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 2ny0_1_B DATA FIRST_RESID 1001 DATA SEQUENCE KKVVLGKKGD TVELTcTASQ KKSIQFHWKN SNQIKILGNQ GSFLTKGPSK DATA SEQUENCE LNDRADSRRS LWDQGNFPLI IKNLKIEDSD TYIcEVEDQK EEVQLLVFGL DATA SEQUENCE TANSDTHLLQ GQSLTLTLES PPGSSPSVQc RSPRGKNIQG GKTLSVSQLE DATA SEQUENCE LQDSGTWTcT VLQNQKKVEF KIDIVVLAFQ K 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 1001 K HA 0.000 nan 4.320 nan 0.000 0.191 1001 K C 0.000 176.634 176.600 0.057 0.000 0.988 1001 K CA 0.000 56.316 56.287 0.048 0.000 0.838 1001 K CB 0.000 32.527 32.500 0.046 0.000 1.064 1002 K N 3.030 123.472 120.400 0.069 0.000 2.349 1002 K HA 0.268 4.588 4.320 -0.000 0.000 0.288 1002 K C -0.487 176.166 176.600 0.088 0.000 1.058 1002 K CA -0.363 55.971 56.287 0.078 0.000 0.953 1002 K CB 1.394 33.950 32.500 0.092 0.000 0.997 1002 K HN 0.346 nan 8.250 nan 0.000 0.477 1003 V N 3.782 123.744 119.914 0.081 0.000 2.448 1003 V HA 0.384 4.503 4.120 -0.000 0.000 0.295 1003 V C -0.146 176.000 176.094 0.086 0.000 1.025 1003 V CA -1.008 61.345 62.300 0.088 0.000 0.859 1003 V CB 1.993 33.867 31.823 0.085 0.000 0.988 1003 V HN 0.346 nan 8.190 nan 0.000 0.431 1004 V N 5.948 125.916 119.914 0.091 0.000 2.540 1004 V HA 0.496 4.616 4.120 -0.000 0.000 0.302 1004 V C -0.318 175.830 176.094 0.090 0.000 1.035 1004 V CA -0.544 61.801 62.300 0.076 0.000 0.873 1004 V CB 1.962 33.817 31.823 0.054 0.000 0.992 1004 V HN 0.652 nan 8.190 nan 0.000 0.428 1005 L N 4.229 125.513 121.223 0.101 0.000 2.289 1005 L HA 0.781 5.121 4.340 -0.000 0.000 0.285 1005 L C 0.733 177.665 176.870 0.103 0.000 1.049 1005 L CA -0.152 54.783 54.840 0.158 0.000 0.804 1005 L CB 1.508 43.695 42.059 0.214 0.000 1.195 1005 L HN 0.775 nan 8.230 nan 0.000 0.428 1006 G N 2.376 111.240 108.800 0.108 0.000 2.489 1006 G HA2 0.604 4.563 3.960 -0.000 0.000 0.327 1006 G HA3 0.604 4.563 3.960 -0.000 0.000 0.327 1006 G C -1.126 173.838 174.900 0.106 0.000 1.189 1006 G CA -0.608 44.525 45.100 0.055 0.000 0.962 1006 G HN 0.485 nan 8.290 nan 0.000 0.486 1007 K N 0.798 121.223 120.400 0.043 0.000 2.274 1007 K HA 0.255 4.575 4.320 -0.000 0.000 0.262 1007 K C -0.051 176.627 176.600 0.129 0.000 0.961 1007 K CA -0.737 55.606 56.287 0.094 0.000 0.833 1007 K CB 2.337 34.753 32.500 -0.139 0.000 1.102 1007 K HN 0.479 nan 8.250 nan 0.000 0.436 1008 K N 1.406 121.934 120.400 0.212 0.000 2.466 1008 K HA -0.099 4.221 4.320 -0.000 0.000 0.278 1008 K C 0.653 177.313 176.600 0.101 0.000 1.048 1008 K CA 1.462 57.828 56.287 0.130 0.000 1.088 1008 K CB -0.041 32.537 32.500 0.130 0.000 0.884 1008 K HN 0.862 nan 8.250 nan 0.000 0.478 1009 G N 3.081 111.914 108.800 0.055 0.000 2.217 1009 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.246 1009 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.246 1009 G C 0.112 175.026 174.900 0.023 0.000 0.990 1009 G CA 0.308 45.431 45.100 0.039 0.000 0.627 1009 G HN 0.709 nan 8.290 nan 0.000 0.522 1010 D N 0.223 120.634 120.400 0.020 0.000 2.478 1010 D HA 0.690 5.330 4.640 -0.000 0.000 0.269 1010 D C 0.613 176.902 176.300 -0.019 0.000 1.232 1010 D CA 0.468 54.465 54.000 -0.004 0.000 1.059 1010 D CB 0.816 41.605 40.800 -0.018 0.000 1.104 1010 D HN 0.076 nan 8.370 nan 0.000 0.566 1011 T N -0.232 114.303 114.554 -0.031 0.000 2.888 1011 T HA 0.565 4.915 4.350 -0.000 0.000 0.284 1011 T C -0.830 173.837 174.700 -0.056 0.000 1.017 1011 T CA -0.585 61.488 62.100 -0.045 0.000 1.022 1011 T CB 1.704 70.547 68.868 -0.042 0.000 1.013 1011 T HN 0.103 nan 8.240 nan 