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 3mmi_1_A DATA FIRST_RESID 1103 DATA SEQUENCE DLLELLMDLN CYTLEVTEGY LKKVNVTEVN GXXXLGPIHV ITTVVSSLVR DATA SEQUENCE NGLLIQSSKF ISKVLLTVES IVMSLPKDET MLGGIFWLSN LSRLPAFAAN DATA SEQUENCE QKTLYXXXXX XXXDKLTLIY LNDLENETLK VFDKIYSTWL VKFMKHASAH DATA SEQUENCE IEIFDMVLNE KLFKNSGDEK FAKLFTFLNE FDAVLCKFQV VDSMHTKIFN DATA SEQUENCE DTLKYLNVML FNDLITKCPA LNWKYGYEVD RNIERLVSWF EPRIEDVRPN DATA SEQUENCE LIQIIQAVKI LQLKISNLNE FKLLFDFWYA LNPAQIQAIL LKYKPAXXXX DATA SEQUENCE XGVPNEILNY LANVIKRENL SLPGKMEIML SAQFDSAKNH LR 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 1103 D HA 0.000 nan 4.640 nan 0.000 0.175 1103 D C 0.000 176.293 176.300 -0.011 0.000 2.045 1103 D CA 0.000 53.996 54.000 -0.007 0.000 0.868 1103 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 1104 L N 1.763 122.974 121.223 -0.020 0.000 1.988 1104 L HA 0.060 4.411 4.340 0.018 0.000 0.207 1104 L C 2.227 179.076 176.870 -0.034 0.000 1.071 1104 L CA 1.822 56.641 54.840 -0.035 0.000 0.744 1104 L CB -0.983 41.052 42.059 -0.041 0.000 0.893 1104 L HN 0.100 nan 8.230 nan 0.000 0.433 1105 L N -0.592 120.617 121.223 -0.024 0.000 2.187 1105 L HA -0.205 4.146 4.340 0.018 0.000 0.213 1105 L C 2.503 179.375 176.870 0.002 0.000 1.100 1105 L CA 1.733 56.564 54.840 -0.016 0.000 0.765 1105 L CB -0.921 41.130 42.059 -0.013 0.000 0.904 1105 L HN 0.523 nan 8.230 nan 0.000 0.437 1106 E N 1.019 121.223 120.200 0.006 0.000 2.072 1106 E HA -0.157 4.204 4.350 0.018 0.000 0.190 1106 E C 2.414 179.037 176.600 0.039 0.000 0.982 1106 E CA 0.564 56.974 56.400 0.018 0.000 0.803 1106 E CB 0.086 29.793 29.700 0.012 0.000 0.755 1106 E HN 0.450 nan 8.360 nan 0.000 0.453 1107 L N 0.832 122.075 121.223 0.033 0.000 1.971 1107 L HA -0.261 4.090 4.340 0.018 0.000 0.215 1107 L C 2.668 179.623 176.870 0.141 0.000 1.072 1107 L CA 1.343 56.221 54.840 0.063 0.000 0.758 1107 L CB -0.601 41.462 42.059 0.008 0.000 0.889 1107 L HN 0.249 nan 8.230 nan 0.000 0.433 1108 L N -1.328 119.921 121.223 0.045 0.000 2.349 1108 L HA -0.228 4.123 4.340 0.018 0.000 0.220 1108 L C 2.392 179.394 176.870 0.220 0.000 1.130 1108 L CA 1.030 55.914 54.840 0.074 0.000 0.791 1108 L CB -0.383 41.629 42.059 -0.077 0.000 0.918 1108 L HN 0.356 nan 8.230 nan 0.000 0.444 1109 M N -0.989 118.691 119.600 0.133 0.000 2.476 1109 M HA -0.045 4.446 4.480 0.018 0.000 0.262 1109 M C 0.658 177.000 176.300 0.070 0.000 1.111 1109 M CA 0.691 56.045 55.300 0.089 0.000 1.127 1109 M CB 0.141 32.766 32.600 0.042 0.000 1.376 1109 M HN -0.046 nan 8.290 nan 0.000 0.465 1110 D N 1.440 121.894 120.400 0.091 0.000 2.885 1110 D HA -0.048 4.604 4.640 0.018 0.000 0.234 1110 D C 1.394 177.575 176.300 -0.199 0.000 1.129 1110 D CA 0.097 54.096 54.000 -0.002 0.000 0.991 1110 D CB -0.167 40.652 40.800 0.032 0.000 1.137 1110 D HN 0.204 nan 8.370 nan 0.000 0.459 1111 L N 1.290 122.392 121.223 -0.202 0.000 2.151 1111 L HA -0.243 4.108 4.340 0.018 0.000 0.215 1111 L C 1.332 177.828 176.870 -0.623 0.000 1.084 1111 L CA 1.728 56.306 54.840 -0.437 0.000 0.764 1111 L CB -0.360 41.634 42.059 -0.109 0.000 0.891 1111 L HN 0.333 nan 8.230 nan 0.000 0.435 1112 N N -1.682 116.820 118.700 -0.330 0.000 2.376 1112 N HA -0.153 4.598 4.740 0.018 0.000 0.177 1112 N C 2.118 177.494 175.510 -0.223 0.000 1.024 1112 N CA 0.887 53.803 53.050 -0.225 0.000 0.893 1112 N CB 0.179 38.599 38.487 -0.113 0.000 0.980 1112 N HN 0.528 nan 8.380 nan 0.000 0.439 1113 C N 0.643 119.803 119.300 -0.233 0.000 2.496 1113 C HA -0.108 4.363 4.460 0.018 0.000 0.281 1113 C C 2.639 177.587 174.990 -0.070 0.000 1.250 1113 C CA 1.060 60.023 59.018 -0.091 0.000 1.717 1113 C CB -1.449 26.288 27.740 -0.003 0.000 2.082 1113 C HN 0.649 nan 8.230 nan 0.000 0.472 1114 Y N 1.244 121.563 120.300 0.032 0.000 2.314 1114 Y HA 0.023 4.583 4.550 0.017 0.000 0.293 1114 Y C 2.547 178.529 175.900 0.137 0.000 1.129 1114 Y CA 1.656 59.779 58.100 0.038 0.000 1.201 1114 Y CB -1.539 36.895 38.460 -0.043 0.000 0.999 1114 Y HN 0.394 nan 8.280 nan 0.000 0.541 1115 T N -0.597 113.956 114.554 -0.002 0.000 2.951 1115 T HA -0.058 4.304 4.350 0.018 0.000 0.268 1115 T C 1.787 176.577 174.700 0.151 0.000 1.073 1115 T CA 0.860 63.148 62.100 0.314 0.000 1.134 1115 T CB -0.490 68.582 68.868 0.340 0.000 0.884 1115 T HN 0.467 nan 8.240 nan 0.000 0.479 1116 L N 0.518 121.771 121.223 0.050 0.000 2.056 1116 L HA -0.036 4.315 4.340 0.018 0.000 0.207 1116 L C 2.762 179.688 176.870 0.093 0.000 1.078 1116 L CA 1.941 56.810 54.840 0.048 0.000 0.749 1116 L CB -0.607 41.459 42.059 0.012 0.000 0.901 1116 L HN 0.519 nan 8.230 nan 0.000 0.433 1117 E N -0.507 119.767 120.200 0.124 0.000 2.023 1117 E HA -0.225 4.136 4.350 0.018 0.000 0.196 1117 E C 2.140 178.858 176.600 0.197 0.000 1.003 1117 E CA 1.547 58.036 56.400 0.147 0.000 0.809 1117 E CB -0.252 29.539 29.700 0.152 0.000 0.755 1117 E HN 0.252 nan 8.360 nan 0.000 0.449 1118 V N 0.767 120.836 119.914 0.258 0.000 2.295 1118 V HA -0.245 3.886 4.120 0.018 0.000 0.246 1118 V C 2.450 178.699 176.094 0.258 0.000 1.049 1118 V CA 2.196 64.689 62.300 0.322 0.000 1.024 1118 V CB -0.634 31.434 31.823 0.408 0.000 0.648 1118 V HN 0.371 nan 8.190 nan 0.000 0.447 1119 T N -1.520 113.128 114.554 0.158 0.000 3.067 1119 T HA -0.047 4.314 4.350 0.018 0.000 0.261 1119 T C 1.563 176.288 174.700 0.040 0.000 1.110 1119 T CA 1.051 63.187 62.100 0.060 0.000 1.113 1119 T CB -0.022 68.852 68.868 0.009 0.000 0.917 1119 T HN 0.531 nan 8.240 nan 0.000 0.499 1120 E N -0.786 119.456 120.200 0.070 0.000 2.414 1120 E HA 0.241 4.603 4.350 0.018 0.000 0.208 1120 E C 2.105 178.746 176.600 0.069 0.000 0.820 1120 E CA 0.472 56.900 56.400 0.046 0.000 1.143 1120 E CB -0.195 29.526 29.700 0.034 0.000 1.150 1120 E HN 0.430 nan 8.360 nan 0.000 0.540 1121 G N -0.123 108.744 108.800 0.113 0.000 2.539 1121 G HA2 -0.166 3.805 3.960 0.018 0.000 0.215 1121 G HA3 -0.166 3.805 3.960 0.018 0.000 0.215 1121 G C 1.239 176.260 174.900 0.202 0.000 1.141 1121 G CA 0.395 45.575 45.100 0.134 0.000 0.806 1121 G HN 0.191 nan 8.290 nan 0.000 0.533 1122 Y N -0.327 120.026 120.300 0.089 0.000 2.638 1122 Y HA 0.454 5.014 4.550 0.017 0.000 0.275 1122 Y C 2.048 178.041 175.900 0.155 0.000 1.122 1122 Y CA 0.121 58.289 58.100 0.114 0.000 1.266 1122 Y CB 0.227 38.764 38.460 0.129 0.000 1.317 1122 Y HN 0.006 nan 8.280 nan 0.000 0.501 1123 L N -0.119 121.080 121.223 -0.039 0.000 2.286 1123 L HA 0.075 4.426 4.340 0.018 0.000 0.203 1123 L C 2.045 178.889 176.870 -0.044 0.000 1.068 1123 L CA 0.548 55.340 54.840 -0.080 0.000 0.811 1123 L CB -0.219 41.845 42.059 0.009 0.000 0.989 1123 L HN -0.128 nan 8.230 nan 0.000 0.467 1124 K N 0.248 120.617 120.400 -0.051 0.000 2.442 1124 K HA -0.145 4.186 4.320 0.018 0.000 0.198 1124 K C 0.897 177.489 176.600 -0.014 0.000 1.044 1124 K CA 0.863 57.117 56.287 -0.055 0.000 0.948 1124 K CB 0.153 32.628 32.500 -0.042 0.000 0.762 1124 K HN -0.082 nan 8.250 nan 0.000 0.472 1125 K N 0.351 120.745 120.400 -0.010 0.000 2.564 1125 K HA 0.121 4.452 4.320 0.018 0.000 0.205 1125 K C -0.657 175.923 176.600 -0.033 0.000 1.053 1125 K CA -0.009 56.274 56.287 -0.005 0.000 1.072 1125 K CB 1.121 33.628 32.500 0.012 0.000 0.822 1125 K HN -0.232 nan 8.250 nan 0.000 0.497 1126 V N 2.601 122.497 119.914 -0.030 0.000 2.008 1126 V HA 0.080 4.211 4.120 0.018 0.000 0.262 1126 V C -0.047 175.986 176.094 -0.100 0.000 1.580 1126 V CA -0.640 61.599 62.300 -0.101 0.000 1.515 1126 V CB -0.794 30.965 31.823 -0.108 0.000 1.474 1126 V HN 0.338 nan 8.190 nan 0.000 0.504 1127 N N 2.254 120.902 118.700 -0.087 0.000 2.374 1127 N HA -0.011 4.740 4.740 0.018 0.000 0.269 1127 N C -0.030 175.342 175.510 -0.230 0.000 1.310 1127 N CA 0.555 53.537 53.050 -0.114 0.000 0.877 1127 N CB 0.754 39.202 38.487 -0.064 0.000 1.096 1127 N HN 0.283 nan 8.380 nan 0.000 0.484 1128 V N 2.320 122.036 119.914 -0.330 0.000 3.700 1128 V HA 0.355 4.486 4.120 0.018 0.000 0.277 1128 V C 1.120 177.060 176.094 -0.257 0.000 1.067 1128 V CA 0.434 62.402 62.300 -0.554 0.000 0.897 1128 V CB 0.978 32.387 31.823 -0.690 0.000 1.231 1128 V HN 1.021 nan 8.190 nan 0.000 0.425 1129 T N -1.179 113.275 114.554 -0.168 0.000 4.886 1129 T HA -0.159 4.202 4.350 0.018 0.000 0.295 1129 T C -0.330 174.340 174.700 -0.050 0.000 1.495 1129 T CA 1.164 63.231 62.100 -0.054 0.000 2.670 1129 T CB -1.683 67.160 68.868 -0.042 0.000 1.686 1129 T HN 0.676 nan 8.240 nan 0.000 0.981 1130 E N -0.586 119.565 120.200 -0.081 0.000 2.356 1130 E HA 0.657 5.018 4.350 0.018 0.000 0.275 1130 E C 0.355 176.950 176.600 -0.008 0.000 0.904 1130 E CA -0.472 55.896 56.400 -0.053 0.000 0.757 1130 E CB 2.436 32.089 29.700 -0.079 0.000 1.232 1130 E HN 0.259 nan 8.360 nan 0.000 0.442 1131 V N 2.031 121.957 119.914 0.019 0.000 3.816 1131 V HA 0.087 4.218 4.120 0.018 0.000 0.281 1131 V C 0.087 176.220 176.094 0.066 0.000 1.027 1131 V CA -0.154 62.175 62.300 0.048 0.000 1.032 1131 V CB 0.599 32.437 31.823 0.025 0.000 1.226 1131 V HN 0.685 nan 8.190 nan 0.000 0.448 1132 N N 0.991 119.730 118.700 0.064 0.000 2.408 1132 N HA 0.538 5.289 4.740 0.018 0.000 0.260 1132 N C 0.184 175.717 175.510 0.039 0.000 1.242 1132 N CA 0.481 53.571 53.050 0.066 0.000 0.959 1132 N CB 0.275 38.796 38.487 0.057 0.000 1.201 1132 N HN 1.417 nan 8.380 nan 0.000 0.511 1138 G N 1.386 110.241 108.800 0.092 0.000 2.404 1138 G HA2 -0.030 3.941 3.960 0.018 0.000 0.213 1138 G HA3 -0.030 3.941 3.960 0.018 0.000 0.213 1138 G C -0.851 174.204 174.900 0.257 0.000 1.189 1138 G CA 0.902 46.124 45.100 0.203 0.000 0.796 1138 G HN 0.208 nan 8.290 nan 0.000 0.532 1139 P HA -0.012 nan 4.420 nan 0.000 0.218 1139 P C 1.733 179.138 177.300 0.175 0.000 1.149 1139 P CA 0.304 63.619 63.100 0.358 0.000 0.817 1139 P CB 0.067 31.956 31.700 0.316 0.000 0.785 1140 I N -1.479 119.122 120.570 0.053 0.000 2.676 1140 I HA -0.170 4.011 4.170 0.018 0.000 0.259 1140 I C 2.146 178.245 176.117 -0.030 0.000 1.194 1140 I CA 1.432 62.724 61.300 -0.014 0.000 1.473 1140 I CB -0.700 37.266 38.000 -0.058 0.000 1.096 1140 I HN -0.062 nan 8.210 nan 0.000 0.443 1141 H N -0.740 118.301 119.070 -0.048 0.000 2.363 1141 H HA -0.035 4.533 4.556 0.020 0.000 0.301 1141 H C 2.092 177.379 175.328 -0.070 0.000 1.074 1141 H CA 2.132 58.141 56.048 -0.064 0.000 1.354 1141 H CB -0.137 29.602 29.762 -0.037 0.000 1.397 1141 H HN 0.147 nan 8.280 nan 0.000 0.516 1142 V N 0.452 120.325 119.914 -0.067 0.000 2.270 1142 V HA -0.206 3.925 4.120 0.018 0.000 0.245 1142 V C 2.546 178.611 176.094 -0.048 0.000 1.043 1142 V CA 1.904 64.129 62.300 -0.124 0.000 1.014 1142 V CB -0.571 31.173 31.823 -0.132 0.000 0.645 1142 V HN 0.401 nan 8.190 nan 0.000 0.447 1143 I N -0.041 120.565 120.570 0.059 0.000 2.151 1143 I HA -0.310 3.871 4.170 0.018 0.000 0.243 1143 I C 2.623 178.731 176.117 -0.015 0.000 1.080 1143 I CA 2.244 63.630 61.300 0.144 0.000 1.339 1143 I CB -0.442 37.596 38.000 0.063 0.000 1.039 1143 I HN 0.301 nan 8.210 nan 0.000 0.409 1144 T N -0.844 113.542 114.554 -0.280 0.000 2.942 1144 T HA -0.104 4.257 4.350 0.018 0.000 0.265 1144 T C 1.852 176.321 174.700 -0.385 0.000 1.062 1144 T CA 1.672 63.385 62.100 -0.645 0.000 1.139 1144 T CB -0.093 68.238 68.868 -0.895 0.000 0.883 1144 T HN 0.342 nan 8.240 nan 0.000 0.468 1145 T N 1.415 115.771 114.554 -0.330 0.000 2.708 1145 T HA -0.071 4.290 4.350 0.018 0.000 0.266 1145 T C 1.966 176.542 174.700 -0.207 0.000 1.037 1145 T CA 1.305 63.244 62.100 -0.267 0.000 1.146 1145 T CB -0.415 68.234 68.868 -0.366 0.000 0.865 1145 T HN 0.178 nan 8.240 nan 0.000 0.435 1146 V N 1.087 120.856 119.914 -0.241 0.000 2.270 1146 V HA -0.130 4.001 4.120 0.018 