.170 0.002 0.000 0.242 60 I C 2.297 178.421 176.117 0.010 0.000 1.088 60 I CA 1.727 63.026 61.300 -0.001 0.000 1.357 60 I CB -0.310 37.710 38.000 0.034 0.000 1.051 60 I HN 0.257 nan 8.210 nan 0.000 0.409 61 L N -0.407 120.860 121.223 0.073 0.000 2.095 61 L HA -0.119 4.223 4.340 0.002 0.000 0.204 61 L C 2.536 179.448 176.870 0.071 0.000 1.080 61 L CA 0.696 55.632 54.840 0.160 0.000 0.759 61 L CB -0.629 41.501 42.059 0.118 0.000 0.914 61 L HN 0.013 nan 8.230 nan 0.000 0.439 62 V N 0.608 120.521 119.914 -0.003 0.000 2.332 62 V HA -0.322 3.799 4.120 0.002 0.000 0.248 62 V C 2.394 178.452 176.094 -0.060 0.000 1.055 62 V CA 2.508 64.783 62.300 -0.041 0.000 1.038 62 V CB -0.450 31.319 31.823 -0.090 0.000 0.651 62 V HN 0.566 nan 8.190 nan 0.000 0.450 63 M N -0.424 119.123 119.600 -0.089 0.000 2.257 63 M HA 0.238 4.720 4.480 0.002 0.000 0.260 63 M C 2.261 178.499 176.300 -0.103 0.000 1.102 63 M CA 1.971 57.216 55.300 -0.093 0.000 1.169 63 M CB -1.399 31.133 32.600 -0.112 0.000 1.323 63 M HN 0.137 nan 8.290 nan 0.000 0.447 64 G N 0.586 109.290 108.800 -0.160 0.000 2.766 64 G HA2 -0.301 3.660 3.960 0.002 0.000 0.222 64 G HA3 -0.301 3.660 3.960 0.002 0.000 0.222 64 G C 1.064 175.718 174.900 -0.410 0.000 1.225 64 G CA 1.959 46.847 45.100 -0.353 0.000 0.784 64 G HN 0.551 nan 8.290 nan 0.000 0.631 65 Y N 0.695 120.979 120.300 -0.028 0.000 2.084 65 Y HA -0.078 4.474 4.550 0.002 0.000 0.279 65 Y C 3.182 179.069 175.900 -0.023 0.000 1.119 65 Y CA 1.862 59.947 58.100 -0.025 0.000 1.101 65 Y CB -1.108 37.336 38.460 -0.026 0.000 0.989 65 Y HN 0.452 nan 8.280 nan 0.000 0.484 66 Q N 1.107 120.968 119.800 0.101 0.000 2.049 66 Q HA -0.123 4.218 4.340 0.002 0.000 0.198 66 Q C 0.818 176.826 176.000 0.013 0.000 0.971 66 Q CA 1.145 56.975 55.803 0.046 0.000 0.833 66 Q CB -0.081 28.676 28.738 0.032 0.000 0.896 66 Q HN 0.154 nan 8.270 nan 0.000 0.434 67 K N 0.315 120.710 120.400 -0.008 0.000 2.264 67 K HA 0.194 4.515 4.320 0.002 0.000 0.277 67 K C 0.452 177.041 176.600 -0.017 0.000 1.067 67 K CA 0.479 56.758 56.287 -0.014 0.000 0.900 67 K CB 1.422 33.906 32.500 -0.026 0.000 1.124 67 K HN 0.164 nan 8.250 nan 0.000 0.469 68 K N 4.162 124.558 120.400 -0.007 0.000 2.031 68 K HA -0.045 4.276 4.320 0.002 0.000 0.205 68 K C 0.842 177.441 176.600 -0.001 0.000 1.049 68 K CA 0.847 57.130 56.287 -0.006 0.000 0.939 68 K CB -0.278 32.222 32.500 0.000 0.000 0.717 68 K HN 0.495 nan 8.250 nan 0.000 0.438 69 L N 2.381 123.607 121.223 0.005 0.000 2.283 69 L HA 0.331 4.673 4.340 0.002 0.000 0.287 69 L C -0.249 176.631 176.870 0.017 0.000 1.073 69 L CA -0.627 54.220 54.840 0.012 0.000 0.822 69 L CB 0.688 42.757 42.059 0.017 0.000 1.186 69 L HN 0.295 nan 8.230 nan 0.000 0.436 70 R N 2.302 122.813 120.500 0.017 0.000 2.393 70 R HA 0.361 4.703 4.340 0.002 0.000 0.310 70 R C -0.240 176.080 176.300 0.034 0.000 0.968 70 R CA -0.510 55.605 56.100 0.024 0.000 0.867 70 R CB 1.864 32.171 30.300 0.012 0.000 1.124 70 R HN 0.647 nan 8.270 nan 0.000 0.450 71 S N 2.267 117.999 115.700 0.053 0.000 2.576 71 S HA 0.034 4.505 4.470 0.002 0.000 0.276 71 S C 1.335 175.976 174.600 0.068 0.000 1.339 71 S CA -0.418 57.824 58.200 0.069 0.000 1.039 71 S CB 0.867 64.124 63.200 0.094 0.000 0.902 71 S HN 0.620 nan 8.310 nan 0.000 0.516 72 M N 3.641 123.287 119.600 0.075 0.000 2.086 72 M HA -0.053 4.428 4.480 0.002 0.000 0.261 72 M C 2.115 178.503 176.300 0.146 0.000 1.067 72 M CA 1.977 57.319 55.300 0.070 0.000 1.116 72 M CB -0.797 31.875 32.600 0.119 0.000 1.348 72 M HN 0.833 nan 8.290 nan 0.000 0.407 73 T N 0.213 114.893 114.554 0.209 0.000 2.720 73 T HA -0.162 4.190 4.350 0.002 0.000 0.268 73 T C 1.365 176.207 174.700 0.237 0.000 1.037 73 T CA 1.618 63.876 62.100 0.263 0.000 1.144 73 T CB -0.537 68.437 68.868 0.177 0.000 0.864 73 T HN 0.391 nan 8.240 nan 0.000 0.444 74 D N 1.188 121.704 120.400 0.193 0.000 2.149 74 D HA -0.069 4.572 4.640 0.002 0.000 0.198 74 D C 2.116 178.509 176.300 0.155 0.000 0.990 74 D CA 1.029 55.158 54.000 0.214 0.000 0.839 74 D CB -0.174 40.730 40.800 0.174 0.000 0.948 74 D HN 0.396 nan 8.370 nan 0.000 0.460 75 K N -0.233 120.205 120.400 0.064 0.000 2.063 75 K HA -0.165 4.156 4.320 0.002 0.000 0.208 75 K C 2.158 178.794 176.600 0.059 0.000 1.048 75 K CA 1.044 57.326 56.287 -0.008 0.000 0.928 75 K CB -0.182 32.209 32.500 -0.182 0.000 0.713 75 K HN 0.202 nan 8.250 nan 0.000 0.442 76 Y N 0.646 121.034 120.300 0.146 0.000 2.263 76 Y HA -0.045 4.507 4.550 0.002 0.000 0.292 76 Y C 2.074 178.072 175.900 0.163 0.000 1.130 76 Y CA 0.957 59.116 58.100 0.098 0.000 1.179 76 Y CB -0.082 38.403 38.460 0.042 0.000 0.998 76 Y HN -0.060 nan 8.280 nan 0.000 0.532 77 R N -0.568 120.122 120.500 0.316 0.000 2.237 77 R HA -0.118 4.223 4.340 0.002 0.000 0.219 77 R C 1.925 178.384 176.300 0.265 0.000 1.080 77 R CA 0.733 56.997 56.100 0.273 0.000 0.995 77 R CB -0.393 30.075 30.300 0.280 0.000 0.875 77 R HN 0.250 nan 8.270 nan 0.000 0.462 78 L N 0.230 121.597 121.223 0.239 0.000 2.044 78 L HA -0.138 4.203 4.340 0.002 0.000 0.205 78 L C 1.997 178.971 176.870 0.173 0.000 1.075 78 L CA 1.866 56.799 54.840 0.154 0.000 0.747 78 L CB -0.653 41.451 42.059 0.075 0.000 0.903 78 L HN 0.207 nan 8.230 nan 0.000 0.435 79 H N -1.083 118.088 119.070 0.169 0.000 2.319 79 H HA -0.202 4.355 4.556 0.002 0.000 0.297 79 H C 2.179 177.677 175.328 0.283 0.000 1.097 79 H CA 2.025 58.238 56.048 0.276 0.000 1.285 79 H CB -0.121 29.796 29.762 0.259 0.000 1.368 79 H HN 0.293 nan 8.280 nan 0.000 0.495 80 L N 0.683 122.096 121.223 0.317 0.000 1.989 80 L HA -0.158 4.183 4.340 0.002 0.000 0.211 80 L C 2.517 179.524 176.870 0.228 0.000 1.071 80 L CA 1.551 56.525 54.840 0.222 0.000 0.749 80 L CB -0.720 41.443 42.059 0.172 0.000 0.890 80 L HN -0.000 nan 8.230 nan 0.000 0.431 81 S N -1.420 114.403 115.700 0.205 0.000 2.419 81 S HA -0.139 4.332 4.470 0.002 0.000 0.233 81 S C 1.950 176.646 174.600 0.160 0.000 1.016 81 S CA 1.186 59.485 58.200 0.165 0.000 0.974 81 S CB -0.293 62.990 63.200 0.139 0.000 0.786 81 S HN 0.334 nan 8.310 nan 0.000 0.492 82 V N 1.630 121.653 119.914 0.181 0.000 2.358 82 V HA -0.160 3.961 4.120 0.002 0.000 0.246 82 V C 2.587 178.844 176.094 0.273 0.000 1.047 82 V CA 1.648 64.050 62.300 0.169 0.000 1.035 82 V CB -1.059 30.820 31.823 0.093 0.000 0.658 82 V HN 0.535 nan 8.190 nan 0.000 0.452 83 A N -0.313 122.760 122.820 0.420 0.000 1.933 83 A HA -0.236 4.085 4.320 0.002 0.000 0.218 83 A C 1.984 179.754 177.584 0.310 0.000 1.175 83 A CA 1.989 54.291 52.037 0.441 0.000 0.628 83 A CB -0.481 18.706 19.000 0.312 0.000 0.814 83 A HN 0.560 nan 8.150 nan 0.000 0.444 84 D N -0.693 119.861 120.400 0.257 0.000 2.194 84 D HA -0.055 4.586 4.640 0.002 0.000 0.204 84 D C 1.832 178.238 176.300 0.177 0.000 0.964 84 D CA 0.909 55.047 54.000 0.229 0.000 0.846 84 D CB -0.203 40.695 40.800 0.163 0.000 0.962 84 D HN 0.373 nan 8.370 nan 0.000 0.490 85 L N 0.810 122.115 121.223 0.136 0.000 2.093 85 L HA -0.059 4.283 4.340 0.002 0.000 0.208 85 L C 2.068 178.999 176.870 0.101 0.000 1.085 85 L CA 1.112 56.001 54.840 0.082 0.000 0.755 85 L CB -0.573 41.524 42.059 0.064 0.000 0.904 85 L HN -0.062 nan 8.230 nan 0.000 0.435 86 L N -1.142 120.174 121.223 0.154 0.000 2.017 86 L HA -0.210 4.131 4.340 0.002 0.000 0.208 86 L C 2.324 179.311 176.870 0.196 0.000 1.073 86 L CA 1.998 56.939 54.840 0.167 0.000 0.745 86 L CB -0.875 41.304 42.059 0.200 0.000 0.894 86 L HN 0.418 nan 8.230 nan 0.000 0.432 87 F N -1.013 118.986 119.950 0.081 0.000 2.146 87 F HA -0.133 4.395 4.527 0.002 0.000 0.298 87 F C 2.170 177.962 175.800 -0.012 0.000 1.096 87 F CA 1.754 59.775 58.000 0.036 0.000 1.275 87 F CB -0.797 38.199 39.000 -0.006 0.000 1.008 87 F HN -0.113 nan 8.300 nan 0.000 0.480 88 V N 2.368 122.108 119.914 -0.290 0.000 2.490 88 V HA -0.272 3.849 4.120 0.002 0.000 0.250 88 V C 2.524 178.560 176.094 -0.096 0.000 1.061 88 V CA 1.888 63.972 62.300 -0.361 0.000 1.064 88 V CB -0.838 30.906 31.823 -0.132 0.000 0.670 88 V HN 0.584 nan 8.190 nan 0.000 0.461 89 I N -0.305 120.278 120.570 0.021 0.000 2.756 89 I HA -0.123 4.048 4.170 0.002 0.000 0.262 89 I C 2.143 178.321 176.117 0.101 0.000 1.225 89 I CA 1.828 63.217 61.300 0.149 0.000 1.472 89 I CB -0.902 37.178 38.000 0.134 0.000 1.094 89 I HN 0.445 nan 8.210 nan 0.000 0.454 90 T N -1.534 113.043 114.554 0.038 0.000 3.107 90 T HA 0.242 4.594 4.350 0.002 0.000 0.249 90 T C 1.672 176.462 174.700 0.151 0.000 1.096 90 T CA 0.035 62.264 62.100 0.216 0.000 1.012 90 T CB -0.271 68.727 68.868 0.217 0.000 0.977 90 T HN 0.422 nan 8.240 nan 0.000 0.527 91 L N 0.950 122.041 121.223 -0.220 0.000 2.131 91 L HA 0.050 4.391 4.340 0.002 0.000 0.210 91 L C -0.526 176.225 176.870 -0.198 0.000 1.092 91 L CA 1.062 55.701 54.840 -0.334 0.000 0.759 91 L CB -1.216 40.582 42.059 -0.434 0.000 0.903 91 L HN 0.232 nan 8.230 nan 0.000 0.435 92 P HA -0.185 nan 4.420 nan 0.000 0.218 92 P C 1.351 178.423 177.300 -0.380 0.000 1.148 92 P CA 1.483 64.268 63.100 -0.526 0.000 0.822 92 P CB -0.040 31.160 31.700 -0.834 0.000 0.784 93 F N -2.341 117.458 119.950 -0.251 0.000 2.102 93 F HA -0.125 4.403 4.527 0.002 0.000 0.298 93 F C 2.205 178.037 175.800 0.054 0.000 1.105 93 F CA 1.040 58.843 58.000 -0.327 0.000 1.239 93 F CB -1.653 37.091 39.000 -0.427 0.000 0.991 93 F HN -0.092 nan 8.300 nan 0.000 0.474 94 W N 0.485 121.807 121.300 0.037 0.000 2.321 94 W HA -0.213 4.448 4.660 0.002 0.000 0.306 94 W C 2.652 179.186 176.519 0.024 0.000 1.217 94 W CA 1.971 59.247 57.345 -0.115 0.000 1.257 94 W CB -1.222 27.850 29.460 -0.648 0.000 1.145 94 W HN -0.017 nan 8.180 nan 0.000 0.509 95 A N -0.347 122.652 122.820 0.298 0.000 1.873 95 A HA -0.145 4.176 4.320 0.002 0.000 0.215 95 A C 2.075 179.801 177.584 0.236 0.000 1.186 95 A CA 2.236 54.473 52.037 0.333 0.000 0.616 95 A CB -1.153 17.947 19.000 0.166 0.000 0.823 95 A HN 0.081 nan 8.150 nan 0.000 0.442 96 V N 0.666 120.700 119.914 0.199 0.000 2.307 96 V HA -0.257 3.864 4.120 0.002 0.000 0.245 96 V C 2.371 178.610 176.094 0.242 0.000 1.045 96 V CA 2.490 64.932 62.300 0.236 0.000 1.024 96 V CB -0.858 31.196 31.823 0.386 0.000 0.651 96 V HN 0.770 nan 8.190 nan 0.000 0.449 97 D N 0.488 121.083 120.400 0.326 0.000 2.133 97 D HA -0.201 4.440 4.640 0.002 0.000 0.195 97 D C 2.040 178.473 176.300 0.222 0.000 0.997 97 D CA 1.806 56.003 54.000 0.329 0.000 0.840 97 D CB -0.137 40.939 40.800 0.459 0.000 0.947 97 D HN 0.391 nan 8.370 nan 0.000 0.452 98 A N -0.102 122.870 122.820 0.252 0.000 1.929 98 A HA -0.006 4.316 4.320 0.002 0.000 0.216 98 A C 2.516 180.188 177.584 0.148 0.000 1.176 98 A CA 1.952 54.124 52.037 0.224 0.000 0.628 98 A CB -0.856 18.342 19.000 0.331 0.000 0.816 98 A HN 0.331 nan 8.150 nan 0.000 0.444 99 V N -3.326 116.670 119.914 0.137 0.000 2.302 99 V HA 0.270 4.391 4.120 0.002 0.000 0.243 99 V C 2.120 178.261 176.094 0.079 0.000 1.036 99 V CA 1.867 64.222 62.300 0.092 0.000 1.020 99 V CB -0.646 31.226 31.823 0.081 0.000 0.657 99 V HN 0.501 nan 8.190 nan 0.000 0.453 100 A N -0.619 122.249 122.820 0.081 0.000 2.042 100 A HA 0.480 4.801 4.320 0.002 0.000 0.204 100 A C 0.852 178.403 177.584 -0.055 0.000 1.712 100 A CA 0.586 52.648 52.037 0.041 0.000 0.890 100 A CB 0.060 19.130 19.000 0.117 0.000 1.176 100 A HN 0.578 nan 8.150 nan 0.000 0.573 101 N N -2.512 116.071 118.700 -0.194 0.000 3.127 101 N HA 0.121 4.862 4.740 0.002 0.000 0.239 101 N C -2.198 173.081 175.510 -0.385 0.000 1.407 101 N CA -0.447 52.372 53.050 -0.384 0.000 0.891 101 N CB 0.880 38.844 38.487 -0.873 0.000 1.447 101 N HN 0.388 nan 8.380 nan 0.000 0.507 102 W N 3.745 124.831 121.300 -0.358 0.000 2.228 102 W HA 0.264 4.926 4.660 0.002 0.000 0.364 102 W C -0.473 175.757 176.519 -0.482 0.000 0.917 102 W CA -0.280 56.914 57.345 -0.251 0.000 1.513 102 W CB -0.165 29.271 29.460 -0.039 0.000 1.494 102 W HN 0.697 nan 8.180 nan 0.000 0.346 103 Y N 2.231 121.953 120.300 -0.963 0.000 2.583 103 Y HA -0.103 4.448 4.550 0.002 0.000 0.293 103 Y C 1.257 176.586 175.900 -0.952 0.000 1.157 103 Y CA 0.685 58.222 58.100 -0.938 0.000 1.315 103 Y CB -0.233 37.645 38.460 -0.968 0.000 1.021 103 Y HN 0.176 nan 8.280 nan 0.000 0.536 104 F N -0.151 119.406 119.950 -0.655 0.000 2.693 104 F HA 0.438 4.967 4.527 0.002 0.000 0.303 104 F C 1.407 177.143 175.800 -0.107 0.000 1.097 104 F CA 0.016 57.767 58.000 -0.416 0.000 1.330 104 F CB -0.355 38.299 39.000 -0.575 0.000 1.067 104 F HN -0.006 nan 8.300 nan 0.000 0.565 105 G N 1.025 109.902 108.800 0.129 0.000 2.795 105 G HA2 -0.337 3.624 3.960 0.002 0.000 0.664 105 G HA3 -0.337 3.624 3.960 0.002 0.000 0.664 105 G C 0.289 175.415 174.900 0.376 0.000 1.381 105 G CA -0.064 45.165 45.100 0.216 0.000 0.853 105 G HN 0.255 nan 8.290 nan 0.000 0.545 106 N N -1.024 117.797 118.700 0.203 0.000 2.188 106 N HA 0.003 4.744 4.740 0.002 0.000 0.184 106 N C 2.067 177.630 175.510 0.088 0.000 1.018 106 N CA 2.382 55.500 53.050 0.115 0.000 0.858 106 N CB -0.179 38.335 38.487 0.045 0.000 0.989 106 N HN 0.579 nan 8.380 nan 0.000 0.426 107 F N 0.389 120.355 119.950 0.027 0.000 2.206 107 F HA 0.102 4.630 4.527 0.002 0.000 0.298 107 F C 1.630 177.430 175.800 -0.001 0.000 1.090 107 F CA 0.847 58.833 58.000 -0.024 0.000 1.323 107 F CB -0.034 38.966 39.000 -0.000 0.000 1.028 107 F HN -0.004 nan 8.300 nan 0.000 0.492 108 L N -0.742 120.503 121.223 0.037 0.000 2.156 108 L HA -0.203 4.138 4.340 0.002 0.000 0.208 108 L C 2.788 179.643 176.870 -0.026 0.000 1.095 108 L CA 0.912 55.695 54.840 -0.095 0.000 0.770 108 L CB -0.860 41.157 42.059 -0.068 0.000 0.914 108 L HN 0.418 nan 8.230 nan 0.000 0.439 109 c N 0.957 119.661 118.600 0.173 0.000 2.376 109 c HA -0.261 4.310 4.570 0.002 0.000 0.275 109 c C 2.866 176.844 174.090 -0.187 0.000 1.200 109 c CA 1.594 57.830 56.329 -0.156 0.000 1.756 109 c CB -0.556 41.788 42.510 -0.277 0.000 2.050 109 c HN 0.451 nan 8.230 nan 0.000 0.460 110 K N 0.606 120.829 120.400 -0.294 0.000 2.062 110 K HA 0.004 4.325 4.320 0.002 0.000 0.205 110 K C 2.384 178.831 176.600 -0.254 0.000 1.051 110 K CA 1.411 57.484 56.287 -0.357 0.000 0.941 110 K CB -0.436 31.652 32.500 -0.686 0.000 0.719 110 K HN 0.553 nan 8.250 nan 0.000 0.440 111 A N 1.584 124.158 122.820 -0.410 0.000 1.917 111 A HA -0.173 4.148 4.320 0.002 0.000 0.219 111 A C 2.457 179.969 177.584 -0.119 0.000 1.182 111 A CA 2.175 54.032 52.037 -0.299 0.000 0.633 111 A CB -0.992 17.736 19.000 -0.453 0.000 0.819 111 A HN 0.226 nan 8.150 nan 0.000 0.448 112 V N -3.204 116.621 119.914 -0.148 0.000 2.591 112 V HA -0.168 3.953 4.120 0.002 0.000 0.249 112 V C 2.117 178.219 176.094 0.014 0.000 1.053 112 V CA 2.314 64.573 62.300 -0.068 0.000 1.068 112 V CB -1.435 30.298 31.823 -0.150 0.000 0.689 112 V HN 0.613 nan 8.190 nan 0.000 0.462 113 H N 0.377 119.399 119.070 -0.080 0.000 2.321 113 H HA -0.059 4.498 4.556 0.002 0.000 0.300 113 H C 2.357 177.735 175.328 0.084 0.000 1.087 113 H