0.000 0.465 1012 V N 1.540 121.409 119.914 -0.077 0.000 2.962 1012 V HA 0.683 4.803 4.120 -0.000 0.000 0.313 1012 V C -1.378 174.649 176.094 -0.113 0.000 1.099 1012 V CA -0.850 61.398 62.300 -0.086 0.000 0.971 1012 V CB 2.152 33.919 31.823 -0.094 0.000 1.028 1012 V HN 0.976 nan 8.190 nan 0.000 0.430 1013 E N 4.684 124.825 120.200 -0.099 0.000 2.216 1013 E HA 0.539 4.889 4.350 -0.000 0.000 0.260 1013 E C -1.714 174.821 176.600 -0.108 0.000 0.880 1013 E CA -0.593 55.741 56.400 -0.108 0.000 0.765 1013 E CB 1.519 31.180 29.700 -0.064 0.000 1.174 1013 E HN 0.693 nan 8.360 nan 0.000 0.417 1014 L N 4.154 125.261 121.223 -0.192 0.000 2.282 1014 L HA 0.417 4.757 4.340 -0.000 0.000 0.288 1014 L C 0.486 177.375 176.870 0.032 0.000 1.033 1014 L CA -0.849 53.903 54.840 -0.147 0.000 0.807 1014 L CB 1.446 43.252 42.059 -0.420 0.000 1.209 1014 L HN 0.617 nan 8.230 nan 0.000 0.423 1015 T N -0.696 113.966 114.554 0.180 0.000 2.909 1015 T HA 0.478 4.828 4.350 -0.000 0.000 0.286 1015 T C -0.444 174.477 174.700 0.368 0.000 1.002 1015 T CA -0.658 61.575 62.100 0.222 0.000 1.074 1015 T CB 1.691 70.625 68.868 0.110 0.000 0.984 1015 T HN 0.652 nan 8.240 nan 0.000 0.495 1016 c N 3.223 121.987 118.600 0.274 0.000 2.607 1016 c HA 0.687 5.257 4.570 -0.000 0.000 0.350 1016 c C -0.542 173.589 174.090 0.069 0.000 1.101 1016 c CA -0.266 56.160 56.329 0.162 0.000 1.282 1016 c CB 0.366 42.943 42.510 0.112 0.000 1.825 1016 c HN 1.116 nan 8.230 nan 0.000 0.460 1017 T N 4.739 119.318 114.554 0.043 0.000 2.812 1017 T HA 0.707 5.057 4.350 -0.000 0.000 0.282 1017 T C 0.162 174.898 174.700 0.059 0.000 0.990 1017 T CA -0.200 61.895 62.100 -0.008 0.000 0.960 1017 T CB 1.610 70.466 68.868 -0.020 0.000 0.948 1017 T HN 1.053 nan 8.240 nan 0.000 0.438 1018 A N 1.839 124.721 122.820 0.103 0.000 2.287 1018 A HA 0.574 4.894 4.320 -0.000 0.000 0.273 1018 A C 1.257 178.876 177.584 0.058 0.000 1.091 1018 A CA -0.615 51.512 52.037 0.151 0.000 0.817 1018 A CB 0.256 19.438 19.000 0.303 0.000 1.069 1018 A HN 0.752 nan 8.150 nan 0.000 0.492 1019 S N -0.337 115.393 115.700 0.050 0.000 2.603 1019 S HA 0.063 4.533 4.470 -0.000 0.000 0.220 1019 S C 0.444 175.059 174.600 0.024 0.000 0.967 1019 S CA 0.658 58.874 58.200 0.027 0.000 0.920 1019 S CB -0.427 62.785 63.200 0.020 0.000 0.773 1019 S HN 0.735 nan 8.310 nan 0.000 0.529 1020 Q N 0.040 119.862 119.800 0.037 0.000 2.397 1020 Q HA 0.456 4.796 4.340 -0.000 0.000 0.275 1020 Q C -1.442 174.576 176.000 0.030 0.000 1.090 1020 Q CA -1.028 54.794 55.803 0.032 0.000 0.809 1020 Q CB 1.215 29.976 28.738 0.039 0.000 1.362 1020 Q HN -0.086 nan 8.270 nan 0.000 0.431 1021 K N 1.999 122.409 120.400 0.017 0.000 2.737 1021 K HA 0.163 4.482 4.320 -0.000 0.000 0.251 1021 K C -0.599 176.020 176.600 0.031 0.000 1.280 1021 K CA 0.031 56.323 56.287 0.008 0.000 1.219 1021 K CB -0.037 32.462 32.500 -0.001 0.000 1.587 1021 K HN 0.415 nan 8.250 nan 0.000 0.279 1022 K N 0.172 120.609 120.400 0.062 0.000 2.536 1022 K HA 0.197 4.516 4.320 -0.000 0.000 0.269 1022 K C -1.204 175.501 176.600 0.174 0.000 0.965 1022 K CA -0.599 55.744 56.287 0.094 0.000 0.860 1022 K CB 2.112 34.659 32.500 0.078 0.000 1.423 1022 K HN 0.034 nan 8.250 nan 0.000 0.438 1023 S N 3.377 119.195 115.700 0.197 0.000 2.400 1023 S HA 0.385 4.854 4.470 -0.000 0.000 0.295 1023 S C -0.085 174.639 174.600 0.206 0.000 1.113 1023 S CA -0.673 57.712 58.200 0.308 0.000 1.064 1023 S CB -0.754 62.639 63.200 0.322 0.000 0.990 1023 S HN 0.441 nan 8.310 nan 0.000 0.502 1024 I N 2.206 