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 2rfn_1_A DATA FIRST_RESID 1057 DATA SEQUENCE ALNPELVQAV QHVVIGPSSL IVHFNEVIXX XXFGCVYHGT LLDNDGKKIH DATA SEQUENCE CAVKSLNRIT DIGEVSQFLT EGIIMKDFSH PNVLSLLGIC LRSEGSPLVV DATA SEQUENCE LPYMKHGDLR NFIRNETHNP TVKDLIGFGL QVAKGMKYLA SKKFVHRDLA DATA SEQUENCE ARNCMLDEKF TVKVADXXXX XXXXXXXXXX XXXXXXXXXP VKWMALESLQ DATA SEQUENCE TQKFTTKSDV WSFGVLLWEL MTRGAPPYPD VNTFDITVYL LQGRRLLQPE DATA SEQUENCE YCPDPLYEVM LKCWHPKAEM RPSFSELVSR ISAIFSTFIG EHYVH 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 1057 A HA 0.000 nan 4.320 nan 0.000 0.244 1057 A C 0.000 177.589 177.584 0.008 0.000 1.274 1057 A CA 0.000 52.041 52.037 0.006 0.000 0.836 1057 A CB 0.000 19.003 19.000 0.005 0.000 0.831 1058 L N 0.740 121.970 121.223 0.011 0.000 2.468 1058 L HA 0.179 4.519 4.340 -0.000 0.000 0.253 1058 L C 0.899 177.775 176.870 0.010 0.000 1.237 1058 L CA 0.240 55.087 54.840 0.013 0.000 0.823 1058 L CB -0.492 41.577 42.059 0.017 0.000 1.124 1058 L HN 0.599 nan 8.230 nan 0.000 0.504 1059 N N 1.795 120.501 118.700 0.010 0.000 2.452 1059 N HA 0.041 4.781 4.740 -0.000 0.000 0.266 1059 N C -1.581 173.934 175.510 0.008 0.000 1.209 1059 N CA -0.766 52.289 53.050 0.009 0.000 0.929 1059 N CB 0.825 39.318 38.487 0.009 0.000 1.063 1059 N HN 0.273 nan 8.380 nan 0.000 0.472 1060 P HA -0.217 nan 4.420 nan 0.000 0.216 1060 P C 0.326 177.630 177.300 0.008 0.000 1.154 1060 P CA 1.639 64.743 63.100 0.007 0.000 0.865 1060 P CB 0.217 31.921 31.700 0.006 0.000 0.789 1061 E N -0.888 119.317 120.200 0.008 0.000 2.150 1061 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 1061 E C 1.983 178.588 176.600 0.009 0.000 0.985 1061 E CA 0.477 56.883 56.400 0.009 0.000 0.814 1061 E CB -0.847 28.858 29.700 0.008 0.000 0.752 1061 E HN 0.107 nan 8.360 nan 0.000 0.466 1062 L N 0.067 121.295 121.223 0.007 0.000 2.072 1062 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 1062 L C 1.993 178.862 176.870 -0.001 0.000 1.079 1062 L CA 1.234 56.076 54.840 0.004 0.000 0.752 1062 L CB -0.298 41.764 42.059 0.005 0.000 0.906 1062 L HN 0.003 nan 8.230 nan 0.000 0.436 1063 V N -0.170 119.745 119.914 0.002 0.000 2.343 1063 V HA -0.346 3.774 4.120 -0.000 0.000 0.247 1063 V C 3.047 179.141 176.094 -0.000 0.000 1.051 1063 V CA 2.174 64.474 62.300 -0.001 0.000 1.036 1063 V CB -1.358 30.467 31.823 0.004 0.000 0.654 1063 V HN 0.696 nan 8.190 nan 0.000 0.451 1064 Q N -0.545 119.261 119.800 0.009 0.000 2.167 1064 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 1064 Q C 2.218 178.240 176.000 0.037 0.000 0.970 1064 Q CA 1.955 57.770 55.803 0.019 0.000 0.855 1064 Q CB -0.950 27.799 28.738 0.019 0.000 0.911 1064 Q HN 0.743 nan 8.270 nan 0.000 0.438 1065 A N -0.191 122.648 122.820 0.032 0.000 2.066 1065 A HA 0.161 4.481 4.320 -0.000 0.000 0.218 1065 A C 2.329 179.938 177.584 0.042 0.000 1.157 1065 A CA 1.544 53.618 52.037 0.063 0.000 0.670 1065 A CB 0.019 19.042 19.000 0.039 0.000 0.804 1065 A HN 0.522 nan 8.150 nan 0.000 0.453 1066 V N -0.632 119.251 119.914 -0.051 0.000 3.174 1066 V HA -0.100 4.020 4.120 -0.000 0.000 0.254 1066 V C 2.323 178.280 176.094 -0.229 0.000 1.120 1066 V CA 0.920 63.107 62.300 -0.188 0.000 1.114 1066 V CB -0.328 31.421 31.823 -0.124 0.000 0.756 1066 V HN 0.433 nan 8.190 nan 0.000 0.467 1067 Q N 0.974 120.727 119.800 -0.079 0.000 2.197 1067 Q HA -0.247 4.092 4.340 -0.000 0.000 0.211 1067 Q C 2.181 178.154 176.000 -0.045 0.000 0.993 1067 Q CA 2.172 57.951 55.803 -0.040 0.000 0.883 1067 Q CB -0.630 28.117 28.738 0.016 0.000 0.916 1067 Q HN 0.952 nan 8.270 nan 0.000 0.418 1068 H N -1.400 117.654 119.070 -0.028 0.000 2.545 1068 H HA 0.030 4.586 4.556 -0.000 0.000 0.282 1068 H C 1.459 176.762 175.328 -0.041 0.000 1.020 1068 H CA 1.131 57.160 56.048 -0.032 0.000 1.243 1068 H CB -0.007 29.734 29.762 -0.034 0.000 1.377 1068 H HN 0.052 nan 8.280 nan 0.000 0.581 1069 V N 1.163 120.804 119.914 -0.455 0.000 3.471 1069 V HA 0.041 4.161 4.120 -0.000 0.000 0.258 1069 V C 1.014 177.012 176.094 -0.160 0.000 1.192 1069 V CA 0.114 62.228 62.300 -0.310 0.000 1.116 1069 V CB 0.540 32.120 31.823 -0.405 0.000 0.792 1069 V HN 0.092 nan 8.190 nan 0.000 0.459 1070 V N 1.603 121.443 119.914 -0.123 0.000 2.546 1070 V HA 0.345 4.465 4.120 -0.000 0.000 0.284 1070 V C -0.113 175.965 176.094 -0.026 0.000 1.050 1070 V CA -0.277 61.990 62.300 -0.056 0.000 0.981 1070 V CB 1.588 33.389 31.823 -0.037 0.000 0.990 1070 V HN 0.186 nan 8.190 nan 0.000 0.474 1071 I N 3.461 124.027 120.570 -0.007 0.000 2.321 1071 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 1071 I C 1.112 177.234 176.117 0.009 0.000 0.998 1071 I CA -0.089 61.213 61.300 0.002 0.000 1.227 1071 I CB 1.313 39.318 38.000 0.008 0.000 1.368 1071 I HN 0.769 nan 8.210 nan 0.000 0.466 1072 G N 7.854 116.658 108.800 0.007 0.000 2.299 1072 G HA2 0.124 4.084 3.960 -0.000 0.000 0.256 1072 G HA3 0.124 4.084 3.960 -0.000 0.000 0.256 1072 G C -1.320 173.586 174.900 0.010 0.000 1.259 1072 G CA -0.770 44.335 45.100 0.008 0.000 0.943 1072 G HN 0.493 nan 8.290 nan 0.000 0.479 1073 P HA -0.088 nan 4.420 nan 0.000 0.228 1073 P C 1.718 179.021 177.300 0.006 0.000 1.151 1073 P CA 0.635 63.743 63.100 0.013 0.000 0.770 1073 P CB 0.436 32.148 31.700 0.019 0.000 0.786 1074 S N 0.235 115.937 115.700 0.004 0.000 2.469 1074 S HA -0.058 4.412 4.470 -0.000 0.000 0.238 1074 S C 1.619 176.219 174.600 -0.001 0.000 0.998 1074 S CA 1.396 59.596 58.200 0.000 0.000 0.957 1074 S CB -0.588 62.612 63.200 0.001 0.000 0.764 1074 S HN 0.358 nan 8.310 nan 0.000 0.514 1075 S N -0.151 115.550 115.700 0.001 0.000 2.602 1075 S HA 0.439 4.909 4.470 -0.000 0.000 0.240 1075 S C -0.360 174.241 174.600 0.002 0.000 0.992 1075 S CA -0.675 57.526 58.200 0.002 0.000 0.971 1075 S CB 0.166 63.369 63.200 0.004 0.000 0.855 1075 S HN 0.286 nan 8.310 nan 0.000 0.481 1076 L N 1.151 122.372 121.223 -0.003 0.000 2.386 1076 L HA 0.699 5.039 4.340 -0.000 0.000 0.271 1076 L C -1.411 175.439 176.870 -0.033 0.000 0.993 1076 L CA -0.802 54.032 54.840 -0.008 0.000 0.819 1076 L CB 1.778 43.836 42.059 -0.002 0.000 1.294 1076 L HN 0.248 nan 8.230 nan 0.000 0.414 1077 I N 5.027 125.565 120.570 -0.055 0.000 2.433 1077 I HA 0.492 4.662 4.170 -0.000 0.000 0.292 1077 I C -1.063 174.940 176.117 -0.190 0.000 1.001 1077 I CA -0.906 60.311 61.300 -0.137 0.000 1.119 1077 I CB 2.174 40.072 38.000 -0.170 0.000 1.289 1077 I HN 0.281 nan 8.210 nan 0.000 0.438 1078 V N 5.565 125.292 119.914 -0.312 0.000 2.378 1078 V HA 0.221 4.340 4.120 -0.000 0.000 0.288 1078 V C -0.610 175.154 176.094 -0.550 0.000 1.016 1078 V CA -0.749 61.277 62.300 -0.457 0.000 0.840 1078 V CB 1.172 32.488 31.823 -0.845 0.000 0.994 1078 V HN 0.582 nan 8.190 nan 0.000 0.431 1079 H N 5.156 124.086 119.070 -0.232 0.000 3.045 1079 H HA 0.252 4.807 4.556 -0.000 0.000 0.254 1079 H C 0.684 175.920 175.328 -0.154 0.000 1.747 1079 H CA -0.248 55.733 56.048 -0.111 0.000 1.444 1079 H CB -0.385 29.382 29.762 0.008 0.000 1.778 1079 H HN 0.623 nan 8.280 nan 0.000 0.544 1080 F N 1.028 120.890 119.950 -0.148 0.000 2.373 1080 F HA -0.227 4.300 4.527 -0.000 0.000 0.300 1080 F C 2.103 177.833 175.800 -0.116 0.000 1.080 1080 F CA 0.686 58.436 58.000 -0.417 0.000 1.417 1080 F CB 0.133 38.868 39.000 -0.442 0.000 1.070 1080 F HN 0.596 nan 8.300 nan 0.000 0.546 1081 N N 0.359 119.165 118.700 0.177 0.000 2.336 1081 N HA -0.062 4.678 4.740 -0.000 0.000 0.189 1081 N C -0.418 175.217 175.510 0.208 0.000 1.113 1081 N CA 0.351 53.507 53.050 0.177 0.000 0.858 1081 N CB -0.250 38.311 38.487 0.124 0.000 0.970 1081 N HN 0.259 nan 8.380 nan 0.000 0.471 1082 E N 0.816 121.177 120.200 0.269 0.000 2.121 1082 E HA 0.313 4.663 4.350 -0.000 0.000 0.255 1082 E C -1.009 175.825 176.600 0.390 0.000 0.906 1082 E CA -0.546 56.037 56.400 0.306 0.000 0.745 1082 E CB 1.898 31.773 29.700 0.291 0.000 1.155 1082 E HN -0.043 nan 8.360 nan 0.000 0.424 1083 V N 4.877 124.969 119.914 0.297 0.000 2.607 1083 V HA 0.354 4.474 4.120 -0.000 0.000 0.289 1083 V C 0.444 176.586 176.094 0.082 0.000 1.053 1083 V CA -0.335 62.080 62.300 0.192 0.000 0.996 1083 V CB 0.771 32.685 31.823 0.152 0.000 0.995 1083 V HN 0.525 nan 8.190 nan 0.000 0.476 1090 G N -1.173 107.674 108.800 0.078 0.000 2.762 1090 G HA2 0.049 4.009 3.960 -0.000 0.000 0.209 1090 G HA3 0.049 4.009 3.960 -0.000 0.000 0.209 1090 G C 0.231 175.108 174.900 -0.038 0.000 1.134 1090 G CA 0.423 45.544 45.100 0.036 0.000 0.781 1090 G HN 0.246 nan 8.290 nan 0.000 0.528 1091 C N 2.799 122.060 119.300 -0.065 0.000 2.615 1091 C HA 0.557 5.017 4.460 -0.000 0.000 0.503 1091 C C 0.184 174.884 174.990 -0.484 0.000 1.039 1091 C CA -0.774 58.112 59.018 -0.219 0.000 1.226 1091 C CB -2.019 25.699 27.740 -0.036 0.000 1.447 1091 C HN 0.106 nan 8.230 nan 0.000 0.572 1092 V N 3.784 123.345 119.914 -0.589 0.000 2.487 1092 V HA 0.501 4.621 4.120 -0.000 0.000 0.298 1092 V C -0.692 175.040 176.094 -0.602 0.000 1.028 1092 V CA -0.660 61.336 62.300 -0.506 0.000 0.860 1092 V CB 1.038 32.701 31.823 -0.266 0.000 0.991 1092 V HN 0.531 nan 8.190 nan 0.000 0.427 1093 Y N 1.659 121.928 120.300 -0.051 0.000 2.549 1093 Y HA 0.556 5.106 4.550 -0.000 0.000 0.339 1093 Y C 0.653 176.508 175.900 -0.076 0.000 1.053 1093 Y CA -1.131 56.937 58.100 -0.054 0.000 1.105 1093 Y CB 1.022 39.418 38.460 -0.106 0.000 1.258 1093 Y HN 0.530 nan 8.280 nan 0.000 0.478 1094 H N 0.630 119.832 119.070 0.219 0.000 2.803 1094 H HA 0.396 4.952 4.556 -0.000 0.000 0.330 1094 H C 0.132 175.592 175.328 0.220 0.000 1.057 1094 H CA 0.428 56.584 56.048 0.181 0.000 1.458 1094 H CB 0.915 30.711 29.762 0.055 0.000 1.470 1094 H HN 0.899 nan 8.280 nan 0.000 0.560 