CA 2.453 58.489 56.048 -0.021 0.000 1.319 113 H CB -0.153 29.526 29.762 -0.138 0.000 1.379 113 H HN 0.312 nan 8.280 nan 0.000 0.501 114 V N 0.692 120.715 119.914 0.180 0.000 2.255 114 V HA -0.267 3.855 4.120 0.002 0.000 0.247 114 V C 2.337 178.525 176.094 0.158 0.000 1.051 114 V CA 1.993 64.389 62.300 0.159 0.000 1.018 114 V CB -0.484 31.441 31.823 0.170 0.000 0.641 114 V HN 0.425 nan 8.190 nan 0.000 0.445 115 I N -1.203 119.474 120.570 0.178 0.000 2.335 115 I HA -0.291 3.880 4.170 0.002 0.000 0.251 115 I C 2.381 178.666 176.117 0.280 0.000 1.129 115 I CA 1.846 63.281 61.300 0.225 0.000 1.402 115 I CB -0.427 37.713 38.000 0.233 0.000 1.069 115 I HN 0.390 nan 8.210 nan 0.000 0.424 116 Y N 1.932 122.331 120.300 0.166 0.000 2.089 116 Y HA -0.293 4.259 4.550 0.002 0.000 0.282 116 Y C 2.766 178.609 175.900 -0.096 0.000 1.139 116 Y CA 2.213 60.360 58.100 0.078 0.000 1.123 116 Y CB -0.876 37.690 38.460 0.176 0.000 0.980 116 Y HN 0.063 nan 8.280 nan 0.000 0.493 117 T N 0.065 114.513 114.554 -0.177 0.000 2.635 117 T HA -0.245 4.106 4.350 0.002 0.000 0.267 117 T C 2.129 176.562 174.700 -0.446 0.000 1.040 117 T CA 2.128 63.943 62.100 -0.475 0.000 1.156 117 T CB -1.033 67.679 68.868 -0.259 0.000 0.863 117 T HN 0.225 nan 8.240 nan 0.000 0.430 118 V N 2.583 122.422 119.914 -0.126 0.000 2.317 118 V HA -0.270 3.851 4.120 0.002 0.000 0.251 118 V C 2.539 178.616 176.094 -0.029 0.000 1.065 118 V CA 1.950 64.259 62.300 0.015 0.000 1.049 118 V CB -0.688 31.233 31.823 0.164 0.000 0.651 118 V HN 0.603 nan 8.190 nan 0.000 0.450 119 N N -0.076 118.574 118.700 -0.083 0.000 2.080 119 N HA -0.117 4.624 4.740 0.002 0.000 0.189 119 N C 1.954 177.368 175.510 -0.160 0.000 1.036 119 N CA 1.528 54.523 53.050 -0.093 0.000 0.846 119 N CB -0.074 38.295 38.487 -0.195 0.000 1.015 119 N HN 0.430 nan 8.380 nan 0.000 0.423 120 L N -0.018 120.992 121.223 -0.356 0.000 2.042 120 L HA -0.204 4.137 4.340 0.002 0.000 0.210 120 L C 2.237 179.123 176.870 0.027 0.000 1.076 120 L CA 1.352 56.026 54.840 -0.277 0.000 0.749 120 L CB -0.639 41.146 42.059 -0.456 0.000 0.893 120 L HN 0.326 nan 8.230 nan 0.000 0.432 121 Y N -0.631 119.635 120.300 -0.056 0.000 2.243 121 Y HA -0.192 4.360 4.550 0.002 0.000 0.293 121 Y C 3.083 179.000 175.900 0.028 0.000 1.124 121 Y CA 0.627 58.758 58.100 0.052 0.000 1.159 121 Y CB -0.127 38.359 38.460 0.044 0.000 1.008 121 Y HN 0.299 nan 8.280 nan 0.000 0.527 122 S N 0.095 115.804 115.700 0.015 0.000 2.371 122 S HA -0.197 4.274 4.470 0.002 0.000 0.224 122 S C 2.132 176.610 174.600 -0.202 0.000 1.029 122 S CA 1.055 59.093 58.200 -0.271 0.000 0.978 122 S CB -0.984 61.793 63.200 -0.704 0.000 0.833 122 S HN 0.485 nan 8.310 nan 0.000 0.466 123 S N 2.036 117.675 115.700 -0.102 0.000 2.365 123 S HA -0.118 4.354 4.470 0.002 0.000 0.221 123 S C 1.914 176.354 174.600 -0.266 0.000 1.037 123 S CA 1.207 59.359 58.200 -0.080 0.000 1.060 123 S CB -1.379 61.887 63.200 0.111 0.000 0.974 123 S HN 0.420 nan 8.310 nan 0.000 0.427 124 V N 0.295 120.024 119.914 -0.308 0.000 2.343 124 V HA -0.118 4.003 4.120 0.002 0.000 0.247 124 V C 2.122 177.954 176.094 -0.438 0.000 1.051 124 V CA 1.906 63.867 62.300 -0.565 0.000 1.036 124 V CB -0.842 30.744 31.823 -0.397 0.000 0.654 124 V HN 0.695 nan 8.190 nan 0.000 0.451 125 W N -0.242 120.923 121.300 -0.226 0.000 2.402 125 W HA -0.016 4.645 4.660 0.002 0.000 0.286 125 W C 2.258 178.666 176.519 -0.186 0.000 1.221 125 W CA 1.261 58.505 57.345 -0.168 0.000 1.257 125 W CB -0.282 29.081 29.460 -0.162 0.000 1.120 125 W HN 0.199 nan 8.180 nan 0.000 0.551 126 I N 0.032 120.539 120.570 -0.104 0.000 2.208 126 I HA -0.358 3.814 4.170 0.002 0.000 0.245 126 I C 2.205 178.213 176.117 -0.182 0.000 1.097 126 I CA 1.257 62.449 61.300 -0.180 0.000 1.363 126 I CB -0.730 37.174 38.000 -0.160 0.000 1.051 126 I HN -0.048 nan 8.210 nan 0.000 0.413 127 L N 0.441 121.514 121.223 -0.250 0.000 2.042 127 L HA -0.233 4.108 4.340 0.002 0.000 0.210 127 L C 2.894 179.621 176.870 -0.238 0.000 1.076 127 L CA 1.420 56.092 54.840 -0.279 0.000 0.749 127 L CB -0.939 40.846 42.059 -0.457 0.000 0.893 127 L HN 0.271 nan 8.230 nan 0.000 0.432 128 A N -0.067 122.609 122.820 -0.239 0.000 1.908 128 A HA -0.225 4.096 4.320 0.002 0.000 0.218 128 A C 2.050 179.551 177.584 -0.138 0.000 1.181 128 A CA 1.577 53.477 52.037 -0.229 0.000 0.627 128 A CB -0.759 18.060 19.000 -0.302 0.000 0.818 128 A HN 0.288 nan 8.150 nan 0.000 0.445 129 F N -0.192 119.591 119.950 -0.279 0.000 2.186 129 F HA -0.048 4.480 4.527 0.002 0.000 0.299 129 F C 2.087 177.511 175.800 -0.627 0.000 1.090 129 F CA 1.054 58.811 58.000 -0.405 0.000 1.307 129 F CB -0.322 38.385 39.000 -0.489 0.000 1.019 129 F HN 0.114 nan 8.300 nan 0.000 0.489 130 I N -1.024 119.271 120.570 -0.460 0.000 2.264 130 I HA -0.335 3.836 4.170 0.002 0.000 0.248 130 I C 2.254 178.277 176.117 -0.157 0.000 1.111 130 I CA 1.357 62.461 61.300 -0.326 0.000 1.382 130 I CB -0.460 37.447 38.000 -0.155 0.000 1.060 130 I HN 0.001 nan 8.210 nan 0.000 0.418 131 S N 0.461 116.039 115.700 -0.203 0.000 2.395 131 S HA -0.000 4.471 4.470 0.002 0.000 0.225 131 S C 1.966 176.469 174.600 -0.160 0.000 1.027 131 S CA 0.767 58.819 58.200 -0.246 0.000 0.965 131 S CB -0.198 62.676 63.200 -0.543 0.000 0.812 131 S HN 0.339 nan 8.310 nan 0.000 0.482 132 L N 1.333 122.444 121.223 -0.186 0.000 2.042 132 L HA -0.207 4.134 4.340 0.002 0.000 0.210 132 L C 2.380 179.295 176.870 0.074 0.000 1.076 132 L CA 1.701 56.488 54.840 -0.088 0.000 0.749 132 L CB -0.565 41.332 42.059 -0.271 0.000 0.893 132 L HN 0.325 nan 8.230 nan 0.000 0.432 133 D N -0.405 120.001 120.400 0.011 0.000 2.144 133 D HA -0.213 4.429 4.640 0.002 0.000 0.200 133 D C 2.273 178.635 176.300 0.104 0.000 0.978 133 D CA 0.881 54.937 54.000 0.094 0.000 0.833 133 D CB 0.197 41.093 40.800 0.160 0.000 0.961 133 D HN -0.041 nan 8.370 nan 0.000 0.470 134 R N -1.128 119.436 120.500 0.107 0.000 2.073 134 R HA -0.121 4.220 4.340 0.002 0.000 0.229 134 R C 2.080 178.462 176.300 0.138 0.000 1.120 134 R CA 1.262 57.442 56.100 0.133 0.000 0.967 134 R CB -0.782 29.639 30.300 0.202 0.000 0.862 134 R HN 0.349 nan 8.270 nan 0.000 0.436 135 Y N 0.528 120.850 120.300 0.037 0.000 2.114 135 Y HA -0.233 4.319 4.550 0.003 0.000 0.282 135 Y C 1.540 177.470 175.900 0.049 0.000 1.165 135 Y CA 1.869 59.985 58.100 0.027 0.000 1.148 135 Y CB -0.390 38.061 38.460 -0.014 0.000 0.972 135 Y HN 0.044 nan 8.280 nan 0.000 0.504 136 L N 0.011 121.112 121.223 -0.203 0.000 2.005 136 L HA -0.194 4.148 4.340 0.002 0.000 0.207 136 L C 2.913 179.713 176.870 -0.117 0.000 1.072 136 L CA 1.203 55.906 54.840 -0.229 0.000 0.744 136 L CB -1.195 40.846 42.059 -0.030 0.000 0.895 136 L HN 0.394 nan 8.230 nan 0.000 0.433 137 A N 0.430 123.231 122.820 -0.031 0.000 1.903 137 A HA -0.252 4.070 4.320 0.002 0.000 0.219 137 A C 2.145 179.709 177.584 -0.034 0.000 1.191 137 A CA 2.201 54.235 52.037 -0.005 0.000 0.638 137 A CB -0.741 18.280 19.000 0.035 0.000 0.823 137 A HN 0.423 nan 8.150 nan 0.000 0.451 138 I N -1.225 119.314 120.570 -0.052 0.000 2.429 138 I HA -0.094 4.078 4.170 0.002 0.000 0.247 138 I C 2.204 178.244 176.117 -0.128 0.000 1.099 138 I CA 0.764 62.031 61.300 -0.056 0.000 1.422 138 I CB -0.226 37.767 38.000 -0.011 0.000 1.112 138 I HN 0.143 nan 8.210 nan 0.000 0.430 139 V N -0.301 119.461 119.914 -0.255 0.000 2.488 139 V HA -0.123 3.998 4.120 0.002 0.000 0.246 139 V C 0.913 176.661 176.094 -0.576 0.000 1.046 139 V CA 1.308 63.353 62.300 -0.426 0.000 1.053 139 V CB -0.599 30.866 31.823 -0.598 0.000 0.679 139 V HN 0.414 nan 8.190 nan 0.000 0.458 140 H N -0.549 118.372 119.070 -0.248 0.000 2.471 140 H HA 0.533 5.090 4.556 0.002 0.000 0.234 140 H C 1.269 176.527 175.328 -0.117 0.000 1.388 140 H CA 0.319 56.265 56.048 -0.170 0.000 1.198 140 H CB 0.764 30.403 29.762 -0.205 0.000 1.714 140 H HN 0.313 nan 8.280 nan 0.000 0.536 141 A N 0.557 123.371 122.820 -0.009 0.000 2.172 141 A HA -0.091 4.231 4.320 0.002 0.000 0.216 141 A C 2.108 179.698 177.584 0.010 0.000 1.154 141 A CA 1.236 53.272 52.037 -0.002 0.000 0.701 141 A CB -0.268 18.724 19.000 -0.013 0.000 0.789 141 A HN 0.342 nan 8.150 nan 0.000 0.465 142 T N 1.194 115.757 114.554 0.017 0.000 2.746 142 T HA -0.133 4.218 4.350 0.002 0.000 0.267 142 T C 0.781 175.487 174.700 0.010 0.000 1.039 142 T CA 1.631 63.739 62.100 0.013 0.000 1.142 142 T CB -0.424 68.455 68.868 0.019 0.000 0.866 142 T HN 0.917 nan 8.240 nan 0.000 0.444 143 N N 0.424 119.130 118.700 0.011 0.000 2.646 143 N HA 0.249 4.990 4.740 0.002 0.000 0.303 143 N C 0.772 176.281 175.510 -0.003 0.000 1.921 143 N CA -0.096 52.955 53.050 0.001 0.000 0.872 143 N CB 0.770 39.252 38.487 -0.009 0.000 1.327 143 N HN 0.176 nan 8.380 nan 0.000 0.492 144 S N -1.169 114.536 115.700 0.008 0.000 2.496 144 S HA -0.117 4.354 4.470 0.002 0.000 0.224 144 S C 1.630 176.240 174.600 0.017 0.000 0.996 144 S CA 0.178 58.383 58.200 0.009 0.000 0.927 144 S CB 0.045 63.252 63.200 0.013 0.000 0.774 144 S HN 0.393 nan 8.310 nan 0.000 0.524 145 Q N 1.712 121.523 119.800 0.018 0.000 2.083 145 Q HA -0.090 4.251 4.340 0.002 0.000 0.198 145 Q C 2.352 178.367 176.000 0.025 0.000 0.969 145 Q CA 1.398 57.217 55.803 0.025 0.000 0.838 145 Q CB -0.164 28.587 28.738 0.022 0.000 0.900 145 Q HN 0.654 nan 8.270 nan 0.000 0.436 146 R N 0.848 121.358 120.500 0.016 0.000 2.081 146 R HA -0.079 4.262 4.340 0.002 0.000 0.235 146 R C -0.922 175.394 176.300 0.026 0.000 1.131 146 R CA 1.782 57.893 56.100 0.018 0.000 0.960 146 R CB -1.254 29.051 30.300 0.009 0.000 0.856 146 R HN 0.297 nan 8.270 nan 0.000 0.436 147 P HA -0.008 nan 4.420 nan 0.000 0.219 147 P C 0.643 177.979 177.300 0.060 0.000 1.154 147 P CA 1.239 64.357 63.100 0.030 0.000 0.826 147 P CB -0.011 31.691 31.700 0.003 0.000 0.795 148 R N 0.084 120.623 120.500 0.064 0.000 2.081 148 R HA -0.039 4.302 4.340 0.002 0.000 0.235 148 R C 2.437 178.800 176.300 0.105 0.000 1.131 148 R CA 1.171 57.331 56.100 0.100 0.000 0.960 148 R CB -0.422 29.932 30.300 0.090 0.000 0.856 148 R HN 0.155 nan 8.270 nan 0.000 0.436 149 K N 0.626 121.069 120.400 0.072 0.000 2.057 149 K HA -0.147 4.174 4.320 0.002 0.000 0.207 149 K C 2.092 178.739 176.600 0.078 0.000 1.049 149 K CA 0.998 57.321 56.287 0.061 0.000 0.931 149 K CB -0.142 32.385 32.500 0.045 0.000 0.714 149 K HN 0.049 nan 8.250 nan 0.000 0.440 150 L N 1.501 122.774 121.223 0.082 0.000 2.046 150 L HA -0.158 4.183 4.340 0.002 0.000 0.208 150 L C 2.070 179.027 176.870 0.146 0.000 1.077 150 L CA 1.297 56.196 54.840 0.097 0.000 0.747 150 L CB -0.278 41.828 42.059 0.077 0.000 0.896 150 L HN 0.152 nan 8.230 nan 0.000 0.432 151 L N -0.574 120.753 121.223 0.173 0.000 2.013 151 L HA -0.243 4.098 4.340 0.002 0.000 0.212 151 L C 2.416 179.497 176.870 0.352 0.000 1.073 151 L CA 1.535 56.550 54.840 0.290 0.000 0.753 151 L CB -0.683 41.545 42.059 0.283 0.000 0.890 151 L HN 0.426 nan 8.230 nan 0.000 0.432 152 A N -1.405 121.539 122.820 0.206 0.000 2.218 152 A HA -0.042 4.279 4.320 0.002 0.000 0.209 152 A C 1.762 179.329 177.584 -0.029 0.000 1.168 152 A CA 0.689 52.694 52.037 -0.053 0.000 0.804 152 A CB -0.074 18.727 19.000 -0.332 0.000 0.834 152 A HN 0.498 nan 8.150 nan 0.000 0.482 153 E N -1.447 118.827 120.200 0.122 0.000 2.474 153 E HA 0.087 4.438 4.350 0.002 0.000 0.215 153 E C 1.017 177.811 176.600 0.323 0.000 0.867 153 E CA 0.045 56.576 56.400 0.219 0.000 1.135 153 E CB 0.428 30.206 29.700 0.131 0.000 1.147 153 E HN 0.262 nan 8.360 nan 0.000 0.534 154 K N 0.066 120.628 120.400 0.270 0.000 2.424 154 K HA 0.174 4.495 4.320 0.002 0.000 0.200 154 K C 1.878 178.651 176.600 0.289 0.000 1.279 154 K CA 0.416 56.857 56.287 0.257 0.000 0.918 154 K CB 0.583 33.175 32.500 0.154 0.000 1.287 154 K HN -0.093 nan 8.250 nan 0.000 0.502 155 V N 1.658 121.732 119.914 0.266 0.000 2.878 155 V HA -0.049 4.072 4.120 0.002 0.000 0.250 155 V C 2.237 178.450 176.094 0.198 0.000 1.075 155 V CA 0.800 63.268 62.300 0.279 0.000 1.096 155 V CB 0.090 32.122 31.823 0.348 0.000 0.724 155 V HN 0.002 nan 8.190 nan 0.000 0.467 156 V N -0.204 119.732 119.914 0.037 0.000 2.469 156 V HA -0.288 3.833 4.120 0.002 0.000 0.251 156 V C 2.192 178.123 176.094 -0.272 0.000 1.064 156 V CA 2.221 64.241 62.300 -0.466 0.000 1.066 156 V CB -0.399 31.073 31.823 -0.583 0.000 0.667 156 V HN 0.625 nan 8.190 nan 0.000 0.461 157 Y N -0.975 119.395 120.300 0.116 0.000 2.220 157 Y HA -0.042 4.509 4.550 0.002 0.000 0.291 157 Y C 2.463 178.436 175.900 0.121 0.000 1.129 157 Y CA 1.764 59.997 58.100 0.222 0.000 1.161 157 Y CB -0.405 38.158 38.460 0.171 0.000 0.997 157 Y HN 0.092 nan 8.280 nan 0.000 0.522 158 V N -0.922 119.124 119.914 0.220 0.000 2.788 158 V HA -0.058 4.063 4.120 0.002 0.000 0.251 158 V C 2.200 178.320 176.094 0.042 0.000 1.068 158 V CA 1.759 64.133 62.300 0.124 0.000 1.090 158 V CB -0.591 31.302 31.823 0.116 0.000 0.710 158 V HN 0.541 nan 8.190 nan 0.000 0.467 159 G N -1.235 107.573 108.800 0.013 0.000 2.595 159 G HA2 0.041 4.002 3.960 0.002 0.000 0.213 159 G HA3 0.041 4.002 3.960 0.002 0.000 0.213 159 G C 1.286 176.039 174.900 -0.245 0.000 1.141 159 G CA 1.142 46.215 45.100 -0.044 0.000 0.806 159 G HN 0.352 nan 8.290 nan 0.000 0.530 160 V N -1.346 118.378 119.914 -0.318 0.000 3.097 160 V HA 0.193 4.314 4.120 0.002 0.000 0.223 160 V C 2.099 178.034 176.094 -0.265 0.000 1.199 160 V CA 0.401 62.447 62.300 -0.424 0.000 1.260 160 V CB -0.660 30.756 31.823 -0.679 0.000 1.155 160 V HN 0.405 nan 8.190 nan 0.000 0.509 161 W N 0.476 121.720 121.300 -0.094 0.000 2.355 161 W HA -0.064 4.597 4.660 0.002 0.000 0.309 161 W C 2.291 178.822 176.519 0.020 0.000 1.206 161 W CA 1.304 58.648 57.345 -0.003 0.000 1.284 161 W CB -0.273 29.219 29.460 0.052 0.000 1.145 161 W HN 0.150 nan 8.180 nan 0.000 0.502 162 I N 0.063 120.784 120.570 0.251 0.000 2.202 162 I HA -0.221 3.951 4.170 0.002 0.000 0.242 162 I C -0.674 175.494 176.117 0.085 0.000 1.091 162 I CA 1.142 62.537 61.300 0.157 0.000 1.368 162 I CB -1.745 36.327 38.000 0.120 0.000 1.058 162 I HN -0.150 nan 8.210 nan 0.000 0.410 163 P HA -0.181 nan 4.420 nan 0.000 0.215 163 P C 1.515 178.829 177.300 0.023 0.000 1.153 163 P CA 1.861 64.944 63.100 -0.028 0.000 0.853 163 P CB -0.088 31.524 31.700 -0.147 0.000 0.788 164 A N -0.624 122.218 122.820 0.037 0.000 1.917 164 A HA -0.213 4.109 4.320 0.002 0.000 0.219 164 A C 2.284 179.977 177.584 0.181 0.000 1.182 164 A CA 1.728 53.853 52.037 0.148 0.000 0.633 164 A CB -1.727 17.329 19.000 0.093 0.000 0.819 164 A HN 0.143 nan 8.150 nan 0.000 0.448 165 L N -0.952 120.370 121.223 0.164 0.000 2.072 165 L HA -0.094 4.247 4.340 0.002 0.000 0.205 165 L C 2.556 179.484 176.870 0.095 0.000 1.079 165 L CA 0.789 55.711 54.840 0.137 0.000 0.752 165 L CB -0.314 41.825 42.059 0.134 0.000 0.906 165 L HN 0.385 nan 8.230 nan 0.000 0.436 166 L N -0.576 120.696 121.223 0.081 0.000 2.042 166 L HA -0.257 