122.883 120.570 0.179 0.000 3.522 1024 I HA 0.601 4.771 4.170 -0.000 0.000 0.292 1024 I C -0.171 175.828 176.117 -0.196 0.000 1.147 1024 I CA -1.340 59.957 61.300 -0.005 0.000 1.032 1024 I CB 0.975 38.977 38.000 0.002 0.000 1.337 1024 I HN 0.440 nan 8.210 nan 0.000 0.496 1025 Q N 1.152 120.839 119.800 -0.188 0.000 2.304 1025 Q HA 0.446 4.786 4.340 -0.000 0.000 0.260 1025 Q C -1.463 174.352 176.000 -0.309 0.000 0.965 1025 Q CA -0.307 55.349 55.803 -0.246 0.000 0.898 1025 Q CB 0.677 29.319 28.738 -0.160 0.000 1.196 1025 Q HN 0.589 nan 8.270 nan 0.000 0.402 1026 F N 1.002 120.607 119.950 -0.575 0.000 2.629 1026 F HA 0.699 5.226 4.527 -0.000 0.000 0.316 1026 F C -1.709 173.916 175.800 -0.292 0.000 1.081 1026 F CA -1.045 56.624 58.000 -0.552 0.000 0.954 1026 F CB 1.557 40.003 39.000 -0.925 0.000 1.337 1026 F HN 0.630 nan 8.300 nan 0.000 0.474 1027 H N -0.123 118.753 119.070 -0.323 0.000 3.129 1027 H HA 0.346 4.901 4.556 -0.000 0.000 0.342 1027 H C -2.290 172.993 175.328 -0.075 0.000 1.092 1027 H CA -0.788 55.097 56.048 -0.272 0.000 1.310 1027 H CB 1.301 30.932 29.762 -0.219 0.000 1.932 1027 H HN 0.776 nan 8.280 nan 0.000 0.507 1028 W N 4.543 125.920 121.300 0.128 0.000 2.390 1028 W HA 0.499 5.159 4.660 -0.001 0.000 0.312 1028 W C -0.352 176.320 176.519 0.255 0.000 1.123 1028 W CA -0.390 57.083 57.345 0.213 0.000 1.202 1028 W CB 1.120 30.698 29.460 0.196 0.000 1.251 1028 W HN 0.361 nan 8.180 nan 0.000 0.511 1029 K N 2.079 122.738 120.400 0.432 0.000 2.378 1029 K HA 0.415 4.734 4.320 -0.000 0.000 0.244 1029 K C -0.148 176.618 176.600 0.277 0.000 1.039 1029 K CA -1.126 55.340 56.287 0.299 0.000 0.863 1029 K CB 1.382 33.970 32.500 0.148 0.000 1.326 1029 K HN 0.449 nan 8.250 nan 0.000 0.460 1030 N N -1.344 117.423 118.700 0.112 0.000 2.725 1030 N HA 0.072 4.812 4.740 -0.000 0.000 0.312 1030 N C 0.645 176.098 175.510 -0.096 0.000 1.295 1030 N CA -0.431 52.549 53.050 -0.116 0.000 0.914 1030 N CB 0.111 38.455 38.487 -0.239 0.000 1.177 1030 N HN 0.484 nan 8.380 nan 0.000 0.601 1031 S N -1.249 114.353 115.700 -0.163 0.000 2.419 1031 S HA -0.094 4.376 4.470 -0.000 0.000 0.233 1031 S C 0.733 175.301 174.600 -0.054 0.000 1.016 1031 S CA 0.691 58.836 58.200 -0.091 0.000 0.974 1031 S CB -0.600 62.540 63.200 -0.099 0.000 0.786 1031 S HN 0.589 nan 8.310 nan 0.000 0.492 1032 N N 1.266 119.934 118.700 -0.053 0.000 2.314 1032 N HA 0.123 4.863 4.740 -0.000 0.000 0.200 1032 N C -0.144 175.356 175.510 -0.016 0.000 1.135 1032 N CA 0.212 53.245 53.050 -0.030 0.000 0.835 1032 N CB 0.016 38.487 38.487 -0.027 0.000 0.989 1032 N HN 0.318 nan 8.380 nan 0.000 0.478 1033 Q N -0.694 119.099 119.800 -0.012 0.000 2.452 1033 Q HA -0.187 4.153 4.340 -0.000 0.000 0.248 1033 Q C -0.214 175.791 176.000 0.009 0.000 0.874 1033 Q CA 0.679 56.480 55.803 -0.002 0.000 1.208 1033 Q CB -2.011 26.718 28.738 -0.015 0.000 1.569 1033 Q HN 0.513 nan 8.270 nan 0.000 0.579 1034 I N 1.560 122.144 120.570 0.024 0.000 2.496 1034 I HA 0.021 4.191 4.170 -0.000 0.000 0.285 1034 I C 0.875 177.047 176.117 0.092 0.000 1.080 1034 I CA 0.048 61.374 61.300 0.044 0.000 1.404 1034 I CB 0.553 38.579 38.000 0.043 0.000 1.403 1034 I HN -0.170 nan 8.210 nan 0.000 0.539 1035 K N 6.027 126.484 120.400 0.095 0.000 2.379 1035 K HA 0.166 4.486 4.320 -0.000 0.000 0.284 1035 K C 0.511 177.240 176.600 0.214 0.000 1.044 1035 K CA -0.232 56.163 56.287 0.181 0.000 0.974 1035 K CB 1.014 33.606 32.500 0.155 0.000 0.962 1035 K HN 0.465 nan 8.250 nan 0.000 0.474 1036 I N 2.405 123.139 