1095 G N 1.077 110.071 108.800 0.323 0.000 2.658 1095 G HA2 0.433 4.393 3.960 -0.000 0.000 0.292 1095 G HA3 0.433 4.393 3.960 -0.000 0.000 0.292 1095 G C -1.033 174.022 174.900 0.257 0.000 1.320 1095 G CA -0.573 44.679 45.100 0.253 0.000 0.933 1095 G HN 0.478 nan 8.290 nan 0.000 0.476 1096 T N 0.766 115.425 114.554 0.175 0.000 2.890 1096 T HA 0.451 4.801 4.350 -0.000 0.000 0.295 1096 T C -0.992 173.748 174.700 0.067 0.000 0.993 1096 T CA -0.282 61.895 62.100 0.130 0.000 0.979 1096 T CB 1.409 70.354 68.868 0.129 0.000 0.967 1096 T HN 0.450 nan 8.240 nan 0.000 0.441 1097 L N 4.052 125.309 121.223 0.058 0.000 2.325 1097 L HA 0.770 5.110 4.340 -0.000 0.000 0.278 1097 L C -1.150 175.735 176.870 0.025 0.000 1.023 1097 L CA -1.008 53.852 54.840 0.032 0.000 0.811 1097 L CB 1.318 43.394 42.059 0.027 0.000 1.249 1097 L HN 0.562 nan 8.230 nan 0.000 0.431 1098 L N 4.611 125.843 121.223 0.016 0.000 2.277 1098 L HA 0.498 4.838 4.340 -0.000 0.000 0.284 1098 L C -0.594 176.281 176.870 0.009 0.000 1.028 1098 L CA -0.026 54.821 54.840 0.011 0.000 0.835 1098 L CB 0.440 42.503 42.059 0.007 0.000 1.215 1098 L HN 0.628 nan 8.230 nan 0.000 0.425 1099 D N 2.361 122.767 120.400 0.009 0.000 2.398 1099 D HA 0.172 4.812 4.640 -0.000 0.000 0.247 1099 D C 0.888 177.191 176.300 0.006 0.000 1.227 1099 D CA -0.207 53.797 54.000 0.008 0.000 0.980 1099 D CB 0.648 41.452 40.800 0.007 0.000 1.106 1099 D HN 0.463 nan 8.370 nan 0.000 0.493 1100 N N 0.272 118.975 118.700 0.006 0.000 2.396 1100 N HA -0.101 4.639 4.740 -0.000 0.000 0.180 1100 N C 0.472 175.984 175.510 0.004 0.000 1.028 1100 N CA 0.597 53.651 53.050 0.005 0.000 0.893 1100 N CB 0.173 38.664 38.487 0.007 0.000 0.967 1100 N HN 0.377 nan 8.380 nan 0.000 0.440 1101 D N -0.188 120.215 120.400 0.004 0.000 2.349 1101 D HA 0.081 4.721 4.640 -0.000 0.000 0.215 1101 D C 1.081 177.383 176.300 0.003 0.000 1.016 1101 D CA 0.400 54.402 54.000 0.003 0.000 0.870 1101 D CB 0.478 41.280 40.800 0.002 0.000 0.917 1101 D HN 0.386 nan 8.370 nan 0.000 0.524 1102 G N 1.630 110.432 108.800 0.003 0.000 2.184 1102 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.206 1102 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.206 1102 G C 0.396 175.299 174.900 0.004 0.000 0.995 1102 G CA -0.344 44.758 45.100 0.003 0.000 0.651 1102 G HN 0.233 nan 8.290 nan 0.000 0.511 1103 K N 1.154 121.556 120.400 0.005 0.000 2.378 1103 K HA 0.330 4.650 4.320 -0.000 0.000 0.288 1103 K C 0.326 176.932 176.600 0.010 0.000 1.057 1103 K CA -0.224 56.066 56.287 0.006 0.000 0.971 1103 K CB 0.224 32.728 32.500 0.007 0.000 0.975 1103 K HN 0.184 nan 8.250 nan 0.000 0.475 1104 K N 6.040 126.446 120.400 0.010 0.000 2.316 1104 K HA 0.186 4.505 4.320 -0.000 0.000 0.289 1104 K C -0.185 176.430 176.600 0.026 0.000 1.070 1104 K CA -0.354 55.942 56.287 0.015 0.000 0.928 1104 K CB 0.414 32.918 32.500 0.008 0.000 1.039 1104 K HN 0.591 nan 8.250 nan 0.000 0.480 1105 I N 1.493 122.087 120.570 0.040 0.000 2.689 1105 I HA 0.326 4.496 4.170 -0.000 0.000 0.299 1105 I C -1.017 175.165 176.117 0.109 0.000 1.059 1105 I CA -0.920 60.416 61.300 0.060 0.000 1.055 1105 I CB 1.923 39.946 38.000 0.039 0.000 1.243 1105 I HN 0.676 nan 8.210 nan 0.000 0.425 1106 H N 6.159 125.226 119.070 -0.005 0.000 2.562 1106 H HA 0.556 5.112 4.556 -0.000 0.000 0.314 1106 H C -1.011 174.345 175.328 0.046 0.000 1.079 1106 H CA -0.600 55.438 56.048 -0.016 0.000 1.349 1106 H CB 1.147 30.851 29.762 -0.097 0.000 1.432 1106 H HN 0.938 nan 8.280 nan 0.000 0.479 1107 C N 3.023 122.351 119.300 0.046 0.000 3.044 1107 C HA 0.858 5.318 4.460 -0.000 0.000 0.315 1107 C C 0.053 175.052 174.990 0.016 0.000 1.320 1107 C CA -1.069 57.941 59.018 -0.014 0.000 1.582 1107 C CB 0.698 28.449 27.740 0.019 0.000 2.039 1107 C HN 0.939 nan 8.230 nan 0.000 0.466 1108 A N 0.555 123.366 122.820 -0.015 0.000 2.301 1108 A HA 0.763 5.083 4.320 -0.000 0.000 0.312 1108 A C -0.718 176.837 177.584 -0.048 0.000 1.182 1108 A CA -0.373 51.634 52.037 -0.049 0.000 0.826 1108 A CB 0.520 19.420 19.000 -0.166 0.000 1.134 1108 A HN 1.115 nan 8.150 nan 0.000 0.501 1109 V N 2.875 122.778 119.914 -0.017 0.000 2.487 1109 V HA 0.429 4.549 4.120 -0.000 0.000 0.298 1109 V C 0.007 176.116 176.094 0.023 0.000 1.028 1109 V CA -0.615 61.697 62.300 0.020 0.000 0.860 1109 V CB 1.647 33.497 31.823 0.046 0.000 0.991 1109 V HN 0.940 nan 8.190 nan 0.000 0.427 1110 K N 2.518 122.930 120.400 0.021 0.000 2.221 1110 K HA 0.598 4.918 4.320 -0.000 0.000 0.258 1110 K C -0.414 176.254 176.600 0.113 0.000 0.944 1110 K CA -0.304 55.997 56.287 0.024 0.000 0.823 1110 K CB 1.712 34.203 32.500 -0.016 0.000 1.113 1110 K HN 0.664 nan 8.250 nan 0.000 0.431 1111 S N 5.383 121.181 115.700 0.163 0.000 2.422 1111 S HA 0.279 4.749 4.470 -0.000 0.000 0.298 1111 S C -0.128 174.518 174.600 0.075 0.000 1.118 1111 S CA -0.842 57.464 58.200 0.178 0.000 1.083 1111 S CB 0.324 63.724 63.200 0.334 0.000 0.971 1111 S HN 0.562 nan 8.310 nan 0.000 0.478 1112 L N 5.955 127.174 121.223 -0.007 0.000 2.387 1112 L HA 0.220 4.560 4.340 -0.000 0.000 0.267 1112 L C 0.626 177.448 176.870 -0.080 0.000 1.197 1112 L CA 0.105 54.901 54.840 -0.073 0.000 1.070 1112 L CB -0.767 41.156 42.059 -0.227 0.000 1.349 1112 L HN 0.763 nan 8.230 nan 0.000 0.422 1113 N N 1.319 120.005 118.700 -0.023 0.000 2.494 1113 N HA -0.083 4.657 4.740 -0.000 0.000 0.182 1113 N C 1.945 177.434 175.510 -0.034 0.000 1.076 1113 N CA 0.672 53.710 53.050 -0.020 0.000 0.908 1113 N CB 0.100 38.594 38.487 0.011 0.000 0.967 1113 N HN 0.555 nan 8.380 nan 0.000 0.449 1114 R N 0.279 120.755 120.500 -0.040 0.000 2.310 1114 R HA 0.242 4.582 4.340 -0.000 0.000 0.202 1114 R C 0.546 176.815 176.300 -0.050 0.000 0.933 1114 R CA 0.228 56.307 56.100 -0.035 0.000 1.054 1114 R CB -1.007 29.280 30.300 -0.021 0.000 0.985 1114 R HN 0.079 nan 8.270 nan 0.000 0.489 1115 I N 0.039 120.557 120.570 -0.086 0.000 2.823 1115 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 1115 I C 1.127 177.203 176.117 -0.067 0.000 1.091 1115 I CA 1.045 62.285 61.300 -0.099 0.000 1.365 1115 I CB 2.142 40.026 38.000 -0.192 0.000 1.427 1115 I HN 0.297 nan 8.210 nan 0.000 0.583 1116 T N 0.726 115.249 114.554 -0.051 0.000 3.606 1116 T HA 0.103 4.453 4.350 -0.000 0.000 0.215 1116 T C -0.655 174.030 174.700 -0.025 0.000 0.899 1116 T CA -0.109 61.971 62.100 -0.034 0.000 1.057 1116 T CB -0.248 68.605 68.868 -0.024 0.000 1.109 1116 T HN 0.683 nan 8.240 nan 0.000 0.341 1117 D N 1.702 122.093 120.400 -0.015 0.000 2.451 1117 D HA 0.398 5.038 4.640 -0.000 0.000 0.259 1117 D C 1.616 177.917 176.300 0.002 0.000 1.201 1117 D CA -0.624 53.372 54.000 -0.006 0.000 1.028 1117 D CB 0.391 41.189 40.800 -0.002 0.000 1.095 1117 D HN 0.482 nan 8.370 nan 0.000 0.539 1118 I N -2.674 117.900 120.570 0.007 0.000 2.286 1118 I HA -0.018 4.152 4.170 -0.000 0.000 0.248 1118 I C 1.962 178.092 176.117 0.022 0.000 1.115 1118 I CA 1.588 62.896 61.300 0.014 0.000 1.392 1118 I CB -0.854 37.154 38.000 0.012 0.000 1.065 1118 I HN 0.443 nan 8.210 nan 0.000 0.418 1119 G N 0.909 109.721 108.800 0.019 0.000 2.459 1119 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 1119 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 1119 G C 1.507 176.429 174.900 0.036 0.000 1.183 1119 G CA 1.082 46.196 45.100 0.024 0.000 0.776 1119 G HN 0.563 nan 8.290 nan 0.000 0.552 1120 E N -0.228 119.990 120.200 0.031 0.000 2.058 1120 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 1120 E C 2.771 179.419 176.600 0.081 0.000 0.997 1120 E CA 1.170 57.595 56.400 0.042 0.000 0.801 1120 E CB -0.156 29.550 29.700 0.009 0.000 0.746 1120 E HN 0.296 nan 8.360 nan 0.000 0.450 1121 V N 0.823 120.774 119.914 0.062 0.000 2.343 1121 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 1121 V C 2.246 178.433 176.094 0.155 0.000 1.051 1121 V CA 1.811 64.178 62.300 0.113 0.000 1.036 1121 V CB -0.431 31.428 31.823 0.061 0.000 0.654 1121 V HN 0.196 nan 8.190 nan 0.000 0.451 1122 S N -0.546 115.207 115.700 0.088 0.000 2.356 1122 S HA -0.279 4.190 4.470 -0.000 0.000 0.223 1122 S C 2.008 176.647 174.600 0.064 0.000 1.032 1122 S CA 1.694 59.932 58.200 0.063 0.000 1.005 1122 S CB -0.340 62.883 63.200 0.038 0.000 0.867 1122 S HN 0.662 nan 8.310 nan 0.000 0.449 1123 Q N -0.150 119.697 119.800 0.077 0.000 2.045 1123 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 1123 Q C 1.985 178.041 176.000 0.094 0.000 0.991 1123 Q CA 1.770 57.617 55.803 0.073 0.000 0.851 1123 Q CB -0.387 28.397 28.738 0.077 0.000 0.911 1123 Q HN 0.569 nan 8.270 nan 0.000 0.418 1124 F N 1.291 121.236 119.950 -0.009 0.000 2.095 1124 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 1124 F C 1.764 177.549 175.800 -0.026 0.000 1.104 1124 F CA 1.411 59.403 58.000 -0.013 0.000 1.232 1124 F CB -0.209 38.786 39.000 -0.009 0.000 0.987 1124 F HN -0.032 nan 8.300 nan 0.000 0.475 1125 L N -0.274 120.907 121.223 -0.071 0.000 2.017 1125 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 1125 L C 2.548 179.299 176.870 -0.198 0.000 1.073 1125 L CA 1.903 56.632 54.840 -0.184 0.000 0.745 1125 L CB -1.418 40.618 42.059 -0.038 0.000 0.894 1125 L HN 0.280 nan 8.230 nan 0.000 0.432 1126 T N -3.306 111.183 114.554 -0.108 0.000 2.867 1126 T HA -0.146 4.203 4.350 -0.000 0.000 0.268 1126 T C 1.621 176.250 174.700 -0.118 0.000 1.057 1126 T CA 0.919 62.965 62.100 -0.091 0.000 1.136 1126 T CB -0.260 68.586 68.868 -0.037 0.000 0.874 1126 T HN 0.321 nan 8.240 nan 0.000 0.466 1127 E N 1.262 121.385 120.200 -0.127 0.000 2.085 1127 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 1127 E C 2.527 178.983 176.600 -0.241 0.000 0.994 1127 E CA 0.987 57.306 56.400 -0.135 