4.084 4.340 0.002 0.000 0.210 166 L C 2.343 179.268 176.870 0.092 0.000 1.076 166 L CA 1.243 56.120 54.840 0.062 0.000 0.749 166 L CB -0.391 41.695 42.059 0.044 0.000 0.893 166 L HN 0.301 nan 8.230 nan 0.000 0.432 167 L N -0.417 120.885 121.223 0.132 0.000 2.456 167 L HA -0.134 4.207 4.340 0.002 0.000 0.224 167 L C 2.501 179.495 176.870 0.207 0.000 1.148 167 L CA 1.317 56.277 54.840 0.200 0.000 0.825 167 L CB -0.732 41.505 42.059 0.296 0.000 0.937 167 L HN 0.458 nan 8.230 nan 0.000 0.450 168 T N -3.637 111.008 114.554 0.152 0.000 3.088 168 T HA 0.010 4.361 4.350 0.002 0.000 0.259 168 T C 1.681 176.458 174.700 0.128 0.000 1.122 168 T CA 0.124 62.297 62.100 0.122 0.000 1.095 168 T CB -0.246 68.690 68.868 0.113 0.000 0.930 168 T HN 0.152 nan 8.240 nan 0.000 0.508 169 I N 2.230 122.863 120.570 0.106 0.000 2.185 169 I HA -0.107 4.064 4.170 0.002 0.000 0.246 169 I C -0.599 175.610 176.117 0.153 0.000 1.088 169 I CA 1.378 62.740 61.300 0.102 0.000 1.347 169 I CB -0.905 37.131 38.000 0.060 0.000 1.041 169 I HN 0.241 nan 8.210 nan 0.000 0.415 170 P HA -0.157 nan 4.420 nan 0.000 0.215 170 P C 1.009 178.349 177.300 0.066 0.000 1.153 170 P CA 1.598 64.782 63.100 0.140 0.000 0.853 170 P CB -0.034 31.661 31.700 -0.009 0.000 0.788 171 D N -1.928 118.481 120.400 0.014 0.000 2.117 171 D HA -0.148 4.494 4.640 0.002 0.000 0.197 171 D C 1.596 177.868 176.300 -0.048 0.000 0.987 171 D CA 0.859 54.833 54.000 -0.043 0.000 0.829 171 D CB -0.791 40.025 40.800 0.026 0.000 0.961 171 D HN 0.052 nan 8.370 nan 0.000 0.460 172 F N 0.583 120.478 119.950 -0.092 0.000 2.161 172 F HA -0.126 4.403 4.527 0.002 0.000 0.300 172 F C 1.869 177.576 175.800 -0.154 0.000 1.089 172 F CA 1.202 59.139 58.000 -0.105 0.000 1.282 172 F CB 0.040 39.004 39.000 -0.059 0.000 1.010 172 F HN -0.035 nan 8.300 nan 0.000 0.485 173 I N -1.617 118.922 120.570 -0.052 0.000 2.339 173 I HA -0.231 3.941 4.170 0.002 0.000 0.245 173 I C 1.590 177.423 176.117 -0.475 0.000 1.096 173 I CA 1.127 62.239 61.300 -0.314 0.000 1.408 173 I CB -0.356 37.319 38.000 -0.542 0.000 1.092 173 I HN -0.015 nan 8.210 nan 0.000 0.423 174 F N 0.929 120.769 119.950 -0.183 0.000 2.746 174 F HA 0.322 4.850 4.527 0.002 0.000 0.297 174 F C 1.387 176.957 175.800 -0.383 0.000 1.113 174 F CA -0.400 57.427 58.000 -0.289 0.000 1.367 174 F CB -0.070 38.706 39.000 -0.374 0.000 1.111 174 F HN -0.149 nan 8.300 nan 0.000 0.590 175 A N 1.485 124.128 122.820 -0.294 0.000 2.451 175 A HA 0.397 4.718 4.320 0.002 0.000 0.266 175 A C -0.043 177.375 177.584 -0.276 0.000 1.119 175 A CA 0.060 51.822 52.037 -0.459 0.000 0.786 175 A CB -0.185 18.416 19.000 -0.666 0.000 1.061 175 A HN 0.317 nan 8.150 nan 0.000 0.503 176 N N 0.684 119.298 118.700 -0.144 0.000 2.708 176 N HA 0.412 5.153 4.740 0.002 0.000 0.257 176 N C -1.583 173.910 175.510 -0.028 0.000 1.373 176 N CA -0.494 52.508 53.050 -0.081 0.000 0.843 176 N CB 2.064 40.517 38.487 -0.055 0.000 1.503 176 N HN 0.284 nan 8.380 nan 0.000 0.504 177 V N 0.654 120.531 119.914 -0.062 0.000 2.427 177 V HA 0.532 4.653 4.120 0.002 0.000 0.286 177 V C 0.336 176.407 176.094 -0.039 0.000 1.034 177 V CA -0.308 61.978 62.300 -0.022 0.000 0.893 177 V CB 1.375 33.222 31.823 0.039 0.000 0.982 177 V HN 0.693 nan 8.190 nan 0.000 0.452 178 S N 3.077 118.755 115.700 -0.036 0.000 2.638 178 S HA 0.541 5.012 4.470 0.002 0.000 0.302 178 S C -0.696 173.900 174.600 -0.007 0.000 1.096 178 S CA -0.801 57.317 58.200 -0.137 0.000 0.953 178 S CB 1.771 64.702 63.200 -0.448 0.000 1.107 178 S HN 0.766 nan 8.310 nan 0.000 0.503 179 E N 0.985 121.132 120.200 -0.088 0.000 2.227 179 E HA 0.595 4.947 4.350 0.002 0.000 0.282 179 E C -0.766 175.740 176.600 -0.155 0.000 1.015 179 E CA -0.541 55.733 56.400 -0.211 0.000 0.823 179 E CB 1.577 31.141 29.700 -0.227 0.000 1.081 179 E HN 0.651 nan 8.360 nan 0.000 0.396 180 A N 3.455 126.183 122.820 -0.155 0.000 2.480 180 A HA 0.261 4.582 4.320 0.002 0.000 0.289 180 A C -0.711 176.826 177.584 -0.078 0.000 1.044 180 A CA -0.799 51.187 52.037 -0.085 0.000 0.761 180 A CB 0.798 19.784 19.000 -0.023 0.000 1.289 180 A HN 0.717 nan 8.150 nan 0.000 0.401 181 D N 2.562 122.918 120.400 -0.073 0.000 2.704 181 D HA -0.167 4.474 4.640 0.002 0.000 0.232 181 D C -0.383 175.878 176.300 -0.066 0.000 1.183 181 D CA 2.093 56.055 54.000 -0.062 0.000 0.647 181 D CB -0.648 40.127 40.800 -0.042 0.000 1.013 181 D HN 0.782 nan 8.370 nan 0.000 0.415 182 D N -1.734 118.608 120.400 -0.096 0.000 3.051 182 D HA -0.213 4.429 4.640 0.002 0.000 0.218 182 D C 0.684 176.919 176.300 -0.108 0.000 1.129 182 D CA 1.589 55.530 54.000 -0.098 0.000 0.868 182 D CB -0.962 39.805 40.800 -0.055 0.000 1.100 182 D HN 0.816 nan 8.370 nan 0.000 0.429 183 R N -1.739 118.670 120.500 -0.152 0.000 2.728 183 R HA 0.576 4.917 4.340 0.002 0.000 0.274 183 R C -1.498 174.698 176.300 -0.173 0.000 1.030 183 R CA -0.959 55.069 56.100 -0.120 0.000 0.876 183 R CB 0.686 30.969 30.300 -0.028 0.000 1.259 183 R HN -0.116 nan 8.270 nan 0.000 0.468 184 Y N 1.272 121.564 120.300 -0.014 0.000 2.335 184 Y HA 0.410 4.962 4.550 0.002 0.000 0.339 184 Y C 0.123 176.059 175.900 0.061 0.000 0.987 184 Y CA -1.078 57.039 58.100 0.028 0.000 1.140 184 Y CB 1.384 39.884 38.460 0.067 0.000 1.173 184 Y HN 0.258 nan 8.280 nan 0.000 0.486 185 I N 3.524 124.195 120.570 0.168 0.000 2.342 185 I HA 0.076 4.247 4.170 0.002 0.000 0.291 185 I C 0.144 176.274 176.117 0.022 0.000 1.010 185 I CA -0.895 60.469 61.300 0.106 0.000 1.308 185 I CB 0.694 38.779 38.000 0.142 0.000 1.400 185 I HN 0.658 nan 8.210 nan 0.000 0.488 186 c N 7.263 125.716 118.600 -0.246 0.000 2.285 186 c HA 0.689 5.260 4.570 0.002 0.000 0.335 186 c C -0.223 173.675 174.090 -0.320 0.000 1.267 186 c CA 0.164 56.175 56.329 -0.530 0.000 1.762 186 c CB -0.158 41.402 42.510 -1.583 0.000 2.365 186 c HN 0.895 nan 8.230 nan 0.000 0.527 187 D N 2.703 122.979 120.400 -0.207 0.000 2.671 187 D HA 0.350 4.992 4.640 0.002 0.000 0.273 187 D C -1.241 174.685 176.300 -0.624 0.000 1.264 187 D CA -0.579 53.185 54.000 -0.393 0.000 0.788 187 D CB 1.343 41.773 40.800 -0.616 0.000 1.324 187 D HN 0.591 nan 8.370 nan 0.000 0.424 188 R N 0.710 120.782 120.500 -0.712 0.000 2.267 188 R HA 0.454 4.796 4.340 0.002 0.000 0.319 188 R C -0.827 174.834 176.300 -1.065 0.000 1.067 188 R CA 0.147 55.776 56.100 -0.784 0.000 0.936 188 R CB 0.098 30.018 30.300 -0.633 0.000 1.006 188 R HN 0.133 nan 8.270 nan 0.000 0.452 189 F N 3.735 123.299 119.950 -0.643 0.000 2.467 189 F HA 0.400 4.928 4.527 0.002 0.000 0.336 189 F C -0.523 174.952 175.800 -0.541 0.000 1.123 189 F CA -0.620 57.091 58.000 -0.480 0.000 0.964 189 F CB 1.037 39.899 39.000 -0.229 0.000 1.136 189 F HN 0.374 nan 8.300 nan 0.000 0.447 190 Y N 2.308 122.594 120.300 -0.023 0.000 2.598 190 Y HA 0.445 4.996 4.550 0.002 0.000 0.340 190 Y C -1.379 174.439 175.900 -0.137 0.000 1.038 190 Y CA -2.328 55.585 58.100 -0.312 0.000 1.100 190 Y CB 0.301 38.514 38.460 -0.410 0.000 1.281 190 Y HN 0.357 nan 8.280 nan 0.000 0.488 191 P HA -0.118 nan 4.420 nan 0.000 0.216 191 P C -0.787 176.624 177.300 0.185 0.000 1.150 191 P CA 1.697 64.848 63.100 0.085 0.000 0.843 191 P CB 0.174 31.945 31.700 0.118 0.000 0.787 192 N N -3.396 115.475 118.700 0.285 0.000 3.179 192 N HA 0.049 4.791 4.740 0.002 0.000 0.250 192 N C -0.072 175.585 175.510 0.244 0.000 1.507 192 N CA -0.565 52.634 53.050 0.248 0.000 0.883 192 N CB -0.238 38.375 38.487 0.210 0.000 1.435 192 N HN -0.252 nan 8.380 nan 0.000 0.532 193 D N -0.293 120.200 120.400 0.155 0.000 2.263 193 D HA -0.044 4.597 4.640 0.002 0.000 0.208 193 D C 1.158 177.492 176.300 0.056 0.000 0.971 193 D CA 1.140 55.207 54.000 0.112 0.000 0.867 193 D CB 0.011 40.860 40.800 0.082 0.000 0.929 193 D HN 0.511 nan 8.370 nan 0.000 0.492 194 L N -0.974 120.262 121.223 0.022 0.000 2.079 194 L HA -0.100 4.241 4.340 0.002 0.000 0.210 194 L C 2.046 178.780 176.870 -0.228 0.000 1.081 194 L CA 1.001 55.778 54.840 -0.105 0.000 0.752 194 L CB -0.630 41.335 42.059 -0.158 0.000 0.896 194 L HN 0.209 nan 8.230 nan 0.000 0.433 195 W N -0.437 120.682 121.300 -0.300 0.000 2.342 195 W HA -0.186 4.475 4.660 0.002 0.000 0.297 195 W C 2.484 178.594 176.519 -0.682 0.000 1.213 195 W CA 1.042 58.015 57.345 -0.619 0.000 1.251 195 W CB -0.741 28.227 29.460 -0.821 0.000 1.136 195 W HN -0.146 nan 8.180 nan 0.000 0.526 196 V N -0.252 119.554 119.914 -0.179 0.000 2.392 196 V HA -0.314 3.808 4.120 0.002 0.000 0.249 196 V C 1.843 177.937 176.094 0.001 0.000 1.059 196 V CA 1.711 64.000 62.300 -0.019 0.000 1.051 196 V CB -1.180 30.700 31.823 0.094 0.000 0.658 196 V HN 0.071 nan 8.190 nan 0.000 0.455 197 V N -0.858 119.022 119.914 -0.056 0.000 2.488 197 V HA -0.143 3.978 4.120 0.002 0.000 0.246 197 V C 2.368 178.434 176.094 -0.046 0.000 1.046 197 V CA 1.311 63.588 62.300 -0.037 0.000 1.053 197 V CB -0.094 31.692 31.823 -0.062 0.000 0.679 197 V HN 0.390 nan 8.190 nan 0.000 0.458 198 V N -0.356 119.429 119.914 -0.214 0.000 2.295 198 V HA -0.231 3.891 4.120 0.002 0.000 0.246 198 V C 2.214 178.192 176.094 -0.193 0.000 1.049 198 V CA 2.245 64.358 62.300 -0.311 0.000 1.024 198 V CB -0.645 30.772 31.823 -0.676 0.000 0.648 198 V HN 0.471 nan 8.190 nan 0.000 0.447 199 F N -0.217 119.757 119.950 0.038 0.000 2.293 199 F HA -0.050 4.478 4.527 0.002 0.000 0.297 199 F C 2.423 178.359 175.800 0.227 0.000 1.089 199 F CA 1.201 59.285 58.000 0.140 0.000 1.377 199 F CB -0.828 38.256 39.000 0.140 0.000 1.051 199 F HN 0.152 nan 8.300 nan 0.000 0.511 200 Q N 0.277 120.292 119.800 0.358 0.000 2.050 200 Q HA -0.212 4.129 4.340 0.002 0.000 0.202 200 Q C 2.246 178.471 176.000 0.375 0.000 0.980 200 Q CA 1.796 57.814 55.803 0.358 0.000 0.840 200 Q CB -0.898 27.985 28.738 0.243 0.000 0.898 200 Q HN 0.494 nan 8.270 nan 0.000 0.424 201 F N 0.235 120.245 119.950 0.100 0.000 2.126 201 F HA -0.281 4.248 4.527 0.002 0.000 0.299 201 F C 2.430 178.278 175.800 0.079 0.000 1.096 201 F CA 1.376 59.406 58.000 0.051 0.000 1.255 201 F CB 0.044 39.039 39.000 -0.008 0.000 0.997 201 F HN 0.298 nan 8.300 nan 0.000 0.479 202 Q N -0.280 119.635 119.800 0.193 0.000 2.084 202 Q HA -0.308 4.033 4.340 0.002 0.000 0.202 202 Q C 2.266 178.402 176.000 0.227 0.000 0.978 202 Q CA 1.828 57.703 55.803 0.120 0.000 0.844 202 Q CB -0.578 28.301 28.738 0.236 0.000 0.898 202 Q HN 0.618 nan 8.270 nan 0.000 0.426 203 H N 0.054 119.292 119.070 0.280 0.000 2.319 203 H HA -0.128 4.429 4.556 0.002 0.000 0.299 203 H C 2.009 177.467 175.328 0.217 0.000 1.092 203 H CA 1.638 57.886 56.048 0.333 0.000 1.302 203 H CB -0.055 29.919 29.762 0.353 0.000 1.373 203 H HN 0.317 nan 8.280 nan 0.000 0.497 204 I N 0.237 120.808 120.570 0.003 0.000 2.454 204 I HA -0.262 3.909 4.170 0.002 0.000 0.254 204 I C 2.532 178.607 176.117 -0.070 0.000 1.156 204 I CA 0.817 62.059 61.300 -0.097 0.000 1.433 204 I CB -0.107 37.936 38.000 0.071 0.000 1.082 204 I HN 0.327 nan 8.210 nan 0.000 0.432 205 M N 0.151 119.720 119.600 -0.052 0.000 2.155 205 M HA -0.050 4.431 4.480 0.002 0.000 0.258 205 M C 2.120 178.373 176.300 -0.080 0.000 1.092 205 M CA 1.718 56.946 55.300 -0.119 0.000 1.153 205 M CB -0.203 32.236 32.600 -0.268 0.000 1.316 205 M HN -0.071 nan 8.290 nan 0.000 0.431 206 V N -0.055 119.804 119.914 -0.092 0.000 2.626 206 V HA -0.105 4.016 4.120 0.002 0.000 0.252 206 V C 2.269 178.353 176.094 -0.016 0.000 1.067 206 V CA 1.773 64.007 62.300 -0.110 0.000 1.081 206 V CB -1.793 29.698 31.823 -0.552 0.000 0.686 206 V HN 0.677 nan 8.190 nan 0.000 0.468 207 G N -0.601 108.194 108.800 -0.009 0.000 2.439 207 G HA2 -0.077 3.884 3.960 0.002 0.000 0.212 207 G HA3 -0.077 3.884 3.960 0.002 0.000 0.212 207 G C 1.383 176.234 174.900 -0.082 0.000 1.199 207 G CA 1.077 46.208 45.100 0.051 0.000 0.807 207 G HN 0.421 nan 8.290 nan 0.000 0.537 208 L N -0.819 120.322 121.223 -0.137 0.000 2.653 208 L HA 0.524 4.866 4.340 0.002 0.000 0.230 208 L C 2.239 179.014 176.870 -0.159 0.000 1.055 208 L CA 0.523 55.284 54.840 -0.130 0.000 0.880 208 L CB 0.084 41.960 42.059 -0.305 0.000 1.195 208 L HN 0.163 nan 8.230 nan 0.000 0.492 209 I N -0.985 119.494 120.570 -0.153 0.000 2.339 209 I HA -0.167 4.004 4.170 0.002 0.000 0.245 209 I C 2.078 178.112 176.117 -0.139 0.000 1.096 209 I CA 1.011 62.230 61.300 -0.136 0.000 1.408 209 I CB -0.017 37.930 38.000 -0.088 0.000 1.092 209 I HN 0.158 nan 8.210 nan 0.000 0.423 210 L N 0.999 122.158 121.223 -0.107 0.000 2.027 210 L HA -0.086 4.255 4.340 0.002 0.000 0.206 210 L C -0.339 176.364 176.870 -0.279 0.000 1.074 210 L CA 1.296 56.097 54.840 -0.064 0.000 0.745 210 L CB -1.945 40.204 42.059 0.150 0.000 0.898 210 L HN 0.190 nan 8.230 nan 0.000 0.433 211 P HA -0.116 nan 4.420 nan 0.000 0.219 211 P C 1.599 178.592 177.300 -0.512 0.000 1.150 211 P CA 1.787 64.277 63.100 -1.018 0.000 0.814 211 P CB -0.163 30.798 31.700 -1.232 0.000 0.787 212 G N 0.537 109.138 108.800 -0.332 0.000 2.418 212 G HA2 -0.224 3.737 3.960 0.002 0.000 0.217 212 G HA3 -0.224 3.737 3.960 0.002 0.000 0.217 212 G C 1.661 176.399 174.900 -0.270 0.000 1.158 212 G CA 0.494 45.410 45.100 -0.306 0.000 0.771 212 G HN 0.231 nan 8.290 nan 0.000 0.545 213 I N 0.224 120.658 120.570 -0.227 0.000 2.264 213 I HA -0.165 4.006 4.170 0.002 0.000 0.248 213 I C 2.702 178.698 176.117 -0.201 0.000 1.111 213 I CA 0.574 61.767 61.300 -0.179 0.000 1.382 213 I CB -0.077 37.846 38.000 -0.127 0.000 1.060 213 I HN 0.052 nan 8.210 nan 0.000 0.418 214 V N 0.624 120.390 119.914 -0.247 0.000 2.407 214 V HA -0.200 3.922 4.120 0.002 0.000 0.245 214 V C 2.227 178.132 176.094 -0.315 0.000 1.041 214 V CA 1.480 63.627 62.300 -0.254 0.000 1.040 214 V CB -0.206 31.474 31.823 -0.238 0.000 0.671 214 V HN 0.282 nan 8.190 nan 0.000 0.455 215 I N -0.200 120.160 120.570 -0.349 0.000 2.099 215 I HA -0.288 3.883 4.170 0.002 0.000 0.239 215 I C 2.338 178.215 176.117 -0.400 0.000 1.066 215 I CA 1.818 62.866 61.300 -0.421 0.000 1.324 215 I CB -0.353 37.458 38.000 -0.314 0.000 1.037 215 I HN 0.235 nan 8.210 nan 0.000 0.401 216 L N -0.185 120.891 121.223 -0.246 0.000 2.046 216 L HA -0.208 4.133 4.340 0.002 0.000 0.208 216 L C 2.685 179.486 176.870 -0.116 0.000 1.077 216 L CA 1.215 55.978 54.840 -0.129 0.000 0.747 216 L CB -0.632 41.357 42.059 -0.116 0.000 0.896 216 L HN 0.194 nan 8.230 nan 0.000 0.432 217 S N -0.799 114.803 115.700 -0.163 0.000 2.359 217 S HA -0.217 4.255 4.470 0.002 0.000 0.224 217 S C 2.172 176.670 174.600 -0.170 0.000 1.035 217 S CA 1.586 59.694 58.200 -0.152 0.000 1.018 217 S CB -0.581 62.514 63.200 -0.174 0.000 0.876 217 S HN 0.459 nan 8.310 nan 0.000 0.448 218 C N 0.548 119.693 119.300 -0.259 0.000 2.413 218 C HA -0.092 4.369 4.460 0.002 0.000 0.276 218 C C 2.458 177.441 174.990 -0.012 0.000 1.236 218 C CA 0.394 59.261 59.018 -0.253 0.000 1.735 218 C CB -1.509 26.020 27.740 -0.351 0.000 2.031 218 C HN 0.567 nan 8.230 nan 0.000 0.474 219 Y N -0.137 120.131 120.300 -0.053 0.000 2.373 219 Y HA -0.098 4.453 4.550 0.002 0.000 0.293 219 Y C 2.764 178.646 175.900 -0.029 0.000 1.129 219 Y CA 0.626 58.709 58.100 -0.028 0.000 1.226 219 Y CB -1.442 36.997 38.460 -0.036 0.000 1.000 219 Y HN 0.510 nan 8.280 nan 0.000 0.549 220 C N 0.165 119.523 119.300 0.097 0.000 2.425 220 C HA -0.151 4.310 4.460 0.002 0.000 0.277 220 C C 2.556 177.569 174.990 0.038 0.000 1.280 220 C CA 0.878 59.918 59.018 0.037 0.000 1.744 220 C CB -1.394 26.341 27.740 -0.008 0.000 1.989 220 C HN 0.487 nan 8.230 nan 0.000 0.491 221 I N 0.550 121.145 120.570 0.042 0.000 2.439 221 I HA -0.083 4.088 4.170 0.002 0.000 0.251 221 I C 2.396 178.584 176.117 0.119 0.000 1.139 221 I CA 1.306 62.653 61.300 0.078 0.000 1.438 221 I CB -0.375 37.681 38.000 0.093 0.000 1.085 221 I HN 0.310 nan 8.210 nan 0.000 0.427 222 I N 1.019 121.680 120.570 0.152 0.000 2.090 222 I HA -0.288 3.883 4.170 0.002 0.000 0.236 222 I C 2.601 178.753 176.117 0.059 0.000 1.064 222 I CA 1.809 63.185 61.300 0.127 0.000 1.324 222 I CB -0.437 37.667 38.000 0.173 0.000 1.044 222 I HN 0.241 nan 8.210 nan 0.000 0.399 223 I N -1.093 119.502 120.570 0.042 0.000 2.315 223 I HA -0.279 3.892 4.170 0.002 0.000 0.251 223 I C 2.473 178.585 176.117 -0.009 0.000 1.125 223 I CA 1.950 63.250 61.300 -0.000 0.000 1.392 223 I CB -1.031 36.961 38.000 -0.013 0.000 1.065 223 I HN 0.132 nan 8.210 nan 0.000 0.424 224 S N 0.641 116.345 115.700 0.007 0.000 2.406 224 S HA -0.179 4.292 4.470 0.002 0.000 0.228 224 S C 2.076 176.696 174.600 0.033 0.000 1.020 224 S CA 1.339 59.536 58.200 -0.005 0.000 0.965 224 S CB -0.397 62.812 63.200 0.015 0.000 0.798 224 S HN 0.567 nan 8.310 nan 0.000 0.488 225 K N 1.453 121.889 120.400 0.060 0.000 2.097 225 K HA 0.128 4.449 4.320 0.002 0.000 0.205 225 K C 1.616 178.254 176.600 0.063 0.000 1.050 225 K CA 1.356 57.693 56.287 0.083 0.000 0.938 225 K CB -0.601 31.910 32.500 0.017 0.000 0.718 225 K HN 0.473 nan 8.250 nan 0.000 0.442 226 L N 1.018 122.248 121.223 0.013 0.000 2.610 226 L HA 0.033 4.374 4.340 0.002 0.000 0.232 226 L C 1.583 178.429 176.870 -0.040 0.000 1.149 226 L CA 0.770 55.601 54.840 -0.016 0.000 0.872 226 L CB -0.343 41.697 42.059 -0.031 0.000 0.992 226 L HN 0.282 nan 8.230 nan 0.000 0.447 227 S N -3.018 112.644 115.700 -0.062 0.000 2.511 227 S HA 0.003 4.475 4.470 0.002 0.000 0.214 227 S C 1.699 176.183 174.600 -0.193 0.000 0.997 227 S CA -0.290 57.826 58.200 -0.140 0.000 0.908 227 S CB -0.171 62.916 63.200 -0.189 0.000 0.803 227 S HN 0.413 nan 8.310 nan 0.000 0.504 228 H N 2.513 121.554 119.070 -0.049 0.000 2.403 228 H HA 0.092 4.649 4.556 0.003 0.000 0.298 228 H C 2.215 177.509 175.328 -0.057 0.000 1.059 228 H CA 1.245 57.263 56.048 -0.049 0.000 1.363 228 H CB -0.244 29.497 29.762 -0.036 0.000 1.410 228 H HN 0.656 nan 8.280 nan 0.000 0.528 229 S N 1.225 116.957 115.700 0.052 0.000 2.280 229 S HA -0.096 4.376 4.470 0.002 0.000 0.204 229 S C 0.944 175.508 174.600 -0.059 0.000 1.402 229 S CA -0.314 57.892 58.200 0.010 0.000 1.162 229 S CB -0.100 63.094 63.200 -0.011 0.000 0.673 229 S HN 0.217 nan 8.310 nan 0.000 0.428 230 K N 1.425 121.856 120.400 0.052 0.000 3.628 230 K HA -0.201 4.120 4.320 0.002 0.000 0.265 230 K C 1.323 177.973 176.600 0.083 0.000 0.788 230 K CA 0.322 56.648 56.287 0.065 0.000 0.565 230 K CB -1.862 30.673 32.500 0.059 0.000 1.709 230 K HN 0.726 nan 8.250 nan 0.000 0.455 231 G N 0.402 109.258 108.800 0.092 0.000 2.469 231 G HA2 -0.331 3.630 3.960 0.002 0.000 0.219 231 G HA3 -0.331 3.630 3.960 0.002 0.000 0.219 231 G C 1.170 176.135 174.900 0.108 0.000 1.150 231 G CA 1.152 46.313 45.100 0.103 0.000 0.763 231 G HN 0.658 nan 8.290 nan 0.000 0.561 232 H N 0.268 119.370 119.070 0.053 0.000 2.290 232 H HA -0.102 4.455 4.556 0.002 0.000 0.298 232 H C 2.441 177.799 175.328 0.050 0.000 1.087 232 H CA 2.030 58.107 56.048 0.048 0.000 1.291 232 H CB -0.214 29.571 29.762 0.038 0.000 1.369 232 H HN 0.460 nan 8.280 nan 0.000 0.492 233 Q N 0.545 120.347 119.800 0.004 0.000 2.079 233 Q HA -0.115 4.226 4.340 0.002 0.000 0.200 233 Q C 2.388 178.362 176.000 -0.042 0.000 0.974 233 Q CA 1.191 56.975 55.803 -0.032 0.000 0.840 233 Q CB 0.153 28.938 28.738 0.079 0.000 0.898 233 Q HN 0.456 nan 8.270 nan 0.000 0.430 234 K N 0.016 120.415 120.400 -0.001 0.000 2.147 234 K HA -0.142 4.179 4.320 0.002 0.000 0.205 234 K C 2.217 178.811 176.600 -0.010 0.000 1.049 234 K CA 0.686 56.978 56.287 0.009 0.000 0.936 234 K CB -0.112 32.404 32.500 0.026 0.000 0.722 234 K HN 0.101 nan 8.250 nan 0.000 0.446 235 R N 1.792 122.273 120.500 -0.032 0.000 2.062 235 R HA -0.112 4.230 4.340 0.002 0.000 0.231 235 R C 1.820 178.086 176.300 -0.056 0.000 1.136 235 R CA 1.592 57.673 56.100 -0.032 0.000 0.948 235 R CB 0.003 30.290 30.300 -0.023 0.000 0.845 235 R HN 0.097 nan 8.270 nan 0.000 0.430 236 K N -0.154 120.175 120.400 -0.118 0.000 2.147 236 K HA -0.062 4.259 4.320 0.002 0.000 0.205 236 K C 2.057 178.634 176.600 -0.037 0.000 1.049 236 K CA 1.184 57.415 56.287 -0.094 0.000 0.936 236 K CB -0.070 32.334 32.500 -0.159 0.000 0.722 236 K HN 0.192 nan 8.250 nan 0.000 0.446 237 A N 1.451 124.257 122.820 -0.023 0.000 1.898 237 A HA -0.138 4.183 4.320 0.002 0.000 0.216 237 A C 2.079 179.676 177.584 0.023 0.000 1.181 237 A CA 1.018 53.065 52.037 0.016 0.000 0.620 237 A CB -0.438 18.582 19.000 0.034 0.000 0.819 237 A HN 0.215 nan 8.150 nan 0.000 0.442 238 L N -0.098 121.131 121.223 0.010 0.000 2.046 238 L HA -0.086 4.256 4.340 0.002 0.000 0.208 238 L C 2.203 179.064 176.870 -0.014 0.000 1.077 238 L CA 2.537 57.379 54.840 0.003 0.000 0.747 238 L CB -0.584 41.466 42.059 -0.014 0.000 0.896 238 L HN 0.438 nan 8.230 nan 0.000 0.432 239 K N -1.592 118.799 120.400 -0.016 0.000 2.103 239 K HA -0.119 4.202 4.320 0.002 0.000 0.204 239 K C 1.832 178.429 176.600 -0.004 0.000 1.052 239 K CA 1.614 57.891 56.287 -0.016 0.000 0.945 239 K CB -0.072 32.421 32.500 -0.013 0.000 0.722 239 K HN 0.393 nan 8.250 nan 0.000 0.443 240 T N 0.437 114.991 114.554 -0.001 0.000 2.708 240 T HA -0.175 4.176 4.350 0.002 0.000 0.266 240 T C 1.933 176.641 174.700 0.013 0.000 1.037 240 T CA 2.041 64.138 62.100 -0.005 0.000 1.146 240 T CB -0.693 68.166 68.868 -0.016 0.000 0.865 240 T HN 0.570 nan 8.240 nan 0.000 0.435 241 T N 1.301 115.877 114.554 0.038 0.000 2.652 241 T HA -0.128 4.223 4.350 0.002 0.000 0.267 241 T C 2.058 176.819 174.700 0.102 0.000 1.039 241 T CA 1.451 63.599 62.100 0.079 0.000 1.153 241 T CB -1.146 67.798 68.868 0.128 0.000 0.863 241 T HN 0.185 nan 8.240 nan 0.000 0.428 242 V N 1.700 121.647 119.914 0.056 0.000 2.332 242 V HA -0.105 4.017 4.120 0.002 0.000 0.248 242 V C 2.766 178.901 176.094 0.068 0.000 1.055 242 V CA 1.627 63.946 62.300 0.032 0.000 1.038 242 V CB -0.731 31.036 31.823 -0.094 0.000 0.651 242 V HN 0.507 nan 8.190 nan 0.000 0.450 243 I N -0.805 119.792 120.570 0.046 0.000 2.163 243 I HA -0.272 3.899 4.170 0.002 0.000 0.243 243 I C 2.426 178.591 176.117 0.080 0.000 1.085 243 I CA 1.514 62.846 61.300 0.054 0.000 1.347 243 I CB -0.336 37.682 38.000 0.030 0.000 1.044 243 I HN 0.322 nan 8.210 nan 0.000 0.408 244 L N 1.042 122.307 121.223 0.069 0.000 1.970 244 L HA -0.225 4.116 4.340 0.002 0.000 0.212 244 L C 2.326 179.283 176.870 0.144 0.000 1.071 244 L CA 1.992 56.878 54.840 0.077 0.000 0.751 244 L CB -0.476 41.606 42.059 0.039 0.000 0.889 244 L HN 0.085 nan 8.230 nan 0.000 0.432 245 I N -1.259 119.408 120.570 0.162 0.000 2.142 245 I HA -0.343 3.828 4.170 0.002 0.000 0.240 245 I C 2.454 178.818 176.117 0.412 0.000 1.078 245 I CA 1.358 62.812 61.300 0.256 0.000 1.343 245 I CB -0.368 37.805 38.000 0.288 0.000 1.046 245 I HN 0.256 nan 8.210 nan 0.000 0.405 246 L N 0.475 121.888 121.223 0.317 0.000 2.013 246 L HA -0.290 4.051 4.340 0.002 0.000 0.212 246 L C 2.792 179.835 176.870 0.288 0.000 1.073 246 L CA 1.685 56.707 54.840 0.303 0.000 0.753 246 L CB -0.687 41.479 42.059 0.178 0.000 0.890 246 L HN 0.305 nan 8.230 nan 0.000 0.432 247 A N -0.785 122.163 122.820 0.213 0.000 1.969 247 A HA -0.254 4.067 4.320 0.002 0.000 0.218 247 A C 2.109 179.796 177.584 0.172 0.000 1.169 247 A CA 1.300 53.435 52.037 0.164 0.000 0.635 247 A CB -0.736 18.330 19.000 0.110 0.000 0.810 247 A HN 0.425 nan 8.150 nan 0.000 0.445 248 F N -0.252 119.730 119.950 0.054 0.000 2.051 248 F HA -0.166 4.362 4.527 0.002 0.000 0.296 248 F C 1.886 177.684 175.800 -0.003 0.000 1.122 248 F CA 1.987 59.969 58.000 -0.030 0.000 1.201 248 F CB -0.373 38.497 39.000 -0.216 0.000 0.978 248 F HN 0.216 nan 8.300 nan 0.000 0.472 249 F N 0.581 120.777 119.950 0.410 0.000 2.216 249 F HA -0.079 4.450 4.527 0.002 0.000 0.300 249 F C 2.557 178.456 175.800 0.163 0.000 1.085 249 F CA 1.073 59.267 58.000 0.323 0.000 1.326 249 F CB -1.463 37.742 39.000 0.342 0.000 1.027 249 F HN 0.090 nan 8.300 nan 0.000 0.497 250 A N -0.632 122.349 122.820 0.268 0.000 1.908 250 A HA -0.223 4.098 4.320 0.002 0.000 0.218 250 A C 2.336 179.944 177.584 0.040 0.000 1.181 250 A CA 1.910 54.036 52.037 0.148 0.000 0.627 250 A CB -1.526 17.557 19.000 0.138 0.000 0.818 250 A HN 0.479 nan 8.150 nan 0.000 0.445 251 C N -2.917 116.362 119.300 -0.035 0.000 2.413 251 C HA -0.184 4.277 4.460 0.002 0.000 0.276 251 C C 2.387 177.165 174.990 -0.354 0.000 1.236 251 C CA 0.775 59.681 59.018 -0.187 0.000 1.735 251 C CB -1.839 25.727 27.740 -0.292 0.000 2.031 251 C HN 0.832 nan 8.230 nan 0.000 0.474 252 W N 0.062 121.146 121.300 -0.360 0.000 2.584 252 W HA 0.115 4.776 4.660 0.002 0.000 0.264 252 W C 2.264 178.327 176.519 -0.759 0.000 1.264 252 W CA -0.036 56.944 57.345 -0.609 0.000 1.306 252 W CB -0.491 28.465 29.460 -0.840 0.000 1.110 252 W HN 0.181 nan 8.180 nan 0.000 0.606 253 L N 2.088 123.187 121.223 -0.206 0.000 2.012 253 L HA -0.120 4.221 4.340 0.002 0.000 0.210 253 L C -0.746 176.139 176.870 0.025 0.000 1.073 253 L CA 2.242 57.055 54.840 -0.045 0.000 0.748 253 L CB -1.872 40.267 42.059 0.133 0.000 0.891 253 L HN -0.229 nan 8.230 nan 0.000 0.431 254 P HA -0.199 nan 4.420 nan 0.000 0.222 254 P C 1.303 178.687 177.300 0.140 0.000 1.147 254 P CA 1.399 64.543 63.100 0.073 0.000 0.790 254 P CB -0.257 31.481 31.700 0.063 0.000 0.780 255 Y N -0.964 119.349 120.300 0.022 0.000 2.220 255 Y HA -0.193 4.358 4.550 0.002 0.000 0.291 255 Y C 2.280 178.342 175.900 0.271 0.000 1.129 255 Y CA 1.372 59.564 58.100 0.153 0.000 1.161 255 Y CB -0.825 37.773 38.460 0.230 0.000 0.997 255 Y HN -0.096 nan 8.280 nan 0.000 0.522 256 Y N 0.002 120.408 120.300 0.177 0.000 2.151 256 Y HA -0.317 4.235 4.550 0.002 0.000 0.284 256 Y C 2.388 178.248 175.900 -0.066 0.000 1.166 256 Y CA 1.159 59.275 58.100 0.027 0.000 1.163 256 Y CB -0.339 38.200 38.460 0.132 0.000 0.974 256 Y HN 0.152 nan 8.280 nan 0.000 0.511 257 I N -0.200 120.451 120.570 0.135 0.000 2.315 257 I HA -0.222 3.949 4.170 0.002 0.000 0.248 257 I C 2.696 178.781 176.117 -0.053 0.000 1.117 257 I CA 1.260 62.575 61.300 0.025 0.000 1.404 257 I CB -0.784 37.238 38.000 0.037 0.000 1.071 257 I HN 0.237 nan 8.210 nan 0.000 0.419 258 G N 1.434 110.215 108.800 -0.031 0.000 2.433 258 G HA2 -0.198 3.763 3.960 0.002 0.000 0.216 258 G HA3 -0.198 3.763 3.960 0.002 0.000 0.216 258 G C 1.603 176.450 174.900 -0.088 0.000 1.186 258 G CA 0.444 45.523 45.100 -0.034 0.000 0.779 258 G HN 0.170 nan 8.290 nan 0.000 0.543 259 I N 1.403 121.869 120.570 -0.174 0.000 2.286 259 I HA -0.104 4.067 4.170 0.002 0.000 0.248 259 I C 2.903 178.919 176.117 -0.168 0.000 1.115 259 I CA 1.115 62.316 61.300 -0.164 0.000 1.392 259 I CB -0.977 36.873 38.000 -0.249 0.000 1.065 259 I HN 0.105 nan 8.210 nan 0.000 0.418 260 S N 0.894 116.448 115.700 -0.242 0.000 2.370 260 S HA -0.129 4.342 4.470 0.002 0.000 0.226 260 S C 2.043 176.142 174.600 -0.835 0.000 1.033 260 S CA 1.234 59.142 58.200 -0.487 0.000 1.011 260 S CB -0.188 62.748 63.200 -0.440 0.000 0.852 260 S HN 0.340 nan 8.310 nan 0.000 0.457 261 I N 1.101 121.380 120.570 -0.485 0.000 2.286 261 I HA -0.147 4.024 4.170 0.002 0.000 0.245 261 I C 2.273 178.352 176.117 -0.063 0.000 1.104 261 I CA 1.074 62.201 61.300 -0.289 0.000 1.397 261 I CB -0.321 37.642 38.000 -0.062 0.000 1.072 261 I HN 0.143 nan 8.210 nan 0.000 0.417 262 D N 0.648 121.035 120.400 -0.021 0.000 2.106 262 D HA -0.177 4.465 4.640 0.002 0.000 0.191 262 D C 2.341 178.692 176.300 0.084 0.000 0.997 262 D CA 1.642 55.702 54.000 0.099 0.000 0.834 262 D CB -0.040 40.850 40.800 0.150 0.000 0.956 262 D HN 0.119 nan 8.370 nan 0.000 0.448 263 S N -0.605 115.093 115.700 -0.005 0.000 2.389 263 S HA -0.226 4.245 4.470 0.002 0.000 0.231 263 S C 2.036 176.746 174.600 0.182 0.000 1.052 263 S CA 1.003 59.220 58.200 0.029 0.000 1.053 263 S CB -0.683 62.487 63.200 -0.050 0.000 0.886 263 S HN 0.394 nan 8.310 nan 0.000 0.456 264 F N 0.803 120.778 119.950 0.042 0.000 2.216 264 F HA -0.090 4.439 4.527 0.002 0.000 0.300 264 F C 2.188 178.012 175.800 0.041 0.000 1.085 264 F CA 0.433 58.452 58.000 0.032 0.000 1.326 264 F CB -0.433 38.593 39.000 0.042 0.000 1.027 264 F HN 0.187 nan 8.300 nan 0.000 0.497 265 I N 0.278 121.005 120.570 0.263 0.000 2.113 265 I HA -0.325 3.846 4.170 0.002 0.000 0.238 265 I C 2.352 178.548 176.117 0.131 0.000 1.070 265 I CA 1.275 62.686 61.300 0.185 0.000 1.332 265 I CB -0.524 37.601 38.000 0.210 0.000 1.044 265 I HN 0.098 nan 8.210 nan 0.000 0.402 266 L N 0.207 121.507 121.223 0.127 0.000 2.012 266 L HA -0.224 4.117 4.340 0.002 0.000 0.210 266 L C 2.259 179.164 176.870 0.059 0.000 1.073 266 L CA 1.441 56.333 54.840 0.086 0.000 0.748 266 L CB -0.531 41.574 42.059 0.077 0.000 0.891 266 L HN 0.301 nan 8.230 nan 0.000 0.431 267 L N -0.412 120.852 121.223 0.067 0.000 2.650 267 L HA -0.037 4.305 4.340 0.002 0.000 0.235 267 L C 0.471 177.353 176.870 0.019 0.000 1.149 267 L CA 0.203 55.064 54.840 0.035 0.000 0.887 267 L CB -0.532 41.553 42.059 0.044 0.000 1.021 267 L HN 0.335 nan 8.230 nan 0.000 0.441 268 E N -0.978 119.240 120.200 0.031 0.000 2.722 268 E HA -0.277 4.074 4.350 0.002 0.000 0.265 268 E C 1.151 177.733 176.600 -0.031 0.000 1.081 268 E CA 0.309 56.710 56.400 0.002 0.000 0.781 268 E CB -1.474 28.219 29.700 -0.011 0.000 1.372 268 E HN 0.574 nan 8.360 nan 0.000 0.423 269 I N 0.304 120.854 120.570 -0.033 0.000 2.439 269 I HA -0.064 4.107 4.170 0.002 0.000 0.251 269 I C 1.551 177.587 176.117 -0.136 0.000 1.139 269 I CA 1.038 62.252 61.300 -0.143 0.000 1.438 269 I CB -0.084 37.722 38.000 -0.322 0.000 1.085 269 I HN 0.230 nan 8.210 nan 0.000 0.427 270 I N -2.026 118.516 120.570 -0.046 0.000 2.892 270 I HA 0.485 4.656 4.170 0.002 0.000 0.306 270 I C -1.093 174.984 176.117 -0.067 0.000 1.078 270 I CA -0.868 60.389 61.300 -0.071 0.000 1.032 270 I CB 2.259 40.220 38.000 -0.064 0.000 1.229 270 I HN -0.177 nan 8.210 nan 0.000 0.435 271 K N 4.444 124.774 120.400 -0.117 0.000 2.535 271 K HA 0.494 4.815 4.320 0.002 0.000 0.253 271 K C -1.156 175.338 176.600 -0.176 0.000 