0.000 0.245 1146 V C 2.669 178.588 176.094 -0.292 0.000 1.043 1146 V CA 1.251 63.300 62.300 -0.419 0.000 1.014 1146 V CB -0.734 30.621 31.823 -0.780 0.000 0.645 1146 V HN 0.295 nan 8.190 nan 0.000 0.447 1147 V N 1.087 120.972 119.914 -0.049 0.000 2.252 1147 V HA -0.285 3.846 4.120 0.018 0.000 0.249 1147 V C 2.798 179.019 176.094 0.211 0.000 1.056 1147 V CA 2.567 64.973 62.300 0.177 0.000 1.022 1147 V CB -1.052 31.016 31.823 0.409 0.000 0.641 1147 V HN 0.761 nan 8.190 nan 0.000 0.445 1148 S N -0.711 115.168 115.700 0.298 0.000 2.399 1148 S HA -0.229 4.252 4.470 0.018 0.000 0.231 1148 S C 2.162 176.820 174.600 0.097 0.000 1.022 1148 S CA 1.925 60.292 58.200 0.279 0.000 0.983 1148 S CB -0.536 62.892 63.200 0.379 0.000 0.803 1148 S HN 0.530 nan 8.310 nan 0.000 0.480 1149 S N 1.569 117.261 115.700 -0.014 0.000 2.343 1149 S HA 0.010 4.491 4.470 0.018 0.000 0.219 1149 S C 1.879 176.436 174.600 -0.073 0.000 1.033 1149 S CA 1.413 59.571 58.200 -0.070 0.000 1.014 1149 S CB -0.798 62.307 63.200 -0.159 0.000 0.915 1149 S HN 0.614 nan 8.310 nan 0.000 0.435 1150 L N 1.038 122.191 121.223 -0.118 0.000 2.081 1150 L HA -0.111 4.240 4.340 0.018 0.000 0.212 1150 L C 2.467 179.287 176.870 -0.082 0.000 1.080 1150 L CA 1.139 55.913 54.840 -0.109 0.000 0.754 1150 L CB -0.539 41.451 42.059 -0.116 0.000 0.893 1150 L HN 0.258 nan 8.230 nan 0.000 0.433 1151 V N -0.537 119.352 119.914 -0.042 0.000 2.488 1151 V HA -0.210 3.921 4.120 0.018 0.000 0.246 1151 V C 2.589 178.650 176.094 -0.056 0.000 1.046 1151 V CA 1.587 63.831 62.300 -0.094 0.000 1.053 1151 V CB -0.462 31.338 31.823 -0.038 0.000 0.679 1151 V HN 0.414 nan 8.190 nan 0.000 0.458 1152 R N 0.986 121.522 120.500 0.061 0.000 2.115 1152 R HA -0.077 4.274 4.340 0.018 0.000 0.230 1152 R C 1.604 177.935 176.300 0.052 0.000 1.111 1152 R CA 1.604 57.783 56.100 0.133 0.000 0.976 1152 R CB -0.173 30.195 30.300 0.113 0.000 0.870 1152 R HN 0.489 nan 8.270 nan 0.000 0.445 1153 N N -0.305 118.392 118.700 -0.005 0.000 2.314 1153 N HA 0.094 4.845 4.740 0.018 0.000 0.200 1153 N C 0.225 175.709 175.510 -0.044 0.000 1.135 1153 N CA 0.888 53.924 53.050 -0.022 0.000 0.835 1153 N CB 1.210 39.675 38.487 -0.037 0.000 0.989 1153 N HN 0.463 nan 8.380 nan 0.000 0.478 1154 G N 1.030 109.790 108.800 -0.068 0.000 2.179 1154 G HA2 -0.268 3.703 3.960 0.018 0.000 0.257 1154 G HA3 -0.268 3.703 3.960 0.018 0.000 0.257 1154 G C 0.104 174.931 174.900 -0.122 0.000 1.010 1154 G CA -0.160 44.878 45.100 -0.104 0.000 0.736 1154 G HN 0.371 nan 8.290 nan 0.000 0.513 1155 L N 0.728 121.879 121.223 -0.120 0.000 2.480 1155 L HA 0.338 4.689 4.340 0.018 0.000 0.243 1155 L C 2.014 178.781 176.870 -0.171 0.000 1.315 1155 L CA -0.532 54.245 54.840 -0.105 0.000 1.231 1155 L CB 0.023 42.050 42.059 -0.054 0.000 1.444 1155 L HN 0.196 nan 8.230 nan 0.000 0.409 1156 L N 0.228 121.299 121.223 -0.254 0.000 2.217 1156 L HA -0.118 4.233 4.340 0.018 0.000 0.211 1156 L C 2.120 178.783 176.870 -0.345 0.000 1.107 1156 L CA 1.138 55.664 54.840 -0.522 0.000 0.783 1156 L CB -0.033 41.697 42.059 -0.549 0.000 0.919 1156 L HN 0.533 nan 8.230 nan 0.000 0.442 1157 I N -0.845 119.644 120.570 -0.135 0.000 2.439 1157 I HA -0.222 3.959 4.170 0.018 0.000 0.251 1157 I C 2.429 178.565 176.117 0.032 0.000 1.139 1157 I CA 0.779 62.068 61.300 -0.019 0.000 1.438 1157 I CB -0.111 37.888 38.000 -0.002 0.000 1.085 1157 I HN 0.187 nan 8.210 nan 0.000 0.427 1158 Q N 0.087 119.901 119.800 0.023 0.000 2.119 1158 Q HA -0.152 4.199 4.340 0.018 0.000 0.201 1158 Q C 2.482 178.590 176.000 0.180 0.000 0.972 1158 Q CA 1.698 57.559 55.803 0.098 0.000 0.847 1158 Q CB -0.285 28.512 28.738 0.099 0.000 0.903 1158 Q HN 0.360 nan 8.270 nan 0.000 0.433 1159 S N -0.463 115.307 115.700 0.116 0.000 2.353 1159 S HA -0.241 4.240 4.470 0.018 0.000 0.222 1159 S C 2.044 176.857 174.600 0.355 0.000 1.035 1159 S CA 1.617 59.961 58.200 0.240 0.000 1.025 1159 S CB -0.648 62.609 63.200 0.095 0.000 0.902 1159 S HN 0.537 nan 8.310 nan 0.000 0.440 1160 S N 0.649 116.539 115.700 0.316 0.000 2.365 1160 S HA -0.186 4.295 4.470 0.018 0.000 0.225 1160 S C 1.935 176.656 174.600 0.203 0.000 1.039 1160 S CA 1.740 60.126 58.200 0.310 0.000 1.033 1160 S CB -0.513 62.871 63.200 0.307 0.000 0.887 1160 S HN 0.598 nan 8.310 nan 0.000 0.447 1161 K N -0.655 119.854 120.400 0.181 0.000 2.057 1161 K HA -0.010 4.321 4.320 0.018 0.000 0.206 1161 K C 1.924 178.616 176.600 0.154 0.000 1.050 1161 K CA 1.452 57.819 56.287 0.132 0.000 0.935 1161 K CB -0.379 32.182 32.500 0.102 0.000 0.715 1161 K HN 0.546 nan 8.250 nan 0.000 0.439 1162 F N 1.787 121.797 119.950 0.100 0.000 2.113 1162 F HA -0.191 4.345 4.527 0.015 0.000 0.297 1162 F C 1.865 177.730 175.800 0.109 0.000 1.103 1162 F CA 1.127 59.201 58.000 0.123 0.000 1.248 1162 F CB -0.164 38.974 39.000 0.230 0.000 0.999 1162 F HN -0.119 nan 8.300 nan 0.000 0.475 1163 I N 0.279 120.839 120.570 -0.016 0.000 2.226 1163 I HA -0.267 3.914 4.170 0.018 0.000 0.245 1163 I C 2.487 178.534 176.117 -0.117 0.000 1.100 1163 I CA 1.486 62.717 61.300 -0.116 0.000 1.374 1163 I CB -1.461 36.610 38.000 0.119 0.000 1.057 1163 I HN 0.195 nan 8.210 nan 0.000 0.413 1164 S N 0.830 116.511 115.700 -0.032 0.000 2.353 1164 S HA -0.235 4.246 4.470 0.018 0.000 0.222 1164 S C 1.964 176.516 174.600 -0.080 0.000 1.035 1164 S CA 1.546 59.726 58.200 -0.034 0.000 1.025 1164 S CB -0.205 62.998 63.200 0.005 0.000 0.902 1164 S HN 0.374 nan 8.310 nan 0.000 0.440 1165 K N 0.698 121.037 120.400 -0.101 0.000 2.026 1165 K HA -0.031 4.300 4.320 0.018 0.000 0.208 1165 K C 2.068 178.567 176.600 -0.168 0.000 1.048 1165 K CA 1.075 57.295 56.287 -0.112 0.000 0.929 1165 K CB -0.584 31.865 32.500 -0.085 0.000 0.713 1165 K HN 0.093 nan 8.250 nan 0.000 0.439 1166 V N 1.543 121.285 119.914 -0.287 0.000 2.287 1166 V HA -0.272 3.859 4.120 0.018 0.000 0.248 1166 V C 2.138 178.121 176.094 -0.185 0.000 1.053 1166 V CA 1.717 63.845 62.300 -0.287 0.000 1.027 1166 V CB -0.394 31.147 31.823 -0.469 0.000 0.646 1166 V HN 0.289 nan 8.190 nan 0.000 0.447 1167 L N -1.251 119.884 121.223 -0.147 0.000 2.017 1167 L HA -0.213 4.138 4.340 0.018 0.000 0.208 1167 L C 2.438 179.248 176.870 -0.100 0.000 1.073 1167 L CA 1.446 56.229 54.840 -0.094 0.000 0.745 1167 L CB -0.576 41.454 42.059 -0.048 0.000 0.894 1167 L HN 0.293 nan 8.230 nan 0.000 0.432 1168 L N -0.642 120.526 121.223 -0.092 0.000 2.127 1168 L HA -0.217 4.134 4.340 0.018 0.000 0.211 1168 L C 2.528 179.329 176.870 -0.115 0.000 1.089 1168 L CA 1.730 56.519 54.840 -0.084 0.000 0.757 1168 L CB -0.447 41.573 42.059 -0.066 0.000 0.899 1168 L HN 0.225 nan 8.230 nan 0.000 0.434 1169 T N -1.779 112.690 114.554 -0.141 0.000 2.732 1169 T HA -0.133 4.228 4.350 0.018 0.000 0.261 1169 T C 1.917 176.457 174.700 -0.268 0.000 1.040 1169 T CA 1.453 63.448 62.100 -0.175 0.000 1.145 1169 T CB -0.239 68.532 68.868 -0.162 0.000 0.866 1169 T HN 0.082 nan 8.240 nan 0.000 0.427 1170 V N 1.703 121.431 119.914 -0.310 0.000 2.332 1170 V HA -0.224 3.908 4.120 0.018 0.000 0.248 1170 V C 2.515 178.390 176.094 -0.366 0.000 1.055 1170 V CA 2.073 64.088 62.300 -0.474 0.000 1.038 1170 V CB -0.689 30.924 31.823 -0.351 0.000 0.651 1170 V HN 0.568 nan 8.190 nan 0.000 0.450 1171 E N 0.938 121.012 120.200 -0.210 0.000 2.070 1171 E HA -0.290 4.071 4.350 0.018 0.000 0.197 1171 E C 2.326 178.842 176.600 -0.141 0.000 1.004 1171 E CA 2.130 58.446 56.400 -0.140 0.000 0.805 1171 E CB -0.191 29.459 29.700 -0.082 0.000 0.744 1171 E HN 0.752 nan 8.360 nan 0.000 0.451 1172 S N 0.130 115.740 115.700 -0.149 0.000 2.387 1172 S HA -0.093 4.388 4.470 0.018 0.000 0.226 1172 S C 2.112 176.620 174.600 -0.153 0.000 1.026 1172 S CA 0.829 58.957 58.200 -0.120 0.000 0.972 1172 S CB -0.547 62.595 63.200 -0.098 0.000 0.814 1172 S HN 0.344 nan 8.310 nan 0.000 0.477 1173 I N 1.640 122.056 120.570 -0.255 0.000 2.091 1173 I HA -0.195 3.987 4.170 0.018 0.000 0.239 1173 I C 2.528 178.510 176.117 -0.224 0.000 1.061 1173 I CA 1.543 62.661 61.300 -0.305 0.000 1.317 1173 I CB -0.819 36.815 38.000 -0.610 0.000 1.031 1173 I HN 0.225 nan 8.210 nan 0.000 0.401 1174 V N 0.401 120.157 119.914 -0.265 0.000 2.255 1174 V HA -0.337 3.794 4.120 0.018 0.000 0.247 1174 V C 2.471 178.575 176.094 0.016 0.000 1.051 1174 V CA 2.087 64.336 62.300 -0.086 0.000 1.018 1174 V CB -0.506 31.270 31.823 -0.078 0.000 0.641 1174 V HN 0.411 nan 8.190 nan 0.000 0.445 1175 M N -0.373 119.220 119.600 -0.012 0.000 2.279 1175 M HA -0.154 4.338 4.480 0.018 0.000 0.264 1175 M C 2.078 178.387 176.300 0.015 0.000 1.062 1175 M CA 1.542 56.854 55.300 0.020 0.000 1.099 1175 M CB -0.203 32.398 32.600 0.001 0.000 1.394 1175 M HN 0.332 nan 8.290 nan 0.000 0.426 1176 S N 0.197 115.891 115.700 -0.010 0.000 2.528 1176 S HA 0.191 4.672 4.470 0.018 0.000 0.219 1176 S C 0.590 175.196 174.600 0.010 0.000 0.985 1176 S CA -0.132 58.063 58.200 -0.008 0.000 0.914 1176 S CB -0.207 62.976 63.200 -0.028 0.000 0.776 1176 S HN 0.313 nan 8.310 nan 0.000 0.526 1177 L N 3.638 124.883 121.223 0.035 0.000 2.593 1177 L HA 0.058 4.409 4.340 0.018 0.000 0.287 1177 L C -1.987 174.906 176.870 0.038 0.000 1.243 1177 L CA -0.967 53.909 54.840 0.060 0.000 0.890 1177 L CB -0.168 41.964 42.059 0.122 0.000 1.134 1177 L HN 0.068 nan 8.230 nan 0.000 0.502 1178 P HA 0.118 nan 4.420 nan 0.000 0.277 1178 P C 0.018 177.295 177.300 -0.038 0.000 1.240 1178 P CA -0.658 62.436 63.100 -0.010 0.000 0.798 1178 P CB 0.976 32.671 31.700 -0.008 0.000 0.979 1179 K N 0.907 121.246 120.400 -0.103 0.000 2.227 1179 K HA -0.213 4.118 4.320 0.018 0.000 0.208 1179 K C 1.239 177.682 176.600 -0.263 0.000 1.045 1179 K CA 2.347 58.482 56.287 -0.255 0.000 0.931 1179 K CB -0.217 32.111 32.500 -0.286 0.000 0.721 1179 K HN 0.608 nan 8.250 nan 0.000 0.469 1180 D N -1.697 118.646 120.400 -0.096 0.000 2.349 1180 D HA -0.058 4.593 4.640 0.018 0.000 0.214 1180 D C 0.880 177.204 176.300 0.040 0.000 1.063 1180 D CA 0.361 54.354 54.000 -0.012 0.000 0.847 1180 D CB 0.413 41.216 40.800 0.004 0.000 0.933 1180 D HN 0.252 nan 8.370 nan 0.000 0.513 1181 E N 0.090 120.316 120.200 0.043 0.000 2.511 1181 E HA 0.049 4.410 4.350 0.018 0.000 0.209 1181 E C 1.265 177.944 176.600 0.131 0.000 0.986 1181 E CA 0.053 56.499 56.400 0.076 0.000 0.974 1181 E CB 0.583 30.319 29.700 0.059 0.000 1.030 1181 E HN 0.015 nan 8.360 nan 0.000 0.490 1182 T N 1.030 115.674 114.554 0.152 0.000 2.746 1182 T HA -0.211 4.150 4.350 0.018 0.000 0.267 1182 T C 1.744 176.670 174.700 0.376 0.000 1.039 1182 T CA 1.179 63.440 62.100 0.269 0.000 1.142 1182 T CB -0.062 68.938 68.868 0.221 0.000 0.866 1182 T HN 0.202 nan 8.240 nan 0.000 0.444 1183 M N 0.424 120.150 119.600 0.209 0.000 2.066 1183 M HA -0.029 4.462 4.480 0.018 0.000 0.259 1183 M C 2.074 178.454 176.300 0.134 0.000 1.074 1183 M CA 1.700 56.998 55.300 -0.003 0.000 1.114 1183 M CB -0.260 32.361 32.600 0.035 0.000 1.306 1183 M HN 0.179 nan 8.290 nan 0.000 0.411 1184 L N -0.617 120.709 121.223 0.172 0.000 1.994 1184 L HA -0.139 4.213 4.340 0.018 0.000 0.208 1184 L C 2.618 179.553 176.870 0.107 0.000 1.071 1184 L CA 1.518 56.509 54.840 0.252 0.000 0.745 1184 L CB -1.421 40.778 42.059 0.233 0.000 0.892 1184 L HN 0.540 nan 8.230 nan 0.000 0.431 1185 G N -0.424 108.423 108.800 0.078 0.000 2.421 1185 G HA2 -0.201 3.770 3.960 0.018 0.000 0.216 1185 G HA3 -0.201 3.770 3.960 0.018 0.000 0.216 1185 G C 1.567 176.512 174.900 0.074 0.000 1.171 1185 G CA 0.757 45.905 45.100 0.079 0.000 0.775 1185 G HN 0.490 nan 8.290 nan 0.000 0.543 1186 G N 1.155 109.932 108.800 -0.039 0.000 2.491 1186 G HA2 -0.252 3.719 3.960 0.018 0.000 0.218 1186 G HA3 -0.252 3.719 3.960 0.018 0.000 0.218 1186 G C 1.801 176.193 174.900 -0.846 0.000 1.180 1186 G CA 1.049 45.679 45.100 -0.783 0.000 0.774 1186 G HN 0.447 nan 8.290 nan 0.000 0.562 1187 I N -0.426 119.838 120.570 -0.509 0.000 2.252 1187 I HA -0.077 4.104 4.170 0.018 0.000 0.245 1187 I C 2.414 178.403 176.117 -0.212 0.000 1.102 1187 I CA 0.952 62.079 61.300 -0.289 0.000 1.385 1187 I CB -0.289 37.755 38.000 0.073 0.000 1.064 1187 I HN 0.191 nan 8.210 nan 0.000 0.414 1188 F N 0.960 120.588 119.950 -0.537 0.000 2.069 1188 F HA -0.264 4.275 4.527 0.019 0.000 0.298 1188 F C 2.111 177.558 175.800 -0.589 0.000 1.113 1188 F CA 1.628 59.080 58.000 -0.912 0.000 1.214 1188 F CB -0.667 37.516 39.000 -1.362 0.000 0.978 1188 F HN 0.002 nan 8.300 nan 0.000 0.474 1189 W N 0.354 121.460 121.300 -0.325 0.000 2.358 1189 W HA -0.121 4.551 4.660 0.021 0.000 0.303 1189 W C 2.354 178.702 176.519 -0.285 0.000 1.208 1189 W CA 0.985 58.130 57.345 -0.334 0.000 1.274 1189 W CB -0.582 28.776 29.460 -0.171 0.000 1.138 1189 W HN 0.034 nan 8.180 nan 0.000 0.515 1190 L N -0.683 120.489 121.223 -0.085 0.000 2.109 1190 L HA -0.167 4.184 4.340 0.018 0.000 0.207 1190 L C 2.666 179.597 176.870 0.103 0.000 1.086 1190 L CA 1.212 56.067 54.840 0.025 0.000 0.760 1190 L CB -0.936 41.044 42.059 -0.133 0.000 0.910 1190 L HN -0.090 nan 8.230 nan 0.000 0.437 1191 S N -0.140 115.513 115.700 -0.079 0.000 2.383 1191 S HA -0.183 4.298 4.470 0.018 0.000 0.229 1191 S C 1.847 176.367 174.600 -0.133 0.000 1.030 1191 S CA 1.405 59.551 58.200 -0.089 0.000 1.002 1191 S CB -0.212 62.918 63.200 -0.117 0.000 0.829 1191 S HN 0.431 nan 8.310 nan 0.000 0.467 1192 N N 1.006 119.561 118.700 -0.240 0.000 2.080 1192 N HA 0.013 4.764 4.740 0.018 0.000 0.189 1192 N C 1.811 177.290 175.510 -0.052 0.000 1.036 1192 N CA 1.345 54.271 53.050 -0.206 0.000 0.846 1192 N CB -0.411 37.865 38.487 -0.352 0.000 1.015 1192 N HN 0.398 nan 8.380 nan 0.000 0.423 1193 L N 1.272 122.525 121.223 0.049 0.000 2.201 1193 L HA -0.095 4.256 4.340 0.018 0.000 0.212 1193 L C 2.405 179.307 176.870 0.054 0.000 1.105 1193 L CA 0.821 55.740 54.840 0.132 0.000 0.775 1193 L CB -0.520 41.709 42.059 0.283 0.000 0.913 1193 L HN 0.221 nan 8.230 nan 0.000 0.440 1194 S N -0.276 115.401 115.700 -0.037 0.000 2.507 1194 S HA -0.135 4.346 4.470 0.018 0.000 0.235 1194 S C 1.878 176.308 174.600 -0.283 0.000 0.988 1194 S CA 0.590 58.527 58.200 -0.438 0.000 0.944 1194 S CB -0.170 62.791 63.200 -0.399 0.000 0.762 1194 S HN 0.420 nan 8.310 nan 0.000 0.526 1195 R N -0.125 120.300 120.500 -0.125 0.000 2.290 1195 R HA 0.436 4.787 4.340 0.018 0.000 0.197 1195 R C 1.922 178.232 176.300 0.017 0.000 0.913 1195 R CA 0.121 56.187 56.100 -0.057 0.000 1.040 1195 R CB -0.225 30.056 30.300 -0.033 0.000 0.992 1195 R HN 0.349 nan 8.270 nan 0.000 0.500 1196 L N 0.987 122.220 121.223 0.017 0.000 2.012 1196 L HA -0.136 4.215 4.340 0.018 0.000 0.210 1196 L C -0.768 176.188 176.870 0.144 0.000 1.073 1196 L CA 1.736 56.646 54.840 0.117 0.000 0.748 1196 L CB -1.043 41.071 42.059 0.090 0.000 0.891 1196 L HN 0.086 nan 8.230 nan 0.000 0.431 1197 P HA -0.178 nan 4.420 nan 0.000 0.215 1197 P C 1.359 178.662 177.300 0.005 0.000 1.157 1197 P CA 1.812 64.912 63.100 -0.000 0.000 0.868 1197 P CB -0.004 31.655 31.700 -0.068 0.000 0.788 1198 A N -1.511 121.313 122.820 0.006 0.000 2.014 1198 A HA -0.151 4.180 4.320 0.018 0.000 0.218 1198 A C 2.014 179.634 177.584 0.059 0.000 1.163 1198 A CA 0.920 52.965 52.037 0.013 0.000 0.652 1198 A CB -1.712 17.287 19.000 -0.001 0.000 0.808 1198 A HN 0.161 nan 8.150 nan 0.000 0.449 1199 F N 1.361 121.303 119.950 -0.014 0.000 2.075 1199 F HA -0.062 4.475 4.527 0.015 0.000 0.297 1199 F C 2.430 178.246 175.800 0.026 0.000 1.113 1199 F CA 1.308 59.315 58.000 0.011 0.000 1.218 1199 F CB -0.765 38.248 39.000 0.020 0.000 0.984 1199 F HN 0.226 nan 8.300 nan 0.000 0.472 1200 A N 0.821 123.509 122.820 -0.221 0.000 1.917 1200 A HA -0.141 4.190 4.320 0.018 0.000 0.219 1200 A C 2.451 179.911 177.584 -0.206 0.000 1.182 1200 A CA 2.337 54.200 52.037 -0.292 0.000 0.633 1200 A CB -1.707 17.234 19.000 -0.099 0.000 0.819 1200 A HN 0.635 nan 8.150 nan 0.000 0.448 1201 A N -0.201 122.549 122.820 -0.116 0.000 1.898 1201 A HA -0.202 4.129 4.320 0.018 0.000 0.216 1201 A C 2.074 179.609 177.584 -0.081 0.000 1.181 1201 A CA 1.677 53.667 52.037 -0.078 0.000 0.620 1201 A CB -0.671 18.300 19.000 -0.049 0.000 0.819 1201 A HN 0.659 nan 8.150 nan 0.000 0.442 1202 N N -0.898 117.745 118.700 -0.094 0.000 2.331 1202 N HA -0.142 4.609 4.740 0.018 0.000 0.180 1202 N C 1.634 177.074 175.510 -0.116 0.000 1.019 1202 N CA 0.819 53.822 53.050 -0.078 0.000 0.881 1202 N CB -0.114 38.357 38.487 -0.026 0.000 0.972 1202 N HN 0.414 nan 8.380 nan 0.000 0.435 1203 Q N 0.936 120.594 119.800 -0.237 0.000 2.167 1203 Q HA -0.148 4.203 4.340 0.018 0.000 0.202 1203 Q C 1.752 177.792 176.000 0.067 0.000 0.970 1203 Q CA 1.148 56.858 55.803 -0.155 0.000 0.855 1203 Q CB -0.042 28.491 28.738 -0.343 0.000 0.911 1203 Q HN 0.631 nan 8.270 nan 0.000 0.438 1204 K N -0.595 119.820 120.400 0.025 0.000 2.361 1204 K HA 0.012 4.343 4.320 0.018 0.000 0.196 1204 K C 1.821 178.474 176.600 0.088 0.000 1.039 1204 K CA 1.207 57.567 56.287 0.122 0.000 1.001 1204 K CB -0.219 32.302 32.500 0.034 0.000 0.795 1204 K HN -0.102 nan 8.250 nan 0.000 0.495 1205 T N 0.985 115.546 114.554 0.012 0.000 3.025 1205 T HA -0.011 4.350 4.350 0.018 0.000 0.270 1205 T C 1.318 175.987 174.700 -0.052 0.000 1.126 1205 T CA 0.912 63.002 62.100 -0.017 0.000 1.105 1205 T CB -0.273 68.576 68.868 -0.032 0.000 0.884 1205 T HN 0.381 nan 8.240 nan 0.000 0.522 1206 L N -1.545 119.611 121.223 -0.112 0.000 2.693 1206 L HA 0.431 4.782 4.340 0.018 0.000 0.235 1206 L C 0.174 176.807 176.870 -0.396 0.000 1.127 1206 L CA -0.568 54.104 54.840 -0.279 0.000 0.914 1206 L CB -0.132 41.664 42.059 -0.439 0.000 1.193 1206 L HN 0.137 nan 8.230 nan 0.000 0.502 1217 K N -0.038 120.370 120.400 0.013 0.000 2.308 1217 K HA 0.293 4.624 4.320 0.018 0.000 0.197 1217 K C 1.711 178.312 176.600 0.002 0.000 1.049 1217 K CA -0.122 56.171 56.287 0.011 0.000 0.991 1217 K CB 0.361 32.868 32.500 0.013 0.000 0.836 1217 K HN 0.253 nan 8.250 nan 0.000 0.500 1218 L N 1.260 122.480 121.223 -0.006 0.000 2.083 1218 L HA -0.171 4.180 4.340 0.018 0.000 0.209 1218 L C 1.916 178.783 176.870 -0.004 0.000 1.083 1218 L CA 1.551 56.389 54.840 -0.002 0.000 0.752 1218 L CB -0.403 41.648 42.059 -0.013 0.000 0.899 1218 L HN 0.239 nan 8.230 nan 0.000 0.433 1219 T N 0.219 114.733 114.554 -0.067 0.000 2.737 1219 T HA -0.167 4.194 4.350 0.018 0.000 0.265 1219 T C 1.995 176.643 174.700 -0.086 0.000 1.038 1219 T CA 0.987 62.997 62.100 -0.150 0.000 1.144 1219 T CB -0.161 68.461 68.868 -0.410 0.000 0.866 1219 T HN 0.211 nan 8.240 nan 0.000 0.434 1220 L N 0.339 121.529 121.223 -0.056 0.000 2.013 1220 L HA -0.122 4.229 4.340 0.018 0.000 0.212 1220 L C 2.448 179.317 176.870 -0.002 0.000 1.073 1220 L CA 1.416 56.250 54.840 -0.010 0.000 0.753 1220 L CB -0.606 41.464 42.059 0.018 0.000 0.890 1220 L HN 0.301 nan 8.230 nan 0.000 0.432 1221 I N -1.464 119.113 120.570 0.011 0.000 2.179 1221 I HA -0.365 3.816 4.170 0.018 0.000 0.242 1221 I C 2.565 178.692 176.117 0.016 0.000 1.088 1221 I CA 1.485 62.792 61.300 0.012 0.000 1.357 1221 I CB -0.444 37.570 38.000 0.022 0.000 1.051 1221 I HN 0.183 nan 8.210 nan 0.000 0.409 1222 Y N 1.661 121.927 120.300 -0.057 0.000 2.114 1222 Y HA -0.292 4.263 4.550 0.007 0.000 0.282 1222 Y C 2.286 178.158 175.900 -0.048 0.000 1.165 1222 Y CA 1.823 59.893 58.100 -0.050 0.000 1.148 1222 Y CB -0.305 38.114 38.460 -0.068 0.000 0.972 1222 Y HN 0.031 nan 8.280 nan 0.000 0.504 1223 L N -0.229 120.938 121.223 -0.093 0.000 2.109 1223 L HA -0.171 4.180 4.340 0.018 0.000 0.207 1223 L C 2.245 179.013 176.870 -0.170 0.000 1.086 1223 L CA 1.410 56.158 54.840 -0.154 0.000 0.760 1223 L CB -0.638 41.388 42.059 -0.055 0.000 0.910 1223 L HN 0.252 nan 8.230 nan 0.000 0.437 1224 N N 0.368 119.000 118.700 -0.113 0.000 2.104 1224 N HA -0.264 4.487 4.740 0.018 0.000 0.190 1224 N C 1.510 176.951 175.510 -0.114 0.000 1.024 1224 N CA 1.710 54.706 53.050 -0.089 0.000 0.853 1224 N CB 0.021 38.476 38.487 -0.053 0.000 1.008 1224 N HN 0.264 nan 8.380 nan 0.000 0.424 1225 D N -1.082 119.218 120.400 -0.166 0.000 2.194 1225 D HA -0.076 4.575 4.640 0.018 0.000 0.204 1225 D C 1.866 178.042 176.300 -0.207 0.000 0.964 1225 D CA 0.353 54.255 54.000 -0.164 0.000 0.846 1225 D CB -0.079 40.620 40.800 -0.168 0.000 0.962 1225 D HN 0.233 nan 8.370 nan 0.000 0.490 1226 L N 0.930 121.949 121.223 -0.341 0.000 2.046 1226 L HA -0.080 4.271 4.340 0.018 0.000 0.208 1226 L C 2.039 178.839 176.870 -0.117 0.000 1.077 1226 L CA 1.872 56.539 54.840 -0.287 0.000 0.747 1226 L CB -0.694 41.131 42.059 -0.390 0.000 0.896 1226 L HN 0.117 nan 8.230 nan 0.000 0.432 1227 E N -0.805 119.331 120.200 -0.107 0.000 2.077 1227 E HA -0.232 4.129 4.350 0.018 0.000 0.193 1227 E C 1.732 178.311 176.600 -0.034 0.000 0.989 1227 E CA 1.369 57.736 56.400 -0.055 0.000 0.800 1227 E CB -0.040 29.624 29.700 -0.060 0.000 0.746 1227 E HN 0.602 nan 8.360 nan 0.000 0.452 1228 N N 0.662 119.337 118.700 -0.041 0.000 2.171 1228 N HA -0.124 4.627 4.740 0.018 0.000 0.184 1228 N C 1.643 177.153 175.510 -0.000 0.000 1.021 1228 N CA 0.906 53.946 53.050 -0.016 0.000 0.854 1228 N CB -0.186 38.290 38.487 -0.017 0.000 0.994 1228 N HN 0.235 nan 8.380 nan 0.000 0.426 1229 E N 0.430 120.620 120.200 -0.017 0.000 2.107 1229 E HA -0.034 4.327 4.350 0.018 0.000 0.191 1229 E C 1.710 178.327 176.600 0.029 0.000 0.982 1229 E CA 0.707 57.108 56.400 0.002 0.000 0.809 1229 E CB -0.342 29.346 29.700 -0.020 0.000 0.756 1229 E HN 0.257 nan 8.360 nan 0.000 0.459 1230 T N 1.829 116.399 114.554 0.027 0.000 2.708 1230 T HA -0.142 4.219 4.350 0.018 0.000 0.266 1230 T C 1.913 176.676 174.700 0.106 0.000 1.037 1230 T CA 0.856 62.993 62.100 0.061 0.000 1.146 1230 T CB -0.258 68.642 68.868 0.054 0.000 0.865 1230 T HN 0.017 nan 8.240 nan 0.000 0.435 1231 L N 1.228 122.497 121.223 0.077 0.000 2.013 1231 L HA -0.131 4.220 4.340 0.018 0.000 0.212 1231 L C 2.207 179.178 176.870 0.168 0.000 1.073 1231 L CA 1.939 56.844 54.840 0.108 0.000 0.753 1231 L CB -0.445 41.644 42.059 0.050 0.000 0.890 1231 L HN 0.165 nan 8.230 nan 0.000 0.432 1232 K N -1.362 119.105 120.400 0.113 0.000 2.032 1232 K HA -0.140 4.191 4.320 0.018 0.000 0.209 1232 K C 1.907 178.579 176.600 0.120 0.000 1.048 1232 K CA 1.683 58.035 56.287 0.109 0.000 0.927 1232 K CB -0.516 32.026 32.500 0.070 0.000 0.712 1232 K HN 0.233 nan 8.250 nan 0.000 0.441 1233 V N 1.174 121.153 119.914 0.109 0.000 2.343 1233 V HA -0.250 3.881 4.120 0.018 0.000 0.247 1233 V C 1.976 178.141 176.094 0.119 0.000 1.051 1233 V CA 1.725 64.082 62.300 0.094 0.000 1.036 1233 V CB -0.556 31.309 31.823 0.069 0.000 0.654 1233 V HN 0.223 nan 8.190 nan 0.000 0.451 1234 F N 1.744 121.725 119.950 0.052 0.000 2.065 1234 F HA -0.259 4.277 4.527 0.016 0.000 0.298 1234 F C 2.276 178.153 175.800 0.128 0.000 1.112 1234 F CA 2.283 60.322 58.000 0.066 0.000 1.212 1234 F CB -0.458 38.558 39.000 0.027 0.000 0.975 1234 F HN 0.229 nan 8.300 nan 0.000 0.476 1235 D N 0.296 120.820 120.400 0.208 0.000 2.123 1235 D HA -0.230 4.421 4.640 0.018 0.000 0.196 1235 D C 2.167 178.562 176.300 0.158 0.000 0.992 1235 D CA 1.604 55.718 54.000 0.191 0.000 0.833 1235 D CB -0.461 40.473 40.800 0.222 0.000 0.954 1235 D HN 0.347 nan 8.370 nan 0.000 0.455 1236 K N 0.589 121.054 120.400 0.109 0.000 1.985 1236 K HA -0.099 4.232 4.320 0.018 0.000 0.210 1236 K C 2.276 178.921 