0.000 0.801 1127 E CB -0.540 29.099 29.700 -0.101 0.000 0.743 1127 E HN 0.678 nan 8.360 nan 0.000 0.453 1128 G N 0.889 109.475 108.800 -0.357 0.000 2.408 1128 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 1128 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 1128 G C 1.562 176.282 174.900 -0.299 0.000 1.150 1128 G CA 0.411 45.280 45.100 -0.384 0.000 0.776 1128 G HN 0.129 nan 8.290 nan 0.000 0.542 1129 I N 0.439 120.857 120.570 -0.253 0.000 2.226 1129 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 1129 I C 2.646 178.645 176.117 -0.198 0.000 1.100 1129 I CA 0.797 61.993 61.300 -0.174 0.000 1.374 1129 I CB -0.152 37.787 38.000 -0.102 0.000 1.057 1129 I HN 0.167 nan 8.210 nan 0.000 0.413 1130 I N 0.037 120.442 120.570 -0.275 0.000 2.113 1130 I HA -0.359 3.811 4.170 -0.000 0.000 0.238 1130 I C 2.679 178.255 176.117 -0.901 0.000 1.070 1130 I CA 1.671 62.687 61.300 -0.474 0.000 1.332 1130 I CB -0.304 37.510 38.000 -0.310 0.000 1.044 1130 I HN 0.255 nan 8.210 nan 0.000 0.402 1131 M N 0.754 119.947 119.600 -0.679 0.000 2.144 1131 M HA -0.279 4.201 4.480 -0.000 0.000 0.260 1131 M C 2.177 178.226 176.300 -0.418 0.000 1.067 1131 M CA 1.857 56.797 55.300 -0.600 0.000 1.095 1131 M CB -0.071 32.363 32.600 -0.277 0.000 1.365 1131 M HN -0.057 nan 8.290 nan 0.000 0.406 1132 K N 0.589 120.808 120.400 -0.301 0.000 2.211 1132 K HA -0.139 4.181 4.320 -0.000 0.000 0.203 1132 K C 1.126 177.667 176.600 -0.098 0.000 1.050 1132 K CA 1.633 57.834 56.287 -0.142 0.000 0.945 1132 K CB -0.328 32.124 32.500 -0.081 0.000 0.732 1132 K HN 0.400 nan 8.250 nan 0.000 0.451 1133 D N -0.576 119.703 120.400 -0.202 0.000 2.269 1133 D HA -0.069 4.571 4.640 -0.000 0.000 0.208 1133 D C -0.320 176.045 176.300 0.108 0.000 0.963 1133 D CA 0.477 54.423 54.000 -0.090 0.000 0.864 1133 D CB -0.024 40.685 40.800 -0.152 0.000 0.936 1133 D HN 0.053 nan 8.370 nan 0.000 0.505 1134 F N 0.988 120.955 119.950 0.028 0.000 2.466 1134 F HA 0.219 4.746 4.527 -0.000 0.000 0.363 1134 F C 0.919 176.760 175.800 0.068 0.000 1.109 1134 F CA -0.974 57.099 58.000 0.123 0.000 1.161 1134 F CB 0.491 39.522 39.000 0.050 0.000 1.117 1134 F HN -0.377 nan 8.300 nan 0.000 0.539 1135 S N 4.906 120.771 115.700 0.274 0.000 2.594 1135 S HA 0.383 4.853 4.470 -0.000 0.000 0.322 1135 S C -1.158 173.294 174.600 -0.247 0.000 1.085 1135 S CA -0.299 57.916 58.200 0.025 0.000 1.116 1135 S CB -0.088 63.138 63.200 0.044 0.000 0.979 1135 S HN 0.730 nan 8.310 nan 0.000 0.465 1136 H N 4.850 123.654 119.070 -0.443 0.000 3.086 1136 H HA 0.304 4.860 4.556 -0.000 0.000 0.353 1136 H C -2.382 172.766 175.328 -0.300 0.000 1.134 1136 H CA -1.324 54.380 56.048 -0.572 0.000 1.248 1136 H CB 2.417 31.513 29.762 -1.111 0.000 1.878 1136 H HN 0.345 nan 8.280 nan 0.000 0.527 1137 P HA -0.126 nan 4.420 nan 0.000 0.217 1137 P C 0.090 177.322 177.300 -0.113 0.000 1.148 1137 P CA 1.358 64.283 63.100 -0.292 0.000 0.834 1137 P CB 0.313 31.801 31.700 -0.352 0.000 0.783 1138 N N -1.054 117.692 118.700 0.076 0.000 2.273 1138 N HA 0.184 4.924 4.740 -0.000 0.000 0.231 1138 N C -0.808 174.741 175.510 0.064 0.000 1.134 1138 N CA -0.251 52.868 53.050 0.115 0.000 0.856 1138 N CB 0.659 39.244 38.487 0.163 0.000 1.068 1138 N HN -0.063 nan 8.380 nan 0.000 0.510 1139 V N 1.581 121.513 119.914 0.029 0.000 2.577 1139 V HA 0.241 4.361 4.120 -0.000 0.000 0.303 1139 V C -0.385 175.705 176.094 -0.006 0.000 1.042 1139 V CA -1.027 61.271 62.300 -0.003 0.000 0.872 1139 V CB 2.112 33.909 31.823 -0.043 0.000 0.998 1139 V HN 0.089 nan 8.190 nan 0.000 0.423 1140 L N 4.902 126.124 121.223 -0.001 0.000 2.534 1140 L HA 0.257 4.597 4.340 -0.000 0.000 0.271 1140 L C 0.686 177.549 176.870 -0.012 0.000 1.178 1140 L CA 1.042 55.866 54.840 -0.026 0.000 0.907 1140 L CB 0.701 42.736 42.059 -0.040 0.000 1.164 1140 L HN 0.764 nan 8.230 nan 0.000 0.482 1141 S N 5.583 121.267 115.700 -0.027 0.000 2.564 1141 S HA 0.321 4.791 4.470 -0.000 0.000 0.278 1141 S C -0.316 174.262 174.600 -0.036 0.000 1.333 1141 S CA -0.593 57.596 58.200 -0.018 0.000 1.048 1141 S CB 0.941 64.126 63.200 -0.025 0.000 0.900 1141 S HN 0.598 nan 8.310 nan 0.000 0.505 1142 L N 4.136 125.334 121.223 -0.040 0.000 2.281 1142 L HA 0.335 4.675 4.340 -0.000 0.000 0.285 1142 L C 0.497 177.339 176.870 -0.048 0.000 1.074 1142 L CA 0.257 55.062 54.840 -0.059 0.000 0.817 1142 L CB 0.094 42.097 42.059 -0.093 0.000 1.168 1142 L HN 0.759 nan 8.230 nan 0.000 0.434 1143 L N 4.737 125.936 121.223 -0.042 0.000 2.270 1143 L HA 0.388 4.728 4.340 -0.000 0.000 0.210 1143 L C 1.040 177.893 176.870 -0.029 0.000 1.104 1143 L CA 0.661 55.484 54.840 -0.028 0.000 0.804 1143 L CB -0.359 41.687 42.059 -0.020 0.000 0.937 1143 L HN 0.909 nan 8.230 nan 0.000 0.450 1144 G N -0.087 108.689 108.800 -0.040 0.000 2.337 1144 G HA2 0.285 4.245 3.960 -0.000 0.000 0.298 1144 G HA3 0.285 4.245 3.960 -0.000 0.000 0.298 1144 G C -1.716 173.164 174.900 -0.033 0.000 1.335 1144 G CA -0.482 44.590 45.100 -0.048 0.000 0.875 1144 G HN 0.022 nan 8.290 nan 0.000 0.579 1145 I N -2.906 117.646 120.570 -0.029 0.000 2.892 1145 I HA 0.850 5.020 4.170 -0.000 0.000 0.306 1145 I C -0.722 175.435 176.117 0.067 0.000 1.078 1145 I CA -1.222 60.107 61.300 0.048 0.000 1.032 1145 I CB 2.275 40.303 38.000 0.048 0.000 1.229 1145 I HN 0.717 nan 8.210 nan 0.000 0.435 1146 C N 5.548 124.917 119.300 0.116 0.000 2.364 1146 C HA 0.598 5.058 4.460 -0.000 0.000 0.324 1146 C C -0.227 174.820 174.990 0.096 0.000 1.234 1146 C CA -0.492 58.576 59.018 0.083 0.000 1.417 1146 C CB 0.530 28.311 27.740 0.069 0.000 2.101 1146 C HN 0.766 nan 8.230 nan 0.000 0.466 1147 L N 7.502 128.769 121.223 0.073 0.000 2.353 1147 L HA 0.422 4.762 4.340 -0.000 0.000 0.269 1147 L C 0.502 177.393 176.870 0.036 0.000 1.085 1147 L CA -0.113 54.762 54.840 0.059 0.000 0.938 1147 L CB -0.019 42.075 42.059 0.058 0.000 1.312 1147 L HN 0.673 nan 8.230 nan 0.000 0.429 1148 R N 0.491 121.010 120.500 0.032 0.000 2.438 1148 R HA 0.184 4.524 4.340 -0.000 0.000 0.287 1148 R C 1.219 177.524 176.300 0.009 0.000 1.077 1148 R CA -0.065 56.050 56.100 0.024 0.000 1.034 1148 R CB 0.656 30.977 30.300 0.035 0.000 0.993 1148 R HN 0.560 nan 8.270 nan 0.000 0.459 1149 S N 0.555 116.258 115.700 0.006 0.000 2.423 1149 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 1149 S C 1.084 175.679 174.600 -0.008 0.000 1.014 1149 S CA 1.022 59.222 58.200 -0.001 0.000 0.965 1149 S CB -0.167 63.032 63.200 -0.001 0.000 0.785 1149 S HN 0.829 nan 8.310 nan 0.000 0.495 1150 E N -0.034 120.159 120.200 -0.012 0.000 4.044 1150 E HA 0.586 4.935 4.350 -0.000 0.000 0.216 1150 E C 0.024 176.605 176.600 -0.032 0.000 1.104 1150 E CA -0.375 56.012 56.400 -0.022 0.000 1.383 1150 E CB 0.280 29.964 29.700 -0.025 0.000 1.195 1150 E HN 0.975 nan 8.360 nan 0.000 0.442 1151 G N 0.175 108.959 108.800 -0.027 0.000 2.429 1151 G HA2 0.495 4.455 3.960 -0.000 0.000 0.300 1151 G HA3 0.495 4.455 3.960 -0.000 0.000 0.300 1151 G C 0.026 174.912 174.900 -0.024 0.000 1.598 1151 G CA 0.094 45.175 45.100 -0.032 0.000 0.863 1151 G HN 1.123 nan 8.290 nan 0.000 0.614 1152 S N 2.023 117.704 115.700 -0.032 0.000 2.563 1152 S HA 0.470 4.940 4.470 -0.000 0.000 0.284 1152 S C -1.497 173.074 174.600 -0.047 0.000 1.331 1152 S CA -0.321 57.847 58.200 -0.053 0.000 1.047 1152 S CB 0.941 64.110 63.200 -0.052 0.000 0.859 1152 S HN 0.574 nan 8.310 nan 0.000 0.514 1153 P HA 0.297 nan 4.420 nan 0.000 0.272 1153 P C -0.874 176.405 177.300 -0.035 0.000 1.240 1153 P CA -0.469 62.569 63.100 -0.104 0.000 0.791 1153 P CB 0.307 31.828 31.700 -0.298 0.000 0.978 1154 L N 0.327 121.600 121.223 0.083 0.000 2.362 1154 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 1154 L C -0.162 176.827 176.870 0.199 0.000 0.998 1154 L CA -1.282 53.637 54.840 0.131 0.000 0.820 1154 L CB 2.062 44.195 42.059 0.123 0.000 1.270 1154 L HN 0.050 nan 8.230 nan 0.000 0.415 1155 V N 3.369 123.394 119.914 0.184 0.000 2.465 1155 V HA 0.384 4.504 4.120 -0.000 0.000 0.279 1155 V C 0.089 176.217 176.094 0.057 0.000 1.045 1155 V CA -0.632 61.757 62.300 0.148 0.000 0.938 1155 V CB 1.762 33.670 31.823 0.142 0.000 0.986 1155 V HN 0.450 nan 8.190 nan 0.000 0.467 1156 V N 6.635 126.564 119.914 0.026 0.000 2.384 1156 V HA 0.581 4.701 4.120 -0.000 0.000 0.287 1156 V C -0.316 175.760 176.094 -0.031 0.000 1.020 1156 V CA -0.389 61.910 62.300 -0.001 0.000 0.850 1156 V CB 1.331 33.160 31.823 0.009 0.000 0.987 1156 V HN 0.678 nan 8.190 nan 0.000 0.436 1157 L N 6.219 127.409 121.223 -0.054 0.000 2.354 1157 L HA 0.654 4.994 4.340 -0.000 0.000 0.264 1157 L C -2.654 174.166 176.870 -0.082 0.000 1.008 1157 L CA -2.016 52.774 54.840 -0.083 0.000 0.819 1157 L CB 2.394 44.372 42.059 -0.135 0.000 1.339 1157 L HN 0.371 nan 8.230 nan 0.000 0.420 1158 P HA -0.007 nan 4.420 nan 0.000 0.268 1158 P C -1.237 175.995 177.300 -0.114 0.000 1.205 1158 P CA -0.072 62.984 63.100 -0.073 0.000 0.771 1158 P CB 0.216 31.874 31.700 -0.069 0.000 0.858 1159 Y N 2.798 122.947 120.300 -0.252 0.000 2.511 1159 Y HA 0.244 4.794 4.550 -0.000 0.000 0.332 1159 Y C 0.228 175.979 175.900 -0.248 0.000 1.177 1159 Y CA 0.068 57.963 58.100 -0.342 0.000 1.422 1159 Y CB 0.514 38.590 38.460 -0.641 0.000 1.271 1159 Y HN 0.250 nan 8.280 nan 0.000 0.550 1160 M N 7.333 126.433 119.600 -0.834 0.000 2.047 1160 M HA 0.231 4.711 4.480 -0.000 0.000 0.342 1160 M C 0.854 176.732 176.300 -0.704 0.000 1.058 1160 M CA -0.065 54.886 55.300 -0.581 0.000 0.991 1160 M CB 1.070 33.400 32.600 -0.450 0.000 1.474 1160 M HN 0.783 nan 8.290 nan 0.000 0.419 1161 K N 1.667 121.816 120.400 -0.418 0.000 2.034 1161 K HA -0.188 4.132 4.320 -0.000 0.000 0.214 1161 K C 0.612 