0.953 271 K CA -0.713 55.511 56.287 -0.104 0.000 0.863 271 K CB 1.857 34.314 32.500 -0.072 0.000 1.111 271 K HN 0.534 nan 8.250 nan 0.000 0.431 272 Q N 0.541 120.225 119.800 -0.192 0.000 2.605 272 Q HA 0.426 4.767 4.340 0.002 0.000 0.296 272 Q C 0.325 176.299 176.000 -0.043 0.000 1.056 272 Q CA -0.942 54.726 55.803 -0.226 0.000 0.778 272 Q CB 1.587 29.939 28.738 -0.644 0.000 1.497 272 Q HN 0.677 nan 8.270 nan 0.000 0.443 273 G N -0.295 108.510 108.800 0.008 0.000 2.525 273 G HA2 0.175 4.136 3.960 0.002 0.000 0.276 273 G HA3 0.175 4.136 3.960 0.002 0.000 0.276 273 G C 0.596 175.555 174.900 0.099 0.000 1.388 273 G CA -0.138 44.990 45.100 0.047 0.000 1.050 273 G HN 0.692 nan 8.290 nan 0.000 0.520 274 c N -1.309 117.334 118.600 0.072 0.000 2.485 274 c HA 0.130 4.701 4.570 0.002 0.000 0.277 274 c C 2.515 176.654 174.090 0.082 0.000 1.376 274 c CA 0.597 56.968 56.329 0.070 0.000 1.759 274 c CB -0.716 41.812 42.510 0.031 0.000 1.970 274 c HN 0.904 nan 8.230 nan 0.000 0.509 275 E N 0.203 120.458 120.200 0.092 0.000 2.150 275 E HA -0.220 4.131 4.350 0.002 0.000 0.193 275 E C 1.785 178.440 176.600 0.093 0.000 0.985 275 E CA 1.053 57.505 56.400 0.085 0.000 0.814 275 E CB -0.133 29.618 29.700 0.085 0.000 0.752 275 E HN 0.705 nan 8.360 nan 0.000 0.466 276 F N 1.474 121.418 119.950 -0.009 0.000 2.187 276 F HA -0.009 4.519 4.527 0.002 0.000 0.295 276 F C 1.952 177.713 175.800 -0.065 0.000 1.091 276 F CA 1.241 59.229 58.000 -0.021 0.000 1.308 276 F CB 0.122 39.112 39.000 -0.016 0.000 1.030 276 F HN -0.047 nan 8.300 nan 0.000 0.487 277 E N -0.026 120.219 120.200 0.075 0.000 2.106 277 E HA -0.204 4.147 4.350 0.002 0.000 0.192 277 E C 1.817 178.149 176.600 -0.446 0.000 0.984 277 E CA 1.073 57.376 56.400 -0.161 0.000 0.806 277 E CB -0.279 29.429 29.700 0.012 0.000 0.750 277 E HN 0.490 nan 8.360 nan 0.000 0.458 278 N N -0.092 118.515 118.700 -0.155 0.000 2.354 278 N HA -0.052 4.689 4.740 0.002 0.000 0.179 278 N C 1.510 176.983 175.510 -0.061 0.000 1.021 278 N CA 0.935 53.954 53.050 -0.053 0.000 0.887 278 N CB 0.210 38.733 38.487 0.060 0.000 0.974 278 N HN 0.092 nan 8.380 nan 0.000 0.437 279 T N 0.632 115.123 114.554 -0.104 0.000 2.857 279 T HA -0.022 4.329 4.350 0.002 0.000 0.266 279 T C 2.223 176.929 174.700 0.010 0.000 1.048 279 T CA 0.475 62.565 62.100 -0.016 0.000 1.139 279 T CB -0.086 68.763 68.868 -0.033 0.000 0.874 279 T HN -0.049 nan 8.240 nan 0.000 0.455 280 V N 1.600 121.356 119.914 -0.264 0.000 2.287 280 V HA -0.259 3.862 4.120 0.002 0.000 0.248 280 V C 2.179 178.290 176.094 0.030 0.000 1.053 280 V CA 1.857 64.035 62.300 -0.203 0.000 1.027 280 V CB -0.801 30.801 31.823 -0.369 0.000 0.646 280 V HN 0.678 nan 8.190 nan 0.000 0.447 281 H N 0.472 119.582 119.070 0.068 0.000 2.423 281 H HA -0.142 4.415 4.556 0.002 0.000 0.297 281 H C 2.339 177.727 175.328 0.100 0.000 1.075 281 H CA 1.410 57.515 56.048 0.095 0.000 1.342 281 H CB -0.033 29.781 29.762 0.086 0.000 1.395 281 H HN 0.534 nan 8.280 nan 0.000 0.530 282 K N 0.560 121.053 120.400 0.154 0.000 2.103 282 K HA -0.144 4.177 4.320 0.002 0.000 0.204 282 K C 1.322 177.893 176.600 -0.048 0.000 1.052 282 K CA 1.280 57.581 56.287 0.024 0.000 0.945 282 K CB -0.255 32.196 32.500 -0.083 0.000 0.722 282 K HN 0.310 nan 8.250 nan 0.000 0.443 283 W N 1.469 122.798 121.300 0.048 0.000 2.476 283 W HA 0.175 4.836 4.660 0.002 0.000 0.281 283 W C 1.870 178.448 176.519 0.098 0.000 1.230 283 W CA 0.195 57.563 57.345 0.037 0.000 1.287 283 W CB -0.010 29.432 29.460 -0.030 0.000 1.108 283 W HN -0.050 nan 8.180 nan 0.000 0.567 284 I N -0.325 120.437 120.570 0.322 0.000 2.226 284 I HA -0.338 3.833 4.170 0.002 0.000 0.245 284 I C 2.310 178.637 176.117 0.349 0.000 1.100 284 I CA 1.389 62.889 61.300 0.332 0.000 1.374 284 I CB -0.651 37.530 38.000 0.302 0.000 1.057 284 I HN -0.177 nan 8.210 nan 0.000 0.413 285 S N 0.801 116.659 115.700 0.263 0.000 2.370 285 S HA -0.138 4.333 4.470 0.002 0.000 0.226 285 S C 1.979 176.680 174.600 0.167 0.000 1.033 285 S CA 1.297 59.633 58.200 0.228 0.000 1.011 285 S CB -0.293 63.017 63.200 0.182 0.000 0.852 285 S HN 0.342 nan 8.310 nan 0.000 0.457 286 I N 1.663 122.308 120.570 0.125 0.000 2.202 286 I HA -0.172 4.000 4.170 0.002 0.000 0.242 286 I C 2.864 179.071 176.117 0.150 0.000 1.091 286 I CA 1.605 62.983 61.300 0.130 0.000 1.368 286 I CB -0.798 37.166 38.000 -0.060 0.000 1.058 286 I HN 0.429 nan 8.210 nan 0.000 0.410 287 T N -2.125 112.552 114.554 0.205 0.000 2.904 287 T HA -0.182 4.169 4.350 0.002 0.000 0.267 287 T C 1.687 176.398 174.700 0.017 0.000 1.059 287 T CA 1.112 63.312 62.100 0.167 0.000 1.137 287 T CB -0.321 68.703 68.868 0.261 0.000 0.879 287 T HN 0.403 nan 8.240 nan 0.000 0.467 288 E N 1.548 121.777 120.200 0.049 0.000 2.077 288 E HA -0.095 4.256 4.350 0.002 0.000 0.193 288 E C 2.476 178.570 176.600 -0.844 0.000 0.989 288 E CA 1.036 57.223 56.400 -0.356 0.000 0.800 288 E CB -0.433 29.207 29.700 -0.099 0.000 0.746 288 E HN 0.629 nan 8.360 nan 0.000 0.452 289 A N 1.154 123.667 122.820 -0.510 0.000 1.902 289 A HA -0.147 4.174 4.320 0.002 0.000 0.217 289 A C 2.213 179.514 177.584 -0.471 0.000 1.181 289 A CA 1.087 52.789 52.037 -0.558 0.000 0.623 289 A CB -0.625 18.181 19.000 -0.322 0.000 0.818 289 A HN 0.322 nan 8.150 nan 0.000 0.443 290 L N -0.953 120.096 121.223 -0.290 0.000 2.201 290 L HA -0.141 4.200 4.340 0.002 0.000 0.212 290 L C 3.005 179.713 176.870 -0.269 0.000 1.105 290 L CA 0.750 55.476 54.840 -0.189 0.000 0.775 290 L CB -0.448 41.577 42.059 -0.055 0.000 0.913 290 L HN 0.458 nan 8.230 nan 0.000 0.440 291 A N -0.036 122.468 122.820 -0.526 0.000 1.972 291 A HA -0.188 4.133 4.320 0.002 0.000 0.219 291 A C 1.819 179.063 177.584 -0.567 0.000 1.169 291 A CA 1.221 52.751 52.037 -0.846 0.000 0.635 291 A CB -0.608 17.477 19.000 -1.526 0.000 0.810 291 A HN 0.331 nan 8.150 nan 0.000 0.446 292 F N -1.153 118.628 119.950 -0.282 0.000 2.546 292 F HA -0.006 4.522 4.527 0.002 0.000 0.298 292 F C 1.665 177.388 175.800 -0.128 0.000 1.120 292 F CA -0.479 57.449 58.000 -0.120 0.000 1.456 292 F CB -1.408 37.633 39.000 0.068 0.000 1.088 292 F HN 0.410 nan 8.300 nan 0.000 0.572 293 F N 1.213 121.113 119.950 -0.084 0.000 2.346 293 F HA -0.309 4.220 4.527 0.002 0.000 0.301 293 F C 2.679 178.425 175.800 -0.089 0.000 1.070 293 F CA 1.428 59.376 58.000 -0.088 0.000 1.407 293 F CB -0.328 38.619 39.000 -0.089 0.000 1.072 293 F HN 0.254 nan 8.300 nan 0.000 0.543 294 H N -1.778 117.206 119.070 -0.144 0.000 2.390 294 H HA -0.245 4.313 4.556 0.002 0.000 0.298 294 H C 1.981 177.288 175.328 -0.035 0.000 1.106 294 H CA 1.879 57.839 56.048 -0.148 0.000 1.297 294 H CB -1.618 28.038 29.762 -0.176 0.000 1.375 294 H HN 0.294 nan 8.280 nan 0.000 0.509 295 C N -0.052 118.891 119.300 -0.594 0.000 2.430 295 C HA -0.041 4.420 4.460 0.002 0.000 0.288 295 C C 2.462 177.368 174.990 -0.140 0.000 1.448 295 C CA 0.689 59.536 59.018 -0.285 0.000 1.784 295 C CB -1.346 26.271 27.740 -0.205 0.000 1.776 295 C HN 0.835 nan 8.230 nan 0.000 0.547 296 C N -0.284 118.868 119.300 -0.247 0.000 2.865 296 C HA 0.197 4.658 4.460 0.002 0.000 0.280 296 C C 2.399 177.226 174.990 -0.272 0.000 1.255 296 C CA -0.086 58.786 59.018 -0.243 0.000 1.705 296 C CB -1.178 26.391 27.740 -0.285 0.000 2.080 296 C HN 0.591 nan 8.230 nan 0.000 0.591 297 L N 1.895 122.930 121.223 -0.315 0.000 2.017 297 L HA -0.136 4.205 4.340 0.002 0.000 0.208 297 L C 2.600 179.421 176.870 -0.082 0.000 1.073 297 L CA 1.803 56.513 54.840 -0.217 0.000 0.745 297 L CB -0.883 41.094 42.059 -0.137 0.000 0.894 297 L HN 0.355 nan 8.230 nan 0.000 0.432 298 N N 0.189 118.875 118.700 -0.024 0.000 2.043 298 N HA -0.149 4.592 4.740 0.002 0.000 0.193 298 N C -0.703 174.837 175.510 0.050 0.000 1.037 298 N CA 1.834 54.885 53.050 0.003 0.000 0.851 298 N CB -1.093 37.441 38.487 0.079 0.000 1.027 298 N HN 0.052 nan 8.380 nan 0.000 0.422 299 P HA -0.066 nan 4.420 nan 0.000 0.215 299 P C 1.492 178.857 177.300 0.108 0.000 1.153 299 P CA 1.167 64.354 63.100 0.144 0.000 0.853 299 P CB -0.026 31.716 31.700 0.070 0.000 0.788 300 I N -1.255 119.336 120.570 0.036 0.000 2.226 300 I HA -0.208 3.963 4.170 0.002 0.000 0.245 300 I C 2.184 178.348 176.117 0.078 0.000 1.100 300 I CA 1.260 62.593 61.300 0.055 0.000 1.374 300 I CB -0.691 37.328 38.000 0.031 0.000 1.057 300 I HN -0.110 nan 8.210 nan 0.000 0.413 301 L N -0.586 120.644 121.223 0.012 0.000 2.353 301 L HA -0.222 4.119 4.340 0.002 0.000 0.220 301 L C 1.989 178.844 176.870 -0.024 0.000 1.133 301 L CA 1.147 55.970 54.840 -0.027 0.000 0.798 301 L CB -0.549 41.434 42.059 -0.127 0.000 0.922 301 L HN 0.285 nan 8.230 nan 0.000 0.445 302 Y N -0.037 120.299 120.300 0.060 0.000 2.511 302 Y HA 0.255 4.806 4.550 0.002 0.000 0.279 302 Y C 1.579 177.504 175.900 0.042 0.000 1.157 302 Y CA -0.641 57.490 58.100 0.052 0.000 1.300 302 Y CB -0.393 38.085 38.460 0.031 0.000 1.052 302 Y HN 0.024 nan 8.280 nan 0.000 0.529 303 A N -0.852 122.075 122.820 0.178 0.000 2.406 303 A HA 0.281 4.602 4.320 0.002 0.000 0.243 303 A C 0.409 178.096 177.584 0.172 0.000 1.082 303 A CA -0.201 51.846 52.037 0.016 0.000 0.786 303 A CB -0.542 18.409 19.000 -0.081 0.000 1.029 303 A HN 0.514 nan 8.150 nan 0.000 0.495 304 F N -1.823 118.203 119.950 0.126 0.000 3.069 304 F HA -0.200 4.328 4.527 0.002 0.000 0.285 304 F C 0.497 176.358 175.800 0.102 0.000 0.827 304 F CA 0.226 58.293 58.000 0.112 0.000 1.108 304 F CB -1.959 37.188 39.000 0.246 0.000 1.252 304 F HN 0.434 nan 8.300 nan 0.000 0.483 305 L N 0.997 122.351 121.223 0.218 0.000 2.584 305 L HA 0.235 4.576 4.340 0.002 0.000 0.272 305 L C 1.528 178.474 176.870 0.126 0.000 1.195 305 L CA 1.154 56.100 54.840 0.177 0.000 0.920 305 L CB 0.269 42.422 42.059 0.156 0.000 1.173 305 L HN 0.533 nan 8.230 nan 0.000 0.489 306 G N 2.490 111.363 108.800 0.121 0.000 2.184 306 G HA2 -0.289 3.672 3.960 0.002 0.000 0.264 306 G HA3 -0.289 3.672 3.960 0.002 0.000 0.264 306 G C 0.444 175.366 174.900 0.038 0.000 0.975 306 G CA 0.090 45.236 45.100 0.076 0.000 0.642 306 G HN 0.954 nan 8.290 nan 0.000 0.536 307 A N -0.193 122.648 122.820 0.036 0.000 2.407 307 A HA 0.616 4.938 4.320 0.002 0.000 0.248 307 A C 0.451 177.931 177.584 -0.174 0.000 1.082 307 A CA 0.301 52.271 52.037 -0.112 0.000 0.785 307 A CB 0.497 19.384 19.000 -0.187 0.000 1.020 307 A HN 0.173 nan 8.150 nan 0.000 0.489 308 K N 1.723 121.979 120.400 -0.240 0.000 2.358 308 K HA 0.347 4.668 4.320 0.002 0.000 0.260 308 K C -1.462 174.975 176.600 -0.271 0.000 0.956 308 K CA -0.047 56.148 56.287 -0.154 0.000 0.834 308 K CB 1.102 33.567 32.500 -0.058 0.000 1.102 308 K HN 0.557 nan 8.250 nan 0.000 0.431 309 F N 3.113 123.049 119.950 -0.024 0.000 2.626 309 F HA 0.220 4.748 4.527 0.002 0.000 0.353 309 F C 1.170 176.955 175.800 -0.025 0.000 1.230 309 F CA -0.074 57.900 58.000 -0.042 0.000 1.298 309 F CB 0.291 39.245 39.000 -0.077 0.000 1.670 309 F HN 0.210 nan 8.300 nan 0.000 0.633 310 K N 0.187 120.617 120.400 0.050 0.000 2.536 310 K HA 0.190 4.511 4.320 0.002 0.000 0.203 310 K C -0.122 176.467 176.600 -0.018 0.000 1.063 310 K CA 0.007 56.312 56.287 0.030 0.000 1.063 310 K CB 0.968 33.464 32.500 -0.007 0.000 0.843 310 K HN 0.183 nan 8.250 nan 0.000 0.521 311 T N 1.574 116.125 114.554 -0.005 0.000 2.791 311 T HA 0.228 4.579 4.350 0.002 0.000 0.288 311 T C -0.123 174.625 174.700 0.080 0.000 0.999 311 T CA -0.551 61.544 62.100 -0.008 0.000 0.952 311 T CB 1.481 70.315 68.868 -0.056 0.000 0.938 311 T HN 0.162 nan 8.240 nan 0.000 0.444 312 S N 1.926 117.710 115.700 0.139 0.000 2.739 312 S HA 0.753 5.225 4.470 0.002 0.000 0.306 312 S C 1.743 176.404 174.600 0.102 0.000 1.115 312 S CA -0.423 57.843 58.200 0.109 0.000 0.985 312 S CB 1.236 64.496 63.200 0.099 0.000 1.133 312 S HN 0.643 nan 8.310 nan 0.000 0.541 313 A N 0.503 123.365 122.820 0.070 0.000 1.986 313 A HA -0.126 4.196 4.320 0.002 0.000 0.220 313 A C 2.188 179.805 177.584 0.054 0.000 1.171 313 A CA 1.489 53.559 52.037 0.056 0.000 0.640 313 A CB -0.893 18.132 19.000 0.040 0.000 0.811 313 A HN 0.780 nan 8.150 nan 0.000 0.451 314 Q N -1.150 118.680 119.800 0.050 0.000 2.123 314 Q HA -0.143 4.198 4.340 0.002 0.000 0.199 314 Q C 1.586 177.605 176.000 0.032 0.000 0.966 314 Q CA 1.612 57.428 55.803 0.021 0.000 0.845 314 Q CB -0.508 28.224 28.738 -0.010 0.000 0.907 314 Q HN 0.946 nan 8.270 nan 0.000 0.439 315 H N 0.082 119.162 119.070 0.016 0.000 2.555 315 H HA 0.149 4.706 4.556 0.002 0.000 0.269 315 H C 1.549 176.885 175.328 0.013 0.000 0.988 315 H CA 0.455 56.512 56.048 0.015 0.000 1.178 315 H CB 0.450 30.223 29.762 0.017 0.000 1.373 315 H HN 0.283 nan 8.280 nan 0.000 0.588 316 A N -0.311 122.593 122.820 0.141 0.000 2.178 316 A HA 0.080 4.401 4.320 0.002 0.000 0.211 316 A C 1.689 179.311 177.584 0.063 0.000 1.157 316 A CA 0.368 52.456 52.037 0.085 0.000 0.780 316 A CB 0.144 19.180 19.000 0.059 0.000 0.828 316 A HN 0.369 nan 8.150 nan 0.000 0.476 317 L N -0.637 120.618 121.223 0.054 0.000 2.609 317 L HA 0.187 4.528 4.340 0.002 0.000 0.230 317 L C 0.867 177.748 176.870 0.018 0.000 1.087 317 L CA 0.823 55.681 54.840 0.029 0.000 0.874 317 L CB 0.536 42.606 42.059 0.018 0.000 1.114 317 L HN 0.458 nan 8.230 nan 0.000 0.488 318 T N -5.406 109.156 114.554 0.012 0.000 2.754 318 T HA 0.486 4.837 4.350 0.002 0.000 0.296 318 T C -0.136 174.546 174.700 -0.030 0.000 1.205 318 T CA -0.675 61.410 62.100 -0.026 0.000 1.009 318 T CB 1.608 70.431 68.868 -0.074 0.000 1.368 318 T HN -0.188 nan 8.240 nan 0.000 0.509 1003 I N 1.232 121.698 120.570 -0.174 0.000 2.335 1003 I HA -0.194 3.977 4.170 0.002 0.000 0.251 1003 I C 2.040 178.174 176.117 0.028 0.000 1.129 1003 I CA 1.282 62.607 61.300 0.042 0.000 1.402 1003 I CB -0.003 38.117 38.000 0.199 0.000 1.069 1003 I HN 0.119 nan 8.210 nan 0.000 0.424 1004 F N 1.450 121.333 119.950 -0.113 0.000 2.128 1004 F HA -0.183 4.345 4.527 0.003 0.000 0.295 1004 F C 2.436 177.976 175.800 -0.434 0.000 1.100 1004 F CA 1.538 59.291 58.000 -0.411 0.000 1.260 1004 F CB -0.249 38.612 39.000 -0.232 0.000 1.009 1004 F HN -0.006 nan 8.300 nan 0.000 0.476 1005 E N 0.334 120.394 120.200 -0.234 0.000 2.150 1005 E HA -0.229 4.122 4.350 0.002 0.000 0.193 1005 E C 2.276 178.633 176.600 -0.405 0.000 0.985 1005 E CA 1.112 57.321 56.400 -0.319 0.000 0.814 1005 E CB -0.336 29.250 29.700 -0.190 0.000 0.752 1005 E HN 0.521 nan 8.360 nan 0.000 0.466 1006 M N 0.221 119.544 119.600 -0.461 0.000 2.065 1006 M HA -0.209 4.272 4.480 0.002 0.000 0.259 1006 M C 2.083 178.176 176.300 -0.346 0.000 1.069 1006 M CA 1.519 56.498 55.300 -0.534 0.000 1.110 1006 M CB -0.050 32.319 32.600 -0.386 0.000 1.328 1006 M HN 0.074 nan 8.290 nan 0.000 0.405 1007 L N -0.685 120.305 121.223 -0.388 0.000 2.313 1007 L HA -0.093 4.249 4.340 0.002 0.000 0.214 1007 L C 2.594 179.226 176.870 -0.396 0.000 1.119 1007 L CA 0.590 55.219 54.840 -0.351 0.000 0.809 1007 L CB -0.505 41.280 