120.570 0.273 0.000 2.685 1036 I HA 0.167 4.336 4.170 -0.000 0.000 0.251 1036 I C 0.554 176.756 176.117 0.140 0.000 1.102 1036 I CA 0.712 62.140 61.300 0.212 0.000 1.442 1036 I CB -0.613 37.544 38.000 0.262 0.000 1.194 1036 I HN 0.578 nan 8.210 nan 0.000 0.448 1037 L N -0.580 120.696 121.223 0.089 0.000 2.781 1037 L HA 0.608 4.948 4.340 -0.000 0.000 0.256 1037 L C -1.236 175.347 176.870 -0.478 0.000 0.930 1037 L CA -0.268 54.522 54.840 -0.083 0.000 0.967 1037 L CB 1.596 43.690 42.059 0.057 0.000 1.551 1037 L HN 0.228 nan 8.230 nan 0.000 0.445 1038 G N 1.992 110.307 108.800 -0.809 0.000 2.731 1038 G HA2 0.493 4.452 3.960 -0.000 0.000 0.309 1038 G HA3 0.493 4.452 3.960 -0.000 0.000 0.309 1038 G C -1.985 172.365 174.900 -0.917 0.000 1.273 1038 G CA -0.226 44.081 45.100 -1.322 0.000 0.798 1038 G HN 0.924 nan 8.290 nan 0.000 0.509 1039 N N -0.366 117.719 118.700 -1.025 0.000 2.265 1039 N HA 0.518 5.258 4.740 -0.000 0.000 0.300 1039 N C -1.365 174.013 175.510 -0.220 0.000 1.148 1039 N CA -0.753 51.999 53.050 -0.496 0.000 0.772 1039 N CB 2.267 40.346 38.487 -0.679 0.000 1.434 1039 N HN 0.300 nan 8.380 nan 0.000 0.481 1040 Q N 0.679 120.478 119.800 -0.001 0.000 2.347 1040 Q HA 0.433 4.772 4.340 -0.000 0.000 0.265 1040 Q C 0.741 176.820 176.000 0.131 0.000 1.024 1040 Q CA -0.096 55.743 55.803 0.060 0.000 0.731 1040 Q CB 1.270 30.073 28.738 0.108 0.000 1.245 1040 Q HN 1.049 nan 8.270 nan 0.000 0.472 1041 G N 2.687 111.520 108.800 0.055 0.000 2.602 1041 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.310 1041 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.310 1041 G C 0.529 175.462 174.900 0.055 0.000 1.183 1041 G CA 0.698 45.826 45.100 0.046 0.000 0.979 1041 G HN 0.780 nan 8.290 nan 0.000 0.545 1042 S N 0.005 115.661 115.700 -0.073 0.000 2.568 1042 S HA 0.641 5.110 4.470 -0.000 0.000 0.232 1042 S C 0.093 174.641 174.600 -0.087 0.000 0.975 1042 S CA -0.059 58.113 58.200 -0.047 0.000 0.949 1042 S CB 0.137 63.205 63.200 -0.221 0.000 0.829 1042 S HN 0.529 nan 8.310 nan 0.000 0.479 1043 F N 1.289 121.402 119.950 0.271 0.000 2.458 1043 F HA 0.624 5.151 4.527 -0.000 0.000 0.330 1043 F C -0.126 175.850 175.800 0.293 0.000 1.082 1043 F CA -1.782 56.357 58.000 0.231 0.000 0.995 1043 F CB 1.109 40.183 39.000 0.122 0.000 1.170 1043 F HN 0.021 nan 8.300 nan 0.000 0.478 1044 L N 2.759 124.288 121.223 0.510 0.000 2.331 1044 L HA 0.521 4.861 4.340 -0.000 0.000 0.278 1044 L C 0.260 177.249 176.870 0.199 0.000 1.106 1044 L CA 0.188 55.262 54.840 0.390 0.000 0.824 1044 L CB 0.683 42.962 42.059 0.367 0.000 1.142 1044 L HN 0.793 nan 8.230 nan 0.000 0.443 1045 T N 1.787 116.393 114.554 0.087 0.000 2.940 1045 T HA 0.648 4.998 4.350 -0.000 0.000 0.288 1045 T C -0.524 174.190 174.700 0.023 0.000 1.033 1045 T CA -0.965 61.163 62.100 0.046 0.000 1.033 1045 T CB 1.453 70.345 68.868 0.040 0.000 1.079 1045 T HN 0.609 nan 8.240 nan 0.000 0.496 1046 K N 0.750 121.177 120.400 0.045 0.000 2.443 1046 K HA 0.584 4.903 4.320 -0.000 0.000 0.252 1046 K C 0.273 176.917 176.600 0.073 0.000 0.933 1046 K CA -0.999 55.319 56.287 0.052 0.000 0.792 1046 K CB 2.353 34.883 32.500 0.050 0.000 1.185 1046 K HN 0.894 nan 8.250 nan 0.000 0.425 1047 G N 1.668 110.529 108.800 0.102 0.000 2.588 1047 G HA2 0.231 4.191 3.960 -0.000 0.000 0.281 1047 G HA3 0.231 4.191 3.960 -0.000 0.000 0.281 1047 G C -1.997 172.948 174.900 0.074 0.000 1.236 1047 G CA -0.987 44.178 45.100 0.109 0.000 0.969 1047 G HN 0.362 nan 8.290 nan 0.000 0.504 1048 P HA 0.148 nan 