176.936 176.600 -0.461 0.000 1.051 1161 K CA 1.613 57.681 56.287 -0.365 0.000 0.931 1161 K CB 0.074 32.293 32.500 -0.468 0.000 0.715 1161 K HN 0.694 nan 8.250 nan 0.000 0.446 1162 H N -0.597 118.331 119.070 -0.236 0.000 2.517 1162 H HA 0.146 4.702 4.556 -0.000 0.000 0.282 1162 H C 1.108 176.366 175.328 -0.117 0.000 1.023 1162 H CA 0.486 56.443 56.048 -0.151 0.000 1.169 1162 H CB 0.357 29.920 29.762 -0.332 0.000 1.454 1162 H HN 0.495 nan 8.280 nan 0.000 0.556 1163 G N 2.086 110.804 108.800 -0.136 0.000 2.564 1163 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.273 1163 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.273 1163 G C -0.169 174.682 174.900 -0.082 0.000 1.242 1163 G CA 0.199 45.230 45.100 -0.114 0.000 0.951 1163 G HN 0.565 nan 8.290 nan 0.000 0.564 1164 D N -0.610 119.791 120.400 0.002 0.000 2.312 1164 D HA 0.507 5.147 4.640 -0.000 0.000 0.248 1164 D C 1.436 177.732 176.300 -0.006 0.000 1.086 1164 D CA -0.520 53.489 54.000 0.016 0.000 0.948 1164 D CB 1.034 41.901 40.800 0.111 0.000 1.162 1164 D HN 0.478 nan 8.370 nan 0.000 0.446 1165 L N 1.008 122.194 121.223 -0.061 0.000 2.141 1165 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 1165 L C 2.294 179.175 176.870 0.019 0.000 1.094 1165 L CA 1.566 56.339 54.840 -0.111 0.000 0.763 1165 L CB -0.870 41.077 42.059 -0.185 0.000 0.908 1165 L HN 0.658 nan 8.230 nan 0.000 0.437 1166 R N -0.443 120.087 120.500 0.049 0.000 2.070 1166 R HA -0.173 4.167 4.340 -0.000 0.000 0.233 1166 R C 2.065 178.423 176.300 0.096 0.000 1.137 1166 R CA 2.064 58.214 56.100 0.083 0.000 0.945 1166 R CB -0.330 30.021 30.300 0.085 0.000 0.845 1166 R HN 0.530 nan 8.270 nan 0.000 0.430 1167 N N -0.541 118.218 118.700 0.098 0.000 2.104 1167 N HA -0.208 4.532 4.740 -0.000 0.000 0.190 1167 N C 1.667 177.265 175.510 0.146 0.000 1.024 1167 N CA 1.391 54.505 53.050 0.107 0.000 0.853 1167 N CB -0.213 38.337 38.487 0.105 0.000 1.008 1167 N HN 0.155 nan 8.380 nan 0.000 0.424 1168 F N 2.313 122.273 119.950 0.017 0.000 2.134 1168 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 1168 F C 2.077 177.911 175.800 0.058 0.000 1.097 1168 F CA 1.064 59.076 58.000 0.020 0.000 1.264 1168 F CB -0.149 38.745 39.000 -0.177 0.000 1.001 1168 F HN 0.002 nan 8.300 nan 0.000 0.479 1169 I N -1.658 119.018 120.570 0.178 0.000 2.761 1169 I HA -0.054 4.116 4.170 -0.000 0.000 0.261 1169 I C 2.176 178.323 176.117 0.049 0.000 1.198 1169 I CA 0.937 62.301 61.300 0.107 0.000 1.482 1169 I CB -0.534 37.548 38.000 0.136 0.000 1.100 1169 I HN 0.052 nan 8.210 nan 0.000 0.445 1170 R N 2.094 122.626 120.500 0.053 0.000 2.119 1170 R HA 0.016 4.356 4.340 -0.000 0.000 0.222 1170 R C 0.829 177.134 176.300 0.010 0.000 1.088 1170 R CA 0.529 56.653 56.100 0.040 0.000 0.984 1170 R CB -0.325 30.007 30.300 0.052 0.000 0.884 1170 R HN 0.591 nan 8.270 nan 0.000 0.447 1171 N N 1.290 119.981 118.700 -0.016 0.000 2.513 1171 N HA -0.088 4.652 4.740 -0.000 0.000 0.268 1171 N C 0.202 175.647 175.510 -0.109 0.000 1.180 1171 N CA 0.332 53.339 53.050 -0.072 0.000 0.948 1171 N CB 1.689 40.109 38.487 -0.111 0.000 1.083 1171 N HN -0.122 nan 8.380 nan 0.000 0.455 1172 E N 1.604 121.750 120.200 -0.090 0.000 2.418 1172 E HA -0.030 4.320 4.350 -0.000 0.000 0.197 1172 E C 0.909 177.450 176.600 -0.099 0.000 1.026 1172 E CA 0.915 57.278 56.400 -0.063 0.000 0.862 1172 E CB -0.063 29.615 29.700 -0.037 0.000 0.799 1172 E HN 0.788 nan 8.360 nan 0.000 0.518 1173 T N -1.196 113.234 114.554 -0.207 0.000 2.951 1173 T HA -0.040 4.310 4.350 -0.000 0.000 0.268 1173 T C 0.328 174.893 174.700 -0.224 0.000 1.073 1173 T CA 0.723 62.675 62.100 -0.246 0.000 1.134 1173 T CB -0.341 68.313 68.868 -0.358 0.000 0.884 1173 T HN 0.271 nan 8.240 nan 0.000 0.479 1174 H N 2.279 121.282 119.070 -0.112 0.000 2.481 1174 H HA 0.394 4.950 4.556 -0.000 0.000 0.339 1174 H C 0.405 175.740 175.328 0.010 0.000 1.131 1174 H CA -0.818 55.169 56.048 -0.102 0.000 1.301 1174 H CB 0.534 29.982 29.762 -0.524 0.000 1.476 1174 H HN 0.228 nan 8.280 nan 0.000 0.529 1175 N N 2.726 121.594 118.700 0.279 0.000 2.791 1175 N HA 0.147 4.887 4.740 -0.000 0.000 0.265 1175 N C -3.300 172.417 175.510 0.345 0.000 1.580 1175 N CA -1.632 51.538 53.050 0.200 0.000 0.809 1175 N CB 1.318 39.842 38.487 0.061 0.000 1.178 1175 N HN 0.368 nan 8.380 nan 0.000 0.499 1176 P HA 0.077 nan 4.420 nan 0.000 0.276 1176 P C 0.664 178.011 177.300 0.078 0.000 1.230 1176 P CA 0.285 63.615 63.100 0.383 0.000 0.776 1176 P CB 1.121 33.051 31.700 0.384 0.000 0.888 1177 T N -0.907 113.637 114.554 -0.015 0.000 2.770 1177 T HA 0.127 4.477 4.350 -0.000 0.000 0.281 1177 T C 1.501 176.078 174.700 -0.205 0.000 0.981 1177 T CA -0.539 61.490 62.100 -0.118 0.000 0.955 1177 T CB -0.142 68.605 68.868 -0.202 0.000 1.060 1177 T HN 0.056 nan 8.240 nan 0.000 0.531 1178 V N 1.126 120.926 119.914 -0.190 0.000 2.287 1178 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 1178 V C 2.891 178.750 176.094 -0.391 0.000 1.053 1178 V CA 2.377 64.504 62.300 -0.288 0.000 1.027 1178 V CB -0.996 30.670 31.823 -0.262 0.000 0.646 1178 V HN 0.996 nan 8.190 nan 0.000 0.447 1179 K N -0.312 119.885 120.400 -0.338 0.000 2.097 1179 K HA -0.233 4.087 4.320 -0.000 0.000 0.206 1179 K C 1.885 178.422 176.600 -0.106 0.000 1.049 1179 K CA 1.831 57.977 56.287 -0.235 0.000 0.933 1179 K CB -0.230 32.164 32.500 -0.177 0.000 0.717 1179 K HN 0.474 nan 8.250 nan 0.000 0.442 1180 D N 0.736 121.017 120.400 -0.199 0.000 2.117 1180 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 1180 D C 1.989 177.984 176.300 -0.509 0.000 0.987 1180 D CA 1.110 54.903 54.000 -0.344 0.000 0.829 1180 D CB -0.012 40.674 40.800 -0.190 0.000 0.961 1180 D HN 0.257 nan 8.370 nan 0.000 0.460 1181 L N 0.386 121.465 121.223 -0.241 0.000 2.072 1181 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 1181 L C 2.557 179.391 176.870 -0.060 0.000 1.079 1181 L CA 0.511 55.303 54.840 -0.081 0.000 0.752 1181 L CB -0.253 41.733 42.059 -0.121 0.000 0.906 1181 L HN -0.026 nan 8.230 nan 0.000 0.436 1182 I N 0.077 120.585 120.570 -0.104 0.000 2.226 1182 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 1182 I C 2.669 178.754 176.117 -0.054 0.000 1.100 1182 I CA 1.427 62.706 61.300 -0.034 0.000 1.374 1182 I CB -0.935 37.058 38.000 -0.013 0.000 1.057 1182 I HN 0.266 nan 8.210 nan 0.000 0.413 1183 G N 0.687 109.419 108.800 -0.113 0.000 2.440 1183 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 1183 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 1183 G C 1.657 176.436 174.900 -0.200 0.000 1.154 1183 G CA 0.673 45.543 45.100 -0.382 0.000 0.767 1183 G HN 0.329 nan 8.290 nan 0.000 0.552 1184 F N 1.104 121.016 119.950 -0.063 0.000 2.186 1184 F HA 0.029 4.556 4.527 -0.000 0.000 0.299 1184 F C 2.972 178.761 175.800 -0.018 0.000 1.090 1184 F CA 0.287 58.260 58.000 -0.045 0.000 1.307 1184 F CB -0.093 38.887 39.000 -0.034 0.000 1.019 1184 F HN 0.243 nan 8.300 nan 0.000 0.489 1185 G N 0.306 109.203 108.800 0.162 0.000 2.418 1185 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 1185 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 1185 G C 1.517 176.555 174.900 0.230 0.000 1.158 1185 G CA 0.721 45.899 45.100 0.131 0.000 0.771 1185 G HN 0.243 nan 8.290 nan 0.000 0.545 1186 L N 0.468 121.745 121.223 0.090 0.000 2.017 1186 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 1186 L C 2.898 179.796 176.870 0.047 0.000 1.073 1186 L CA 2.108 56.968 54.840 0.034 0.000 0.745 1186 L CB -0.691 41.240 42.059 -0.212 0.000 0.894 1186 L HN 0.332 nan 8.230 nan 0.000 0.432 1187 Q N -1.202 118.619 119.800 0.034 0.000 2.084 1187 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 1187 Q C 2.182 178.229 176.000 0.078 0.000 0.978 1187 Q CA 1.901 57.734 55.803 0.051 0.000 0.844 1187 Q CB -0.366 28.412 28.738 0.067 0.000 0.898 1187 Q HN 0.471 nan 8.270 nan 0.000 0.426 1188 V N 1.359 121.355 119.914 0.136 0.000 2.282 1188 V HA -0.360 3.760 4.120 -0.000 0.000 0.249 1188 V C 2.344 178.478 176.094 0.066 0.000 1.057 1188 V CA 2.001 64.394 62.300 0.154 0.000 1.032 1188 V CB -1.182 30.823 31.823 0.303 0.000 0.645 1188 V HN 0.452 nan 8.190 nan 0.000 0.447 1189 A N -0.416 122.489 122.820 0.142 0.000 1.908 1189 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 1189 A C 2.300 179.786 177.584 -0.162 0.000 1.181 1189 A CA 2.307 54.247 52.037 -0.162 0.000 0.627 1189 A CB -0.510 18.480 19.000 -0.015 0.000 0.818 1189 A HN 0.577 nan 8.150 nan 0.000 0.445 1190 K N -1.002 119.369 120.400 -0.049 0.000 2.057 1190 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 1190 K C 2.161 178.657 176.600 -0.173 0.000 1.049 1190 K CA 1.167 57.437 56.287 -0.029 0.000 0.931 1190 K CB -0.477 32.080 32.500 0.095 0.000 0.714 1190 K HN 0.481 nan 8.250 nan 0.000 0.440 1191 G N 1.001 109.700 108.800 -0.169 0.000 2.418 1191 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 1191 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 1191 G C 1.437 176.143 174.900 -0.324 0.000 1.158 1191 G CA 0.560 45.487 45.100 -0.288 0.000 0.771 1191 G HN 0.062 nan 8.290 nan 0.000 0.545 1192 M N 0.602 119.946 119.600 -0.427 0.000 2.213 1192 M HA 0.029 4.509 4.480 -0.000 0.000 0.263 1192 M C 2.265 178.203 176.300 -0.604 0.000 1.062 1192 M CA 1.070 55.928 55.300 -0.737 0.000 1.105 1192 M CB -0.824 30.793 32.600 -1.639 0.000 1.385 1192 M HN 0.336 nan 8.290 nan 0.000 0.417 1193 K N -0.483 119.690 120.400 -0.379 0.000 2.057 1193 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 1193 K C 2.136 178.660 176.600 -0.127 0.000 1.049 1193 K CA 1.423 57.636 56.287 -0.124 0.000 0.931 1193 K CB -0.301 32.170 32.500 -0.049 0.000 0.714 1193 K HN 0.272 nan 