42.059 -0.458 0.000 0.933 1007 L HN 0.351 nan 8.230 nan 0.000 0.449 1008 R N 0.793 120.936 120.500 -0.595 0.000 2.081 1008 R HA -0.165 4.176 4.340 0.002 0.000 0.235 1008 R C 2.223 178.371 176.300 -0.253 0.000 1.131 1008 R CA 1.626 57.410 56.100 -0.526 0.000 0.960 1008 R CB -0.232 29.635 30.300 -0.722 0.000 0.856 1008 R HN 0.287 nan 8.270 nan 0.000 0.436 1009 I N 0.767 121.232 120.570 -0.176 0.000 2.252 1009 I HA -0.237 3.934 4.170 0.002 0.000 0.245 1009 I C 1.591 177.720 176.117 0.019 0.000 1.102 1009 I CA 1.279 62.562 61.300 -0.029 0.000 1.385 1009 I CB -0.237 37.824 38.000 0.102 0.000 1.064 1009 I HN 0.209 nan 8.210 nan 0.000 0.414 1010 D N 0.105 120.531 120.400 0.043 0.000 2.162 1010 D HA -0.137 4.504 4.640 0.002 0.000 0.205 1010 D C 2.033 178.364 176.300 0.051 0.000 0.964 1010 D CA 1.112 55.166 54.000 0.090 0.000 0.847 1010 D CB 0.101 40.995 40.800 0.157 0.000 0.988 1010 D HN 0.282 nan 8.370 nan 0.000 0.480 1011 E N -0.516 119.691 120.200 0.013 0.000 2.364 1011 E HA 0.281 4.633 4.350 0.002 0.000 0.196 1011 E C 0.325 176.921 176.600 -0.006 0.000 0.990 1011 E CA 0.404 56.825 56.400 0.036 0.000 0.886 1011 E CB 0.633 30.387 29.700 0.090 0.000 0.866 1011 E HN 0.206 nan 8.360 nan 0.000 0.493 1012 G N 0.563 109.327 108.800 -0.060 0.000 2.675 1012 G HA2 -0.150 3.811 3.960 0.002 0.000 0.686 1012 G HA3 -0.150 3.811 3.960 0.002 0.000 0.686 1012 G C -1.374 173.470 174.900 -0.094 0.000 1.215 1012 G CA -0.344 44.712 45.100 -0.073 0.000 0.777 1012 G HN 0.178 nan 8.290 nan 0.000 0.638 1013 L N 1.179 122.346 121.223 -0.093 0.000 2.372 1013 L HA 0.791 5.132 4.340 0.002 0.000 0.273 1013 L C 0.315 177.170 176.870 -0.025 0.000 0.989 1013 L CA -0.700 54.095 54.840 -0.075 0.000 0.841 1013 L CB 1.190 43.181 42.059 -0.113 0.000 1.225 1013 L HN 0.644 nan 8.230 nan 0.000 0.414 1014 R N 5.082 125.586 120.500 0.007 0.000 2.255 1014 R HA 0.396 4.737 4.340 0.002 0.000 0.326 1014 R C 0.422 176.757 176.300 0.058 0.000 0.986 1014 R CA -0.519 55.597 56.100 0.026 0.000 0.847 1014 R CB 1.423 31.745 30.300 0.036 0.000 1.111 1014 R HN 0.708 nan 8.270 nan 0.000 0.452 1015 L N 1.841 123.095 121.223 0.052 0.000 2.509 1015 L HA 0.120 4.462 4.340 0.002 0.000 0.222 1015 L C 0.597 177.509 176.870 0.070 0.000 1.123 1015 L CA 0.886 55.762 54.840 0.060 0.000 0.856 1015 L CB 0.028 42.115 42.059 0.047 0.000 0.985 1015 L HN 0.381 nan 8.230 nan 0.000 0.456 1016 K N 0.409 120.857 120.400 0.081 0.000 2.378 1016 K HA 0.390 4.711 4.320 0.002 0.000 0.252 1016 K C -0.271 176.416 176.600 0.144 0.000 0.931 1016 K CA -0.724 55.622 56.287 0.099 0.000 0.794 1016 K CB 1.653 34.206 32.500 0.088 0.000 1.181 1016 K HN -0.185 nan 8.250 nan 0.000 0.425 1017 I N 3.532 124.194 120.570 0.153 0.000 2.948 1017 I HA -0.173 3.998 4.170 0.002 0.000 0.303 1017 I C -0.556 175.729 176.117 0.280 0.000 1.224 1017 I CA 0.875 62.300 61.300 0.207 0.000 1.442 1017 I CB 0.122 38.223 38.000 0.169 0.000 1.328 1017 I HN 0.601 nan 8.210 nan 0.000 0.578 1018 Y N 6.877 127.276 120.300 0.165 0.000 2.332 1018 Y HA 0.310 4.861 4.550 0.001 0.000 0.325 1018 Y C -0.374 175.584 175.900 0.097 0.000 1.054 1018 Y CA -1.136 57.037 58.100 0.122 0.000 1.119 1018 Y CB 0.964 39.471 38.460 0.078 0.000 1.168 1018 Y HN 0.431 nan 8.280 nan 0.000 0.439 1019 K N 5.606 125.708 120.400 -0.496 0.000 2.349 1019 K HA 0.137 4.458 4.320 0.002 0.000 0.288 1019 K C -0.261 175.685 176.600 -1.090 0.000 1.058 1019 K CA -0.344 55.507 56.287 -0.726 0.000 0.953 1019 K CB 0.375 32.581 32.500 -0.490 0.000 0.997 1019 K HN 0.839 nan 8.250 nan 0.000 0.477 1020 D N 2.255 122.272 120.400 -0.638 0.000 2.511 1020 D HA -0.023 4.619 4.640 0.002 0.000 0.276 1020 D C 0.894 177.088 176.300 -0.177 0.000 1.220 1020 D CA -0.236 53.594 54.000 -0.282 0.000 1.077 1020 D CB 0.249 41.121 40.800 0.120 0.000 1.126 1020 D HN 0.557 nan 8.370 nan 0.000 0.583 1021 T N -3.321 111.217 114.554 -0.026 0.000 3.055 1021 T HA -0.006 4.345 4.350 0.002 0.000 0.265 1021 T C 0.879 175.567 174.700 -0.021 0.000 1.111 1021 T CA 0.542 62.629 62.100 -0.022 0.000 1.118 1021 T CB -0.084 68.799 68.868 0.025 0.000 0.909 1021 T HN 0.361 nan 8.240 nan 0.000 0.501 1022 E N 0.626 120.835 120.200 0.016 0.000 2.501 1022 E HA 0.314 4.665 4.350 0.002 0.000 0.201 1022 E C 1.417 177.948 176.600 -0.114 0.000 1.016 1022 E CA 0.426 56.842 56.400 0.027 0.000 0.920 1022 E CB 0.614 30.417 29.700 0.171 0.000 1.023 1022 E HN 0.670 nan 8.360 nan 0.000 0.474 1023 G N 0.890 109.575 108.800 -0.192 0.000 2.179 1023 G HA2 -0.256 3.705 3.960 0.002 0.000 0.220 1023 G HA3 -0.256 3.705 3.960 0.002 0.000 0.220 1023 G C -0.101 174.488 174.900 -0.519 0.000 0.990 1023 G CA -0.258 44.621 45.100 -0.369 0.000 0.646 1023 G HN 0.205 nan 8.290 nan 0.000 0.517 1024 Y N -0.395 119.728 120.300 -0.295 0.000 2.307 1024 Y HA 0.659 5.210 4.550 0.001 0.000 0.324 1024 Y C 0.453 176.126 175.900 -0.379 0.000 1.238 1024 Y CA -0.727 57.239 58.100 -0.224 0.000 1.280 1024 Y CB 0.749 39.161 38.460 -0.081 0.000 1.248 1024 Y HN 0.137 nan 8.280 nan 0.000 0.508 1025 Y N 0.337 120.730 120.300 0.155 0.000 2.352 1025 Y HA 0.506 5.058 4.550 0.002 0.000 0.339 1025 Y C 0.145 176.117 175.900 0.121 0.000 0.992 1025 Y CA -0.694 57.467 58.100 0.101 0.000 1.100 1025 Y CB 1.975 40.471 38.460 0.060 0.000 1.192 1025 Y HN 0.490 nan 8.280 nan 0.000 0.458 1026 T N 4.737 119.464 114.554 0.288 0.000 2.906 1026 T HA 0.745 5.096 4.350 0.002 0.000 0.295 1026 T C -1.334 173.521 174.700 0.258 0.000 1.061 1026 T CA -0.557 61.685 62.100 0.238 0.000 1.000 1026 T CB 1.503 70.495 68.868 0.206 0.000 1.103 1026 T HN 0.601 nan 8.240 nan 0.000 0.486 1027 I N 0.165 120.887 120.570 0.253 0.000 3.149 1027 I HA 0.577 4.748 4.170 0.002 0.000 0.310 1027 I C 0.587 176.836 176.117 0.219 0.000 1.343 1027 I CA 0.217 61.651 61.300 0.223 0.000 0.955 1027 I CB 1.646 39.771 38.000 0.209 0.000 1.309 1027 I HN 0.861 nan 8.210 nan 0.000 0.478 1028 G N 3.750 112.646 108.800 0.161 0.000 2.583 1028 G HA2 -0.282 3.679 3.960 0.002 0.000 0.292 1028 G HA3 -0.282 3.679 3.960 0.002 0.000 0.292 1028 G C -0.116 174.866 174.900 0.137 0.000 1.203 1028 G CA 0.294 45.486 45.100 0.153 0.000 0.987 1028 G HN 0.721 nan 8.290 nan 0.000 0.554 1029 I N 2.962 123.635 120.570 0.171 0.000 2.276 1029 I HA 0.418 4.589 4.170 0.002 0.000 0.290 1029 I C 1.493 177.799 176.117 0.315 0.000 1.109 1029 I CA 0.861 62.244 61.300 0.139 0.000 1.229 1029 I CB 0.108 38.078 38.000 -0.050 0.000 1.452 1029 I HN 1.682 nan 8.210 nan 0.000 0.497 1030 G N 4.229 113.166 108.800 0.230 0.000 2.305 1030 G HA2 -0.325 3.637 3.960 0.002 0.000 0.287 1030 G HA3 -0.325 3.637 3.960 0.002 0.000 0.287 1030 G C 0.053 175.068 174.900 0.191 0.000 1.036 1030 G CA 0.224 45.448 45.100 0.206 0.000 0.887 1030 G HN 0.805 nan 8.290 nan 0.000 0.505 1031 H N -0.815 118.334 119.070 0.131 0.000 2.552 1031 H HA 0.624 5.181 4.556 0.002 0.000 0.311 1031 H C -0.090 175.295 175.328 0.096 0.000 1.071 1031 H CA -1.023 55.087 56.048 0.103 0.000 1.307 1031 H CB 1.022 30.865 29.762 0.136 0.000 1.416 1031 H HN 0.212 nan 8.280 nan 0.000 0.464 1032 L N 6.662 127.617 121.223 -0.445 0.000 2.275 1032 L HA 0.291 4.632 4.340 0.002 0.000 0.288 1032 L C -0.925 175.751 176.870 -0.323 0.000 1.046 1032 L CA -0.152 54.550 54.840 -0.230 0.000 0.805 1032 L CB 0.487 42.453 42.059 -0.155 0.000 1.193 1032 L HN 0.697 nan 8.230 nan 0.000 0.426 1033 L N 2.271 123.473 121.223 -0.034 0.000 2.682 1033 L HA 0.468 4.809 4.340 0.002 0.000 0.209 1033 L C 1.014 177.920 176.870 0.060 0.000 1.195 1033 L CA -0.405 54.460 54.840 0.042 0.000 0.869 1033 L CB 0.522 42.658 42.059 0.128 0.000 1.599 1033 L HN 0.733 nan 8.230 nan 0.000 0.518 1034 T N -2.775 111.822 114.554 0.072 0.000 2.902 1034 T HA 0.168 4.519 4.350 0.002 0.000 0.287 1034 T C 0.889 175.647 174.700 0.096 0.000 1.048 1034 T CA -0.788 61.351 62.100 0.066 0.000 0.941 1034 T CB 0.566 69.457 68.868 0.038 0.000 1.432 1034 T HN 0.609 nan 8.240 nan 0.000 0.586 1035 K N 0.534 120.973 120.400 0.065 0.000 2.442 1035 K HA -0.026 4.295 4.320 0.002 0.000 0.199 1035 K C 0.829 177.453 176.600 0.040 0.000 1.044 1035 K CA 0.518 56.835 56.287 0.049 0.000 0.941 1035 K CB -0.854 31.663 32.500 0.028 0.000 0.759 1035 K HN 0.567 nan 8.250 nan 0.000 0.472 1036 S N 2.762 118.486 115.700 0.041 0.000 2.568 1036 S HA 0.086 4.557 4.470 0.002 0.000 0.282 1036 S C -1.745 172.922 174.600 0.112 0.000 1.338 1036 S CA -1.071 57.145 58.200 0.025 0.000 1.045 1036 S CB 0.644 63.821 63.200 -0.038 0.000 0.873 1036 S HN 0.171 nan 8.310 nan 0.000 0.516 1037 P HA 0.284 nan 4.420 nan 0.000 0.266 1037 P C -0.479 176.911 177.300 0.150 0.000 1.561 1037 P CA -0.099 63.104 63.100 0.172 0.000 1.089 1037 P CB 0.343 32.072 31.700 0.049 0.000 1.534 1038 S N 0.348 116.051 115.700 0.006 0.000 2.552 1038 S HA 0.315 4.787 4.470 0.002 0.000 0.314 1038 S C 0.987 175.416 174.600 -0.284 0.000 1.099 1038 S CA -0.692 57.467 58.200 -0.070 0.000 1.070 1038 S CB 0.768 63.931 63.200 -0.062 0.000 0.998 1038 S HN -0.017 nan 8.310 nan 0.000 0.474 1039 L N 5.126 126.228 121.223 -0.202 0.000 2.064 1039 L HA -0.259 4.082 4.340 0.002 0.000 0.216 1039 L C 1.643 178.384 176.870 -0.216 0.000 1.077 1039 L CA 2.038 56.729 54.840 -0.249 0.000 0.766 1039 L CB -0.354 41.681 42.059 -0.040 0.000 0.890 1039 L HN 0.690 nan 8.230 nan 0.000 0.435 1040 N N -0.073 118.548 118.700 -0.130 0.000 2.084 1040 N HA -0.152 4.590 4.740 0.002 0.000 0.190 1040 N C 1.725 177.171 175.510 -0.107 0.000 1.030 1040 N CA 1.584 54.579 53.050 -0.092 0.000 0.849 1040 N CB -0.422 38.032 38.487 -0.056 0.000 1.012 1040 N HN 0.462 nan 8.380 nan 0.000 0.423 1041 A N 0.193 122.935 122.820 -0.130 0.000 2.066 1041 A HA 0.255 4.577 4.320 0.002 0.000 0.218 1041 A C 2.179 179.675 177.584 -0.146 0.000 1.157 1041 A CA 1.350 53.320 52.037 -0.111 0.000 0.670 1041 A CB -0.643 18.304 19.000 -0.089 0.000 0.804 1041 A HN 0.312 nan 8.150 nan 0.000 0.453 1042 A N 0.205 122.862 122.820 -0.272 0.000 1.872 1042 A HA -0.080 4.241 4.320 0.002 0.000 0.214 1042 A C 2.059 179.560 177.584 -0.138 0.000 1.187 1042 A CA 1.536 53.401 52.037 -0.286 0.000 0.614 1042 A CB -0.382 18.211 19.000 -0.678 0.000 0.826 1042 A HN 0.466 nan 8.150 nan 0.000 0.442 1043 K N -0.185 120.136 120.400 -0.131 0.000 2.152 1043 K HA -0.125 4.196 4.320 0.002 0.000 0.206 1043 K C 2.347 178.927 176.600 -0.034 0.000 1.048 1043 K CA 1.310 57.563 56.287 -0.056 0.000 0.933 1043 K CB -0.184 32.287 32.500 -0.048 0.000 0.721 1043 K HN 0.452 nan 8.250 nan 0.000 0.447 1044 S N 0.887 116.560 115.700 -0.046 0.000 2.368 1044 S HA -0.145 4.326 4.470 0.002 0.000 0.225 1044 S C 1.828 176.423 174.600 -0.009 0.000 1.030 1044 S CA 1.131 59.315 58.200 -0.026 0.000 0.999 1044 S CB -0.008 63.173 63.200 -0.031 0.000 0.844 1044 S HN 0.213 nan 8.310 nan 0.000 0.459 1045 E N 0.655 120.850 120.200 -0.010 0.000 2.072 1045 E HA -0.097 4.254 4.350 0.002 0.000 0.191 1045 E C 2.083 178.711 176.600 0.046 0.000 0.985 1045 E CA 0.846 57.259 56.400 0.022 0.000 0.801 1045 E CB -0.518 29.199 29.700 0.029 0.000 0.750 1045 E HN 0.439 nan 8.360 nan 0.000 0.452 1046 L N 2.179 123.430 121.223 0.046 0.000 1.955 1046 L HA -0.210 4.131 4.340 0.002 0.000 0.213 1046 L C 1.614 178.503 176.870 0.032 0.000 1.072 1046 L CA 2.067 56.941 54.840 0.056 0.000 0.755 1046 L CB -0.845 41.247 42.059 0.056 0.000 0.888 1046 L HN -0.042 nan 8.230 nan 0.000 0.432 1047 D N -0.065 120.347 120.400 0.019 0.000 2.200 1047 D HA -0.275 4.366 4.640 0.002 0.000 0.192 1047 D C 2.131 178.438 176.300 0.012 0.000 1.008 1047 D CA 1.907 55.915 54.000 0.012 0.000 0.872 1047 D CB -0.173 40.631 40.800 0.005 0.000 0.923 1047 D HN 0.463 nan 8.370 nan 0.000 0.447 1048 K N 0.212 120.621 120.400 0.016 0.000 2.026 1048 K HA -0.010 4.311 4.320 0.002 0.000 0.208 1048 K C 2.133 178.744 176.600 0.018 0.000 1.048 1048 K CA 1.240 57.536 56.287 0.016 0.000 0.929 1048 K CB -0.090 32.422 32.500 0.020 0.000 0.713 1048 K HN 0.077 nan 8.250 nan 0.000 0.439 1049 A N 0.828 123.663 122.820 0.026 0.000 2.067 1049 A HA -0.037 4.284 4.320 0.002 0.000 0.217 1049 A C 1.893 179.476 177.584 -0.001 0.000 1.156 1049 A CA 0.866 52.913 52.037 0.017 0.000 0.683 1049 A CB -0.144 18.870 19.000 0.024 0.000 0.808 1049 A HN 0.095 nan 8.150 nan 0.000 0.455 1050 I N -1.420 119.151 120.570 0.002 0.000 2.867 1050 I HA 0.104 4.275 4.170 0.002 0.000 0.265 1050 I C 1.744 177.862 176.117 0.001 0.000 1.162 1050 I CA 1.507 62.807 61.300 -0.001 0.000 1.471 1050 I CB -1.263 36.740 38.000 0.005 0.000 1.123 1050 I HN 0.492 nan 8.210 nan 0.000 0.440 1051 G N 2.290 111.092 108.800 0.004 0.000 2.165 1051 G HA2 -0.248 3.713 3.960 0.002 0.000 0.226 1051 G HA3 -0.248 3.713 3.960 0.002 0.000 0.226 1051 G C 0.352 175.254 174.900 0.003 0.000 1.035 1051 G CA 0.273 45.374 45.100 0.003 0.000 0.744 1051 G HN 0.445 nan 8.290 nan 0.000 0.501 1052 R N -0.755 119.748 120.500 0.004 0.000 2.634 1052 R HA 0.296 4.637 4.340 0.002 0.000 0.263 1052 R C -1.246 175.057 176.300 0.006 0.000 1.060 1052 R CA -0.911 55.191 56.100 0.004 0.000 0.898 1052 R CB 0.579 30.882 30.300 0.004 0.000 1.253 1052 R HN 0.072 nan 8.270 nan 0.000 0.461 1053 N N 2.170 120.873 118.700 0.005 0.000 2.434 1053 N HA -0.028 4.713 4.740 0.002 0.000 0.273 1053 N C 0.678 176.192 175.510 0.007 0.000 1.210 1053 N CA 0.563 53.616 53.050 0.005 0.000 0.992 1053 N CB 0.993 39.482 38.487 0.003 0.000 1.355 1053 N HN 0.662 nan 8.380 nan 0.000 0.495 1054 T N -0.248 114.312 114.554 0.010 0.000 2.812 1054 T HA -0.075 4.276 4.350 0.002 0.000 0.264 1054 T C 0.961 175.670 174.700 0.016 0.000 1.042 1054 T CA 0.324 62.433 62.100 0.015 0.000 1.140 1054 T CB -0.168 68.713 68.868 0.022 0.000 0.870 1054 T HN 0.602 nan 8.240 nan 0.000 0.445 1055 N N 1.289 119.996 118.700 0.012 0.000 2.725 1055 N HA -0.231 4.510 4.740 0.002 0.000 0.249 1055 N C 0.973 176.496 175.510 0.021 0.000 1.103 1055 N CA 1.165 54.223 53.050 0.012 0.000 0.707 1055 N CB -1.503 36.991 38.487 0.012 0.000 1.043 1055 N HN 1.050 nan 8.380 nan 0.000 0.553 1056 G N -2.111 106.705 108.800 0.027 0.000 2.217 1056 G HA2 -0.265 3.696 3.960 0.002 0.000 0.246 1056 G HA3 -0.265 3.696 3.960 0.002 0.000 0.246 1056 G C 0.024 174.958 174.900 0.056 0.000 0.990 1056 G CA 0.487 45.614 45.100 0.044 0.000 0.627 1056 G HN 0.923 nan 8.290 nan 0.000 0.522 1057 V N 2.340 122.281 119.914 0.045 0.000 2.581 1057 V HA 0.866 4.987 4.120 0.002 0.000 0.303 1057 V C 0.278 176.396 176.094 0.041 0.000 1.041 1057 V CA -0.259 62.069 62.300 0.046 0.000 0.907 1057 V CB 1.494 33.339 31.823 0.037 0.000 0.994 1057 V HN 0.921 nan 8.190 nan 0.000 0.442 1058 I N 2.823 123.420 120.570 0.045 0.000 3.264 1058 I HA 0.813 4.985 4.170 0.002 0.000 0.315 1058 I C -0.110 176.030 176.117 0.038 0.000 1.154 1058 I CA -0.664 60.660 61.300 0.039 0.000 0.962 1058 I CB 2.306 40.333 38.000 0.044 0.000 1.265 1058 I HN 0.650 nan 8.210 nan 0.000 0.463 1059 T N -1.435 113.138 114.554 0.031 0.000 2.912 1059 T