176.600 0.074 0.000 1.047 1236 K CA 0.997 57.339 56.287 0.092 0.000 0.932 1236 K CB -0.186 32.353 32.500 0.065 0.000 0.716 1236 K HN 0.053 nan 8.250 nan 0.000 0.439 1237 I N 0.038 120.616 120.570 0.012 0.000 2.252 1237 I HA -0.261 3.920 4.170 0.018 0.000 0.245 1237 I C 2.296 178.434 176.117 0.036 0.000 1.102 1237 I CA 1.219 62.519 61.300 0.000 0.000 1.385 1237 I CB -0.442 37.519 38.000 -0.064 0.000 1.064 1237 I HN 0.276 nan 8.210 nan 0.000 0.414 1238 Y N 2.040 122.193 120.300 -0.245 0.000 2.081 1238 Y HA -0.341 4.220 4.550 0.017 0.000 0.280 1238 Y C 2.781 178.774 175.900 0.154 0.000 1.163 1238 Y CA 2.188 60.180 58.100 -0.180 0.000 1.135 1238 Y CB -0.398 37.742 38.460 -0.533 0.000 0.970 1238 Y HN 0.071 nan 8.280 nan 0.000 0.498 1239 S N -0.849 114.968 115.700 0.194 0.000 2.368 1239 S HA -0.241 4.241 4.470 0.018 0.000 0.225 1239 S C 2.121 176.849 174.600 0.213 0.000 1.030 1239 S CA 1.796 60.169 58.200 0.288 0.000 0.999 1239 S CB -1.017 62.439 63.200 0.426 0.000 0.844 1239 S HN 0.762 nan 8.310 nan 0.000 0.459 1240 T N -0.335 114.315 114.554 0.160 0.000 2.904 1240 T HA -0.145 4.216 4.350 0.018 0.000 0.267 1240 T C 1.433 176.204 174.700 0.119 0.000 1.059 1240 T CA 1.261 63.437 62.100 0.126 0.000 1.137 1240 T CB -0.467 68.459 68.868 0.097 0.000 0.879 1240 T HN 0.642 nan 8.240 nan 0.000 0.467 1241 W N 1.064 122.340 121.300 -0.041 0.000 2.355 1241 W HA 0.030 4.701 4.660 0.017 0.000 0.309 1241 W C 1.832 178.338 176.519 -0.023 0.000 1.206 1241 W CA 0.828 58.149 57.345 -0.040 0.000 1.284 1241 W CB -0.711 28.709 29.460 -0.067 0.000 1.145 1241 W HN 0.264 nan 8.180 nan 0.000 0.502 1242 L N 1.373 122.403 121.223 -0.321 0.000 2.042 1242 L HA -0.168 4.183 4.340 0.018 0.000 0.210 1242 L C 2.663 179.283 176.870 -0.416 0.000 1.076 1242 L CA 2.649 57.106 54.840 -0.638 0.000 0.749 1242 L CB -1.466 40.226 42.059 -0.611 0.000 0.893 1242 L HN 0.193 nan 8.230 nan 0.000 0.432 1243 V N -2.242 117.608 119.914 -0.106 0.000 2.358 1243 V HA -0.241 3.890 4.120 0.018 0.000 0.246 1243 V C 2.541 178.517 176.094 -0.197 0.000 1.047 1243 V CA 2.017 64.295 62.300 -0.037 0.000 1.035 1243 V CB -1.053 30.904 31.823 0.223 0.000 0.658 1243 V HN 0.567 nan 8.190 nan 0.000 0.452 1244 K N -0.464 119.838 120.400 -0.163 0.000 2.026 1244 K HA -0.194 4.137 4.320 0.018 0.000 0.208 1244 K C 2.092 178.554 176.600 -0.231 0.000 1.048 1244 K CA 1.939 58.139 56.287 -0.146 0.000 0.929 1244 K CB -0.459 31.993 32.500 -0.079 0.000 0.713 1244 K HN 0.498 nan 8.250 nan 0.000 0.439 1245 F N 1.586 121.160 119.950 -0.628 0.000 2.069 1245 F HA -0.229 4.309 4.527 0.018 0.000 0.298 1245 F C 2.017 177.515 175.800 -0.502 0.000 1.113 1245 F CA 1.552 59.155 58.000 -0.661 0.000 1.214 1245 F CB -0.318 37.930 39.000 -1.253 0.000 0.978 1245 F HN 0.034 nan 8.300 nan 0.000 0.474 1246 M N 0.342 119.379 119.600 -0.937 0.000 2.296 1246 M HA -0.152 4.339 4.480 0.018 0.000 0.265 1246 M C 2.153 177.949 176.300 -0.840 0.000 1.064 1246 M CA 1.395 56.016 55.300 -1.131 0.000 1.109 1246 M CB -1.233 30.431 32.600 -1.559 0.000 1.396 1246 M HN 0.211 nan 8.290 nan 0.000 0.430 1247 K N -0.288 119.795 120.400 -0.527 0.000 2.009 1247 K HA -0.220 4.111 4.320 0.018 0.000 0.210 1247 K C 2.219 178.721 176.600 -0.163 0.000 1.049 1247 K CA 1.651 57.846 56.287 -0.152 0.000 0.929 1247 K CB -0.453 32.024 32.500 -0.038 0.000 0.714 1247 K HN 0.424 nan 8.250 nan 0.000 0.440 1248 H N -0.710 118.188 119.070 -0.287 0.000 2.321 1248 H HA -0.081 4.486 4.556 0.019 0.000 0.300 1248 H C 1.737 176.887 175.328 -0.296 0.000 1.087 1248 H CA 1.574 57.485 56.048 -0.228 0.000 1.319 1248 H CB 0.015 29.679 29.762 -0.164 0.000 1.379 1248 H HN 0.366 nan 8.280 nan 0.000 0.501 1249 A N 0.331 122.766 122.820 -0.641 0.000 1.933 1249 A HA -0.130 4.201 4.320 0.018 0.000 0.218 1249 A C 2.665 179.838 177.584 -0.686 0.000 1.175 1249 A CA 1.628 53.169 52.037 -0.827 0.000 0.628 1249 A CB -0.597 17.692 19.000 -1.185 0.000 0.814 1249 A HN 0.493 nan 8.150 nan 0.000 0.444 1250 S N -0.045 115.361 115.700 -0.490 0.000 2.402 1250 S HA 0.020 4.501 4.470 0.018 0.000 0.229 1250 S C 2.232 176.679 174.600 -0.255 0.000 1.021 1250 S CA 1.017 59.031 58.200 -0.310 0.000 0.974 1250 S CB -0.366 62.772 63.200 -0.104 0.000 0.800 1250 S HN 0.782 nan 8.310 nan 0.000 0.484 1251 A N 1.761 124.442 122.820 -0.232 0.000 1.855 1251 A HA -0.169 4.162 4.320 0.018 0.000 0.215 1251 A C 1.972 179.433 177.584 -0.205 0.000 1.191 1251 A CA 1.582 53.517 52.037 -0.169 0.000 0.613 1251 A CB -1.110 17.823 19.000 -0.113 0.000 0.829 1251 A HN 0.704 nan 8.150 nan 0.000 0.442 1252 H N -0.465 118.374 119.070 -0.385 0.000 2.387 1252 H HA -0.015 4.552 4.556 0.018 0.000 0.299 1252 H C 1.605 176.735 175.328 -0.329 0.000 1.090 1252 H CA 1.811 57.639 56.048 -0.366 0.000 1.332 1252 H CB -0.041 29.415 29.762 -0.510 0.000 1.386 1252 H HN 0.454 nan 8.280 nan 0.000 0.516 1253 I N 0.365 120.530 120.570 -0.674 0.000 3.603 1253 I HA -0.056 4.125 4.170 0.018 0.000 0.297 1253 I C 0.122 175.968 176.117 -0.452 0.000 1.269 1253 I CA 0.390 61.273 61.300 -0.695 0.000 1.361 1253 I CB 0.207 37.794 38.000 -0.689 0.000 1.063 1253 I HN 0.223 nan 8.210 nan 0.000 0.448 1254 E N -0.225 119.777 120.200 -0.330 0.000 2.553 1254 E HA -0.242 4.119 4.350 0.018 0.000 0.264 1254 E C 0.985 177.470 176.600 -0.192 0.000 1.068 1254 E CA 0.022 56.295 56.400 -0.212 0.000 0.774 1254 E CB -1.811 27.765 29.700 -0.207 0.000 1.349 1254 E HN 0.396 nan 8.360 nan 0.000 0.404 1255 I N -0.005 120.453 120.570 -0.187 0.000 2.248 1255 I HA -0.279 3.902 4.170 0.018 0.000 0.248 1255 I C 2.029 178.086 176.117 -0.100 0.000 1.107 1255 I CA 1.848 63.047 61.300 -0.168 0.000 1.373 1255 I CB -0.271 37.662 38.000 -0.111 0.000 1.055 1255 I HN 0.391 nan 8.210 nan 0.000 0.418 1256 F N 1.607 121.483 119.950 -0.123 0.000 2.043 1256 F HA -0.327 4.211 4.527 0.018 0.000 0.297 1256 F C 2.303 178.050 175.800 -0.088 0.000 1.121 1256 F CA 2.130 60.078 58.000 -0.085 0.000 1.199 1256 F CB -0.434 38.521 39.000 -0.076 0.000 0.968 1256 F HN 0.103 nan 8.300 nan 0.000 0.478 1257 D N -0.110 120.238 120.400 -0.087 0.000 2.219 1257 D HA -0.193 4.458 4.640 0.018 0.000 0.205 1257 D C 2.316 178.477 176.300 -0.231 0.000 0.970 1257 D CA 1.165 55.067 54.000 -0.163 0.000 0.851 1257 D CB -0.322 40.454 40.800 -0.041 0.000 0.943 1257 D HN 0.394 nan 8.370 nan 0.000 0.488 1258 M N -0.216 119.221 119.600 -0.272 0.000 2.200 1258 M HA -0.113 4.378 4.480 0.018 0.000 0.265 1258 M C 1.526 177.699 176.300 -0.211 0.000 1.066 1258 M CA 1.060 56.149 55.300 -0.352 0.000 1.127 1258 M CB 0.456 32.683 32.600 -0.622 0.000 1.379 1258 M HN -0.135 nan 8.290 nan 0.000 0.420 1259 V N -1.031 118.754 119.914 -0.215 0.000 2.911 1259 V HA 0.011 4.142 4.120 0.018 0.000 0.237 1259 V C 1.713 177.743 176.094 -0.107 0.000 1.156 1259 V CA 0.564 62.809 62.300 -0.092 0.000 1.180 1259 V CB 0.354 32.135 31.823 -0.069 0.000 0.932 1259 V HN 0.377 nan 8.190 nan 0.000 0.483 1260 L N -0.131 120.884 121.223 -0.346 0.000 2.515 1260 L HA 0.277 4.628 4.340 0.018 0.000 0.223 1260 L C 0.888 177.496 176.870 -0.438 0.000 1.079 1260 L CA 0.128 54.757 54.840 -0.353 0.000 0.857 1260 L CB 0.041 41.805 42.059 -0.493 0.000 1.050 1260 L HN 0.284 nan 8.230 nan 0.000 0.476 1261 N N 1.699 119.968 118.700 -0.718 0.000 2.402 1261 N HA -0.047 4.704 4.740 0.018 0.000 0.259 1261 N C 0.981 176.057 175.510 -0.723 0.000 1.167 1261 N CA 0.125 52.833 53.050 -0.570 0.000 0.949 1261 N CB 1.123 39.380 38.487 -0.384 0.000 1.212 1261 N HN 0.282 nan 8.380 nan 0.000 0.493 1262 E N 3.460 123.220 120.200 -0.734 0.000 2.204 1262 E HA -0.146 4.216 4.350 0.018 0.000 0.194 1262 E C 0.922 177.051 176.600 -0.783 0.000 0.989 1262 E CA 1.169 56.734 56.400 -1.391 0.000 0.824 1262 E CB 0.024 29.447 29.700 -0.462 0.000 0.756 1262 E HN 0.311 nan 8.360 nan 0.000 0.477 1263 K N 0.723 120.890 120.400 -0.388 0.000 2.218 1263 K HA -0.078 4.253 4.320 0.018 0.000 0.205 1263 K C 1.363 177.864 176.600 -0.166 0.000 1.046 1263 K CA 0.989 57.156 56.287 -0.201 0.000 0.933 1263 K CB -0.195 32.238 32.500 -0.111 0.000 0.728 1263 K HN 0.376 nan 8.250 nan 0.000 0.454 1264 L N -0.075 121.017 121.223 -0.219 0.000 2.872 1264 L HA 0.186 4.537 4.340 0.018 0.000 0.245 1264 L C 0.884 177.780 176.870 0.043 0.000 1.211 1264 L CA -0.362 54.428 54.840 -0.082 0.000 1.013 1264 L CB -0.182 41.833 42.059 -0.074 0.000 1.326 1264 L HN -0.146 nan 8.230 nan 0.000 0.525 1265 F N 1.645 121.569 119.950 -0.044 0.000 2.325 1265 F HA -0.098 4.440 4.527 0.018 0.000 0.299 1265 F C 2.275 178.060 175.800 -0.024 0.000 1.090 1265 F CA 0.735 58.707 58.000 -0.046 0.000 1.392 1265 F CB -0.424 38.540 39.000 -0.060 0.000 1.053 1265 F HN 0.207 nan 8.300 nan 0.000 0.521 1266 K N 0.287 120.779 120.400 0.152 0.000 2.283 1266 K HA -0.119 4.212 4.320 0.018 0.000 0.202 1266 K C 0.197 176.836 176.600 0.065 0.000 1.048 1266 K CA 0.679 57.018 56.287 0.086 0.000 0.948 1266 K CB -0.861 31.670 32.500 0.051 0.000 0.742 1266 K HN 0.186 nan 8.250 nan 0.000 0.458 1267 N N 1.114 119.854 118.700 0.067 0.000 2.525 1267 N HA -0.010 4.741 4.740 0.018 0.000 0.271 1267 N C 0.589 176.139 175.510 0.066 0.000 1.194 1267 N CA 0.111 53.193 53.050 0.054 0.000 0.964 1267 N CB 1.212 39.723 38.487 0.040 0.000 1.126 1267 N HN 0.240 nan 8.380 nan 0.000 0.452 1268 S N 1.657 117.389 115.700 0.053 0.000 2.380 1268 S HA -0.190 4.292 4.470 0.018 0.000 0.229 1268 S C 1.663 176.317 174.600 0.091 0.000 1.043 1268 S CA 1.246 59.479 58.200 0.055 0.000 1.038 1268 S CB -0.662 62.567 63.200 0.048 0.000 0.872 1268 S HN 0.990 nan 8.310 nan 0.000 0.456 1269 G N 0.706 109.572 108.800 0.110 0.000 2.194 1269 G HA2 -0.239 3.732 3.960 0.018 0.000 0.236 1269 G HA3 -0.239 3.732 3.960 0.018 0.000 0.236 1269 G C 0.427 175.447 174.900 0.201 0.000 0.987 1269 G CA 0.474 45.681 45.100 0.179 0.000 0.635 1269 G HN 0.479 nan 8.290 nan 0.000 0.520 1270 D N 0.445 120.928 120.400 0.138 0.000 2.144 1270 D HA 0.032 4.683 4.640 0.018 0.000 0.200 1270 D C 2.091 178.445 176.300 0.090 0.000 0.978 1270 D CA 1.361 55.438 54.000 0.129 0.000 0.833 1270 D CB -0.059 40.789 40.800 0.080 0.000 0.961 1270 D HN 0.656 nan 8.370 nan 0.000 0.470 1271 E N 0.141 120.365 120.200 0.039 0.000 2.072 1271 E HA -0.091 4.270 4.350 0.018 0.000 0.190 1271 E C 1.903 178.468 176.600 -0.059 0.000 0.982 1271 E CA 0.707 57.107 56.400 -0.001 0.000 0.803 1271 E CB 0.253 29.946 29.700 -0.012 0.000 0.755 1271 E HN 0.162 nan 8.360 nan 0.000 0.453 1272 K N -0.234 120.102 120.400 -0.106 0.000 2.031 1272 K HA -0.087 4.244 4.320 0.018 0.000 0.205 1272 K C 1.937 178.312 176.600 -0.374 0.000 1.049 1272 K CA 0.956 57.093 56.287 -0.251 0.000 0.939 1272 K CB -0.168 32.152 32.500 -0.299 0.000 0.717 1272 K HN 0.094 nan 8.250 nan 0.000 0.438 1273 F N 1.263 121.049 119.950 -0.274 0.000 2.216 1273 F HA -0.209 4.329 4.527 0.018 0.000 0.300 1273 F C 2.448 177.883 175.800 -0.609 0.000 1.085 1273 F CA 1.166 58.857 58.000 -0.514 0.000 1.326 1273 F CB -0.245 38.496 39.000 -0.433 0.000 1.027 1273 F HN 0.068 nan 8.300 nan 0.000 0.497 1274 A N -0.644 122.125 122.820 -0.085 0.000 1.929 1274 A HA -0.132 4.199 4.320 0.018 0.000 0.216 1274 A C 2.178 179.753 177.584 -0.014 0.000 1.176 1274 A CA 1.222 53.281 52.037 0.037 0.000 0.628 1274 A CB -0.322 18.731 19.000 0.089 0.000 0.816 1274 A HN 0.045 nan 8.150 nan 0.000 0.444 1275 K N -0.498 119.839 120.400 -0.105 0.000 2.103 1275 K HA -0.004 4.327 4.320 0.018 0.000 0.204 1275 K C 1.821 178.346 176.600 -0.125 0.000 1.052 1275 K CA 0.956 57.182 56.287 -0.101 0.000 0.945 1275 K CB -0.874 31.517 32.500 -0.181 0.000 0.722 1275 K HN 0.430 nan 8.250 nan 0.000 0.443 1276 L N 0.297 121.350 121.223 -0.284 0.000 2.042 1276 L HA -0.133 4.219 4.340 0.018 0.000 0.210 1276 L C 1.877 178.699 176.870 -0.080 0.000 1.076 1276 L CA 1.716 56.398 54.840 -0.264 0.000 0.749 1276 L CB -0.527 41.262 42.059 -0.450 0.000 0.893 1276 L HN -0.013 nan 8.230 nan 0.000 0.432 1277 F N -0.477 119.460 119.950 -0.021 0.000 2.234 1277 F HA -0.115 4.423 4.527 0.018 0.000 0.299 1277 F C 2.516 178.305 175.800 -0.018 0.000 1.087 1277 F CA 1.389 59.354 58.000 -0.058 0.000 1.340 1277 F CB -1.829 37.268 39.000 0.162 0.000 1.031 1277 F HN 0.071 nan 8.300 nan 0.000 0.500 1278 T N 0.285 114.975 114.554 0.228 0.000 2.777 1278 T HA -0.192 4.169 4.350 0.018 0.000 0.266 1278 T C 1.839 176.628 174.700 0.148 0.000 1.040 1278 T CA 1.142 63.350 62.100 0.180 0.000 1.141 1278 T CB -0.690 68.271 68.868 0.155 0.000 0.868 1278 T HN 0.257 nan 8.240 nan 0.000 0.444 1279 F N 1.685 121.639 119.950 0.007 0.000 2.134 1279 F HA -0.016 4.522 4.527 0.018 0.000 0.299 1279 F C 1.820 177.623 175.800 0.006 0.000 1.097 1279 F CA 1.208 59.219 58.000 0.019 0.000 1.264 1279 F CB -0.370 38.615 39.000 -0.025 0.000 1.001 1279 F HN 0.042 nan 8.300 nan 0.000 0.479 1280 L N 0.138 121.251 121.223 -0.183 0.000 2.109 1280 L HA -0.177 4.174 4.340 0.018 0.000 0.207 1280 L C 1.952 178.647 176.870 -0.292 0.000 1.086 1280 L CA 1.598 56.096 54.840 -0.570 0.000 0.760 1280 L CB -0.884 40.129 42.059 -1.744 0.000 0.910 1280 L HN 0.204 nan 8.230 nan 0.000 0.437 1281 N N -0.203 118.501 118.700 0.008 0.000 2.223 1281 N HA -0.187 4.564 4.740 0.018 0.000 0.185 1281 N C 1.627 177.239 175.510 0.170 0.000 1.016 1281 N CA 1.015 54.239 53.050 0.290 0.000 0.863 1281 N CB 0.049 38.709 38.487 0.287 0.000 0.983 1281 N HN 0.386 nan 8.380 nan 0.000 0.429 1282 E N -0.201 120.035 120.200 0.061 0.000 2.158 1282 E HA -0.098 4.263 4.350 0.018 0.000 0.191 1282 E C 1.293 177.929 176.600 0.060 0.000 0.982 1282 E CA 0.327 56.749 56.400 0.037 0.000 0.823 1282 E CB -0.002 29.704 29.700 0.009 0.000 0.766 1282 E HN 0.283 nan 8.360 nan 0.000 0.468 1283 F N 2.430 122.232 119.950 -0.246 0.000 2.102 1283 F HA -0.177 4.361 4.527 0.018 0.000 0.298 1283 F C 1.821 177.671 175.800 0.085 0.000 1.105 1283 F CA 1.808 59.723 58.000 -0.141 0.000 1.239 1283 F CB -0.586 38.290 39.000 -0.207 0.000 0.991 1283 F HN -0.054 nan 8.300 nan 0.000 0.474 1284 D N -0.176 120.399 120.400 0.291 0.000 2.144 1284 D HA -0.142 4.509 4.640 0.018 0.000 0.199 1284 D C 2.224 178.635 176.300 0.185 0.000 0.984 1284 D CA 1.305 55.518 54.000 0.355 0.000 0.834 1284 D CB -0.134 41.057 40.800 0.651 0.000 0.955 1284 D HN 0.278 nan 8.370 nan 0.000 0.465 1285 A N -0.231 122.671 122.820 0.136 0.000 1.873 1285 A HA -0.102 4.229 4.320 0.018 0.000 0.215 1285 A C 2.436 179.997 177.584 -0.039 0.000 1.186 1285 A CA 1.460 53.528 52.037 0.051 0.000 0.616 1285 A CB -0.832 18.187 19.000 0.032 0.000 0.823 1285 A HN 0.212 nan 8.150 nan 0.000 0.442 1286 V N 0.008 119.892 119.914 -0.051 0.000 2.295 1286 V HA -0.233 3.898 4.120 0.018 0.000 0.246 1286 V C 2.506 178.522 176.094 -0.130 0.000 1.049 1286 V CA 1.746 63.950 62.300 -0.160 0.000 1.024 1286 V CB -0.856 30.962 31.823 -0.009 0.000 0.648 1286 V HN 0.457 nan 8.190 nan 0.000 0.447 1287 L N -0.130 121.023 121.223 -0.116 0.000 2.013 1287 L HA -0.222 4.129 4.340 0.018 0.000 0.212 1287 L C 2.561 179.375 176.870 -0.093 0.000 1.073 1287 L CA 2.143 56.838 54.840 -0.241 0.000 0.753 1287 L CB -1.523 40.060 42.059 -0.793 0.000 0.890 1287 L HN 0.430 nan 8.230 nan 0.000 0.432 1288 C N -1.149 118.154 119.300 0.004 0.000 2.440 1288 C HA -0.149 4.322 4.460 0.018 0.000 0.278 1288 C C 2.782 177.759 174.990 -0.023 0.000 1.295 1288 C CA 0.525 59.575 59.018 0.054 0.000 1.738 1288 C CB -0.751 27.036 27.740 0.078 0.000 1.987 1288 C HN 0.518 nan 8.230 nan 0.000 0.492 1289 K N 0.561 120.885 120.400 -0.127 0.000 1.991 1289 K HA -0.153 4.178 4.320 0.018 0.000 0.212 1289 K C 1.092 177.601 176.600 -0.152 0.000 1.049 1289 K CA 1.740 57.881 56.287 -0.243 0.000 0.932 1289 K CB -0.297 31.881 32.500 -0.536 0.000 0.717 1289 K HN 0.395 nan 8.250 nan 0.000 0.441 1290 F N 1.873 121.827 119.950 0.008 0.000 2.725 1290 F HA 0.132 4.671 4.527 0.020 0.000 0.303 1290 F C 0.156 175.940 175.800 -0.028 0.000 1.167 1290 F CA 0.344 58.348 58.000 0.006 0.000 1.403 1290 F CB -0.580 38.431 39.000 0.018 0.000 1.077 1290 F HN 0.204 nan 8.300 nan 0.000 0.537 1291 Q N -0.336 119.534 119.800 0.118 0.000 2.475 1291 Q HA -0.181 4.170 4.340 0.018 0.000 0.280 1291 Q C 0.101 176.126 176.000 0.041 0.000 1.234 1291 Q CA 0.490 56.332 55.803 0.065 0.000 0.873 1291 Q CB -1.735 27.034 28.738 0.052 0.000 1.256 1291 Q HN 0.331 nan 8.270 nan 0.000 0.475 1292 V N -1.299 118.636 119.914 0.036 0.000 2.637 1292 V HA 0.377 4.508 4.120 0.018 0.000 0.296 1292 V C 0.896 177.010 176.094 0.033 0.000 1.046 1292 V CA -0.068 62.237 62.300 0.009 0.000 1.066 1292 V CB 1.144 32.947 31.823 -0.034 0.000 0.968 1292 V HN 0.258 nan 8.190 nan 0.000 0.483 1293 V N 3.355 123.274 119.914 0.009 0.000 2.999 1293 V HA 0.137 4.268 4.120 0.018 0.000 0.307 1293 V C 1.323 177.440 176.094 0.038 0.000 1.084 1293 V CA 0.496 62.803 62.300 0.012 0.000 1.155 1293 V CB 0.319 32.133 31.823 -0.015 0.000 0.975 1293 V HN 0.988 nan 8.190 nan 0.000 0.490 1294 D N 2.408 122.822 120.400 0.023 0.000 2.106 1294 D HA -0.195 4.456 4.640 0.018 0.000 0.191 1294 D C 2.304 178.627 176.300 0.039 0.000 0.997 1294 D CA 2.388 56.393 54.000 0.008 0.000 0.834 1294 D CB 0.027 40.812 40.800 -0.025 0.000 0.956 1294 D HN 0.987 nan 8.370 nan 0.000 0.448 1295 S N 0.062 115.789 115.700 0.044 0.000 2.419 1295 S HA -0.174 4.307 4.470 0.018 0.000 0.233 1295 S C 1.867 176.536 174.600 0.115 0.000 1.016 1295 S CA 0.770 59.024 58.200 0.090 0.000 0.974 1295 S CB -0.134 63.107 63.200 0.070 0.000 0.786 1295 S HN 0.097 nan 8.310 nan 0.000 0.492 1296 M N 1.261 120.899 119.600 0.063 0.000 2.349 1296 M HA 0.165 4.656 4.480 0.018 0.000 0.266 1296 M C 1.772 178.084 176.300 0.019 0.000 1.076 1296 M CA 1.314 56.634 55.300 0.033 0.000 1.126 1296 M CB -0.778 31.818 32.600 -0.006 0.000 1.392 1296 M HN 0.554 nan 8.290 nan 0.000 0.440 1297 H N -0.994 118.003 119.070 -0.122 0.000 2.321 1297 H HA -0.142 4.425 4.556 0.018 0.000 0.300 1297 H C 1.904 177.008 175.328 -0.373 0.000 1.087 1297 H CA 2.404 58.270 56.048 -0.303 0.000 1.319 1297 H CB 0.107 29.713 29.762 -0.259 0.000 1.379 1297 H HN 0.546 nan 8.280 nan 0.000 0.501 1298 T N -1.311 113.290 114.554 0.078 0.000 2.821 1298 T HA -0.192 4.169 4.350 0.018 0.000 0.267 1298 T C 1.978 176.775 174.700 0.160 0.000 1.046 1298 T CA 1.466 63.659 62.100 0.155 0.000 1.139 1298 T CB -0.260 68.705 68.868 0.163 0.000 0.871 1298 T HN 0.346 nan 8.240 nan 0.000 0.454 1299 K N 1.090 121.538 120.400 0.079 0.000 2.032 1299 K HA -0.041 4.290 4.320 0.018 0.000 0.209 1299 K C 2.338 179.014 176.600 0.128 0.000 1.048 1299 K CA 1.553 57.849 56.287 0.014 0.000 0.927 1299 K CB -0.523 31.858 32.500 -0.199 0.000 0.712 1299 K HN 0.445 nan 8.250 nan 0.000 0.441 1300 I N 0.573 121.218 120.570 0.125 0.000 2.194 1300 I HA -0.288 3.893 4.170 0.018 0.000 0.246 1300 I C 1.951 178.294 176.117 0.377 0.000 1.093 1300 I CA 1.133 62.573 61.300 0.233 0.000 1.355 1300 I CB -0.266 37.800 38.000 0.110 0.000 1.046 1300 I HN 0.151 nan 8.210 nan 0.000 0.413 1301 F N 1.052 121.178 119.950 0.294 0.000 2.163 1301 F HA -0.120 4.418 4.527 0.019 0.000 0.297 1301 F C 2.253 178.244 175.800 0.318 0.000 1.094 1301 F CA 1.117 59.379 58.000 0.436 0.000 1.290 1301 F CB -1.507 37.833 39.000 0.566 0.000 1.017 1301 F HN 0.128 nan 8.300 nan 0.000 0.483 1302 N N 0.212 119.155 118.700 0.406 0.000 2.069 1302 N HA -0.197 4.554 4.740 0.018 0.000 0.191 1302 N C 1.297 176.948 175.510 0.236 0.000 1.031 1302 N CA 1.623 54.819 53.050 0.243 0.000 0.852 1302 N CB -0.201 38.399 38.487 0.190 0.000 1.018 1302 N HN 0.115 nan 8.380 nan 0.000 0.423 1303 D N -0.389 120.155 120.400 0.238 0.000 2.178 1303 D HA -0.068 4.583 4.640 0.018 0.000 0.202 1303 D C 1.806 178.261 176.300 0.259 0.000 0.974 1303 D CA 0.957 55.077 54.000 0.200 0.000 0.841 1303 D CB -0.525 40.155 40.800 -0.200 0.000 0.953 1303 D HN 0.215 nan 8.370 nan 0.000 0.478 1304 T N 1.131 115.864 114.554 0.299 0.000 2.684 1304 T HA -0.084 4.277 4.350 0.018 0.000 0.267 1304 T C 2.171 177.042 174.700 0.286 0.000 1.036 1304 T CA 0.624 62.935 62.100 0.352 0.000 1.148 1304 T CB -0.258 68.963 68.868 0.589 0.000 0.863 1304 T HN 0.143 nan 8.240 nan 0.000 0.436 1305 L N 0.371 121.686 121.223 0.153 0.000 2.083 1305 L HA -0.099 4.252 4.340 0.018 0.000 0.209 1305 L C 2.643 179.600 176.870 0.145 0.000 1.083 1305 L CA 1.356 56.218 54.840 0.037 0.000 0.752 1305 L CB -0.471 41.493 42.059 -0.159 0.000 0.899 1305 L HN 0.245 nan 8.230 nan 0.000 0.433 1306 K N -0.766 119.775 120.400 0.235 0.000 2.097 1306 K HA -0.228 4.103 4.320 0.018 0.000 0.206 1306 K C 2.109 178.874 176.600 0.276 0.000 1.049 1306 K CA 1.541 57.980 56.287 0.253 0.000 0.933 1306 K CB -0.270 32.444 32.500 0.356 0.000 0.717 1306 K HN 0.197 nan 8.250 nan 0.000 0.442 1307 Y N 1.471 121.941 120.300 0.283 0.000 2.224 1307 Y HA -0.169 4.391 4.550 0.018 0.000 0.289 1307 Y C 1.729 177.695 175.900 0.110 0.000 1.146 1307 Y CA 1.283 59.511 58.100 0.214 0.000 1.182 1307 Y CB 0.018 38.613 38.460 0.225 0.000 0.983 1307 Y HN -0.068 nan 8.280 nan 0.000 0.524 1308 L N -0.059 121.318 121.223 0.256 0.000 2.179 1308 L HA -0.153 4.199 4.340 0.018 0.000 0.208 1308 L C 2.233 179.139 176.870 0.060 0.000 1.096 1308 L CA 1.196 56.126 54.840 0.151 0.000 0.779 1308 L CB -0.703 41.450 42.059 0.156 0.000 0.922 1308 L HN 0.260 nan 8.230 nan 0.000 0.443 1309 N N 0.378 119.116 118.700 0.064 0.000 2.037 1309 N HA -0.216 4.535 4.740 0.018 0.000 0.196 1309 N C 1.707 177.246 175.510 0.048 0.000 1.034 1309 N CA 1.960 55.045 53.050 0.058 0.000 0.861 1309 N CB -0.255 38.257 38.487 0.041 0.000 1.039 1309 N HN 0.032 nan 8.380 nan 0.000 0.427 1310 V N 0.782 120.665 119.914 -0.052 0.000 2.261 1310 V HA -0.240 3.891 4.120 0.018 0.000 0.246 1310 V C 2.435 178.491 176.094 -0.064 0.000 1.047 1310 V CA 2.122 64.368 62.300 -0.090 0.000 1.015 1310 V CB -0.625 31.042 31.823 -0.260 0.000 0.642 1310 V HN 0.505 nan 8.190 nan 0.000 0.446 1311 M N -0.897 118.586 119.600 -0.195 0.000 2.132 1311 M HA -0.144 4.347 4.480 0.018 0.000 0.263 1311 M C 2.116 178.435 176.300 0.031 0.000 1.065 1311 M CA 1.952 57.184 55.300 -0.113 0.000 1.122 1311 M CB -0.140 32.385 32.600 -0.126 0.000 1.365 1311 M HN 0.284 nan 8.290 nan 0.000 0.411 1312 L N -0.777 120.489 121.223 0.072 0.000 2.044 1312 L HA -0.179 4.172 4.340 0.018 0.000 0.205 1312 L C 2.414 179.377 176.870 0.155 0.000 1.075 1312 L CA 1.087 56.000 54.840 0.123 0.000 0.747 1312 L CB -0.712 41.418 42.059 0.118 0.000 0.903 1312 L HN 0.262 nan 8.230 nan 0.000 0.435 1313 F N 1.368 121.341 119.950 0.039 0.000 2.102 1313 F HA -0.242 4.296 4.527 0.018 0.000 0.298 1313 F C 2.356 178.182 175.800 0.043 0.000 1.105 1313 F CA 1.702 59.733 58.000 0.051 0.000 1.239 1313 F CB -0.292 38.729 39.000 0.036 0.000 0.991 1313 F HN 0.100 nan 8.300 nan 0.000 0.474 1314 N N 0.746 119.492 118.700 0.076 0.000 2.104 1314 N HA -0.177 4.574 4.740 0.018 0.000 0.190 1314 N C 1.426 176.878 175.510 -0.096 0.000 1.024 1314 N CA 1.709 54.740 53.050 -0.032 0.000 0.853 1314 N CB -0.709 37.793 38.487 0.025 0.000 1.008 1314 N HN 0.340 nan 8.380 nan 0.000 0.424 1315 D N 0.231 120.619 120.400 -0.019 0.000 2.224 1315 D HA -0.068 4.584 4.640 0.018 0.000 0.205 1315 D C 2.008 178.347 176.300 0.066 0.000 0.965 1315 D CA 0.158 54.177 54.000 0.032 0.000 0.852 1315 D CB -0.252 40.661 40.800 0.188 0.000 0.947 1315 D HN 0.160 nan 8.370 nan 0.000 0.494 