8.250 nan 0.000 0.440 1194 Y N 1.315 121.394 120.300 -0.368 0.000 2.200 1194 Y HA -0.132 4.418 4.550 -0.000 0.000 0.290 1194 Y C 1.738 177.434 175.900 -0.341 0.000 1.137 1194 Y CA 1.364 59.231 58.100 -0.389 0.000 1.163 1194 Y CB -0.088 37.935 38.460 -0.729 0.000 0.988 1194 Y HN -0.008 nan 8.280 nan 0.000 0.518 1195 L N -0.198 120.840 121.223 -0.309 0.000 2.046 1195 L HA -0.221 4.118 4.340 -0.000 0.000 0.208 1195 L C 2.778 179.545 176.870 -0.172 0.000 1.077 1195 L CA 1.212 55.845 54.840 -0.346 0.000 0.747 1195 L CB -0.971 41.004 42.059 -0.141 0.000 0.896 1195 L HN 0.373 nan 8.230 nan 0.000 0.432 1196 A N 0.052 122.812 122.820 -0.099 0.000 1.930 1196 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 1196 A C 2.512 180.072 177.584 -0.040 0.000 1.175 1196 A CA 1.802 53.846 52.037 0.011 0.000 0.627 1196 A CB -0.650 18.425 19.000 0.126 0.000 0.815 1196 A HN 0.520 nan 8.150 nan 0.000 0.443 1197 S N -0.466 115.160 115.700 -0.124 0.000 2.419 1197 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 1197 S C 1.333 175.838 174.600 -0.158 0.000 1.016 1197 S CA 1.272 59.392 58.200 -0.132 0.000 0.974 1197 S CB -0.174 62.931 63.200 -0.159 0.000 0.786 1197 S HN 0.404 nan 8.310 nan 0.000 0.492 1198 K N 1.206 121.466 120.400 -0.234 0.000 2.437 1198 K HA 0.205 4.525 4.320 -0.000 0.000 0.198 1198 K C -0.074 176.546 176.600 0.034 0.000 1.024 1198 K CA -0.064 56.142 56.287 -0.136 0.000 1.148 1198 K CB -0.003 32.354 32.500 -0.239 0.000 0.860 1198 K HN 0.328 nan 8.250 nan 0.000 0.515 1199 K N 0.344 120.765 120.400 0.034 0.000 3.077 1199 K HA -0.220 4.100 4.320 -0.000 0.000 0.264 1199 K C -0.364 176.332 176.600 0.160 0.000 1.008 1199 K CA 0.560 56.896 56.287 0.081 0.000 0.740 1199 K CB -2.321 30.219 32.500 0.067 0.000 1.273 1199 K HN 0.201 nan 8.250 nan 0.000 0.477 1200 F N 0.434 120.391 119.950 0.012 0.000 2.427 1200 F HA 0.365 4.892 4.527 -0.000 0.000 0.346 1200 F C 0.168 176.003 175.800 0.058 0.000 1.120 1200 F CA -0.970 57.066 58.000 0.060 0.000 1.033 1200 F CB 1.202 40.249 39.000 0.079 0.000 1.126 1200 F HN -0.135 nan 8.300 nan 0.000 0.462 1201 V N 6.752 126.358 119.914 -0.514 0.000 2.439 1201 V HA 0.103 4.223 4.120 -0.000 0.000 0.282 1201 V C 0.991 176.731 176.094 -0.591 0.000 1.039 1201 V CA -0.386 61.720 62.300 -0.324 0.000 0.913 1201 V CB 1.127 32.870 31.823 -0.134 0.000 0.983 1201 V HN 0.864 nan 8.190 nan 0.000 0.460 1202 H N 4.580 123.523 119.070 -0.212 0.000 2.384 1202 H HA 0.052 4.608 4.556 -0.000 0.000 0.300 1202 H C 1.707 176.987 175.328 -0.081 0.000 1.057 1202 H CA 1.790 57.805 56.048 -0.054 0.000 1.370 1202 H CB 0.411 30.250 29.762 0.128 0.000 1.417 1202 H HN 0.750 nan 8.280 nan 0.000 0.527 1203 R N -1.071 119.513 120.500 0.141 0.000 3.928 1203 R HA -0.196 4.144 4.340 -0.000 0.000 0.417 1203 R C -0.147 176.205 176.300 0.085 0.000 0.647 1203 R CA 1.705 57.780 56.100 -0.040 0.000 1.610 1203 R CB -1.385 28.680 30.300 -0.392 0.000 2.164 1203 R HN 0.302 nan 8.270 nan 0.000 0.406 1204 D N 0.364 120.966 120.400 0.337 0.000 2.895 1204 D HA 0.191 4.831 4.640 -0.000 0.000 0.350 1204 D C -1.191 175.228 176.300 0.200 0.000 1.389 1204 D CA -0.373 53.762 54.000 0.224 0.000 0.812 1204 D CB 0.375 41.240 40.800 0.108 0.000 1.164 1204 D HN 0.010 nan 8.370 nan 0.000 0.455 1205 L N 1.486 122.728 121.223 0.031 0.000 2.313 1205 L HA 0.677 5.017 4.340 -0.000 0.000 0.282 1205 L C -0.505 176.343 176.870 -0.038 0.000 1.092 1205 L CA 0.091 54.798 54.840 -0.222 0.000 0.831 1205 L CB 0.523 42.471 42.059 -0.184 0.000 1.159 1205 L HN 0.168 nan 8.230 nan 0.000 0.442 1206 A N 3.845 126.607 122.820 -0.097 0.000 2.601 1206 A HA 0.706 5.026 4.320 -0.000 0.000 0.291 1206 A C 0.492 178.077 177.584 0.001 0.000 1.075 1206 A CA -0.129 51.842 52.037 -0.109 0.000 0.671 1206 A CB 0.369 18.941 19.000 -0.713 0.000 1.277 1206 A HN 0.991 nan 8.150 nan 0.000 0.417 1207 A N 0.716 123.609 122.820 0.121 0.000 1.908 1207 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 1207 A C 1.997 179.598 177.584 0.028 0.000 1.181 1207 A CA 2.159 54.255 52.037 0.098 0.000 0.627 1207 A CB -0.652 18.446 19.000 0.164 0.000 0.818 1207 A HN 1.162 nan 8.150 nan 0.000 0.445 1208 R N -0.653 119.834 120.500 -0.022 0.000 2.193 1208 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 1208 R C 0.382 176.654 176.300 -0.046 0.000 1.110 1208 R CA 1.691 57.754 56.100 -0.061 0.000 0.988 1208 R CB -0.494 29.713 30.300 -0.155 0.000 0.871 1208 R HN 0.403 nan 8.270 nan 0.000 0.458 1209 N N 0.055 118.737 118.700 -0.030 0.000 2.270 1209 N HA 0.082 4.822 4.740 -0.000 0.000 0.198 1209 N C -0.683 174.903 175.510 0.127 0.000 1.117 1209 N CA 0.055 53.154 53.050 0.081 0.000 0.845 1209 N CB 0.480 39.009 38.487 0.070 0.000 0.980 1209 N HN 0.154 nan 8.380 nan 0.000 0.486 1210 C N 1.975 121.311 119.300 0.061 0.000 2.329 1210 C HA 0.519 4.979 4.460 -0.000 0.000 0.329 1210 C C 0.405 175.381 174.990 -0.024 0.000 1.275 1210 C CA -0.932 58.097 59.018 0.018 0.000 1.726 1210 C CB 0.331 28.063 27.740 -0.013 0.000 2.291 1210 C HN 0.181 nan 8.230 nan 0.000 0.514 1211 M N 2.932 122.497 119.600 -0.057 0.000 2.471 1211 M HA 0.640 5.120 4.480 -0.000 0.000 0.309 1211 M C -0.613 175.573 176.300 -0.190 0.000 1.186 1211 M CA -1.124 54.102 55.300 -0.123 0.000 1.008 1211 M CB 0.901 33.412 32.600 -0.149 0.000 1.551 1211 M HN 0.427 nan 8.290 nan 0.000 0.477 1212 L N 2.634 123.713 121.223 -0.240 0.000 2.491 1212 L HA 0.377 4.717 4.340 -0.000 0.000 0.267 1212 L C -0.766 175.954 176.870 -0.251 0.000 0.971 1212 L CA -0.376 54.279 54.840 -0.308 0.000 0.857 1212 L CB 0.875 42.618 42.059 -0.525 0.000 1.226 1212 L HN 0.771 nan 8.230 nan 0.000 0.408 1213 D N 3.009 123.284 120.400 -0.209 0.000 2.478 1213 D HA 0.089 4.729 4.640 -0.000 0.000 0.269 1213 D C 0.823 177.010 176.300 -0.187 0.000 1.232 1213 D CA -0.067 53.818 54.000 -0.190 0.000 1.059 1213 D CB 0.468 41.181 40.800 -0.145 0.000 1.104 1213 D HN 0.596 nan 8.370 nan 0.000 0.566 1214 E N 0.363 120.451 120.200 -0.187 0.000 2.204 1214 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 1214 E C 0.806 177.231 176.600 -0.292 0.000 0.990 1214 E CA 1.087 57.355 56.400 -0.220 0.000 0.821 1214 E CB -0.280 29.347 29.700 -0.122 0.000 0.750 1214 E HN 0.514 nan 8.360 nan 0.000 0.477 1215 K N -0.109 120.205 120.400 -0.143 0.000 2.458 1215 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 1215 K C -0.421 176.303 176.600 0.207 0.000 1.024 1215 K CA 0.079 56.394 56.287 0.048 0.000 1.108 1215 K CB -0.312 32.229 32.500 0.067 0.000 0.846 1215 K HN 0.020 nan 8.250 nan 0.000 0.518 1216 F N -0.002 119.961 119.950 0.021 0.000 3.074 1216 F HA -0.258 4.269 4.527 -0.000 0.000 0.289 1216 F C -0.242 175.567 175.800 0.016 0.000 0.863 1216 F CA 0.388 58.360 58.000 -0.046 0.000 1.121 1216 F CB -2.731 36.292 39.000 0.037 0.000 1.169 1216 F HN -0.104 nan 8.300 nan 0.000 0.570 1217 T N 1.074 115.669 114.554 0.068 0.000 2.749 1217 T HA 0.526 4.876 4.350 -0.000 0.000 0.295 1217 T C 0.457 175.136 174.700 -0.035 0.000 0.936 1217 T CA -0.550 61.573 62.100 0.038 0.000 1.060 1217 T CB 1.553 70.422 68.868 0.002 0.000 0.904 1217 T HN 0.036 nan 8.240 nan 0.000 0.500 1218 V N 5.691 125.599 119.914 -0.011 0.000 2.488 1218 V HA 0.224 4.344 4.120 -0.000 0.000 0.277 1218 V C 0.425 176.494 176.094 -0.041 0.000 1.046 1218 V CA -0.331 61.928 62.300 -0.069 0.000 0.986 1218 V CB 0.376 32.184 31.823 -0.026 0.000 0.989 1218 V HN 0.656 nan 8.190 nan 0.000 0.475 1219 K N 4.290 124.652 120.400 -0.063 0.000 2.307 1219 K HA 0.484 4.804 4.320 -0.000 0.000 0.263 1219 K C -0.741 175.854 176.600 -0.007 0.000 0.973 1219 K CA -0.645 55.619 56.287 -0.037 0.000 0.846 1219 K CB 2.061 34.523 32.500 -0.063 0.000 1.100 1219 K HN 0.417 nan 8.250 nan 0.000 0.438 1220 V N 2.180 122.107 119.914 0.022 0.000 2.555 1220 V HA 0.428 4.548 4.120 -0.000 0.000 0.286 1220 V C 0.500 176.671 176.094 0.129 0.000 1.044 1220 V CA -0.219 62.125 62.300 0.074 0.000 1.026 1220 V CB 0.822 32.686 31.823 0.069 0.000 0.981 1220 V HN 0.926 nan 8.190 nan 0.000 0.480 1221 A N 4.171 127.118 122.820 0.212 0.000 2.583 1221 A HA 0.914 5.234 4.320 -0.000 0.000 0.289 1221 A C -1.299 176.493 177.584 0.347 0.000 1.151 1221 A CA -0.723 51.446 52.037 0.220 0.000 0.695 1221 A CB 1.840 20.916 19.000 0.126 0.000 1.290 1221 A HN 0.789 nan 8.150 nan 0.000 0.419 1247 V N -0.427 119.605 119.914 0.198 0.000 2.380 1247 V HA -0.267 3.853 4.120 -0.000 0.000 0.251 1247 V C 1.842 178.003 176.094 0.112 0.000 1.063 1247 V CA 1.911 64.284 62.300 0.123 0.000 1.055 1247 V CB -0.795 31.052 31.823 0.039 0.000 0.657 1247 V HN 0.224 nan 8.190 nan 0.000 0.455 1248 K N -1.161 119.352 120.400 0.188 0.000 2.515 1248 K HA -0.041 4.279 4.320 -0.000 0.000 0.196 1248 K C 1.712 178.355 176.600 0.072 0.000 1.038 1248 K CA 1.437 57.751 56.287 0.045 0.000 0.967 1248 K CB -0.159 32.339 32.500 -0.003 0.000 0.780 1248 K HN 0.710 nan 8.250 nan 0.000 0.483 1249 W N 0.348 121.737 121.300 0.148 0.000 3.058 1249 W HA 0.227 4.887 4.660 -0.000 0.000 0.306 1249 W C 0.346 177.007 176.519 0.236 0.000 1.188 1249 W CA -0.412 57.076 57.345 0.238 0.000 1.651 1249 W CB 0.302 29.884 29.460 0.204 0.000 1.051 1249 W HN -0.015 nan 8.180 nan 0.000 0.592 1250 M N 0.585 120.343 119.600 0.263 0.000 2.242 1250 M HA 0.334 4.814 4.480 -0.000 0.000 0.344 1250 M C 0.702 176.671 176.300 -0.552 0.000 1.140 1250 M CA -0.128 55.189 55.300 0.029 0.000 1.160 1250 M CB 0.895 33.523 32.600 0.047 0.000 1.491 1250 M HN -0.267 nan 8.290 nan 0.000 0.459 1251 A N 1.787 124.187 122.820 -0.702 0.000 2.406 1251 A HA 0.190 4.510 4.320 -0.000 0.000 0.243 1251 A C 0.889 177.850 177.584 -1.039 0.000 1.082 1251 A CA -0.505 50.734 52.037 -1.331 0.000 0.786 