HA 0.340 4.691 4.350 0.002 0.000 0.280 1059 T C 0.713 175.436 174.700 0.038 0.000 0.989 1059 T CA -0.587 61.530 62.100 0.028 0.000 0.995 1059 T CB 2.028 70.905 68.868 0.014 0.000 1.077 1059 T HN 0.894 nan 8.240 nan 0.000 0.531 1060 K N 0.213 120.636 120.400 0.039 0.000 2.009 1060 K HA -0.191 4.131 4.320 0.002 0.000 0.210 1060 K C 1.613 178.204 176.600 -0.016 0.000 1.049 1060 K CA 1.887 58.208 56.287 0.057 0.000 0.929 1060 K CB -0.366 32.168 32.500 0.056 0.000 0.714 1060 K HN 0.628 nan 8.250 nan 0.000 0.440 1061 D N 0.769 121.138 120.400 -0.051 0.000 2.133 1061 D HA -0.174 4.467 4.640 0.002 0.000 0.195 1061 D C 1.699 177.961 176.300 -0.063 0.000 0.997 1061 D CA 1.397 55.341 54.000 -0.094 0.000 0.840 1061 D CB 0.004 40.766 40.800 -0.064 0.000 0.947 1061 D HN 0.428 nan 8.370 nan 0.000 0.452 1062 E N 0.222 120.411 120.200 -0.017 0.000 2.208 1062 E HA -0.017 4.334 4.350 0.002 0.000 0.193 1062 E C 2.033 178.651 176.600 0.031 0.000 0.988 1062 E CA 0.567 56.968 56.400 0.001 0.000 0.828 1062 E CB 0.088 29.793 29.700 0.008 0.000 0.763 1062 E HN 0.170 nan 8.360 nan 0.000 0.478 1063 A N 1.306 124.165 122.820 0.065 0.000 1.968 1063 A HA -0.200 4.121 4.320 0.002 0.000 0.217 1063 A C 2.016 179.747 177.584 0.245 0.000 1.169 1063 A CA 1.247 53.374 52.037 0.151 0.000 0.638 1063 A CB -0.256 18.860 19.000 0.193 0.000 0.812 1063 A HN 0.197 nan 8.150 nan 0.000 0.446 1064 E N 0.003 120.256 120.200 0.088 0.000 2.150 1064 E HA -0.158 4.194 4.350 0.002 0.000 0.193 1064 E C 1.865 178.545 176.600 0.133 0.000 0.985 1064 E CA 1.126 57.522 56.400 -0.006 0.000 0.814 1064 E CB -0.041 29.296 29.700 -0.605 0.000 0.752 1064 E HN 0.597 nan 8.360 nan 0.000 0.466 1065 K N 0.107 120.536 120.400 0.048 0.000 2.062 1065 K HA -0.120 4.201 4.320 0.002 0.000 0.205 1065 K C 2.147 178.782 176.600 0.057 0.000 1.051 1065 K CA 0.656 56.964 56.287 0.035 0.000 0.941 1065 K CB -0.117 32.382 32.500 -0.002 0.000 0.719 1065 K HN 0.123 nan 8.250 nan 0.000 0.440 1066 L N 0.844 122.104 121.223 0.063 0.000 2.093 1066 L HA -0.119 4.223 4.340 0.002 0.000 0.208 1066 L C 1.985 178.924 176.870 0.114 0.000 1.085 1066 L CA 1.443 56.287 54.840 0.006 0.000 0.755 1066 L CB -0.627 41.383 42.059 -0.083 0.000 0.904 1066 L HN 0.076 nan 8.230 nan 0.000 0.435 1067 F N 0.222 120.237 119.950 0.108 0.000 2.186 1067 F HA -0.194 4.334 4.527 0.003 0.000 0.299 1067 F C 2.211 178.131 175.800 0.199 0.000 1.090 1067 F CA 1.500 59.631 58.000 0.219 0.000 1.307 1067 F CB -0.423 38.758 39.000 0.301 0.000 1.019 1067 F HN 0.208 nan 8.300 nan 0.000 0.489 1068 N N 0.598 119.288 118.700 -0.017 0.000 2.166 1068 N HA -0.175 4.566 4.740 0.002 0.000 0.186 1068 N C 1.793 177.237 175.510 -0.110 0.000 1.019 1068 N CA 1.514 54.482 53.050 -0.137 0.000 0.856 1068 N CB -0.489 37.992 38.487 -0.012 0.000 0.993 1068 N HN 0.530 nan 8.380 nan 0.000 0.426 1069 Q N 0.262 120.040 119.800 -0.038 0.000 2.079 1069 Q HA -0.082 4.259 4.340 0.002 0.000 0.200 1069 Q C 1.107 177.104 176.000 -0.005 0.000 0.974 1069 Q CA 0.980 56.774 55.803 -0.014 0.000 0.840 1069 Q CB 0.047 28.788 28.738 0.005 0.000 0.898 1069 Q HN 0.367 nan 8.270 nan 0.000 0.430 1070 D N 0.116 120.527 120.400 0.019 0.000 2.084 1070 D HA -0.135 4.507 4.640 0.002 0.000 0.194 1070 D C 2.045 178.374 176.300 0.049 0.000 0.990 1070 D CA 1.054 55.086 54.000 0.052 0.000 0.826 1070 D CB -0.243 40.656 40.800 0.166 0.000 0.971 1070 D HN 0.046 nan 8.370 nan 0.000 0.453 1071 V N 1.542 121.435 119.914 -0.036 0.000 2.324 1071 V HA -0.256 3.865 4.120 0.002 0.000 0.250 1071 V C 2.186 178.272 176.094 -0.013 0.000 1.060 1071 V CA 1.846 64.114 62.300 -0.054 0.000 1.042 1071 V CB -0.411 31.183 31.823 -0.381 0.000 0.650 1071 V HN 0.090 nan 8.190 nan 0.000 0.450 1072 D N 0.001 120.376 120.400 -0.041 0.000 2.084 1072 D HA -0.117 4.524 4.640 0.002 0.000 0.194 1072 D C 2.214 178.504 176.300 -0.018 0.000 0.990 1072 D CA 1.697 55.684 54.000 -0.022 0.000 0.826 1072 D CB -0.221 40.566 40.800 -0.022 0.000 0.971 1072 D HN 0.368 nan 8.370 nan 0.000 0.453 1073 A N 0.710 123.522 122.820 -0.013 0.000 1.933 1073 A HA -0.047 4.274 4.320 0.002 0.000 0.218 1073 A C 2.348 179.915 177.584 -0.029 0.000 1.175 1073 A CA 2.461 54.487 52.037 -0.020 0.000 0.628 1073 A CB -0.899 18.091 19.000 -0.016 0.000 0.814 1073 A HN 0.294 nan 8.150 nan 0.000 0.444 1074 A N -0.609 122.203 122.820 -0.013 0.000 1.883 1074 A HA -0.058 4.263 4.320 0.002 0.000 0.217 1074 A C 2.226 179.795 177.584 -0.026 0.000 1.186 1074 A CA 1.950 53.990 52.037 0.004 0.000 0.624 1074 A CB -0.965 18.108 19.000 0.122 0.000 0.822 1074 A HN 0.431 nan 8.150 nan 0.000 0.444 1075 V N -0.534 119.354 119.914 -0.043 0.000 2.515 1075 V HA -0.191 3.930 4.120 0.002 0.000 0.250 1075 V C 2.646 178.624 176.094 -0.192 0.000 1.058 1075 V CA 2.140 64.345 62.300 -0.158 0.000 1.064 1075 V CB -0.795 30.958 31.823 -0.116 0.000 0.675 1075 V HN 0.471 nan 8.190 nan 0.000 0.461 1076 R N 0.933 121.371 120.500 -0.104 0.000 2.083 1076 R HA -0.123 4.218 4.340 0.002 0.000 0.237 1076 R C 2.339 178.590 176.300 -0.082 0.000 1.137 1076 R CA 1.765 57.816 56.100 -0.082 0.000 0.951 1076 R CB -1.301 28.970 30.300 -0.048 0.000 0.851 1076 R HN 0.525 nan 8.270 nan 0.000 0.434 1077 G N -0.338 108.420 108.800 -0.070 0.000 2.443 1077 G HA2 -0.179 3.783 3.960 0.002 0.000 0.219 1077 G HA3 -0.179 3.783 3.960 0.002 0.000 0.219 1077 G C 1.439 176.300 174.900 -0.065 0.000 1.131 1077 G CA 0.657 45.724 45.100 -0.056 0.000 0.775 1077 G HN 0.266 nan 8.290 nan 0.000 0.547 1078 I N 0.486 120.994 120.570 -0.103 0.000 2.179 1078 I HA -0.109 4.063 4.170 0.002 0.000 0.242 1078 I C 2.346 178.392 176.117 -0.119 0.000 1.088 1078 I CA 0.831 62.059 61.300 -0.120 0.000 1.357 1078 I CB -0.108 37.755 38.000 -0.229 0.000 1.051 1078 I HN 0.086 nan 8.210 nan 0.000 0.409 1079 L N 0.064 121.193 121.223 -0.157 0.000 2.551 1079 L HA -0.039 4.302 4.340 0.002 0.000 0.228 1079 L C 2.280 179.121 176.870 -0.049 0.000 1.153 1079 L CA 0.618 55.398 54.840 -0.100 0.000 0.851 1079 L CB -0.473 41.521 42.059 -0.108 0.000 0.959 1079 L HN 0.200 nan 8.230 nan 0.000 0.451 1080 R N -0.751 119.721 120.500 -0.046 0.000 2.237 1080 R HA 0.084 4.425 4.340 0.002 0.000 0.195 1080 R C 0.712 177.002 176.300 -0.016 0.000 0.956 1080 R CA -0.120 55.965 56.100 -0.026 0.000 1.029 1080 R CB 0.172 30.456 30.300 -0.025 0.000 0.972 1080 R HN 0.204 nan 8.270 nan 0.000 0.493 1081 N N 0.804 119.493 118.700 -0.018 0.000 2.444 1081 N HA 0.089 4.830 4.740 0.002 0.000 0.271 1081 N C 0.260 175.772 175.510 0.005 0.000 1.069 1081 N CA 0.105 53.152 53.050 -0.005 0.000 0.965 1081 N CB 1.795 40.280 38.487 -0.003 0.000 1.092 1081 N HN 0.053 nan 8.380 nan 0.000 0.476 1082 A N 4.543 127.369 122.820 0.009 0.000 2.016 1082 A HA -0.043 4.278 4.320 0.002 0.000 0.217 1082 A C 1.942 179.539 177.584 0.022 0.000 1.162 1082 A CA 1.066 53.111 52.037 0.014 0.000 0.662 1082 A CB -0.000 19.007 19.000 0.011 0.000 0.812 1082 A HN 0.754 nan 8.150 nan 0.000 0.450 1083 K N -0.376 120.038 120.400 0.023 0.000 2.062 1083 K HA 0.081 4.402 4.320 0.002 0.000 0.205 1083 K C 1.649 178.274 176.600 0.043 0.000 1.051 1083 K CA 1.212 57.517 56.287 0.031 0.000 0.941 1083 K CB -0.221 32.298 32.500 0.032 0.000 0.719 1083 K HN 0.428 nan 8.250 nan 0.000 0.440 1084 L N 0.658 121.908 121.223 0.044 0.000 2.202 1084 L HA -0.016 4.326 4.340 0.002 0.000 0.205 1084 L C 2.465 179.387 176.870 0.086 0.000 1.083 1084 L CA 0.650 55.528 54.840 0.063 0.000 0.790 1084 L CB -0.224 41.864 42.059 0.050 0.000 0.942 1084 L HN 0.098 nan 8.230 nan 0.000 0.452 1085 K N 0.929 121.364 120.400 0.058 0.000 2.032 1085 K HA -0.174 4.147 4.320 0.002 0.000 0.209 1085 K C -0.581 176.094 176.600 0.124 0.000 1.048 1085 K CA 1.624 57.955 56.287 0.073 0.000 0.927 1085 K CB -0.817 31.702 32.500 0.032 0.000 0.712 1085 K HN 0.117 nan 8.250 nan 0.000 0.441 1086 P HA -0.148 nan 4.420 nan 0.000 0.216 1086 P C 1.311 178.670 177.300 0.097 0.000 1.150 1086 P CA 1.160 64.309 63.100 0.082 0.000 0.837 1086 P CB 0.036 31.767 31.700 0.052 0.000 0.786 1087 V N -1.535 118.444 119.914 0.109 0.000 2.307 1087 V HA -0.250 3.871 4.120 0.002 0.000 0.245 1087 V C 2.332 178.521 176.094 0.159 0.000 1.045 1087 V CA 1.608 63.977 62.300 0.115 0.000 1.024 1087 V CB -1.701 30.184 31.823 0.104 0.000 0.651 1087 V HN 0.028 nan 8.190 nan 0.000 0.449 1088 Y N 1.660 122.002 120.300 0.071 0.000 2.256 1088 Y HA -0.256 4.295 4.550 0.002 0.000 0.288 1088 Y C 2.251 178.193 175.900 0.070 0.000 1.155 1088 Y CA 1.970 60.116 58.100 0.077 0.000 1.203 1088 Y CB -0.205 38.293 38.460 0.063 0.000 0.980 1088 Y HN 0.308 nan 8.280 nan 0.000 0.530 1089 D N -0.922 119.605 120.400 0.211 0.000 2.178 1089 D HA -0.141 4.500 4.640 0.002 0.000 0.202 1089 D C 2.287 178.617 176.300 0.051 0.000 0.974 1089 D CA 1.561 55.638 54.000 0.128 0.000 0.841 1089 D CB -0.371 40.507 40.800 0.129 0.000 0.953 1089 D HN 0.454 nan 8.370 nan 0.000 0.478 1090 S N -0.636 115.100 115.700 0.059 0.000 2.593 1090 S HA 0.085 4.556 4.470 0.002 0.000 0.217 1090 S C 0.794 175.444 174.600 0.082 0.000 0.966 1090 S CA -0.264 57.973 58.200 0.063 0.000 0.914 1090 S CB -0.111 63.129 63.200 0.067 0.000 0.776 1090 S HN 0.059 nan 8.310 nan 0.000 0.523 1091 L N 3.050 124.289 121.223 0.026 0.000 2.343 1091 L HA 0.422 4.764 4.340 0.002 0.000 0.275 1091 L C 0.117 176.949 176.870 -0.063 0.000 1.056 1091 L CA -1.057 53.801 54.840 0.030 0.000 0.804 1091 L CB 0.847 42.913 42.059 0.012 0.000 1.203 1091 L HN 0.331 nan 8.230 nan 0.000 0.440 1092 D N 1.725 122.096 120.400 -0.049 0.000 2.361 1092 D HA 0.036 4.678 4.640 0.002 0.000 0.239 1092 D C 0.885 177.108 176.300 -0.128 0.000 1.200 1092 D CA -0.055 53.895 54.000 -0.084 0.000 0.915 1092 D CB 1.302 42.045 40.800 -0.096 0.000 1.170 1092 D HN 0.580 nan 8.370 nan 0.000 0.444 1093 A N 1.551 124.316 122.820 -0.091 0.000 1.903 1093 A HA -0.193 4.128 4.320 0.002 0.000 0.219 1093 A C 2.417 179.958 177.584 -0.073 0.000 1.191 1093 A CA 2.304 54.307 52.037 -0.056 0.000 0.638 1093 A CB -1.076 17.938 19.000 0.024 0.000 0.823 1093 A HN 0.481 nan 8.150 nan 0.000 0.451 1094 V N -0.145 119.679 119.914 -0.150 0.000 2.287 1094 V HA -0.304 3.818 4.120 0.002 0.000 0.248 1094 V C 2.607 178.411 176.094 -0.484 0.000 1.053 1094 V CA 2.415 64.451 62.300 -0.440 0.000 1.027 1094 V CB -0.837 30.558 31.823 -0.713 0.000 0.646 1094 V HN 0.543 nan 8.190 nan 0.000 0.447 1095 R N -0.655 119.628 120.500 -0.361 0.000 2.193 1095 R HA 0.002 4.343 4.340 0.002 0.000 0.213 1095 R C 2.483 178.695 176.300 -0.146 0.000 1.055 1095 R CA 0.685 56.605 56.100 -0.300 0.000 0.995 1095 R CB -0.195 30.003 30.300 -0.169 0.000 0.893 1095 R HN 0.503 nan 8.270 nan 0.000 0.459 1096 R N 0.241 120.662 120.500 -0.132 0.000 2.090 1096 R HA 0.026 4.367 4.340 0.002 0.000 0.228 1096 R C 2.283 178.595 176.300 0.020 0.000 1.110 1096 R CA 1.087 57.140 56.100 -0.078 0.000 0.973 1096 R CB -0.219 29.915 30.300 -0.275 0.000 0.869 1096 R HN 0.137 nan 8.270 nan 0.000 0.440 1097 A N 1.557 124.365 122.820 -0.021 0.000 1.908 1097 A HA -0.183 4.138 4.320 0.002 0.000 0.218 1097 A C 2.388 179.935 177.584 -0.063 0.000 1.181 1097 A CA 1.820 53.874 52.037 0.029 0.000 0.627 1097 A CB -0.687 18.414 19.000 0.167 0.000 0.818 1097 A HN 0.395 nan 8.150 nan 0.000 0.445 1098 A N -0.689 121.977 122.820 -0.257 0.000 1.883 1098 A HA -0.103 4.218 4.320 0.002 0.000 0.217 1098 A C 2.177 179.675 177.584 -0.143 0.000 1.186 1098 A CA 1.864 53.617 52.037 -0.474 0.000 0.624 1098 A CB -0.616 17.525 19.000 -1.430 0.000 0.822 1098 A HN 0.636 nan 8.150 nan 0.000 0.444 1099 L N -0.432 120.845 121.223 0.090 0.000 2.109 1099 L HA -0.005 4.336 4.340 0.002 0.000 0.207 1099 L C 2.264 179.235 176.870 0.169 0.000 1.086 1099 L CA 1.372 56.367 54.840 0.259 0.000 0.760 1099 L CB -0.309 41.942 42.059 0.319 0.000 0.910 1099 L HN 0.432 nan 8.230 nan 0.000 0.437 1100 I N -0.215 120.456 120.570 0.169 0.000 2.163 1100 I HA -0.357 3.814 4.170 0.002 0.000 0.243 1100 I C 2.405 178.635 176.117 0.187 0.000 1.085 1100 I CA 1.506 62.919 61.300 0.187 0.000 1.347 1100 I CB -0.613 37.476 38.000 0.148 0.000 1.044 1100 I HN 0.454 nan 8.210 nan 0.000 0.408 1101 N N 1.354 120.099 118.700 0.075 0.000 2.037 1101 N HA -0.248 4.493 4.740 0.002 0.000 0.196 1101 N C 1.934 177.534 175.510 0.150 0.000 1.034 1101 N CA 2.074 55.173 53.050 0.081 0.000 0.861 1101 N CB -0.175 38.348 38.487 0.060 0.000 1.039 1101 N HN 0.305 nan 8.380 nan 0.000 0.427 1102 M N -0.114 119.526 119.600 0.067 0.000 2.159 1102 M HA -0.116 4.365 4.480 0.002 0.000 0.263 1102 M C 2.248 178.543 176.300 -0.009 0.000 1.063 1102 M CA 0.915 56.165 55.300 -0.083 0.000 1.110 1102 M CB -0.107 32.325 32.600 -0.280 0.000 1.374 1102 M HN -0.038 nan 8.290 nan 0.000 0.411 1103 V N -0.237 119.730 119.914 0.089 0.000 2.343 1103 V HA -0.251 3.870 4.120 0.002 0.000 0.247 1103 V C 2.076 178.258 176.094 0.148 0.000 1.051 1103 V CA 1.804 64.168 62.300 0.106 0.000 1.036 1103 V CB -0.703 31.197 31.823 0.127 0.000 0.654 1103 V HN 0.276 nan 8.190 nan 0.000 0.451 1104 F N 0.122 120.094 119.950 0.036 0.000 2.202 1104 F HA -0.208 4.320 4.527 0.001 0.000 0.301 1104 F C 2.535 178.363 175.800 0.046 0.000 1.082 1104 F CA 2.094 60.130 58.000 0.061 0.000 1.313 1104 F CB -0.278 38.788 39.000 0.111 0.000 1.024 1104 F HN 0.176 nan 8.300 nan 0.000 0.495 1105 Q N -0.793 119.129 119.800 0.202 0.000 2.134 1105 Q HA -0.037 4.304 4.340 0.002 0.000 0.195 1105 Q C 1.757 177.793 176.000 0.060 0.000 0.958 1105 Q CA 0.928 56.809 55.803 0.130 0.000 0.840 1105 Q CB 0.113 28.939 28.738 0.146 0.000 0.918 1105 Q HN 0.337 nan 8.270 nan 0.000 0.467 1106 M N -0.211 119.401 119.600 0.020 0.000 2.333 1106 M HA 0.248 4.729 4.480 0.002 0.000 0.257 1106 M C 0.206 176.511 176.300 0.008 0.000 1.078 1106 M CA 0.330 55.636 55.300 0.009 0.000 1.005 1106 M CB 1.610 34.198 32.600 -0.020 0.000 1.444 1106 M HN 0.290 nan 8.290 nan 0.000 0.496 1107 G N 1.450 110.247 108.800 -0.004 0.000 2.757 1107 G HA2 -0.231 3.730 3.960 0.002 0.000 0.686 1107 G HA3 -0.231 3.730 3.960 0.002 0.000 0.686 1107 G C 0.161 175.061 174.900 0.001 0.000 1.452 1107 G CA -0.009 45.080 45.100 -0.017 0.000 0.922 1107 G HN 0.530 nan 8.290 nan 0.000 0.588 1108 E N -0.209 119.988 120.200 -0.006 0.000 2.118 1108 E HA -0.167 4.184 4.350 0.002 0.000 0.195 1108 E C 2.456 179.067 176.600 0.019 0.000 0.992 1108 E CA 2.082 58.486 56.400 0.007 0.000 0.804 1108 E CB -0.149 29.547 29.700 -0.007 0.000 0.741 1108 E HN 0.622 nan 8.360 nan 0.000 0.458 1109 T N -0.299 114.263 114.554 0.013 0.000 2.701 1109 T HA -0.099 4.252 4.350 0.002 0.000 0.263 1109 T C 1.652 176.372 174.700 0.033 0.000 1.040 1109 T CA 1.334 63.444 62.100 0.017 0.000 1.147 1109 T CB -0.727 68.144 68.868 0.005 0.000 0.865 1109 T HN 0.447 nan 8.240 nan 0.000 0.426 1110 G N 1.218 110.039 108.800 0.036 0.000 2.529 1110 G HA2 -0.241 3.720 3.960 0.002 0.000 0.219 1110 G HA3 -0.241 3.720 3.960 0.002 0.000 0.219 1110 G C 