1316 L N 0.445 121.669 121.223 0.002 0.000 2.046 1316 L HA -0.144 4.207 4.340 0.018 0.000 0.208 1316 L C 1.807 178.596 176.870 -0.135 0.000 1.077 1316 L CA 1.379 56.209 54.840 -0.018 0.000 0.747 1316 L CB -0.199 41.825 42.059 -0.060 0.000 0.896 1316 L HN -0.082 nan 8.230 nan 0.000 0.432 1317 I N -0.338 120.067 120.570 -0.275 0.000 2.286 1317 I HA -0.157 4.024 4.170 0.018 0.000 0.245 1317 I C 2.446 178.478 176.117 -0.141 0.000 1.104 1317 I CA 1.797 62.952 61.300 -0.242 0.000 1.397 1317 I CB -1.900 35.914 38.000 -0.310 0.000 1.072 1317 I HN 0.505 nan 8.210 nan 0.000 0.417 1318 T N -2.120 112.361 114.554 -0.121 0.000 2.976 1318 T HA 0.019 4.380 4.350 0.018 0.000 0.257 1318 T C 1.810 176.448 174.700 -0.102 0.000 1.051 1318 T CA 0.504 62.543 62.100 -0.102 0.000 1.141 1318 T CB -0.010 68.798 68.868 -0.100 0.000 0.881 1318 T HN 0.127 nan 8.240 nan 0.000 0.461 1319 K N -0.258 120.086 120.400 -0.093 0.000 2.355 1319 K HA 0.346 4.677 4.320 0.018 0.000 0.198 1319 K C -0.398 176.202 176.600 0.001 0.000 1.039 1319 K CA -0.186 56.033 56.287 -0.113 0.000 1.075 1319 K CB 0.605 32.923 32.500 -0.304 0.000 0.870 1319 K HN 0.293 nan 8.250 nan 0.000 0.540 1320 C N 2.624 121.927 119.300 0.006 0.000 2.271 1320 C HA 0.268 4.739 4.460 0.018 0.000 0.323 1320 C C -1.205 173.706 174.990 -0.133 0.000 1.245 1320 C CA -1.745 57.255 59.018 -0.029 0.000 1.548 1320 C CB 1.174 28.873 27.740 -0.069 0.000 2.214 1320 C HN 0.302 nan 8.230 nan 0.000 0.477 1321 P HA -0.045 nan 4.420 nan 0.000 0.212 1321 P C 0.264 177.466 177.300 -0.164 0.000 1.180 1321 P CA 1.578 64.605 63.100 -0.122 0.000 0.906 1321 P CB 0.412 32.052 31.700 -0.100 0.000 0.782 1322 A N -0.753 121.933 122.820 -0.223 0.000 2.413 1322 A HA 0.749 5.080 4.320 0.018 0.000 0.307 1322 A C -1.012 176.334 177.584 -0.397 0.000 1.087 1322 A CA -0.693 51.196 52.037 -0.246 0.000 0.750 1322 A CB 1.043 19.931 19.000 -0.187 0.000 1.296 1322 A HN 0.077 nan 8.150 nan 0.000 0.423 1323 L N 1.617 122.594 121.223 -0.409 0.000 2.422 1323 L HA 0.584 4.935 4.340 0.018 0.000 0.264 1323 L C -0.648 175.831 176.870 -0.652 0.000 0.984 1323 L CA -0.829 53.712 54.840 -0.498 0.000 0.819 1323 L CB 2.530 44.377 42.059 -0.353 0.000 1.330 1323 L HN 1.047 nan 8.230 nan 0.000 0.410 1324 N N -0.600 117.810 118.700 -0.483 0.000 3.039 1324 N HA 0.247 4.998 4.740 0.018 0.000 0.257 1324 N C 0.293 175.757 175.510 -0.075 0.000 1.497 1324 N CA -1.020 51.659 53.050 -0.619 0.000 0.861 1324 N CB 0.296 38.506 38.487 -0.462 0.000 1.479 1324 N HN 0.725 nan 8.380 nan 0.000 0.547 1325 W N -0.624 120.779 121.300 0.172 0.000 2.374 1325 W HA -0.006 4.665 4.660 0.018 0.000 0.288 1325 W C 0.938 177.574 176.519 0.195 0.000 1.218 1325 W CA 1.440 58.927 57.345 0.235 0.000 1.245 1325 W CB -0.628 28.970 29.460 0.230 0.000 1.126 1325 W HN 0.559 nan 8.180 nan 0.000 0.545 1326 K N 0.901 120.693 120.400 -1.015 0.000 2.025 1326 K HA -0.216 4.115 4.320 0.018 0.000 0.207 1326 K C 2.173 178.640 176.600 -0.221 0.000 1.049 1326 K CA 1.889 57.656 56.287 -0.867 0.000 0.933 1326 K CB -1.619 30.236 32.500 -1.075 0.000 0.714 1326 K HN 0.196 nan 8.250 nan 0.000 0.438 1327 Y N 0.243 120.424 120.300 -0.198 0.000 2.151 1327 Y HA -0.198 4.363 4.550 0.018 0.000 0.284 1327 Y C 1.945 177.853 175.900 0.014 0.000 1.166 1327 Y CA 2.301 60.407 58.100 0.009 0.000 1.163 1327 Y CB -0.686 37.782 38.460 0.012 0.000 0.974 1327 Y HN 0.148 nan 8.280 nan 0.000 0.511 1328 G N -1.213 107.696 108.800 0.181 0.000 2.404 1328 G HA2 -0.362 3.609 3.960 0.018 0.000 0.215 1328 G HA3 -0.362 3.609 3.960 0.018 0.000 0.215 1328 G C 1.538 176.472 174.900 0.057 0.000 1.174 1328 G CA 0.909 46.111 45.100 0.170 0.000 0.780 1328 G HN 0.599 nan 8.290 nan 0.000 0.537 1329 Y N 1.623 121.918 120.300 -0.010 0.000 2.165 1329 Y HA -0.129 4.432 4.550 0.019 0.000 0.286 1329 Y C 2.778 178.568 175.900 -0.183 0.000 1.155 1329 Y CA 2.114 60.196 58.100 -0.031 0.000 1.164 1329 Y CB 0.113 38.601 38.460 0.046 0.000 0.978 1329 Y HN 0.176 nan 8.280 nan 0.000 0.513 1330 E N -0.326 119.661 120.200 -0.355 0.000 2.072 1330 E HA -0.141 4.220 4.350 0.018 0.000 0.191 1330 E C 2.455 178.626 176.600 -0.714 0.000 0.985 1330 E CA 1.408 57.386 56.400 -0.704 0.000 0.801 1330 E CB -0.660 28.325 29.700 -1.192 0.000 0.750 1330 E HN 0.440 nan 8.360 nan 0.000 0.452 1331 V N 2.062 121.622 119.914 -0.590 0.000 2.407 1331 V HA -0.231 3.900 4.120 0.018 0.000 0.248 1331 V C 2.120 178.076 176.094 -0.230 0.000 1.055 1331 V CA 1.845 63.935 62.300 -0.350 0.000 1.049 1331 V CB -0.492 31.168 31.823 -0.271 0.000 0.662 1331 V HN 0.115 nan 8.190 nan 0.000 0.455 1332 D N 0.205 120.458 120.400 -0.245 0.000 2.104 1332 D HA -0.162 4.489 4.640 0.018 0.000 0.194 1332 D C 2.440 178.603 176.300 -0.229 0.000 0.994 1332 D CA 1.199 55.085 54.000 -0.190 0.000 0.830 1332 D CB -0.143 40.530 40.800 -0.211 0.000 0.959 1332 D HN 0.306 nan 8.370 nan 0.000 0.452 1333 R N 0.293 120.562 120.500 -0.385 0.000 2.096 1333 R HA -0.068 4.283 4.340 0.018 0.000 0.235 1333 R C 2.031 178.205 176.300 -0.211 0.000 1.127 1333 R CA 0.920 56.824 56.100 -0.327 0.000 0.968 1333 R CB -0.939 29.103 30.300 -0.430 0.000 0.861 1333 R HN 0.430 nan 8.270 nan 0.000 0.440 1334 N N 0.531 119.127 118.700 -0.173 0.000 2.188 1334 N HA -0.038 4.713 4.740 0.018 0.000 0.184 1334 N C 1.966 177.534 175.510 0.096 0.000 1.018 1334 N CA 0.616 53.669 53.050 0.005 0.000 0.858 1334 N CB -0.065 38.485 38.487 0.105 0.000 0.989 1334 N HN 0.133 nan 8.380 nan 0.000 0.426 1335 I N 1.341 121.930 120.570 0.032 0.000 2.202 1335 I HA -0.206 3.975 4.170 0.018 0.000 0.242 1335 I C 1.943 178.118 176.117 0.096 0.000 1.091 1335 I CA 1.007 62.357 61.300 0.084 0.000 1.368 1335 I CB -0.127 37.902 38.000 0.049 0.000 1.058 1335 I HN 0.093 nan 8.210 nan 0.000 0.410 1336 E N 0.574 120.789 120.200 0.025 0.000 2.118 1336 E HA -0.221 4.140 4.350 0.018 0.000 0.195 1336 E C 2.109 178.737 176.600 0.047 0.000 0.992 1336 E CA 0.980 57.397 56.400 0.029 0.000 0.804 1336 E CB -0.447 29.239 29.700 -0.023 0.000 0.741 1336 E HN 0.397 nan 8.360 nan 0.000 0.458 1337 R N 0.289 120.775 120.500 -0.023 0.000 2.070 1337 R HA -0.078 4.273 4.340 0.018 0.000 0.233 1337 R C 2.577 179.036 176.300 0.266 0.000 1.137 1337 R CA 1.219 57.282 56.100 -0.061 0.000 0.945 1337 R CB -0.546 29.389 30.300 -0.609 0.000 0.845 1337 R HN 0.196 nan 8.270 nan 0.000 0.430 1338 L N 0.472 121.941 121.223 0.411 0.000 2.043 1338 L HA -0.202 4.149 4.340 0.018 0.000 0.212 1338 L C 2.099 179.322 176.870 0.588 0.000 1.075 1338 L CA 1.413 56.601 54.840 0.581 0.000 0.752 1338 L CB -0.170 42.145 42.059 0.426 0.000 0.891 1338 L HN 0.060 nan 8.230 nan 0.000 0.432 1339 V N -0.343 119.814 119.914 0.405 0.000 2.719 1339 V HA -0.204 3.927 4.120 0.018 0.000 0.252 1339 V C 2.696 179.020 176.094 0.383 0.000 1.065 1339 V CA 1.381 63.922 62.300 0.401 0.000 1.086 1339 V CB -0.028 31.923 31.823 0.213 0.000 0.700 1339 V HN 0.795 nan 8.190 nan 0.000 0.467 1340 S N -0.725 115.134 115.700 0.265 0.000 2.392 1340 S HA -0.358 4.123 4.470 0.018 0.000 0.232 1340 S C 1.696 176.333 174.600 0.060 0.000 1.041 1340 S CA 1.964 60.240 58.200 0.126 0.000 1.026 1340 S CB -0.990 62.244 63.200 0.056 0.000 0.845 1340 S HN 0.759 nan 8.310 nan 0.000 0.465 1341 W N 1.365 122.620 121.300 -0.074 0.000 2.358 1341 W HA 0.003 4.674 4.660 0.018 0.000 0.303 1341 W C 1.494 177.849 176.519 -0.273 0.000 1.208 1341 W CA 1.298 58.464 57.345 -0.297 0.000 1.274 1341 W CB -0.403 28.877 29.460 -0.299 0.000 1.138 1341 W HN 0.302 nan 8.180 nan 0.000 0.515 1342 F N 0.459 120.567 119.950 0.264 0.000 2.661 1342 F HA -0.010 4.528 4.527 0.018 0.000 0.298 1342 F C 2.194 177.976 175.800 -0.030 0.000 1.137 1342 F CA 1.341 59.429 58.000 0.147 0.000 1.454 1342 F CB -0.592 38.558 39.000 0.249 0.000 1.103 1342 F HN -0.060 nan 8.300 nan 0.000 0.577 1343 E N 0.687 120.936 120.200 0.081 0.000 2.072 1343 E HA -0.100 4.261 4.350 0.018 0.000 0.190 1343 E C -0.777 175.805 176.600 -0.028 0.000 0.982 1343 E CA 0.608 57.041 56.400 0.054 0.000 0.803 1343 E CB -0.865 28.865 29.700 0.050 0.000 0.755 1343 E HN 0.183 nan 8.360 nan 0.000 0.453 1344 P HA -0.041 nan 4.420 nan 0.000 0.269 1344 P C -0.058 177.165 177.300 -0.129 0.000 1.376 1344 P CA 0.740 63.757 63.100 -0.138 0.000 0.775 1344 P CB 0.064 31.640 31.700 -0.208 0.000 1.345 1345 R N -0.628 119.831 120.500 -0.069 0.000 2.561 1345 R HA 0.337 4.688 4.340 0.018 0.000 0.213 1345 R C 1.207 177.582 176.300 0.125 0.000 0.885 1345 R CA 0.102 56.197 56.100 -0.009 0.000 1.002 1345 R CB 0.602 30.863 30.300 -0.064 0.000 1.432 1345 R HN 0.223 nan 8.270 nan 0.000 0.651 1346 I N -0.857 119.811 120.570 0.165 0.000 3.174 1346 I HA 0.298 4.479 4.170 0.018 0.000 0.313 1346 I C 0.978 177.178 176.117 0.138 0.000 1.155 1346 I CA -0.877 60.544 61.300 0.201 0.000 0.977 1346 I CB 2.054 40.251 38.000 0.328 0.000 1.248 1346 I HN -0.036 nan 8.210 nan 0.000 0.453 1347 E N 1.927 122.204 120.200 0.127 0.000 2.013 1347 E HA -0.220 4.141 4.350 0.018 0.000 0.202 1347 E C -0.351 176.302 176.600 0.088 0.000 1.018 1347 E CA 1.621 58.078 56.400 0.095 0.000 0.834 1347 E CB -0.214 29.546 29.700 0.099 0.000 0.770 1347 E HN 0.758 nan 8.360 nan 0.000 0.459 1348 D N -0.622 119.838 120.400 0.100 0.000 2.419 1348 D HA 0.075 4.726 4.640 0.018 0.000 0.219 1348 D C 0.385 176.740 176.300 0.092 0.000 1.349 1348 D CA -0.000 54.051 54.000 0.085 0.000 0.964 1348 D CB 1.742 42.585 40.800 0.070 0.000 1.463 1348 D HN -0.012 nan 8.370 nan 0.000 0.573 1349 V N 2.394 122.365 119.914 0.095 0.000 2.951 1349 V HA 0.137 4.268 4.120 0.018 0.000 0.255 1349 V C 2.021 178.141 176.094 0.043 0.000 1.088 1349 V CA 0.560 62.903 62.300 0.071 0.000 1.109 1349 V CB -0.307 31.556 31.823 0.067 0.000 0.724 1349 V HN 0.353 nan 8.190 nan 0.000 0.471 1350 R N 0.927 121.460 120.500 0.056 0.000 2.115 1350 R HA 0.010 4.361 4.340 0.018 0.000 0.230 1350 R C 0.090 176.419 176.300 0.049 0.000 1.111 1350 R CA 1.585 57.717 56.100 0.053 0.000 0.976 1350 R CB -1.701 28.634 30.300 0.059 0.000 0.870 1350 R HN 0.479 nan 8.270 nan 0.000 0.445 1351 P HA -0.105 nan 4.420 nan 0.000 0.219 1351 P C 0.251 177.577 177.300 0.043 0.000 1.146 1351 P CA 1.297 64.423 63.100 0.043 0.000 0.808 1351 P CB -0.158 31.570 31.700 0.047 0.000 0.779 1352 N N -0.954 117.777 118.700 0.051 0.000 2.381 1352 N HA -0.054 4.697 4.740 0.018 0.000 0.182 1352 N C 0.773 176.311 175.510 0.047 0.000 1.025 1352 N CA 0.625 53.710 53.050 0.059 0.000 0.888 1352 N CB -0.347 38.177 38.487 0.062 0.000 0.965 1352 N HN 0.160 nan 8.380 nan 0.000 0.438 1353 L N 0.461 121.708 121.223 0.040 0.000 3.017 1353 L HA 0.287 4.638 4.340 0.018 0.000 0.255 1353 L C 1.190 178.091 176.870 0.052 0.000 1.247 1353 L CA -0.146 54.723 54.840 0.047 0.000 1.038 1353 L CB 0.162 42.252 42.059 0.051 0.000 1.380 1353 L HN 0.226 nan 8.230 nan 0.000 0.548 1354 I N 0.029 120.617 120.570 0.031 0.000 2.264 1354 I HA -0.341 3.840 4.170 0.018 0.000 0.248 1354 I C 2.172 178.306 176.117 0.027 0.000 1.111 1354 I CA 1.628 62.944 61.300 0.027 0.000 1.382 1354 I CB 0.465 38.460 38.000 -0.007 0.000 1.060 1354 I HN 0.504 nan 8.210 nan 0.000 0.418 1355 Q N 0.153 119.933 119.800 -0.032 0.000 2.083 1355 Q HA -0.161 4.190 4.340 0.018 0.000 0.198 1355 Q C 1.953 178.000 176.000 0.080 0.000 0.969 1355 Q CA 1.604 57.337 55.803 -0.117 0.000 0.838 1355 Q CB -0.209 28.275 28.738 -0.423 0.000 0.900 1355 Q HN 0.559 nan 8.270 nan 0.000 0.436 1356 I N -0.383 120.281 120.570 0.156 0.000 2.500 1356 I HA -0.141 4.040 4.170 0.018 0.000 0.252 1356 I C 1.349 177.599 176.117 0.221 0.000 1.142 1356 I CA 0.832 62.302 61.300 0.283 0.000 1.451 1356 I CB -0.025 38.114 38.000 0.230 