1251 A CB 0.195 18.910 19.000 -0.475 0.000 1.029 1251 A HN 0.989 nan 8.150 nan 0.000 0.495 1252 L N 0.592 121.113 121.223 -1.169 0.000 1.971 1252 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 1252 L C 2.658 179.311 176.870 -0.363 0.000 1.072 1252 L CA 2.780 57.269 54.840 -0.585 0.000 0.758 1252 L CB -0.512 41.352 42.059 -0.325 0.000 0.889 1252 L HN 0.902 nan 8.230 nan 0.000 0.433 1253 E N -1.389 118.631 120.200 -0.299 0.000 2.338 1253 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 1253 E C 1.791 178.210 176.600 -0.302 0.000 1.007 1253 E CA 1.285 57.550 56.400 -0.225 0.000 0.849 1253 E CB -0.367 29.243 29.700 -0.150 0.000 0.774 1253 E HN 0.559 nan 8.360 nan 0.000 0.506 1254 S N 0.883 116.331 115.700 -0.420 0.000 2.406 1254 S HA 0.110 4.580 4.470 -0.000 0.000 0.224 1254 S C 2.058 176.425 174.600 -0.390 0.000 1.030 1254 S CA 0.351 58.185 58.200 -0.609 0.000 0.958 1254 S CB -0.144 62.548 63.200 -0.846 0.000 0.811 1254 S HN 0.174 nan 8.310 nan 0.000 0.489 1255 L N 1.827 122.872 121.223 -0.296 0.000 2.201 1255 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 1255 L C 2.679 179.465 176.870 -0.141 0.000 1.105 1255 L CA 1.075 55.803 54.840 -0.187 0.000 0.775 1255 L CB -0.412 41.527 42.059 -0.199 0.000 0.913 1255 L HN 0.471 nan 8.230 nan 0.000 0.440 1256 Q N -1.975 117.730 119.800 -0.157 0.000 2.392 1256 Q HA 0.050 4.390 4.340 -0.000 0.000 0.219 1256 Q C 0.756 176.696 176.000 -0.101 0.000 0.895 1256 Q CA 1.022 56.760 55.803 -0.109 0.000 0.929 1256 Q CB 0.402 29.081 28.738 -0.098 0.000 1.077 1256 Q HN 0.288 nan 8.270 nan 0.000 0.532 1257 T N 0.609 115.080 114.554 -0.140 0.000 3.192 1257 T HA 0.009 4.359 4.350 -0.000 0.000 0.295 1257 T C -0.230 174.385 174.700 -0.141 0.000 0.947 1257 T CA -0.013 62.016 62.100 -0.119 0.000 0.916 1257 T CB 0.604 69.406 68.868 -0.111 0.000 1.169 1257 T HN 0.341 nan 8.240 nan 0.000 0.540 1258 Q N 0.278 119.958 119.800 -0.200 0.000 2.378 1258 Q HA -0.230 4.110 4.340 -0.000 0.000 0.296 1258 Q C -0.215 175.605 176.000 -0.300 0.000 1.209 1258 Q CA 1.579 57.246 55.803 -0.227 0.000 0.910 1258 Q CB -2.951 25.819 28.738 0.052 0.000 1.240 1258 Q HN 0.725 nan 8.270 nan 0.000 0.499 1259 K N 0.912 121.055 120.400 -0.430 0.000 2.253 1259 K HA 0.637 4.957 4.320 -0.000 0.000 0.277 1259 K C -0.773 175.555 176.600 -0.454 0.000 1.053 1259 K CA -0.299 55.821 56.287 -0.279 0.000 0.892 1259 K CB 0.327 32.728 32.500 -0.165 0.000 1.102 1259 K HN 0.246 nan 8.250 nan 0.000 0.469 1260 F N 1.876 121.821 119.950 -0.009 0.000 2.402 1260 F HA 0.490 5.017 4.527 -0.000 0.000 0.355 1260 F C 1.016 176.820 175.800 0.006 0.000 1.123 1260 F CA -0.379 57.622 58.000 0.002 0.000 1.021 1260 F CB 2.533 41.531 39.000 -0.004 0.000 1.160 1260 F HN 0.661 nan 8.300 nan 0.000 0.451 1261 T N -2.449 112.208 114.554 0.171 0.000 2.858 1261 T HA 0.211 4.561 4.350 -0.000 0.000 0.285 1261 T C 0.855 175.649 174.700 0.158 0.000 1.052 1261 T CA -0.302 61.873 62.100 0.125 0.000 1.009 1261 T CB 1.503 70.417 68.868 0.077 0.000 1.241 1261 T HN 0.456 nan 8.240 nan 0.000 0.542 1262 T N -0.366 114.272 114.554 0.140 0.000 2.881 1262 T HA -0.071 4.279 4.350 -0.000 0.000 0.270 1262 T C 1.512 176.324 174.700 0.187 0.000 1.068 1262 T CA 1.121 63.342 62.100 0.201 0.000 1.131 1262 T CB -0.605 68.373 68.868 0.183 0.000 0.871 1262 T HN 0.469 nan 8.240 nan 0.000 0.479 1263 K N 1.394 121.863 120.400 0.114 0.000 2.288 1263 K HA 0.054 4.374 4.320 -0.000 0.000 0.201 1263 K C 2.650 179.347 176.600 0.162 0.000 1.048 1263 K CA 1.256 57.593 56.287 0.083 0.000 0.956 1263 K CB -0.429 32.108 32.500 0.062 0.000 0.746 1263 K HN 0.649 nan 8.250 nan 0.000 0.461 1264 S N 0.571 116.384 115.700 0.189 0.000 2.446 1264 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 1264 S C 1.433 176.248 174.600 0.358 0.000 1.016 1264 S CA 0.566 58.906 58.200 0.234 0.000 0.943 1264 S CB 0.026 63.306 63.200 0.133 0.000 0.786 1264 S HN 0.060 nan 8.310 nan 0.000 0.508 1265 D N 1.768 122.387 120.400 0.365 0.000 2.144 1265 D HA -0.031 4.609 4.640 -0.000 0.000 0.199 1265 D C 2.018 178.657 176.300 0.566 0.000 0.984 1265 D CA 0.794 55.078 54.000 0.473 0.000 0.834 1265 D CB -0.423 40.688 40.800 0.520 0.000 0.955 1265 D HN 0.304 nan 8.370 nan 0.000 0.465 1266 V N 0.674 120.772 119.914 0.306 0.000 2.295 1266 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 1266 V C 2.187 178.495 176.094 0.357 0.000 1.049 1266 V CA 1.317 63.650 62.300 0.055 0.000 1.024 1266 V CB -0.445 31.220 31.823 -0.265 0.000 0.648 1266 V HN 0.400 nan 8.190 nan 0.000 0.447 1267 W N 0.945 122.392 121.300 0.244 0.000 2.321 1267 W HA -0.226 4.434 4.660 -0.000 0.000 0.306 1267 W C 2.476 179.280 176.519 0.475 0.000 1.217 1267 W CA 2.261 59.833 57.345 0.378 0.000 1.257 1267 W CB -0.589 29.057 29.460 0.310 0.000 1.145 1267 W HN 0.310 nan 8.180 nan 0.000 0.509 1268 S N 0.165 116.344 115.700 0.798 0.000 2.406 1268 S HA -0.170 4.300 4.470 -0.000 0.000 0.228 1268 S C 1.505 176.482 174.600 0.629 0.000 1.020 1268 S CA 1.219 59.855 58.200 0.725 0.000 0.965 1268 S CB -0.821 62.739 63.200 0.599 0.000 0.798 1268 S HN 0.328 nan 8.310 nan 0.000 0.488 1269 F N 2.600 122.814 119.950 0.440 0.000 2.234 1269 F HA 0.050 4.577 4.527 -0.000 0.000 0.299 1269 F C 2.154 178.121 175.800 0.277 0.000 1.087 1269 F CA 1.154 59.375 58.000 0.368 0.000 1.340 1269 F CB -0.804 38.497 39.000 0.502 0.000 1.031 1269 F HN 0.204 nan 8.300 nan 0.000 0.500 1270 G N 0.201 109.136 108.800 0.225 0.000 2.418 1270 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 1270 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 1270 G C 1.649 176.719 174.900 0.283 0.000 1.158 1270 G CA 1.299 46.359 45.100 -0.065 0.000 0.771 1270 G HN 0.343 nan 8.290 nan 0.000 0.545 1271 V N 0.883 121.106 119.914 0.514 0.000 2.358 1271 V HA -0.106 4.014 4.120 -0.000 0.000 0.246 1271 V C 2.662 178.947 176.094 0.320 0.000 1.047 1271 V CA 1.501 64.005 62.300 0.341 0.000 1.035 1271 V CB -0.617 31.213 31.823 0.013 0.000 0.658 1271 V HN 0.371 nan 8.190 nan 0.000 0.452 1272 L N -0.632 120.785 121.223 0.324 0.000 2.043 1272 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 1272 L C 2.374 179.290 176.870 0.077 0.000 1.075 1272 L CA 1.745 56.729 54.840 0.241 0.000 0.752 1272 L CB -0.245 41.906 42.059 0.154 0.000 0.891 1272 L HN 0.237 nan 8.230 nan 0.000 0.432 1273 L N -1.581 119.579 121.223 -0.106 0.000 2.017 1273 L HA -0.275 4.065 4.340 -0.000 0.000 0.208 1273 L C 2.371 179.288 176.870 0.079 0.000 1.073 1273 L CA 2.003 56.768 54.840 -0.125 0.000 0.745 1273 L CB -0.554 41.343 42.059 -0.271 0.000 0.894 1273 L HN 0.554 nan 8.230 nan 0.000 0.432 1274 W N 1.212 122.524 121.300 0.021 0.000 2.338 1274 W HA -0.234 4.426 4.660 -0.000 0.000 0.304 1274 W C 2.447 178.990 176.519 0.040 0.000 1.212 1274 W CA 1.801 59.189 57.345 0.072 0.000 1.264 1274 W CB -0.013 29.535 29.460 0.147 0.000 1.142 1274 W HN 0.129 nan 8.180 nan 0.000 0.512 1275 E N 0.013 120.429 120.200 0.360 0.000 2.058 1275 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 1275 E C 2.161 178.798 176.600 0.061 0.000 0.997 1275 E CA 1.956 58.500 56.400 0.241 0.000 0.801 1275 E CB -0.749 29.153 29.700 0.337 0.000 0.746 1275 E HN 0.362 nan 8.360 nan 0.000 0.450 1276 L N 0.239 121.497 121.223 0.058 0.000 2.017 1276 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 1276 L C 2.419 179.256 176.870 -0.055 0.000 1.073 1276 L CA 0.833 55.690 54.840 0.028 0.000 0.745 1276 L CB -0.343 41.747 42.059 0.051 0.000 0.894 1276 L HN 0.213 nan 8.230 nan 0.000 0.432 1277 M N -0.558 118.984 119.600 -0.097 0.000 2.619 1277 M HA -0.031 4.449 4.480 -0.000 0.000 0.251 1277 M C 1.972 178.193 176.300 -0.131 0.000 1.106 1277 M CA 1.178 56.407 55.300 -0.117 0.000 1.086 1277 M CB -1.446 31.093 32.600 -0.101 0.000 1.465 1277 M HN 0.399 nan 8.290 nan 0.000 0.506 1278 T N -3.669 110.730 114.554 -0.258 0.000 3.040 1278 T HA 0.246 4.596 4.350 -0.000 0.000 0.250 1278 T C 0.834 175.488 174.700 -0.076 0.000 1.058 1278 T CA -0.332 61.599 62.100 -0.281 0.000 0.988 1278 T CB 0.134 68.591 68.868 -0.685 0.000 0.993 1278 T HN 0.393 nan 8.240 nan 0.000 0.519 1279 R N 0.824 121.292 120.500 -0.053 0.000 3.332 1279 R HA -0.136 4.203 4.340 -0.000 0.000 0.263 1279 R C 0.947 177.263 176.300 0.026 0.000 1.053 1279 R CA 0.392 56.490 56.100 -0.004 0.000 0.705 1279 R CB -2.106 28.202 30.300 0.014 0.000 1.166 1279 R HN 0.974 nan 8.270 nan 0.000 0.427 1280 G N -1.798 107.024 108.800 0.036 0.000 2.132 1280 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.228 1280 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.228 1280 G C 0.240 175.204 174.900 0.106 0.000 1.000 1280 G CA 0.247 45.403 45.100 0.093 0.000 0.693 1280 G HN 0.867 nan 8.290 nan 0.000 0.515 1281 A N 0.562 123.416 122.820 0.056 0.000 2.425 1281 A HA 0.663 4.983 4.320 -0.000 0.000 0.242 1281 A C -1.154 176.585 177.584 0.259 0.000 1.077 1281 A CA -0.426 51.670 52.037 0.098 0.000 0.781 1281 A CB 0.290 19.278 19.000 -0.021 0.000 1.020 1281 A HN 0.327 nan 8.150 nan 0.000 0.494 1282 P HA 0.345 nan 4.420 nan 0.000 0.281 1282 P C -2.815 174.573 177.300 0.146 0.000 1.252 1282 P CA -1.421 61.802 63.100 0.205 0.000 0.778 1282 P CB 0.456 32.240 31.700 0.140 0.000 0.895 1283 P HA 0.177 nan 4.420 nan 0.000 0.279 1283 P C -0.828 176.193 177.300 -0.466 0.000 1.239 1283 P CA -0.231 62.469 63.100 -0.667 0.000 0.789 1283 P CB -0.018 31.061 31.700 -1.035 0.000 0.933 1284 Y N 1.018 121.014 120.300 -0.507 0.000 3.001 1284 Y HA -0.173 4.377 4.550 -0.000 0.000 0.187 1284 Y C -1.023 174.710 175.900 -0.280 0.000 1.462 1284 Y CA -0.176 57.669 58.100 -0.425 0.000 0.936 1284 Y CB -2.406 35.743 38.460 -0.517 0.000 1.337 1284 Y HN 