4.420 nan 0.000 0.228 1048 P C 0.224 177.554 177.300 0.049 0.000 1.764 1048 P CA -0.246 62.881 63.100 0.045 0.000 0.929 1048 P CB -0.094 31.626 31.700 0.033 0.000 1.675 1049 S N -0.392 115.346 115.700 0.063 0.000 2.693 1049 S HA 0.341 4.810 4.470 -0.000 0.000 0.276 1049 S C 1.138 175.772 174.600 0.056 0.000 1.192 1049 S CA -0.594 57.647 58.200 0.068 0.000 0.994 1049 S CB 1.426 64.688 63.200 0.102 0.000 1.012 1049 S HN -0.096 nan 8.310 nan 0.000 0.550 1050 K N -0.115 120.319 120.400 0.056 0.000 2.439 1050 K HA 0.118 4.438 4.320 -0.000 0.000 0.197 1050 K C 0.812 177.438 176.600 0.042 0.000 1.041 1050 K CA 0.506 56.819 56.287 0.043 0.000 0.970 1050 K CB -0.455 32.069 32.500 0.040 0.000 0.773 1050 K HN 0.399 nan 8.250 nan 0.000 0.479 1051 L N 0.967 122.223 121.223 0.055 0.000 2.558 1051 L HA -0.013 4.327 4.340 -0.000 0.000 0.225 1051 L C 1.746 178.630 176.870 0.023 0.000 1.128 1051 L CA 0.537 55.398 54.840 0.035 0.000 0.868 1051 L CB -0.632 41.451 42.059 0.040 0.000 1.006 1051 L HN 0.236 nan 8.230 nan 0.000 0.454 1052 N N 1.293 120.014 118.700 0.034 0.000 2.058 1052 N HA -0.291 4.449 4.740 -0.000 0.000 0.200 1052 N C 1.339 176.861 175.510 0.021 0.000 1.033 1052 N CA 2.420 55.489 53.050 0.032 0.000 0.880 1052 N CB -0.047 38.460 38.487 0.033 0.000 1.069 1052 N HN 0.527 nan 8.380 nan 0.000 0.461 1053 D N -0.270 120.139 120.400 0.016 0.000 2.264 1053 D HA -0.145 4.494 4.640 -0.000 0.000 0.208 1053 D C 1.311 177.614 176.300 0.004 0.000 0.966 1053 D CA 0.932 54.939 54.000 0.011 0.000 0.864 1053 D CB -0.514 40.292 40.800 0.010 0.000 0.933 1053 D HN 0.390 nan 8.370 nan 0.000 0.499 1054 R N -0.114 120.385 120.500 -0.001 0.000 2.362 1054 R HA 0.427 4.766 4.340 -0.000 0.000 0.227 1054 R C 0.317 176.600 176.300 -0.029 0.000 0.905 1054 R CA -0.015 56.077 56.100 -0.014 0.000 1.067 1054 R CB 0.921 31.211 30.300 -0.016 0.000 1.078 1054 R HN 0.095 nan 8.270 nan 0.000 0.516 1055 A N 0.760 123.567 122.820 -0.022 0.000 2.324 1055 A HA 0.521 4.841 4.320 -0.000 0.000 0.330 1055 A C -0.942 176.638 177.584 -0.007 0.000 1.165 1055 A CA -0.392 51.622 52.037 -0.039 0.000 0.813 1055 A CB 1.193 20.169 19.000 -0.040 0.000 1.197 1055 A HN 0.028 nan 8.150 nan 0.000 0.484 1056 D N -0.618 119.776 120.400 -0.009 0.000 2.665 1056 D HA 0.615 5.255 4.640 -0.000 0.000 0.287 1056 D C -0.433 175.914 176.300 0.079 0.000 1.266 1056 D CA -0.023 54.004 54.000 0.045 0.000 0.830 1056 D CB 2.096 42.910 40.800 0.024 0.000 1.356 1056 D HN 0.468 nan 8.370 nan 0.000 0.437 1057 S N -0.551 115.253 115.700 0.174 0.000 2.855 1057 S HA 0.681 5.151 4.470 -0.000 0.000 0.308 1057 S C -1.015 173.664 174.600 0.133 0.000 1.077 1057 S CA -0.560 57.800 58.200 0.268 0.000 0.896 1057 S CB 1.066 64.669 63.200 0.672 0.000 1.339 1057 S HN 0.370 nan 8.310 nan 0.000 0.602 1058 R N 1.019 121.596 120.500 0.128 0.000 2.513 1058 R HA 0.302 4.642 4.340 -0.000 0.000 0.283 1058 R C 1.245 177.320 176.300 -0.375 0.000 1.535 1058 R CA -0.362 55.687 56.100 -0.085 0.000 1.315 1058 R CB 0.261 30.534 30.300 -0.045 0.000 1.163 1058 R HN 0.747 nan 8.270 nan 0.000 0.573 1059 R N 0.816 120.860 120.500 -0.761 0.000 2.193 1059 R HA -0.091 4.248 4.340 -0.000 0.000 0.229 1059 R C 0.864 176.705 176.300 -0.765 0.000 1.110 1059 R CA 1.980 57.146 56.100 -1.557 0.000 0.988 1059 R CB -0.105 29.369 30.300 -1.377 0.000 0.871 1059 R HN 0.424 nan 8.270 nan 0.000 0.458 1060 S N 0.370 115.830 115.700 -0.399 0.000 2.603 1060 S HA 0.041 4.511 4.470 -0.000 0.000 0.229 1060 S C 1.613 176.132 174.600 -0.134 