0.000 1.093 1356 I HN 0.132 nan 8.210 nan 0.000 0.430 1357 I N 0.661 121.327 120.570 0.161 0.000 2.179 1357 I HA -0.245 3.936 4.170 0.018 0.000 0.242 1357 I C 2.380 178.615 176.117 0.196 0.000 1.088 1357 I CA 1.344 62.734 61.300 0.150 0.000 1.357 1357 I CB -1.590 36.481 38.000 0.117 0.000 1.051 1357 I HN 0.373 nan 8.210 nan 0.000 0.409 1358 Q N 0.525 120.466 119.800 0.235 0.000 2.170 1358 Q HA -0.120 4.231 4.340 0.018 0.000 0.203 1358 Q C 2.377 178.574 176.000 0.328 0.000 0.976 1358 Q CA 1.702 57.702 55.803 0.329 0.000 0.858 1358 Q CB -0.349 28.685 28.738 0.494 0.000 0.907 1358 Q HN 0.547 nan 8.270 nan 0.000 0.433 1359 A N 1.152 124.175 122.820 0.338 0.000 1.873 1359 A HA -0.121 4.211 4.320 0.018 0.000 0.215 1359 A C 2.308 180.060 177.584 0.279 0.000 1.186 1359 A CA 1.820 54.071 52.037 0.356 0.000 0.616 1359 A CB -0.712 18.569 19.000 0.468 0.000 0.823 1359 A HN 0.300 nan 8.150 nan 0.000 0.442 1360 V N -2.556 117.508 119.914 0.250 0.000 3.041 1360 V HA -0.029 4.103 4.120 0.018 0.000 0.260 1360 V C 1.819 178.042 176.094 0.216 0.000 1.105 1360 V CA 1.929 64.362 62.300 0.222 0.000 1.125 1360 V CB -0.653 31.267 31.823 0.161 0.000 0.730 1360 V HN 0.458 nan 8.190 nan 0.000 0.479 1361 K N 0.394 120.919 120.400 0.209 0.000 2.103 1361 K HA 0.134 4.465 4.320 0.018 0.000 0.204 1361 K C 2.078 178.805 176.600 0.211 0.000 1.052 1361 K CA 1.712 58.117 56.287 0.196 0.000 0.945 1361 K CB -0.317 32.286 32.500 0.171 0.000 0.722 1361 K HN 0.447 nan 8.250 nan 0.000 0.443 1362 I N 1.342 122.051 120.570 0.231 0.000 2.264 1362 I HA -0.309 3.872 4.170 0.018 0.000 0.248 1362 I C 2.042 178.312 176.117 0.256 0.000 1.111 1362 I CA 1.251 62.694 61.300 0.238 0.000 1.382 1362 I CB -0.129 37.998 38.000 0.211 0.000 1.060 1362 I HN 0.144 nan 8.210 nan 0.000 0.418 1363 L N -0.295 121.102 121.223 0.290 0.000 2.201 1363 L HA -0.210 4.141 4.340 0.018 0.000 0.212 1363 L C 2.227 179.357 176.870 0.434 0.000 1.105 1363 L CA 1.208 56.275 54.840 0.379 0.000 0.775 1363 L CB -0.313 41.951 42.059 0.341 0.000 0.913 1363 L HN 0.340 nan 8.230 nan 0.000 0.440 1364 Q N -0.495 119.514 119.800 0.350 0.000 2.408 1364 Q HA 0.122 4.473 4.340 0.018 0.000 0.205 1364 Q C 0.313 176.446 176.000 0.222 0.000 0.919 1364 Q CA -0.096 55.920 55.803 0.355 0.000 0.932 1364 Q CB 0.231 29.169 28.738 0.333 0.000 1.058 1364 Q HN 0.417 nan 8.270 nan 0.000 0.517 1365 L N 2.727 124.057 121.223 0.178 0.000 2.514 1365 L HA -0.033 4.318 4.340 0.018 0.000 0.280 1365 L C 0.408 177.321 176.870 0.072 0.000 1.223 1365 L CA 0.358 55.262 54.840 0.106 0.000 0.864 1365 L CB 0.027 42.151 42.059 0.108 0.000 1.118 1365 L HN 0.103 nan 8.230 nan 0.000 0.494 1366 K N 3.567 123.976 120.400 0.015 0.000 2.290 1366 K HA 0.531 4.862 4.320 0.018 0.000 0.250 1366 K C -0.950 175.645 176.600 -0.008 0.000 1.092 1366 K CA -0.317 55.956 56.287 -0.023 0.000 1.006 1366 K CB 0.254 32.714 32.500 -0.066 0.000 1.549 1366 K HN 0.392 nan 8.250 nan 0.000 0.436 1367 I N 2.518 123.097 120.570 0.015 0.000 2.336 1367 I HA 0.084 4.265 4.170 0.018 0.000 0.292 1367 I C 0.777 176.904 176.117 0.017 0.000 0.991 1367 I CA -0.439 60.894 61.300 0.055 0.000 1.227 1367 I CB 2.009 40.116 38.000 0.178 0.000 1.366 1367 I HN 0.745 nan 8.210 nan 0.000 0.466 1368 S N 2.907 118.612 115.700 0.007 0.000 2.603 1368 S HA 0.305 4.786 4.470 0.018 0.000 0.232 1368 S C -0.021 174.569 174.600 -0.015 0.000 1.016 1368 S CA -0.413 57.778 58.200 -0.016 0.000 0.976 1368 S CB -0.468 62.716 63.200 -0.027 0.000 0.921 1368 S HN 0.792 nan 8.310 nan 0.000 0.516 1369 N N 0.273 118.975 118.700 0.005 0.000 2.591 1369 N HA 0.418 5.169 4.740 0.018 0.000 0.263 1369 N C 0.211 175.725 175.510 0.006 0.000 1.308 1369 N CA -0.881 52.161 53.050 -0.013 0.000 0.837 1369 N CB 0.583 39.055 38.487 -0.026 0.000 1.548 1369 N HN 0.007 nan 8.380 nan 0.000 0.493 1370 L N -1.450 119.746 121.223 -0.046 0.000 2.275 1370 L HA 0.205 4.556 4.340 0.018 0.000 0.215 1370 L C 1.181 178.019 176.870 -0.053 0.000 1.119 1370 L CA 1.386 56.178 54.840 -0.080 0.000 0.790 1370 L CB -1.499 40.439 42.059 -0.203 0.000 0.919 1370 L HN 0.778 nan 8.230 nan 0.000 0.443 1371 N N 1.011 119.676 118.700 -0.057 0.000 2.120 1371 N HA -0.207 4.544 4.740 0.018 0.000 0.188 1371 N C 1.645 177.139 175.510 -0.026 0.000 1.024 1371 N CA 1.810 54.829 53.050 -0.051 0.000 0.852 1371 N CB 0.105 38.563 38.487 -0.048 0.000 1.003 1371 N HN 0.666 nan 8.380 nan 0.000 0.424 1372 E N -0.329 119.870 120.200 -0.002 0.000 2.077 1372 E HA -0.193 4.168 4.350 0.018 0.000 0.193 1372 E C 1.804 178.407 176.600 0.005 0.000 0.989 1372 E CA 0.806 57.201 56.400 -0.008 0.000 0.800 1372 E CB -0.374 29.329 29.700 0.005 0.000 0.746 1372 E HN 0.347 nan 8.360 nan 0.000 0.452 1373 F N 2.127 122.063 119.950 -0.024 0.000 2.134 1373 F HA -0.165 4.373 4.527 0.018 0.000 0.299 1373 F C 2.085 177.930 175.800 0.074 0.000 1.097 1373 F CA 1.560 59.620 58.000 0.100 0.000 1.264 1373 F CB 0.129 39.180 39.000 0.085 0.000 1.001 1373 F HN -0.215 nan 8.300 nan 0.000 0.479 1374 K N 0.089 120.540 120.400 0.086 0.000 2.097 1374 K HA -0.097 4.234 4.320 0.018 0.000 0.205 1374 K C 2.124 178.624 176.600 -0.166 0.000 1.050 1374 K CA 1.205 57.472 56.287 -0.033 0.000 0.938 1374 K CB -0.257 32.166 32.500 -0.129 0.000 0.718 1374 K HN 0.322 nan 8.250 nan 0.000 0.442 1375 L N 0.766 121.898 121.223 -0.151 0.000 2.083 1375 L HA -0.206 4.145 4.340 0.018 0.000 0.209 1375 L C 2.198 178.885 176.870 -0.306 0.000 1.083 1375 L CA 1.321 56.055 54.840 -0.176 0.000 0.752 1375 L CB -0.361 41.623 42.059 -0.125 0.000 0.899 1375 L HN 0.252 nan 8.230 nan 0.000 0.433 1376 L N -1.943 118.986 121.223 -0.489 0.000 2.131 1376 L HA -0.139 4.212 4.340 0.018 0.000 0.206 1376 L C 1.780 177.866 176.870 -1.306 0.000 1.087 1376 L CA 1.207 55.463 54.840 -0.973 0.000 0.767 1376 L CB -0.140 41.156 42.059 -1.272 0.000 0.917 1376 L HN 0.150 nan 8.230 nan 0.000 0.441 1377 F N -2.206 117.357 119.950 -0.646 0.000 2.784 1377 F HA 0.181 4.719 4.527 0.018 0.000 0.323 1377 F C 0.386 175.994 175.800 -0.319 0.000 1.085 1377 F CA -0.974 56.679 58.000 -0.579 0.000 1.196 1377 F CB 0.139 38.630 39.000 -0.849 0.000 1.053 1377 F HN -0.174 nan 8.300 nan 0.000 0.578 1378 D N 1.236 121.475 120.400 -0.267 0.000 2.425 1378 D HA 0.127 4.779 4.640 0.018 0.000 0.247 1378 D C 0.208 176.098 176.300 -0.683 0.000 1.147 1378 D CA 0.563 54.198 54.000 -0.608 0.000 0.879 1378 D CB 0.042 40.219 40.800 -1.037 0.000 1.179 1378 D HN 0.061 nan 8.370 nan 0.000 0.456 1379 F N -0.595 119.285 119.950 -0.117 0.000 3.080 1379 F HA -0.207 4.331 4.527 0.018 0.000 0.292 1379 F C -0.226 175.352 175.800 -0.371 0.000 0.891 1379 F CA -0.321 57.517 58.000 -0.269 0.000 1.086 1379 F CB -2.444 36.614 39.000 0.097 0.000 1.095 1379 F HN 0.433 nan 8.300 nan 0.000 0.633 1380 W N 0.850 121.758 121.300 -0.653 0.000 2.554 1380 W HA 0.635 5.306 4.660 0.019 0.000 0.324 1380 W C -0.500 175.752 176.519 -0.445 0.000 1.018 1380 W CA -0.955 56.160 57.345 -0.383 0.000 1.243 1380 W CB 0.602 29.936 29.460 -0.210 0.000 1.345 1380 W HN 0.114 nan 8.180 nan 0.000 0.441 1381 Y N 4.332 124.520 120.300 -0.187 0.000 2.481 1381 Y HA 0.257 4.818 4.550 0.019 0.000 0.247 1381 Y C 1.928 177.606 175.900 -0.370 0.000 1.151 1381 Y CA 0.455 58.460 58.100 -0.158 0.000 1.238 1381 Y CB -0.225 38.189 38.460 -0.076 0.000 1.179 1381 Y HN 0.603 nan 8.280 nan 0.000 0.524 1382 A N 0.563 122.924 122.820 -0.764 0.000 1.917 1382 A HA -0.099 4.232 4.320 0.018 0.000 0.219 1382 A C 0.774 178.208 177.584 -0.249 0.000 1.182 1382 A CA 1.302 52.988 52.037 -0.585 0.000 0.633 1382 A CB -0.598 17.918 19.000 -0.807 0.000 0.819 1382 A HN 0.349 nan 8.150 nan 0.000 0.448 1383 L N -0.125 121.061 121.223 -0.062 0.000 2.362 1383 L HA 0.331 4.682 4.340 0.018 0.000 0.271 1383 L C -0.243 176.760 176.870 0.222 0.000 1.002 1383 L CA -1.135 53.808 54.840 0.171 0.000 0.818 1383 L CB 1.835 44.128 42.059 0.390 0.000 1.298 1383 L HN 0.473 nan 8.230 nan 0.000 0.420 1384 N N 2.111 120.902 118.700 0.152 0.000 2.364 1384 N HA 0.322 5.073 4.740 0.018 0.000 0.264 1384 N C -2.326 173.278 175.510 0.156 0.000 1.263 1384 N CA -1.619 51.527 53.050 0.160 0.000 0.959 1384 N CB -0.075 38.484 38.487 0.120 0.000 1.204 1384 N HN 0.163 nan 8.380 nan 0.000 0.550 1385 P HA -0.041 nan 4.420 nan 0.000 0.218 1385 P C 0.775 178.109 177.300 0.056 0.000 1.149 1385 P CA 1.966 65.109 63.100 0.072 0.000 0.817 1385 P CB -0.064 31.656 31.700 0.034 0.000 0.785 1386 A N -0.525 122.335 122.820 0.067 0.000 1.929 1386 A HA -0.194 4.137 4.320 0.018 0.000 0.216 1386 A C 2.229 179.869 177.584 0.094 0.000 1.176 1386 A CA 1.252 53.323 52.037 0.058 0.000 0.628 1386 A CB -1.140 17.894 19.000 0.056 0.000 0.816 1386 A HN 0.142 nan 8.150 nan 0.000 0.444 1387 Q N -0.390 119.500 119.800 0.149 0.000 2.084 1387 Q HA -0.099 4.252 4.340 0.018 0.000 0.202 1387 Q C 1.976 178.108 176.000 0.220 0.000 0.978 1387 Q CA 1.617 57.577 55.803 0.261 0.000 0.844 1387 Q CB -0.301 28.632 28.738 0.325 0.000 0.898 1387 Q HN 0.742 nan 8.270 nan 0.000 0.426 1388 I N 0.345 121.004 120.570 0.149 0.000 2.252 1388 I HA -0.280 3.902 4.170 0.018 0.000 0.245 1388 I C 2.661 178.794 176.117 0.026 0.000 1.102 1388 I CA 1.040 62.379 61.300 0.064 0.000 1.385 1388 I CB -0.350 37.611 38.000 -0.064 0.000 1.064 1388 I HN 0.307 nan 8.210 nan 0.000 0.414 1389 Q N 1.287 121.099 119.800 0.020 0.000 2.096 1389 Q HA -0.260 4.091 4.340 0.018 0.000 0.204 1389 Q C 2.361 178.368 176.000 0.011 0.000 0.982 1389 Q CA 2.110 57.910 55.803 -0.005 0.000 0.850 1389 Q CB -0.119 28.608 28.738 -0.017 0.000 0.901 1389 Q HN 0.553 nan 8.270 nan 0.000 0.422 1390 A N 0.586 123.426 122.820 0.033 0.000 1.948 1390 A HA -0.201 4.130 4.320 0.018 0.000 0.220 1390 A C 1.948 179.537 177.584 0.009 0.000 1.177 1390 A CA 1.502 53.549 52.037 0.015 0.000 0.636 1390 A CB -0.607 18.404 19.000 0.018 0.000 0.815 1390 A HN 0.474 nan 8.150 nan 0.000 0.449 1391 I N -0.577 120.017 120.570 0.040 0.000 2.286 1391 I HA -0.190 3.991 4.170 0.018 0.000 0.245 1391 I C 2.222 178.387 176.117 0.080 0.000 1.104 1391 I CA 0.920 62.252 61.300 0.053 0.000 1.397 1391 I CB -0.199 37.867 38.000 0.110 0.000 1.072 1391 I HN 0.265 nan 8.210 nan 0.000 0.417 1392 L N -0.055 121.210 121.223 0.069 0.000 2.217 1392 L HA -0.147 4.204 4.340 0.018 0.000 0.211 1392 L C 2.366 179.281 176.870 0.074 0.000 1.107 1392 L CA 0.927 55.817 54.840 0.083 0.000 0.783 1392 L CB -0.461 41.598 42.059 -0.001 0.000 0.919 1392 L HN 0.270 nan 8.230 nan 0.000 0.442 1393 L N -0.155 121.086 121.223 0.030 0.000 2.275 1393 L HA -0.170 4.181 4.340 0.018 0.000 0.215 1393 L C 2.150 179.036 176.870 0.028 0.000 1.119 1393 L CA 1.170 56.021 54.840 0.018 0.000 0.790 1393 L CB -0.323 41.733 42.059 -0.005 0.000 0.919 1393 L HN 0.212 nan 8.230 nan 0.000 0.443 1394 K N -0.947 119.467 120.400 0.024 0.000 2.487 1394 K HA -0.050 4.281 4.320 0.018 0.000 0.192 1394 K C 0.046 176.640 176.600 -0.010 0.000 1.027 1394 K CA -0.055 56.220 56.287 -0.019 0.000 1.054 1394 K CB 0.075 32.536 32.500 -0.065 0.000 0.824 1394 K HN 0.101 nan 8.250 nan 0.000 0.510 1395 Y N 3.343 123.626 120.300 -0.028 0.000 2.587 1395 Y HA -0.041 4.520 4.550 0.018 0.000 0.344 1395 Y C -0.414 175.483 175.900 -0.005 0.000 1.061 1395 Y CA 0.040 58.136 58.100 -0.007 0.000 1.370 1395 Y CB 0.221 38.693 38.460 0.021 0.000 1.163 1395 Y HN -0.108 nan 8.280 nan 0.000 0.527 1396 K N 7.450 127.736 120.400 -0.191 0.000 2.426 1396 K HA 0.480 4.811 4.320 0.018 0.000 0.254 1396 K C -2.994 173.559 176.600 -0.079 0.000 0.936 1396 K CA -2.142 54.124 56.287 -0.034 0.000 0.801 1396 K CB 1.832 34.294 32.500 -0.063 0.000 1.139 1396 K HN 0.340 nan 8.250 nan 0.000 