1.702 176.699 174.900 0.162 0.000 1.177 1110 G CA 1.328 46.465 45.100 0.061 0.000 0.773 1110 G HN 0.447 nan 8.290 nan 0.000 0.573 1111 V N 1.599 121.609 119.914 0.160 0.000 2.392 1111 V HA -0.143 3.978 4.120 0.002 0.000 0.249 1111 V C 3.287 179.527 176.094 0.244 0.000 1.059 1111 V CA 1.968 64.390 62.300 0.204 0.000 1.051 1111 V CB -0.905 30.933 31.823 0.026 0.000 0.658 1111 V HN 0.507 nan 8.190 nan 0.000 0.455 1112 A N 0.419 123.318 122.820 0.130 0.000 2.125 1112 A HA -0.005 4.317 4.320 0.002 0.000 0.219 1112 A C 2.223 179.859 177.584 0.087 0.000 1.156 1112 A CA 1.471 53.564 52.037 0.093 0.000 0.671 1112 A CB -0.757 18.273 19.000 0.050 0.000 0.794 1112 A HN 0.562 nan 8.150 nan 0.000 0.459 1113 G N -1.898 106.950 108.800 0.080 0.000 2.813 1113 G HA2 0.144 4.105 3.960 0.002 0.000 0.209 1113 G HA3 0.144 4.105 3.960 0.002 0.000 0.209 1113 G C 0.409 175.282 174.900 -0.045 0.000 1.150 1113 G CA -0.161 44.930 45.100 -0.015 0.000 0.785 1113 G HN 0.418 nan 8.290 nan 0.000 0.535 1114 F N 2.329 122.269 119.950 -0.017 0.000 2.668 1114 F HA 0.168 4.696 4.527 0.002 0.000 0.365 1114 F C 1.994 177.785 175.800 -0.016 0.000 1.165 1114 F CA -0.133 57.859 58.000 -0.012 0.000 1.344 1114 F CB -0.177 38.805 39.000 -0.031 0.000 1.658 1114 F HN -0.058 nan 8.300 nan 0.000 0.620 1115 T N -0.726 113.883 114.554 0.091 0.000 2.720 1115 T HA -0.227 4.125 4.350 0.002 0.000 0.268 1115 T C 1.840 176.570 174.700 0.050 0.000 1.037 1115 T CA 1.659 63.794 62.100 0.057 0.000 1.144 1115 T CB -0.085 68.797 68.868 0.022 0.000 0.864 1115 T HN 0.329 nan 8.240 nan 0.000 0.444 1116 N N 0.463 119.194 118.700 0.052 0.000 2.290 1116 N HA 0.094 4.835 4.740 0.002 0.000 0.179 1116 N C 2.171 177.702 175.510 0.035 0.000 1.016 1116 N CA 0.597 53.667 53.050 0.033 0.000 0.871 1116 N CB -0.345 38.156 38.487 0.023 0.000 0.987 1116 N HN 0.218 nan 8.380 nan 0.000 0.431 1117 S N 1.008 116.754 115.700 0.078 0.000 2.356 1117 S HA 0.019 4.490 4.470 0.002 0.000 0.223 1117 S C 1.999 176.580 174.600 -0.032 0.000 1.032 1117 S CA 0.672 58.897 58.200 0.042 0.000 1.005 1117 S CB -0.341 62.928 63.200 0.114 0.000 0.867 1117 S HN 0.225 nan 8.310 nan 0.000 0.449 1118 L N 1.066 122.286 121.223 -0.004 0.000 2.079 1118 L HA -0.129 4.213 4.340 0.002 0.000 0.210 1118 L C 2.785 179.639 176.870 -0.027 0.000 1.081 1118 L CA 1.266 56.086 54.840 -0.033 0.000 0.752 1118 L CB -0.399 41.672 42.059 0.019 0.000 0.896 1118 L HN 0.256 nan 8.230 nan 0.000 0.433 1119 R N 0.118 120.609 120.500 -0.015 0.000 2.092 1119 R HA -0.125 4.216 4.340 0.002 0.000 0.231 1119 R C 2.284 178.548 176.300 -0.060 0.000 1.119 1119 R CA 1.252 57.336 56.100 -0.026 0.000 0.970 1119 R CB -0.081 30.210 30.300 -0.016 0.000 0.864 1119 R HN 0.321 nan 8.270 nan 0.000 0.440 1120 M N 0.307 119.866 119.600 -0.068 0.000 2.229 1120 M HA -0.132 4.350 4.480 0.002 0.000 0.264 1120 M C 2.135 178.331 176.300 -0.173 0.000 1.063 1120 M CA 1.375 56.609 55.300 -0.110 0.000 1.114 1120 M CB -0.110 32.443 32.600 -0.079 0.000 1.387 1120 M HN 0.138 nan 8.290 nan 0.000 0.420 1121 L N -0.218 120.935 121.223 -0.116 0.000 2.056 1121 L HA -0.214 4.127 4.340 0.002 0.000 0.207 1121 L C 2.705 179.520 176.870 -0.092 0.000 1.078 1121 L CA 1.390 56.194 54.840 -0.060 0.000 0.749 1121 L CB -0.674 41.376 42.059 -0.014 0.000 0.901 1121 L HN 0.401 nan 8.230 nan 0.000 0.433 1122 Q N 0.026 119.789 119.800 -0.061 0.000 2.226 1122 Q HA -0.245 4.096 4.340 0.002 0.000 0.204 1122 Q C 1.904 177.836 176.000 -0.114 0.000 0.975 1122 Q CA 1.388 57.166 55.803 -0.041 0.000 0.866 1122 Q CB 0.113 28.842 28.738 -0.014 0.000 0.915 1122 Q HN 0.537 nan 8.270 nan 0.000 0.440 1123 Q N -0.290 119.399 119.800 -0.184 0.000 2.403 1123 Q HA 0.039 4.381 4.340 0.002 0.000 0.203 1123 Q C -0.420 175.348 176.000 -0.386 0.000 0.932 1123 Q CA 0.124 55.798 55.803 -0.215 0.000 0.945 1123 Q CB 0.494 29.132 28.738 -0.167 0.000 1.045 1123 Q HN 0.212 nan 8.270 nan 0.000 0.511 1124 K N 0.018 120.011 120.400 -0.678 0.000 3.160 1124 K HA -0.210 4.111 4.320 0.002 0.000 0.280 1124 K C -0.745 174.981 176.600 -1.456 0.000 1.154 1124 K CA 0.568 55.965 56.287 -1.484 0.000 0.822 1124 K CB -1.276 30.758 32.500 -0.775 0.000 1.239 1124 K HN 0.254 nan 8.250 nan 0.000 0.489 1125 R N 0.409 120.411 120.500 -0.830 0.000 3.266 1125 R HA 0.074 4.415 4.340 0.002 0.000 0.224 1125 R C 0.638 176.770 176.300 -0.281 0.000 1.525 1125 R CA -0.218 55.607 56.100 -0.458 0.000 1.364 1125 R CB -0.243 29.911 30.300 -0.243 0.000 1.276 1125 R HN 0.289 nan 8.270 nan 0.000 0.660 1126 W N 0.884 122.188 121.300 0.007 0.000 2.379 1126 W HA -0.133 4.529 4.660 0.002 0.000 0.307 1126 W C 1.555 178.082 176.519 0.014 0.000 1.200 1126 W CA 0.315 57.671 57.345 0.018 0.000 1.297 1126 W CB -0.013 29.467 29.460 0.033 0.000 1.140 1126 W HN 0.408 nan 8.180 nan 0.000 0.507 1127 D N 0.536 121.057 120.400 0.201 0.000 2.084 1127 D HA -0.160 4.481 4.640 0.002 0.000 0.196 1127 D C 1.772 178.109 176.300 0.062 0.000 0.985 1127 D CA 1.516 55.585 54.000 0.115 0.000 0.826 1127 D CB -0.398 40.450 40.800 0.080 0.000 0.978 1127 D HN 0.333 nan 8.370 nan 0.000 0.456 1128 E N 0.967 121.183 120.200 0.027 0.000 2.065 1128 E HA -0.216 4.136 4.350 0.002 0.000 0.201 1128 E C 2.149 178.757 176.600 0.013 0.000 1.016 1128 E CA 1.259 57.661 56.400 0.004 0.000 0.818 1128 E CB -0.104 29.582 29.700 -0.024 0.000 0.749 1128 E HN 0.176 nan 8.360 nan 0.000 0.453 1129 A N 1.278 124.111 122.820 0.021 0.000 1.902 1129 A HA -0.136 4.185 4.320 0.002 0.000 0.217 1129 A C 2.383 179.993 177.584 0.044 0.000 1.181 1129 A CA 1.796 53.843 52.037 0.018 0.000 0.623 1129 A CB -0.694 18.311 19.000 0.008 0.000 0.818 1129 A HN 0.315 nan 8.150 nan 0.000 0.443 1130 A N -0.537 122.336 122.820 0.088 0.000 1.883 1130 A HA -0.036 4.285 4.320 0.002 0.000 0.217 1130 A C 2.252 179.846 177.584 0.016 0.000 1.186 1130 A CA 1.880 53.969 52.037 0.087 0.000 0.624 1130 A CB -1.039 18.024 19.000 0.105 0.000 0.822 1130 A HN 0.398 nan 8.150 nan 0.000 0.444 1131 V N 0.599 120.515 119.914 0.003 0.000 2.255 1131 V HA -0.285 3.837 4.120 0.002 0.000 0.247 1131 V C 2.433 178.503 176.094 -0.040 0.000 1.051 1131 V CA 2.456 64.735 62.300 -0.034 0.000 1.018 1131 V CB -1.071 30.741 31.823 -0.019 0.000 0.641 1131 V HN 0.703 nan 8.190 nan 0.000 0.445 1132 N N -0.184 118.516 118.700 -0.001 0.000 2.166 1132 N HA -0.110 4.631 4.740 0.002 0.000 0.186 1132 N C 1.629 177.176 175.510 0.063 0.000 1.019 1132 N CA 1.299 54.364 53.050 0.025 0.000 0.856 1132 N CB -0.251 38.261 38.487 0.042 0.000 0.993 1132 N HN 0.430 nan 8.380 nan 0.000 0.426 1133 L N -0.456 120.818 121.223 0.085 0.000 2.141 1133 L HA -0.000 4.341 4.340 0.002 0.000 0.209 1133 L C 2.030 178.948 176.870 0.079 0.000 1.094 1133 L CA 0.879 55.840 54.840 0.203 0.000 0.763 1133 L CB -0.391 41.818 42.059 0.250 0.000 0.908 1133 L HN 0.178 nan 8.230 nan 0.000 0.437 1134 A N -0.260 122.439 122.820 -0.202 0.000 2.216 1134 A HA -0.133 4.188 4.320 0.002 0.000 0.214 1134 A C 2.048 179.368 177.584 -0.440 0.000 1.160 1134 A CA 1.094 52.684 52.037 -0.746 0.000 0.725 1134 A CB -0.266 18.218 19.000 -0.860 0.000 0.784 1134 A HN 0.349 nan 8.150 nan 0.000 0.472 1135 K N 0.449 120.785 120.400 -0.106 0.000 2.367 1135 K HA 0.074 4.396 4.320 0.002 0.000 0.194 1135 K C 0.733 177.391 176.600 0.096 0.000 1.027 1135 K CA 0.461 56.746 56.287 -0.004 0.000 1.075 1135 K CB 0.361 32.861 32.500 -0.001 0.000 0.845 1135 K HN 0.546 nan 8.250 nan 0.000 0.529 1136 S N 0.228 116.040 115.700 0.187 0.000 2.624 1136 S HA 0.190 4.661 4.470 0.002 0.000 0.263 1136 S C 0.919 175.671 174.600 0.253 0.000 1.287 1136 S CA -0.636 57.711 58.200 0.244 0.000 0.990 1136 S CB 1.395 64.868 63.200 0.455 0.000 0.950 1136 S HN 0.064 nan 8.310 nan 0.000 0.561 1137 R N -0.678 119.945 120.500 0.205 0.000 2.148 1137 R HA -0.013 4.328 4.340 0.002 0.000 0.227 1137 R C 1.849 178.319 176.300 0.283 0.000 1.103 1137 R CA 1.417 57.629 56.100 0.187 0.000 0.983 1137 R CB -0.370 30.001 30.300 0.119 0.000 0.874 1137 R HN 0.857 nan 8.270 nan 0.000 0.451 1138 W N 0.278 121.701 121.300 0.204 0.000 2.354 1138 W HA -0.264 4.397 4.660 0.002 0.000 0.315 1138 W C 1.824 178.464 176.519 0.202 0.000 1.206 1138 W CA 1.212 58.702 57.345 0.243 0.000 1.290 1138 W CB -0.923 28.786 29.460 0.415 0.000 1.152 1138 W HN 0.093 nan 8.180 nan 0.000 0.489 1139 Y N 1.792 122.039 120.300 -0.088 0.000 2.114 1139 Y HA -0.248 4.304 4.550 0.003 0.000 0.284 1139 Y C 2.450 178.254 175.900 -0.161 0.000 1.143 1139 Y CA 2.732 60.635 58.100 -0.328 0.000 1.135 1139 Y CB -1.022 37.323 38.460 -0.193 0.000 0.980 1139 Y HN -0.015 nan 8.280 nan 0.000 0.499 1140 N N -0.079 118.665 118.700 0.074 0.000 2.289 1140 N HA -0.196 4.545 4.740 0.002 0.000 0.184 1140 N C 1.596 177.073 175.510 -0.055 0.000 1.016 1140 N CA 1.584 54.645 53.050 0.019 0.000 0.872 1140 N CB -0.130 38.415 38.487 0.097 0.000 0.973 1140 N HN 0.627 nan 8.380 nan 0.000 0.433 1141 Q N -0.402 119.382 119.800 -0.027 0.000 2.200 1141 Q HA 0.011 4.352 4.340 0.002 0.000 0.197 1141 Q C 0.470 176.432 176.000 -0.064 0.000 0.953 1141 Q CA 0.921 56.719 55.803 -0.009 0.000 0.851 1141 Q CB 0.430 29.211 28.738 0.071 0.000 0.938 1141 Q HN 0.265 nan 8.270 nan 0.000 0.488 1142 T N -1.543 112.940 114.554 -0.119 0.000 3.390 1142 T HA 0.274 4.625 4.350 0.002 0.000 0.351 1142 T C -2.365 172.113 174.700 -0.370 0.000 1.759 1142 T CA -1.735 60.275 62.100 -0.151 0.000 1.561 1142 T CB 1.101 69.982 68.868 0.022 0.000 1.011 1142 T HN -0.044 nan 8.240 nan 0.000 0.689 1143 P HA -0.049 nan 4.420 nan 0.000 0.217 1143 P C 1.201 178.250 177.300 -0.418 0.000 1.151 1143 P CA 0.796 63.475 63.100 -0.703 0.000 0.828 1143 P CB 0.285 31.583 31.700 -0.670 0.000 0.788 1144 N N 0.434 118.984 118.700 -0.251 0.000 2.025 1144 N HA -0.172 4.569 4.740 0.002 0.000 0.194 1144 N C 2.044 177.468 175.510 -0.144 0.000 1.044 1144 N CA 1.228 54.180 53.050 -0.164 0.000 0.851 1144 N CB -0.908 37.515 38.487 -0.106 0.000 1.036 1144 N HN 0.149 nan 8.380 nan 0.000 0.422 1145 R N 0.760 121.199 120.500 -0.101 0.000 2.088 1145 R HA -0.057 4.284 4.340 0.002 0.000 0.232 1145 R C 2.114 178.385 176.300 -0.047 0.000 1.136 1145 R CA 1.799 57.892 56.100 -0.012 0.000 0.926 1145 R CB -0.484 29.876 30.300 0.101 0.000 0.837 1145 R HN 0.204 nan 8.270 nan 0.000 0.429 1146 A N 0.748 123.418 122.820 -0.250 0.000 1.986 1146 A HA -0.221 4.101 4.320 0.002 0.000 0.220 1146 A C 2.050 179.503 177.584 -0.220 0.000 1.171 1146 A CA 1.886 53.584 52.037 -0.565 0.000 0.640 1146 A CB -0.423 17.736 19.000 -1.401 0.000 0.811 1146 A HN 0.400 nan 8.150 nan 0.000 0.451 1147 K N -0.647 119.663 120.400 -0.149 0.000 2.026 1147 K HA -0.110 4.212 4.320 0.002 0.000 0.208 1147 K C 2.375 178.944 176.600 -0.050 0.000 1.048 1147 K CA 1.571 57.847 56.287 -0.018 0.000 0.929 1147 K CB -0.162 32.314 32.500 -0.041 0.000 0.713 1147 K HN 0.444 nan 8.250 nan 0.000 0.439 1148 R N 0.117 120.541 120.500 -0.127 0.000 2.070 1148 R HA -0.096 4.246 4.340 0.002 0.000 0.233 1148 R C 2.272 178.535 176.300 -0.063 0.000 1.137 1148 R CA 1.457 57.410 56.100 -0.245 0.000 0.945 1148 R CB -0.595 29.343 30.300 -0.604 0.000 0.845 1148 R HN 0.019 nan 8.270 nan 0.000 0.430 1149 V N 1.638 121.601 119.914 0.081 0.000 2.332 1149 V HA -0.262 3.859 4.120 0.002 0.000 0.248 1149 V C 2.276 178.459 176.094 0.149 0.000 1.055 1149 V CA 1.833 64.225 62.300 0.152 0.000 1.038 1149 V CB -0.437 31.629 31.823 0.405 0.000 0.651 1149 V HN 0.275 nan 8.190 nan 0.000 0.450 1150 I N -0.234 120.483 120.570 0.244 0.000 2.315 1150 I HA -0.200 3.971 4.170 0.002 0.000 0.248 1150 I C 2.476 178.696 176.117 0.171 0.000 1.117 1150 I CA 1.645 63.131 61.300 0.310 0.000 1.404 1150 I CB -0.562 37.553 38.000 0.192 0.000 1.071 1150 I HN 0.280 nan 8.210 nan 0.000 0.419 1151 T N -0.075 114.514 114.554 0.059 0.000 2.867 1151 T HA -0.139 4.212 4.350 0.002 0.000 0.268 1151 T C 1.911 176.584 174.700 -0.046 0.000 1.057 1151 T CA 1.851 63.954 62.100 0.004 0.000 1.136 1151 T CB -0.260 68.590 68.868 -0.030 0.000 0.874 1151 T HN 0.378 nan 8.240 nan 0.000 0.466 1152 T N 1.804 116.302 114.554 -0.093 0.000 2.674 1152 T HA -0.037 4.314 4.350 0.002 0.000 0.265 1152 T C 1.573 176.091 174.700 -0.304 0.000 1.039 1152 T CA 1.053 62.997 62.100 -0.259 0.000 1.150 1152 T CB -0.533 68.124 68.868 -0.351 0.000 0.864 1152 T HN 0.258 nan 8.240 nan 0.000 0.427 1153 F N 1.411 121.292 119.950 -0.116 0.000 2.126 1153 F HA -0.024 4.504 4.527 0.002 0.000 0.299 1153 F C 2.609 178.307 175.800 -0.169 0.000 1.096 1153 F CA 0.875 58.802 58.000 -0.122 0.000 1.255 1153 F CB -0.547 38.483 39.000 0.049 0.000 0.997 1153 F HN -0.001 nan 8.300 nan 0.000 0.479 1154 R N -0.052 120.521 120.500 0.121 0.000 2.070 1154 R HA -0.169 4.173 4.340 0.002 0.000 0.232 1154 R C 2.323 178.567 176.300 -0.094 0.000 1.138 1154 R CA 2.376 58.529 56.100 0.088 0.000 0.936 1154 R CB -0.535 29.813 30.300 0.081 0.000 0.839 1154 R HN 0.443 nan 8.270 nan 0.000 0.429 1155 T N -4.095 110.366 114.554 -0.156 0.000 2.976 1155 T HA 0.154 4.505 4.350 0.002 0.000 0.257 1155 T C 1.333 175.833 174.700 -0.333 0.000 1.051 1155 T CA 0.675 62.661 62.100 -0.189 0.000 1.141 1155 T CB 0.257 69.060 68.868 -0.107 0.000 0.881 1155 T HN 0.444 nan 8.240 nan 0.000 0.461 1156 G N 1.855 110.402 108.800 -0.421 0.000 2.160 1156 G HA2 -0.177 3.784 3.960 0.002 0.000 0.244 1156 G HA3 -0.177 3.784 3.960 0.002 0.000 0.244 1156 G C 0.197 174.850 174.900 -0.411 0.000 1.022 1156 G CA 0.677 45.489 45.100 -0.480 0.000 0.741 1156 G HN 1.207 nan 8.290 nan 0.000 0.508 1157 T N -4.493 109.837 114.554 -0.373 0.000 2.883 1157 T HA 0.632 4.983 4.350 0.002 0.000 0.284 1157 T C 0.383 174.833 174.700 -0.417 0.000 1.041 1157 T CA -0.426 61.493 62.100 -0.302 0.000 1.007 1157 T CB 1.359 70.188 68.868 -0.065 0.000 1.220 1157 T HN 0.352 nan 8.240 nan 0.000 0.552 1158 W N 0.034 121.346 121.300 0.020 0.000 3.102 1158 W HA 0.312 4.972 4.660 0.001 0.000 0.401 1158 W C 0.876 177.479 176.519 0.140 0.000 1.070 1158 W CA -0.535 56.854 57.345 0.073 0.000 1.921 1158 W CB 0.037 29.503 29.460 0.010 0.000 1.118 1158 W HN 0.673 nan 8.180 nan 0.000 0.647 1159 D N 0.908 121.446 120.400 0.229 0.000 2.182 1159 D HA -0.193 4.448 4.640 0.002 0.000 0.201 1159 D C 2.196 178.581 176.300 0.142 0.000 0.986 1159 D CA 1.634 55.743 54.000 0.183 0.000 0.847 1159 D CB -0.440 40.453 40.800 0.155 0.000 0.942 1159 D HN 0.211 nan 8.370 nan 0.000 0.467 1160 A N -0.465 122.415 122.820 0.100 0.000 2.067 1160 A HA -0.089 4.232 4.320 0.002 0.000 0.219 1160 A C 0.732 178.205 177.584 -0.186 0.000 1.158 1160 A CA 0.748 52.735 52.037 -0.083 0.000 0.661 1160 A CB -0.347 18.525 19.000 -0.214 0.000 0.801 1160 A HN 0.175 nan 8.150 nan 0.000 0.452 1201 S N 0.000 115.727 115.700 0.044 0.000 2.498 1201 S HA 0.000 4.471 4.470 0.002 0.000 0.327 1201 S CA 0.000 58.219 58.200 0.032 0.000 1.107 1201 S CB 0.000 63.216 63.200 0.026 0.000 0.593 1201 S HN 0.000 nan 8.310 nan 0.000 0.517