0.473 nan 8.280 nan 0.000 0.428 1285 P HA -0.144 nan 4.420 nan 0.000 0.216 1285 P C 0.516 177.780 177.300 -0.060 0.000 1.153 1285 P CA 1.821 64.901 63.100 -0.032 0.000 0.848 1285 P CB 0.341 32.045 31.700 0.006 0.000 0.787 1286 D N 0.005 120.358 120.400 -0.080 0.000 2.491 1286 D HA 0.160 4.800 4.640 -0.000 0.000 0.228 1286 D C 0.007 176.216 176.300 -0.151 0.000 1.183 1286 D CA -0.033 53.918 54.000 -0.082 0.000 0.827 1286 D CB 0.747 41.526 40.800 -0.035 0.000 0.989 1286 D HN 0.067 nan 8.370 nan 0.000 0.494 1287 V N 0.505 120.278 119.914 -0.235 0.000 2.623 1287 V HA 0.295 4.415 4.120 -0.000 0.000 0.304 1287 V C -1.095 174.782 176.094 -0.361 0.000 1.054 1287 V CA -0.849 61.243 62.300 -0.346 0.000 0.882 1287 V CB 1.734 33.177 31.823 -0.633 0.000 1.002 1287 V HN -0.101 nan 8.190 nan 0.000 0.424 1288 N N 3.159 121.591 118.700 -0.447 0.000 2.444 1288 N HA 0.218 4.958 4.740 -0.000 0.000 0.255 1288 N C 1.478 176.583 175.510 -0.674 0.000 1.255 1288 N CA 0.464 53.130 53.050 -0.640 0.000 0.933 1288 N CB 1.024 38.849 38.487 -1.102 0.000 1.143 1288 N HN 0.882 nan 8.380 nan 0.000 0.453 1289 T N -1.833 112.420 114.554 -0.502 0.000 2.897 1289 T HA -0.203 4.147 4.350 -0.000 0.000 0.271 1289 T C 1.228 175.829 174.700 -0.164 0.000 1.084 1289 T CA 1.281 63.237 62.100 -0.240 0.000 1.123 1289 T CB -0.693 68.151 68.868 -0.040 0.000 0.865 1289 T HN 0.597 nan 8.240 nan 0.000 0.496 1290 F N 0.929 120.846 119.950 -0.054 0.000 2.530 1290 F HA 0.431 4.958 4.527 -0.000 0.000 0.292 1290 F C 1.270 177.036 175.800 -0.056 0.000 1.109 1290 F CA -0.344 57.627 58.000 -0.048 0.000 1.450 1290 F CB -0.370 38.611 39.000 -0.031 0.000 1.114 1290 F HN 0.012 nan 8.300 nan 0.000 0.560 1291 D N 0.970 121.218 120.400 -0.253 0.000 2.319 1291 D HA 0.049 4.688 4.640 -0.000 0.000 0.230 1291 D C 1.871 178.087 176.300 -0.139 0.000 1.094 1291 D CA 0.311 54.238 54.000 -0.121 0.000 0.856 1291 D CB 0.128 40.831 40.800 -0.162 0.000 0.915 1291 D HN 0.360 nan 8.370 nan 0.000 0.517 1292 I N 0.554 121.003 120.570 -0.202 0.000 2.286 1292 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 1292 I C 1.875 177.904 176.117 -0.146 0.000 1.104 1292 I CA 1.345 62.482 61.300 -0.271 0.000 1.397 1292 I CB -0.134 37.650 38.000 -0.361 0.000 1.072 1292 I HN -0.122 nan 8.210 nan 0.000 0.417 1293 T N 0.167 114.661 114.554 -0.099 0.000 2.777 1293 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 1293 T C 2.002 176.685 174.700 -0.028 0.000 1.040 1293 T CA 1.753 63.808 62.100 -0.075 0.000 1.141 1293 T CB -1.015 67.813 68.868 -0.067 0.000 0.868 1293 T HN 0.386 nan 8.240 nan 0.000 0.444 1294 V N -0.798 119.115 119.914 -0.002 0.000 2.515 1294 V HA -0.124 3.996 4.120 -0.000 0.000 0.250 1294 V C 2.147 178.255 176.094 0.023 0.000 1.058 1294 V CA 1.127 63.434 62.300 0.011 0.000 1.064 1294 V CB -1.287 30.549 31.823 0.023 0.000 0.675 1294 V HN 0.395 nan 8.190 nan 0.000 0.461 1295 Y N 1.217 121.459 120.300 -0.098 0.000 2.128 1295 Y HA -0.143 4.407 4.550 -0.000 0.000 0.284 1295 Y C 2.179 178.032 175.900 -0.079 0.000 1.154 1295 Y CA 2.448 60.486 58.100 -0.104 0.000 1.149 1295 Y CB -0.179 38.174 38.460 -0.179 0.000 0.976 1295 Y HN 0.279 nan 8.280 nan 0.000 0.505 1296 L N -0.982 120.272 121.223 0.051 0.000 2.179 1296 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 1296 L C 2.109 178.987 176.870 0.015 0.000 1.096 1296 L CA 0.687 55.553 54.840 0.044 0.000 0.779 1296 L CB -0.452 41.658 42.059 0.085 0.000 0.922 1296 L HN 0.188 nan 8.230 nan 0.000 0.443 1297 L N -0.706 120.513 121.223 -0.007 0.000 2.376 1297 L HA -0.130 4.210 4.340 -0.000 0.000 0.219 1297 L C 2.379 179.232 176.870 -0.029 0.000 1.133 1297 L CA 0.730 55.565 54.840 -0.008 0.000 0.816 1297 L CB -0.327 41.725 42.059 -0.012 0.000 0.933 1297 L HN 0.330 nan 8.230 nan 0.000 0.449 1298 Q N -0.249 119.508 119.800 -0.071 0.000 2.311 1298 Q HA 0.004 4.344 4.340 -0.000 0.000 0.203 1298 Q C 1.569 177.513 176.000 -0.094 0.000 0.954 1298 Q CA 0.827 56.569 55.803 -0.102 0.000 0.885 1298 Q CB 0.237 28.865 28.738 -0.185 0.000 0.963 1298 Q HN 0.582 nan 8.270 nan 0.000 0.471 1299 G N 0.924 109.675 108.800 -0.080 0.000 2.179 1299 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 1299 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 1299 G C -0.219 174.636 174.900 -0.075 0.000 0.990 1299 G CA -0.451 44.622 45.100 -0.045 0.000 0.646 1299 G HN 0.155 nan 8.290 nan 0.000 0.517 1300 R N 0.697 121.085 120.500 -0.188 0.000 2.347 1300 R HA 0.611 4.951 4.340 -0.000 0.000 0.304 1300 R C 0.363 176.643 176.300 -0.034 0.000 1.072 1300 R CA -0.211 55.752 56.100 -0.228 0.000 0.980 1300 R CB 0.571 30.430 30.300 -0.736 0.000 0.986 1300 R HN 0.078 nan 8.270 nan 0.000 0.448 1301 R N 2.059 122.579 120.500 0.034 0.000 2.919 1301 R HA 0.382 4.722 4.340 -0.000 0.000 0.260 1301 R C -0.200 176.083 176.300 -0.027 0.000 1.067 1301 R CA -1.330 54.764 56.100 -0.010 0.000 1.003 1301 R CB 0.764 31.081 30.300 0.029 0.000 1.192 1301 R HN 0.455 nan 8.270 nan 0.000 0.488 1302 L N 2.212 123.198 121.223 -0.396 0.000 2.559 1302 L HA 0.045 4.385 4.340 -0.000 0.000 0.274 1302 L C 0.635 177.593 176.870 0.148 0.000 1.205 1302 L CA 0.188 54.723 54.840 -0.508 0.000 0.907 1302 L CB -0.048 41.168 42.059 -1.406 0.000 1.153 1302 L HN 0.264 nan 8.230 nan 0.000 0.490 1303 L N 3.235 124.587 121.223 0.215 0.000 2.476 1303 L HA 0.039 4.379 4.340 -0.000 0.000 0.264 1303 L C 0.763 177.748 176.870 0.192 0.000 1.224 1303 L CA 0.139 55.120 54.840 0.235 0.000 0.821 1303 L CB 0.233 42.378 42.059 0.143 0.000 1.101 1303 L HN 0.613 nan 8.230 nan 0.000 0.488 1304 Q N 2.492 122.071 119.800 -0.368 0.000 2.289 1304 Q HA 0.163 4.503 4.340 -0.000 0.000 0.273 1304 Q C -2.209 173.610 176.000 -0.302 0.000 1.029 1304 Q CA -1.487 53.848 55.803 -0.781 0.000 0.896 1304 Q CB 0.884 28.902 28.738 -1.200 0.000 1.182 1304 Q HN 0.251 nan 8.270 nan 0.000 0.385 1305 P HA -0.036 nan 4.420 nan 0.000 0.269 1305 P C 0.065 177.236 177.300 -0.215 0.000 1.215 1305 P CA -0.100 62.806 63.100 -0.322 0.000 0.780 1305 P CB 0.646 32.082 31.700 -0.439 0.000 0.898 1306 E N 0.595 120.670 120.200 -0.209 0.000 2.118 1306 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 1306 E C 1.242 177.713 176.600 -0.214 0.000 0.992 1306 E CA 1.753 58.017 56.400 -0.227 0.000 0.804 1306 E CB -0.382 29.129 29.700 -0.316 0.000 0.741 1306 E HN 0.607 nan 8.360 nan 0.000 0.458 1307 Y N -0.295 119.925 120.300 -0.132 0.000 2.490 1307 Y HA 0.050 4.600 4.550 -0.000 0.000 0.281 1307 Y C 1.080 176.918 175.900 -0.104 0.000 1.174 1307 Y CA -0.409 57.628 58.100 -0.104 0.000 1.295 1307 Y CB 0.558 38.951 38.460 -0.112 0.000 1.062 1307 Y HN -0.018 nan 8.280 nan 0.000 0.522 1308 C N 4.403 123.716 119.300 0.021 0.000 2.325 1308 C HA 0.363 4.823 4.460 -0.000 0.000 0.347 1308 C C -2.025 172.988 174.990 0.038 0.000 1.263 1308 C CA -2.604 56.419 59.018 0.007 0.000 1.806 1308 C CB -0.354 27.371 27.740 -0.025 0.000 2.405 1308 C HN 0.151 nan 8.230 nan 0.000 0.537 1309 P HA 0.181 nan 4.420 nan 0.000 0.271 1309 P C 0.093 177.479 177.300 0.144 0.000 1.216 1309 P CA 0.345 63.540 63.100 0.157 0.000 0.776 1309 P CB 0.787 32.661 31.700 0.290 0.000 0.881 1310 D N 3.666 124.145 120.400 0.132 0.000 2.116 1310 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 1310 D C -0.686 175.699 176.300 0.140 0.000 0.998 1310 D CA 1.876 55.961 54.000 0.141 0.000 0.836 1310 D CB -1.846 39.016 40.800 0.103 0.000 0.951 1310 D HN 0.455 nan 8.370 nan 0.000 0.449 1311 P HA -0.140 nan 4.420 nan 0.000 0.218 1311 P C 1.579 178.932 177.300 0.088 0.000 1.148 1311 P CA 0.853 64.009 63.100 0.094 0.000 0.822 1311 P CB 0.104 31.864 31.700 0.101 0.000 0.784 1312 L N -2.029 119.262 121.223 0.114 0.000 2.240 1312 L HA -0.044 4.296 4.340 -0.000 0.000 0.211 1312 L C 2.593 179.513 176.870 0.083 0.000 1.106 1312 L CA 1.255 56.146 54.840 0.085 0.000 0.793 1312 L CB -1.265 40.841 42.059 0.079 0.000 0.927 1312 L HN -0.186 nan 8.230 nan 0.000 0.446 1313 Y N 0.570 120.858 120.300 -0.020 0.000 2.242 1313 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 1313 Y C 2.332 178.179 175.900 -0.088 0.000 1.137 1313 Y CA 1.571 59.648 58.100 -0.038 0.000 1.181 1313 Y CB -0.059 38.410 38.460 0.015 0.000 0.989 1313 Y HN 0.293 nan 8.280 nan 0.000 0.527 1314 E N -0.579 119.558 120.200 -0.105 0.000 2.153 1314 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 1314 E C 2.423 178.894 176.600 -0.216 0.000 0.988 1314 E CA 1.330 57.617 56.400 -0.188 0.000 0.811 1314 E CB -0.572 29.091 29.700 -0.061 0.000 0.746 1314 E HN 0.404 nan 8.360 nan 0.000 0.466 1315 V N 1.564 121.384 119.914 -0.156 0.000 2.427 1315 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 1315 V C 2.447 178.334 176.094 -0.345 0.000 1.051 1315 V CA 1.612 63.816 62.300 -0.161 0.000 1.048 1315 V CB -0.546 31.244 31.823 -0.054 0.000 0.666 1315 V HN 0.229 nan 8.190 nan 0.000 0.456 1316 M N -0.480 118.821 119.600 -0.499 0.000 2.086 1316 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 1316 M C 2.193 177.652 176.300 -1.402 0.000 1.067 1316 M CA 1.995 56.684 55.300 -1.019 0.000 1.116 1316 M CB -0.540 31.495 32.600 -0.943 0.000 1.348 1316 M HN 0.265 nan 8.290 nan 0.000 0.407 1317 L N -0.321 120.341 121.223 -0.935 0.000 2.141 1317 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 1317 L C 2.416 178.893 176.870 -0.654 0.000 1.094 1317 L CA 1.135 55.561 54.840 -0.689 0.000 0.763 1317 L CB -0.669 41.064 42.059 -0.542 0.000 0.908 1317 L HN 0.255 nan 8.230 nan 0.000 0.437 1318 K N -0.387 119.751 120.400 -0.437 0.000 2.057 1318 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 1318 K C 2.142 178.636 176.600 -0.178 0.000 1.049 1318 K CA 1.579 57.783 56.287 -0.137 