0.424 1397 P HA -0.013 nan 4.420 nan 0.000 0.271 1397 P C -0.558 176.774 177.300 0.054 0.000 1.244 1397 P CA -0.228 62.970 63.100 0.163 0.000 0.793 1397 P CB 0.515 32.336 31.700 0.201 0.000 0.984 1405 V N 3.109 122.932 119.914 -0.152 0.000 2.585 1405 V HA 0.295 4.426 4.120 0.018 0.000 0.296 1405 V C -1.541 174.487 176.094 -0.110 0.000 1.035 1405 V CA -0.546 61.653 62.300 -0.168 0.000 1.084 1405 V CB 0.764 32.492 31.823 -0.158 0.000 0.953 1405 V HN 0.536 nan 8.190 nan 0.000 0.483 1406 P HA 0.162 nan 4.420 nan 0.000 0.268 1406 P C 0.431 177.672 177.300 -0.097 0.000 1.204 1406 P CA -0.009 63.038 63.100 -0.089 0.000 0.768 1406 P CB 0.433 32.082 31.700 -0.085 0.000 0.842 1407 N N 1.426 120.084 118.700 -0.070 0.000 2.137 1407 N HA -0.224 4.527 4.740 0.018 0.000 0.190 1407 N C 1.626 177.093 175.510 -0.072 0.000 1.017 1407 N CA 0.920 53.932 53.050 -0.064 0.000 0.859 1407 N CB -0.181 38.280 38.487 -0.043 0.000 1.002 1407 N HN 0.627 nan 8.380 nan 0.000 0.428 1408 E N 0.774 120.931 120.200 -0.072 0.000 2.130 1408 E HA -0.201 4.160 4.350 0.018 0.000 0.196 1408 E C 1.757 178.294 176.600 -0.105 0.000 0.998 1408 E CA 0.952 57.309 56.400 -0.072 0.000 0.806 1408 E CB 0.015 29.673 29.700 -0.070 0.000 0.738 1408 E HN 0.419 nan 8.360 nan 0.000 0.459 1409 I N 0.483 120.945 120.570 -0.180 0.000 2.286 1409 I HA -0.250 3.931 4.170 0.018 0.000 0.245 1409 I C 2.311 178.243 176.117 -0.308 0.000 1.104 1409 I CA 0.527 61.622 61.300 -0.342 0.000 1.397 1409 I CB -0.062 37.632 38.000 -0.511 0.000 1.072 1409 I HN 0.149 nan 8.210 nan 0.000 0.417 1410 L N 0.295 121.395 121.223 -0.206 0.000 2.042 1410 L HA -0.284 4.067 4.340 0.018 0.000 0.210 1410 L C 2.423 179.230 176.870 -0.105 0.000 1.076 1410 L CA 1.517 56.270 54.840 -0.147 0.000 0.749 1410 L CB -0.851 41.150 42.059 -0.098 0.000 0.893 1410 L HN 0.413 nan 8.230 nan 0.000 0.432 1411 N N -0.352 118.305 118.700 -0.070 0.000 2.039 1411 N HA -0.279 4.472 4.740 0.018 0.000 0.193 1411 N C 2.077 177.587 175.510 0.000 0.000 1.044 1411 N CA 1.779 54.812 53.050 -0.030 0.000 0.847 1411 N CB -0.173 38.306 38.487 -0.012 0.000 1.030 1411 N HN 0.229 nan 8.380 nan 0.000 0.422 1412 Y N 2.043 122.273 120.300 -0.116 0.000 2.114 1412 Y HA -0.183 4.378 4.550 0.019 0.000 0.282 1412 Y C 2.397 178.251 175.900 -0.076 0.000 1.165 1412 Y CA 1.415 59.460 58.100 -0.092 0.000 1.148 1412 Y CB -0.695 37.693 38.460 -0.119 0.000 0.972 1412 Y HN 0.083 nan 8.280 nan 0.000 0.504 1413 L N -0.421 120.651 121.223 -0.253 0.000 2.013 1413 L HA -0.315 4.036 4.340 0.018 0.000 0.212 1413 L C 2.819 179.573 176.870 -0.193 0.000 1.073 1413 L CA 1.412 56.097 54.840 -0.259 0.000 0.753 1413 L CB -1.131 40.824 42.059 -0.172 0.000 0.890 1413 L HN 0.367 nan 8.230 nan 0.000 0.432 1414 A N 0.349 123.092 122.820 -0.129 0.000 1.884 1414 A HA -0.324 4.007 4.320 0.018 0.000 0.219 1414 A C 2.001 179.531 177.584 -0.089 0.000 1.197 1414 A CA 2.653 54.640 52.037 -0.083 0.000 0.637 1414 A CB -1.061 17.906 19.000 -0.056 0.000 0.827 1414 A HN 0.547 nan 8.150 nan 0.000 0.450 1415 N N -0.663 117.975 118.700 -0.103 0.000 2.149 1415 N HA -0.105 4.646 4.740 0.018 0.000 0.188 1415 N C 1.529 176.967 175.510 -0.120 0.000 1.019 1415 N CA 1.347 54.345 53.050 -0.087 0.000 0.857 1415 N CB -0.216 38.242 38.487 -0.048 0.000 0.997 1415 N HN 0.277 nan 8.380 nan 0.000 0.426 1416 V N 1.193 120.962 119.914 -0.242 0.000 2.261 1416 V HA -0.217 3.914 4.120 0.018 0.000 0.246 1416 V C 2.016 178.050 176.094 -0.099 0.000 1.047 1416 V CA 1.469 63.638 62.300 -0.219 0.000 1.015 1416 V CB -0.487 31.105 31.823 -0.385 0.000 0.642 1416 V HN 0.300 nan 8.190 nan 0.000 0.446 1417 I N 0.146 120.661 120.570 -0.090 0.000 2.151 1417 I HA -0.347 3.834 4.170 0.018 0.000 0.243 1417 I C 2.580 178.685 176.117 -0.021 0.000 1.080 1417 I CA 2.274 63.552 61.300 -0.037 0.000 1.339 1417 I CB -0.493 37.487 38.000 -0.032 0.000 1.039 1417 I HN 0.323 nan 8.210 nan 0.000 0.409 1418 K N 1.205 121.587 120.400 -0.030 0.000 2.057 1418 K HA -0.220 4.111 4.320 0.018 0.000 0.206 1418 K C 2.364 178.962 176.600 -0.003 0.000 1.050 1418 K CA 1.297 57.576 56.287 -0.014 0.000 0.935 1418 K CB -0.079 32.412 32.500 -0.016 0.000 0.715 1418 K HN 0.050 nan 8.250 nan 0.000 0.439 1419 R N 1.114 121.610 120.500 -0.006 0.000 2.094 1419 R HA -0.217 4.134 4.340 0.018 0.000 0.239 1419 R C 2.189 178.502 176.300 0.022 0.000 1.137 1419 R CA 2.313 58.419 56.100 0.011 0.000 0.943 1419 R CB -0.246 30.062 30.300 0.013 0.000 0.850 1419 R HN 0.325 nan 8.270 nan 0.000 0.433 1420 E N -0.073 120.140 120.200 0.022 0.000 2.150 1420 E HA -0.207 4.154 4.350 0.018 0.000 0.193 1420 E C 1.711 178.328 176.600 0.027 0.000 0.985 1420 E CA 1.297 57.718 56.400 0.034 0.000 0.814 1420 E CB -0.213 29.514 29.700 0.045 0.000 0.752 1420 E HN 0.319 nan 8.360 nan 0.000 0.466 1421 N N 0.392 119.103 118.700 0.018 0.000 2.104 1421 N HA -0.180 4.571 4.740 0.018 0.000 0.190 1421 N C 1.745 177.265 175.510 0.016 0.000 1.024 1421 N CA 1.280 54.339 53.050 0.015 0.000 0.853 1421 N CB -0.106 38.386 38.487 0.009 0.000 1.008 1421 N HN 0.282 nan 8.380 nan 0.000 0.424 1422 L N 0.048 121.281 121.223 0.016 0.000 2.156 1422 L HA -0.015 4.336 4.340 0.018 0.000 0.208 1422 L C 2.311 179.193 176.870 0.020 0.000 1.095 1422 L CA 0.631 55.481 54.840 0.017 0.000 0.770 1422 L CB -0.191 41.879 42.059 0.017 0.000 0.914 1422 L HN 0.079 nan 8.230 nan 0.000 0.439 1423 S N -0.452 115.264 115.700 0.025 0.000 2.388 1423 S HA 0.176 4.657 4.470 0.018 0.000 0.223 1423 S C 0.817 175.432 174.600 0.025 0.000 1.034 1423 S CA 0.441 58.657 58.200 0.028 0.000 0.963 1423 S CB 0.066 63.289 63.200 0.037 0.000 0.827 1423 S HN 0.108 nan 8.310 nan 0.000 0.481 1424 L N 1.771 123.009 121.223 0.026 0.000 2.330 1424 L HA 0.389 4.740 4.340 0.018 0.000 0.271 1424 L C -1.633 175.248 176.870 0.018 0.000 1.013 1424 L CA -1.909 52.944 54.840 0.022 0.000 0.816 1424 L CB 0.986 43.061 42.059 0.027 0.000 1.287 1424 L HN -0.068 nan 8.230 nan 0.000 0.435 1425 P HA 0.061 nan 4.420 nan 0.000 0.235 1425 P C 0.443 177.750 177.300 0.011 0.000 1.177 1425 P CA 0.292 63.399 63.100 0.012 0.000 0.785 1425 P CB 0.459 32.165 31.700 0.009 0.000 0.885 1426 G N 0.551 109.359 108.800 0.013 0.000 2.389 1426 G HA2 0.296 4.267 3.960 0.018 0.000 0.317 1426 G HA3 0.296 4.267 3.960 0.018 0.000 0.317 1426 G C -0.751 174.158 174.900 0.015 0.000 1.137 1426 G CA -0.557 44.550 45.100 0.012 0.000 0.870 1426 G HN 0.023 nan 8.290 nan 0.000 0.496 1427 K N 1.623 122.031 120.400 0.014 0.000 2.451 1427 K HA 0.079 4.410 4.320 0.018 0.000 0.280 1427 K C 0.447 177.060 176.600 0.022 0.000 1.020 1427 K CA -0.127 56.170 56.287 0.016 0.000 1.008 1427 K CB 0.318 32.826 32.500 0.013 0.000 0.917 1427 K HN 0.479 nan 8.250 nan 0.000 0.478 1428 M N 5.974 125.590 119.600 0.027 0.000 2.497 1428 M HA 0.071 4.562 4.480 0.018 0.000 0.336 1428 M C -0.652 175.672 176.300 0.040 0.000 1.378 1428 M CA -0.275 55.047 55.300 0.037 0.000 1.375 1428 M CB 0.296 32.922 32.600 0.042 0.000 1.337 1428 M HN 0.510 nan 8.290 nan 0.000 0.461 1429 E N 4.574 124.797 120.200 0.038 0.000 2.376 1429 E HA 0.043 4.404 4.350 0.018 0.000 0.266 1429 E C 0.703 177.345 176.600 0.070 0.000 1.009 1429 E CA 0.146 56.572 56.400 0.043 0.000 0.902 1429 E CB 1.304 31.023 29.700 0.031 0.000 0.972 1429 E HN 0.797 nan 8.360 nan 0.000 0.439 1430 I N 1.335 121.956 120.570 0.085 0.000 2.339 1430 I HA -0.097 4.084 4.170 0.018 0.000 0.245 1430 I C 1.223 177.469 176.117 0.215 0.000 1.096 1430 I CA 0.544 61.930 61.300 0.143 0.000 1.408 1430 I CB -0.023 38.043 38.000 0.109 0.000 1.092 1430 I HN 0.307 nan 8.210 nan 0.000 0.423 1431 M N 2.073 121.755 119.600 0.136 0.000 2.252 1431 M HA 0.138 4.629 4.480 0.018 0.000 0.333 1431 M C -0.148 176.223 176.300 0.117 0.000 1.111 1431 M CA 0.671 56.056 55.300 0.141 0.000 1.140 1431 M CB 0.297 32.932 32.600 0.058 0.000 1.538 1431 M HN 0.043 nan 8.290 nan 0.000 0.448 1432 L N 0.950 122.248 121.223 0.124 0.000 2.416 1432 L HA 0.477 4.828 4.340 0.018 0.000 0.262 1432 L C 0.391 177.245 176.870 -0.026 0.000 1.093 1432 L CA -0.511 54.336 54.840 0.012 0.000 0.801 1432 L CB 1.377 43.418 42.059 -0.029 0.000 1.191 1432 L HN 0.677 nan 8.230 nan 0.000 0.459 1433 S N -0.106 115.554 115.700 -0.066 0.000 2.566 1433 S HA 0.701 5.183 4.470 0.018 0.000 0.298 1433 S C -0.437 174.071 174.600 -0.154 0.000 1.083 1433 S CA -0.733 57.410 58.200 -0.095 0.000 0.978 1433 S CB 1.944 65.096 63.200 -0.080 0.000 1.073 1433 S HN 0.678 nan 8.310 nan 0.000 0.491 1434 A N 2.398 125.098 122.820 -0.200 0.000 2.366 1434 A HA 0.610 4.941 4.320 0.018 0.000 0.272 1434 A C -0.332 176.926 177.584 -0.543 0.000 1.135 1434 A CA -0.346 51.486 52.037 -0.340 0.000 0.804 1434 A CB 0.212 19.079 19.000 -0.222 0.000 1.064 1434 A HN 0.619 nan 8.150 nan 0.000 0.499 1435 Q N 1.386 120.792 119.800 -0.655 0.000 2.315 1435 Q HA 0.555 4.906 4.340 0.018 0.000 0.273 1435 Q C -1.750 173.945 176.000 -0.507 0.000 1.053 1435 Q CA -0.163 55.314 55.803 -0.544 0.000 0.817 1435 Q CB 2.186 30.800 28.738 -0.207 0.000 1.326 1435 Q HN 0.625 nan 8.270 nan 0.000 0.423 1436 F N 0.044 120.077 119.950 0.139 0.000 2.561 1436 F HA 0.370 4.908 4.527 0.017 0.000 0.321 1436 F C 0.543 176.431 175.800 0.148 0.000 1.065 1436 F CA -1.061 57.042 58.000 0.170 0.000 0.934 1436 F CB 0.948 40.116 39.000 0.281 0.000 1.215 1436 F HN 0.257 nan 8.300 nan 0.000 0.471 1437 D N 0.112 120.695 120.400 0.305 0.000 2.378 1437 D HA 0.031 4.682 4.640 0.018 0.000 0.238 1437 D C 0.163 176.594 176.300 0.218 0.000 1.180 1437 D CA 0.097 54.224 54.000 0.212 0.000 0.895 1437 D CB 0.751 41.653 40.800 0.170 0.000 1.192 1437 D HN 0.416 nan 8.370 nan 0.000 0.438 1438 S N -0.217 115.592 115.700 0.183 0.000 2.563 1438 S HA 0.183 4.664 4.470 0.018 0.000 0.284 1438 S C 1.059 175.765 174.600 0.177 0.000 1.331 1438 S CA -0.157 58.150 58.200 0.177 0.000 1.047 1438 S CB 0.628 63.914 63.200 0.144 0.000 0.859 1438 S HN 0.434 nan 8.310 nan 0.000 0.514 1439 A N 4.233 127.149 122.820 0.161 0.000 2.239 1439 A HA 0.033 4.364 4.320 0.018 0.000 0.209 1439 A C 1.934 179.603 177.584 0.142 0.000 1.171 1439 A CA 1.130 53.247 52.037 0.133 0.000 0.768 1439 A CB -0.523 18.523 19.000 0.076 0.000 0.790 1439 A HN 0.997 nan 8.150 nan 0.000 0.478 1440 K N 0.685 121.158 120.400 0.123 0.000 2.066 1440 K HA -0.268 4.064 4.320 0.018 0.000 0.221 1440 K C 0.828 177.430 176.600 0.003 0.000 1.056 1440 K CA 2.221 58.542 56.287 0.057 0.000 0.950 1440 K CB -0.238 32.297 32.500 0.059 0.000 0.726 1440 K HN 0.526 nan 8.250 nan 0.000 0.456 1441 N N -0.138 118.549 118.700 -0.021 0.000 2.383 1441 N HA -0.025 4.726 4.740 0.018 0.000 0.192 1441 N C -0.037 175.228 175.510 -0.409 0.000 1.141 1441 N CA 0.560 53.474 53.050 -0.228 0.000 0.851 1441 N CB 0.306 38.598 38.487 -0.325 0.000 0.976 1441 N HN 0.408 nan 8.380 nan 0.000 0.465 1442 H N -0.634 118.413 119.070 -0.037 0.000 2.581 1442 H HA 0.340 4.906 4.556 0.018 0.000 0.275 1442 H C 0.414 175.692 175.328 -0.084 0.000 1.126 1442 H CA -0.046 55.976 56.048 -0.043 0.000 1.097 1442 H CB 0.538 30.284 29.762 -0.027 0.000 1.626 1442 H HN -0.045 nan 8.280 nan 0.000 0.565 1443 L N 1.443 122.639 121.223 -0.045 0.000 3.096 1443 L HA 0.342 4.693 4.340 0.018 0.000 0.247 1443 L C 0.200 177.023 176.870 -0.079 0.000 1.321 1443 L CA -0.167 54.611 54.840 -0.104 0.000 1.044 1443 L CB -0.008 41.941 42.059 -0.184 0.000 1.434 1443 L HN 0.172 nan 8.230 nan 0.000 0.533 1444 R N 0.000 120.468 120.500 -0.054 0.000 2.786 1444 R HA 0.000 4.351 4.340 0.018 0.000 0.208 1444 R CA 0.000 56.074 56.100 -0.043 0.000 0.921 1444 R CB 0.000 30.277 30.300 -0.039 0.000 0.687 1444 R HN 0.000 nan 8.270 nan 0.000 0.535