0.000 0.972 1060 S CA 0.402 58.476 58.200 -0.210 0.000 0.935 1060 S CB -0.037 63.075 63.200 -0.146 0.000 0.769 1060 S HN 0.399 nan 8.310 nan 0.000 0.536 1061 L N -1.243 119.898 121.223 -0.136 0.000 2.731 1061 L HA 0.311 4.651 4.340 -0.000 0.000 0.240 1061 L C 1.575 178.459 176.870 0.025 0.000 1.120 1061 L CA -0.238 54.570 54.840 -0.054 0.000 0.913 1061 L CB -0.075 41.950 42.059 -0.057 0.000 1.213 1061 L HN 0.303 nan 8.230 nan 0.000 0.515 1062 W N 1.034 122.267 121.300 -0.111 0.000 2.363 1062 W HA -0.138 4.521 4.660 -0.001 0.000 0.296 1062 W C 1.859 178.353 176.519 -0.043 0.000 1.212 1062 W CA 0.423 57.730 57.345 -0.064 0.000 1.260 1062 W CB -0.665 28.924 29.460 0.216 0.000 1.131 1062 W HN 0.170 nan 8.180 nan 0.000 0.530 1063 D N -0.442 120.079 120.400 0.202 0.000 2.378 1063 D HA -0.098 4.542 4.640 -0.000 0.000 0.227 1063 D C 1.387 177.709 176.300 0.037 0.000 1.012 1063 D CA 0.938 55.009 54.000 0.118 0.000 0.905 1063 D CB -0.031 40.816 40.800 0.078 0.000 0.895 1063 D HN 0.231 nan 8.370 nan 0.000 0.532 1064 Q N -0.762 119.022 119.800 -0.027 0.000 2.217 1064 Q HA 0.276 4.615 4.340 -0.000 0.000 0.217 1064 Q C 0.914 176.827 176.000 -0.144 0.000 0.844 1064 Q CA 0.224 55.985 55.803 -0.069 0.000 0.957 1064 Q CB 0.812 29.505 28.738 -0.074 0.000 1.127 1064 Q HN 0.213 nan 8.270 nan 0.000 0.503 1065 G N 0.678 109.330 108.800 -0.246 0.000 2.137 1065 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.237 1065 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.237 1065 G C -0.292 174.106 174.900 -0.837 0.000 1.002 1065 G CA 0.117 44.978 45.100 -0.398 0.000 0.702 1065 G HN 0.376 nan 8.290 nan 0.000 0.515 1066 N N -0.590 117.526 118.700 -0.973 0.000 2.372 1066 N HA 0.700 5.440 4.740 -0.000 0.000 0.285 1066 N C -0.726 174.226 175.510 -0.931 0.000 1.008 1066 N CA -0.669 51.924 53.050 -0.761 0.000 0.880 1066 N CB 0.866 39.177 38.487 -0.294 0.000 1.239 1066 N HN 0.127 nan 8.380 nan 0.000 0.484 1067 F N 2.225 122.061 119.950 -0.190 0.000 2.622 1067 F HA 0.360 4.887 4.527 -0.000 0.000 0.338 1067 F C -2.225 173.540 175.800 -0.059 0.000 1.334 1067 F CA -1.824 55.865 58.000 -0.518 0.000 1.179 1067 F CB 0.921 38.943 39.000 -1.631 0.000 1.471 1067 F HN 0.207 nan 8.300 nan 0.000 0.576 1068 P HA 0.072 nan 4.420 nan 0.000 0.274 1068 P C -0.516 176.844 177.300 0.100 0.000 1.231 1068 P CA -0.255 62.964 63.100 0.197 0.000 0.790 1068 P CB 2.194 33.940 31.700 0.076 0.000 0.951 1069 L N 3.806 124.834 121.223 -0.325 0.000 2.272 1069 L HA 0.361 4.701 4.340 -0.000 0.000 0.284 1069 L C -0.526 176.105 176.870 -0.398 0.000 1.045 1069 L CA -0.924 53.526 54.840 -0.650 0.000 0.842 1069 L CB 0.070 41.149 42.059 -1.632 0.000 1.224 1069 L HN 0.261 nan 8.230 nan 0.000 0.430 1070 I N 5.828 126.274 120.570 -0.208 0.000 2.331 1070 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 1070 I C -0.018 176.004 176.117 -0.159 0.000 0.998 1070 I CA 0.120 61.328 61.300 -0.154 0.000 1.267 1070 I CB 1.409 39.363 38.000 -0.077 0.000 1.386 1070 I HN 0.383 nan 8.210 nan 0.000 0.476 1071 I N 7.207 127.677 120.570 -0.166 0.000 2.411 1071 I HA 0.332 4.502 4.170 -0.000 0.000 0.284 1071 I C -0.115 175.946 176.117 -0.092 0.000 1.012 1071 I CA -0.850 60.364 61.300 -0.143 0.000 1.119 1071 I CB 1.042 38.924 38.000 -0.197 0.000 1.261 1071 I HN 0.573 nan 8.210 nan 0.000 0.448 1072 K N 5.090 125.453 120.400 -0.062 0.000 2.109 1072 K HA 0.324 4.644 4.320 -0.000 0.000 0.243 1072 K C 0.456 177.039 176.600 -0.029 0.000 1.006 1072 K CA -0.659 55.603 56.287 -0.041 0.000 