0.000 0.931 1318 K CB -0.327 32.144 32.500 -0.050 0.000 0.714 1318 K HN 0.364 nan 8.250 nan 0.000 0.440 1319 C N -0.332 118.725 119.300 -0.406 0.000 2.422 1319 C HA -0.077 4.383 4.460 -0.000 0.000 0.286 1319 C C 1.255 176.039 174.990 -0.343 0.000 1.412 1319 C CA 0.076 58.872 59.018 -0.369 0.000 1.786 1319 C CB -0.814 26.635 27.740 -0.484 0.000 1.835 1319 C HN 0.570 nan 8.230 nan 0.000 0.533 1320 W N -0.262 120.718 121.300 -0.534 0.000 2.966 1320 W HA 0.311 4.971 4.660 -0.000 0.000 0.406 1320 W C 0.591 176.830 176.519 -0.467 0.000 1.027 1320 W CA -0.907 55.859 57.345 -0.965 0.000 1.930 1320 W CB -1.309 27.465 29.460 -1.143 0.000 1.144 1320 W HN 0.400 nan 8.180 nan 0.000 0.626 1321 H N 2.681 121.791 119.070 0.065 0.000 2.848 1321 H HA 0.020 4.576 4.556 -0.000 0.000 0.341 1321 H C -1.072 174.418 175.328 0.271 0.000 1.060 1321 H CA -0.640 55.486 56.048 0.129 0.000 1.444 1321 H CB 0.846 30.643 29.762 0.058 0.000 1.446 1321 H HN -0.146 nan 8.280 nan 0.000 0.583 1322 P HA -0.139 nan 4.420 nan 0.000 0.215 1322 P C 0.260 177.681 177.300 0.202 0.000 1.153 1322 P CA 1.208 64.489 63.100 0.301 0.000 0.853 1322 P CB 0.507 32.326 31.700 0.198 0.000 0.788 1323 K N 0.086 120.582 120.400 0.160 0.000 2.349 1323 K HA 0.309 4.629 4.320 -0.000 0.000 0.289 1323 K C 1.436 178.102 176.600 0.111 0.000 1.064 1323 K CA -0.154 56.190 56.287 0.096 0.000 0.947 1323 K CB 0.572 33.101 32.500 0.049 0.000 1.007 1323 K HN -0.096 nan 8.250 nan 0.000 0.478 1324 A N 4.459 127.335 122.820 0.094 0.000 1.927 1324 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 1324 A C 1.688 179.311 177.584 0.064 0.000 1.185 1324 A CA 1.795 53.889 52.037 0.094 0.000 0.639 1324 A CB -0.291 18.746 19.000 0.061 0.000 0.820 1324 A HN 0.876 nan 8.150 nan 0.000 0.451 1325 E N 0.036 120.258 120.200 0.036 0.000 2.268 1325 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 1325 E C 1.833 178.434 176.600 0.001 0.000 0.995 1325 E CA 1.227 57.635 56.400 0.013 0.000 0.836 1325 E CB -0.663 29.039 29.700 0.004 0.000 0.763 1325 E HN 0.767 nan 8.360 nan 0.000 0.491 1326 M N 0.699 120.301 119.600 0.004 0.000 2.319 1326 M HA 0.002 4.482 4.480 -0.000 0.000 0.265 1326 M C 1.119 177.419 176.300 -0.001 0.000 1.068 1326 M CA 0.756 56.034 55.300 -0.037 0.000 1.118 1326 M CB -0.101 32.438 32.600 -0.103 0.000 1.395 1326 M HN -0.102 nan 8.290 nan 0.000 0.435 1327 R N 0.948 121.478 120.500 0.049 0.000 2.694 1327 R HA 0.168 4.508 4.340 -0.000 0.000 0.268 1327 R C -2.344 173.936 176.300 -0.033 0.000 1.061 1327 R CA -1.510 54.615 56.100 0.041 0.000 1.133 1327 R CB -0.485 29.855 30.300 0.066 0.000 1.020 1327 R HN -0.049 nan 8.270 nan 0.000 0.475 1328 P HA 0.017 nan 4.420 nan 0.000 0.274 1328 P C -0.602 176.583 177.300 -0.192 0.000 1.237 1328 P CA -0.428 62.606 63.100 -0.110 0.000 0.793 1328 P CB 0.862 32.497 31.700 -0.108 0.000 0.977 1329 S N 0.460 116.068 115.700 -0.152 0.000 2.603 1329 S HA 0.232 4.702 4.470 -0.000 0.000 0.268 1329 S C 0.840 175.301 174.600 -0.231 0.000 1.317 1329 S CA -0.222 57.874 58.200 -0.174 0.000 1.012 1329 S CB -0.147 63.017 63.200 -0.060 0.000 0.926 1329 S HN 0.185 nan 8.310 nan 0.000 0.539 1330 F N 1.214 121.103 119.950 -0.103 0.000 2.216 1330 F HA -0.025 4.502 4.527 -0.000 0.000 0.300 1330 F C 2.863 178.585 175.800 -0.131 0.000 1.085 1330 F CA 1.347 59.238 58.000 -0.182 0.000 1.326 1330 F CB -0.937 37.937 39.000 -0.210 0.000 1.027 1330 F HN 0.577 nan 8.300 nan 0.000 0.497 1331 S N -0.451 115.296 115.700 0.078 0.000 2.382 1331 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 1331 S C 1.911 176.523 174.600 0.020 0.000 1.027 1331 S CA 1.302 59.527 58.200 0.042 0.000 0.991 1331 S CB -0.320 62.900 63.200 0.033 0.000 0.823 1331 S HN 0.445 nan 8.310 nan 0.000 0.469 1332 E N 0.702 120.899 120.200 -0.005 0.000 2.150 1332 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 1332 E C 1.939 178.538 176.600 -0.002 0.000 0.985 1332 E CA 0.736 57.130 56.400 -0.010 0.000 0.814 1332 E CB -0.165 29.517 29.700 -0.031 0.000 0.752 1332 E HN 0.411 nan 8.360 nan 0.000 0.466 1333 L N 0.055 121.267 121.223 -0.018 0.000 2.072 1333 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 1333 L C 2.393 179.295 176.870 0.054 0.000 1.079 1333 L CA 0.520 55.367 54.840 0.012 0.000 0.752 1333 L CB -0.279 41.745 42.059 -0.059 0.000 0.906 1333 L HN 0.049 nan 8.230 nan 0.000 0.436 1334 V N -0.066 119.873 119.914 0.041 0.000 2.255 1334 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 1334 V C 2.779 178.906 176.094 0.054 0.000 1.051 1334 V CA 2.266 64.594 62.300 0.047 0.000 1.018 1334 V CB -0.695 31.150 31.823 0.036 0.000 0.641 1334 V HN 0.669 nan 8.190 nan 0.000 0.445 1335 S N 0.185 115.913 115.700 0.047 0.000 2.383 1335 S HA -0.268 4.202 4.470 -0.000 0.000 0.227 1335 S C 2.123 176.759 174.600 0.060 0.000 1.026 1335 S CA 1.795 60.025 58.200 0.050 0.000 0.981 1335 S CB -0.436 62.787 63.200 0.038 0.000 0.818 1335 S HN 0.574 nan 8.310 nan 0.000 0.472 1336 R N 0.700 121.235 120.500 0.057 0.000 2.061 1336 R HA 0.124 4.464 4.340 -0.000 0.000 0.230 1336 R C 2.412 178.768 176.300 0.094 0.000 1.140 1336 R CA 1.681 57.819 56.100 0.064 0.000 0.940 1336 R CB -0.505 29.824 30.300 0.048 0.000 0.839 1336 R HN 0.514 nan 8.270 nan 0.000 0.429 1337 I N 0.593 121.229 120.570 0.110 0.000 2.264 1337 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 1337 I C 2.583 178.798 176.117 0.164 0.000 1.111 1337 I CA 1.430 62.813 61.300 0.138 0.000 1.382 1337 I CB -0.320 37.775 38.000 0.159 0.000 1.060 1337 I HN 0.320 nan 8.210 nan 0.000 0.418 1338 S N 0.731 116.512 115.700 0.134 0.000 2.370 1338 S HA -0.242 4.228 4.470 -0.000 0.000 0.226 1338 S C 2.223 176.961 174.600 0.230 0.000 1.033 1338 S CA 1.554 59.859 58.200 0.175 0.000 1.011 1338 S CB -0.235 63.033 63.200 0.114 0.000 0.852 1338 S HN 0.479 nan 8.310 nan 0.000 0.457 1339 A N 1.301 124.216 122.820 0.158 0.000 1.933 1339 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 1339 A C 2.137 179.811 177.584 0.150 0.000 1.175 1339 A CA 1.512 53.626 52.037 0.128 0.000 0.628 1339 A CB -0.717 18.336 19.000 0.087 0.000 0.814 1339 A HN 0.662 nan 8.150 nan 0.000 0.444 1340 I N -1.966 118.719 120.570 0.192 0.000 2.202 1340 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 1340 I C 2.360 178.703 176.117 0.376 0.000 1.091 1340 I CA 1.471 62.923 61.300 0.252 0.000 1.368 1340 I CB -0.482 37.667 38.000 0.250 0.000 1.058 1340 I HN 0.415 nan 8.210 nan 0.000 0.410 1341 F N 2.149 122.208 119.950 0.182 0.000 2.120 1341 F HA -0.266 4.261 4.527 -0.000 0.000 0.300 1341 F C 2.546 178.451 175.800 0.176 0.000 1.095 1341 F CA 1.867 59.962 58.000 0.158 0.000 1.249 1341 F CB -0.350 38.688 39.000 0.062 0.000 0.995 1341 F HN -0.059 nan 8.300 nan 0.000 0.480 1342 S N -0.621 115.126 115.700 0.078 0.000 2.447 1342 S HA -0.167 4.303 4.470 -0.000 0.000 0.233 1342 S C 1.969 176.513 174.600 -0.092 0.000 1.006 1342 S CA 1.386 59.549 58.200 -0.061 0.000 0.957 1342 S CB -0.920 62.308 63.200 0.046 0.000 0.773 1342 S HN 0.692 nan 8.310 nan 0.000 0.507 1343 T N -0.753 113.770 114.554 -0.051 0.000 3.055 1343 T HA 0.154 4.504 4.350 -0.000 0.000 0.265 1343 T C 0.316 174.813 174.700 -0.338 0.000 1.111 1343 T CA 0.222 62.209 62.100 -0.188 0.000 1.118 1343 T CB -0.439 68.285 68.868 -0.240 0.000 0.909 1343 T HN 0.138 nan 8.240 nan 0.000 0.501 1344 F N 2.064 121.899 119.950 -0.192 0.000 2.379 1344 F HA 0.603 5.130 4.527 -0.000 0.000 0.332 1344 F C 0.392 176.039 175.800 -0.254 0.000 1.096 1344 F CA -1.840 56.038 58.000 -0.202 0.000 1.105 1344 F CB 1.040 39.922 39.000 -0.196 0.000 1.189 1344 F HN 0.128 nan 8.300 nan 0.000 0.515 1345 I N -0.199 120.359 120.570 -0.019 0.000 2.646 1345 I HA 0.966 5.136 4.170 -0.000 0.000 0.299 1345 I C -0.074 175.999 176.117 -0.073 0.000 1.036 1345 I CA -1.023 60.227 61.300 -0.082 0.000 1.074 1345 I CB 2.006 39.952 38.000 -0.089 0.000 1.258 1345 I HN 0.731 nan 8.210 nan 0.000 0.430 1346 G N 2.842 111.564 108.800 -0.130 0.000 2.798 1346 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.658 1346 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.658 1346 G C -1.105 173.629 174.900 -0.277 0.000 1.148 1346 G CA -0.760 44.226 45.100 -0.190 0.000 1.200 1346 G HN 0.877 nan 8.290 nan 0.000 0.519 1347 E N 0.359 120.385 120.200 -0.290 0.000 2.199 1347 E HA 0.483 4.833 4.350 -0.000 0.000 0.265 1347 E C 0.551 176.932 176.600 -0.366 0.000 0.882 1347 E CA -0.874 55.345 56.400 -0.300 0.000 0.759 1347 E CB 1.420 31.017 29.700 -0.171 0.000 1.148 1347 E HN 0.667 nan 8.360 nan 0.000 0.412 1348 H N 1.685 120.546 119.070 -0.350 0.000 2.562 1348 H HA 0.098 4.654 4.556 -0.000 0.000 0.267 1348 H C -0.436 174.312 175.328 -0.966 0.000 0.959 1348 H CA 0.361 56.024 56.048 -0.642 0.000 1.204 1348 H CB 0.526 29.815 29.762 -0.788 0.000 1.430 1348 H HN 0.397 nan 8.280 nan 0.000 0.545 1349 Y N 1.196 121.358 120.300 -0.229 0.000 2.488 1349 Y HA 0.283 4.833 4.550 -0.000 0.000 0.330 1349 Y C -0.264 175.416 175.900 -0.367 0.000 1.013 1349 Y CA -1.264 56.510 58.100 -0.543 0.000 1.304 1349 Y CB 1.050 39.216 38.460 -0.490 0.000 1.098 1349 Y HN -0.124 nan 8.280 nan 0.000 0.498 1350 V N -0.971 118.834 119.914 -0.181 0.000 2.863 1350 V HA 0.972 5.092 4.120 -0.000 0.000 0.307 1350 V C 0.356 176.489 176.094 0.066 0.000 1.061 1350 V CA 0.602 62.881 62.300 -0.035 0.000 1.024 1350 V CB 0.621 32.432 31.823 -0.018 0.000 1.049 1350 V HN 1.301 nan 8.190 nan 0.000 0.471 1351 H N 0.000 119.121 119.070 0.084 0.000 2.539 1351 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1351 H CA 0.000 56.110 56.048 0.104 0.000 1.023 1351 H CB 0.000 29.837 29.762 0.125 0.000 1.292 1351 H HN 0.000 nan 8.280 nan 0.000 0.496