0.917 1072 K CB 0.805 33.287 32.500 -0.029 0.000 1.081 1072 K HN 0.641 nan 8.250 nan 0.000 0.468 1073 N N 1.077 119.767 118.700 -0.017 0.000 2.686 1073 N HA -0.158 4.581 4.740 -0.000 0.000 0.261 1073 N C -0.794 174.714 175.510 -0.004 0.000 1.001 1073 N CA -0.093 52.954 53.050 -0.005 0.000 0.764 1073 N CB -0.299 38.187 38.487 -0.002 0.000 0.898 1073 N HN 0.442 nan 8.380 nan 0.000 0.544 1074 L N 1.240 122.459 121.223 -0.007 0.000 2.593 1074 L HA -0.008 4.332 4.340 -0.000 0.000 0.287 1074 L C 0.955 177.831 176.870 0.010 0.000 1.243 1074 L CA 1.511 56.348 54.840 -0.005 0.000 0.890 1074 L CB 0.200 42.257 42.059 -0.003 0.000 1.134 1074 L HN 0.243 nan 8.230 nan 0.000 0.502 1075 K N 3.313 123.716 120.400 0.006 0.000 2.281 1075 K HA 0.338 4.658 4.320 -0.000 0.000 0.242 1075 K C 0.972 177.572 176.600 0.001 0.000 0.971 1075 K CA -1.000 55.293 56.287 0.010 0.000 0.834 1075 K CB 1.663 34.169 32.500 0.010 0.000 1.181 1075 K HN 0.145 nan 8.250 nan 0.000 0.435 1076 I N 1.991 122.557 120.570 -0.006 0.000 2.264 1076 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 1076 I C 2.035 178.133 176.117 -0.032 0.000 1.111 1076 I CA 1.547 62.826 61.300 -0.035 0.000 1.382 1076 I CB -0.194 37.787 38.000 -0.033 0.000 1.060 1076 I HN 0.634 nan 8.210 nan 0.000 0.418 1077 E N -0.160 120.035 120.200 -0.009 0.000 2.409 1077 E HA -0.187 4.163 4.350 -0.000 0.000 0.198 1077 E C 1.062 177.677 176.600 0.025 0.000 1.024 1077 E CA 0.766 57.167 56.400 0.002 0.000 0.861 1077 E CB -0.571 29.134 29.700 0.007 0.000 0.788 1077 E HN 0.486 nan 8.360 nan 0.000 0.521 1078 D N 1.447 121.868 120.400 0.035 0.000 2.264 1078 D HA -0.028 4.612 4.640 -0.000 0.000 0.208 1078 D C 0.104 176.487 176.300 0.139 0.000 0.966 1078 D CA 0.404 54.458 54.000 0.090 0.000 0.864 1078 D CB -0.121 40.708 40.800 0.048 0.000 0.933 1078 D HN -0.044 nan 8.370 nan 0.000 0.499 1079 S N 1.451 117.181 115.700 0.049 0.000 2.596 1079 S HA 0.146 4.616 4.470 -0.000 0.000 0.298 1079 S C 0.037 174.663 174.600 0.044 0.000 1.255 1079 S CA 0.342 58.561 58.200 0.031 0.000 1.083 1079 S CB 0.534 63.691 63.200 -0.071 0.000 0.837 1079 S HN 0.191 nan 8.310 nan 0.000 0.499 1080 D N 0.402 120.852 120.400 0.082 0.000 2.764 1080 D HA 0.219 4.859 4.640 -0.000 0.000 0.293 1080 D C -1.162 175.070 176.300 -0.112 0.000 1.287 1080 D CA -0.386 53.553 54.000 -0.102 0.000 0.768 1080 D CB 1.197 41.793 40.800 -0.341 0.000 1.288 1080 D HN 0.322 nan 8.370 nan 0.000 0.426 1081 T N 1.626 116.050 114.554 -0.217 0.000 2.767 1081 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 1081 T C -0.777 173.775 174.700 -0.246 0.000 0.963 1081 T CA -0.041 62.002 62.100 -0.095 0.000 1.019 1081 T CB 0.071 68.919 68.868 -0.033 0.000 0.923 1081 T HN 0.111 nan 8.240 nan 0.000 0.468 1082 Y N 2.234 122.631 120.300 0.162 0.000 2.393 1082 Y HA 0.614 5.164 4.550 -0.000 0.000 0.341 1082 Y C 0.133 176.233 175.900 0.334 0.000 0.988 1082 Y CA -1.193 57.070 58.100 0.272 0.000 1.078 1082 Y CB 1.196 39.837 38.460 0.301 0.000 1.203 1082 Y HN 0.467 nan 8.280 nan 0.000 0.453 1083 I N 2.730 123.547 120.570 0.411 0.000 2.406 1083 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 1083 I C -0.891 175.183 176.117 -0.071 0.000 0.999 1083 I CA -0.617 60.775 61.300 0.152 0.000 1.124 1083 I CB 1.529 39.570 38.000 0.068 0.000 1.289 1083 I HN 0.557 nan 8.210 nan 0.000 0.441 1084 c N 6.640 124.961 118.600 -0.465 0.000 2.223 1084 c HA 0.357 4.927 4.570 -0.000 0.000 0.324 1084 c C 0.265 174.113 174.090 -0.403 0.000 1.196 1084 c CA -0.404 55.394 56.329 -0.886 0.000 1.628 1084 c CB -0.759 40.828 42.510 -1.539 0.000 2.229 1084 c HN 0.743 nan 8.230 nan 0.000 0.486 1085 E N 3.739 123.783 120.200 -0.260 0.000 2.152 1085 E HA 0.483 4.833 4.350 -0.000 0.000 0.285 1085 E C -0.645 175.863 176.600 -0.153 0.000 1.043 1085 E CA -0.145 56.162 56.400 -0.154 0.000 0.839 1085 E CB 1.626 31.267 29.700 -0.097 0.000 1.069 1085 E HN 0.510 nan 8.360 nan 0.000 0.399 1086 V N 3.487 123.321 119.914 -0.133 0.000 2.891 1086 V HA 0.072 4.192 4.120 -0.000 0.000 0.304 1086 V C -0.788 175.257 176.094 -0.082 0.000 1.171 1086 V CA -0.539 61.682 62.300 -0.132 0.000 0.943 1086 V CB 1.606 33.342 31.823 -0.146 0.000 1.037 1086 V HN 0.953 nan 8.190 nan 0.000 0.427 1087 E N 4.225 124.379 120.200 -0.076 0.000 2.165 1087 E HA -0.309 4.041 4.350 -0.000 0.000 0.203 1087 E C 0.332 176.910 176.600 -0.037 0.000 1.335 1087 E CA 1.168 57.542 56.400 -0.044 0.000 0.708 1087 E CB -1.493 28.197 29.700 -0.016 0.000 1.105 1087 E HN 1.046 nan 8.360 nan 0.000 0.346 1088 D N -0.760 119.612 120.400 -0.047 0.000 3.090 1088 D HA -0.184 4.455 4.640 -0.000 0.000 0.215 1088 D C -0.543 175.735 176.300 -0.037 0.000 1.140 1088 D CA 1.966 55.942 54.000 -0.039 0.000 0.937 1088 D CB -0.750 40.033 40.800 -0.029 0.000 1.108 1088 D HN 0.785 nan 8.370 nan 0.000 0.420 1089 Q N -0.477 119.297 119.800 -0.044 0.000 2.378 1089 Q HA 0.627 4.967 4.340 -0.000 0.000 0.276 1089 Q C -0.306 175.659 176.000 -0.059 0.000 1.083 1089 Q CA -0.816 54.963 55.803 -0.040 0.000 0.856 1089 Q CB 1.986 30.705 28.738 -0.030 0.000 1.383 1089 Q HN -0.059 nan 8.270 nan 0.000 0.458 1090 K N 1.542 121.911 120.400 -0.051 0.000 2.640 1090 K HA 0.273 4.593 4.320 -0.000 0.000 0.245 1090 K C -1.361 175.207 176.600 -0.053 0.000 0.962 1090 K CA -0.274 55.975 56.287 -0.064 0.000 0.896 1090 K CB 1.794 34.268 32.500 -0.043 0.000 1.147 1090 K HN 0.457 nan 8.250 nan 0.000 0.445 1091 E N 2.290 122.436 120.200 -0.090 0.000 2.152 1091 E HA 0.066 4.416 4.350 -0.000 0.000 0.285 1091 E C -0.889 175.707 176.600 -0.006 0.000 1.043 1091 E CA -0.157 56.215 56.400 -0.048 0.000 0.839 1091 E CB 1.230 30.893 29.700 -0.061 0.000 1.069 1091 E HN 0.352 nan 8.360 nan 0.000 0.399 1092 E N 2.788 123.020 120.200 0.053 0.000 2.179 1092 E HA 0.442 4.791 4.350 -0.000 0.000 0.275 1092 E C -1.673 175.020 176.600 0.156 0.000 0.945 1092 E CA -0.769 55.694 56.400 0.105 0.000 0.792 1092 E CB 1.770 31.511 29.700 0.069 0.000 1.125 1092 E HN 0.232 nan 8.360 nan 0.000 0.397 1093 V N 4.773 124.824 119.914 0.228 0.000 2.655 1093 V HA 0.222 4.342 4.120 -0.000 0.000 0.301 1093 V C -1.246 174.985 176.094 0.228 0.000 1.082 1093 V CA -0.547 61.889 62.300 0.226 0.000 0.899 1093 V CB 1.780 33.768 31.823 0.274 0.000 1.014 1093 V HN 0.799 nan 8.190 nan 0.000 0.429 1094 Q N 4.542 124.437 119.800 0.159 0.000 2.279 1094 Q HA 0.492 4.831 4.340 -0.000 0.000 0.256 1094 Q C -1.386 174.702 176.000 0.148 0.000 0.937 1094 Q CA -0.567 55.319 55.803 0.139 0.000 0.933 1094 Q CB 1.615 30.408 28.738 0.092 0.000 1.189 1094 Q HN 0.768 nan 8.270 nan 0.000 0.417 1095 L N 5.309 126.638 121.223 0.177 0.000 2.313 1095 L HA 0.435 4.775 4.340 -0.000 0.000 0.283 1095 L C -1.836 175.074 176.870 0.066 0.000 1.013 1095 L CA -0.558 54.363 54.840 0.136 0.000 0.816 1095 L CB 1.419 43.579 42.059 0.169 0.000 1.236 1095 L HN 0.528 nan 8.230 nan 0.000 0.419 1096 L N 6.529 127.763 121.223 0.018 0.000 2.325 1096 L HA 0.562 4.902 4.340 -0.000 0.000 0.281 1096 L C -0.518 176.214 176.870 -0.230 0.000 1.004 1096 L CA -0.541 54.212 54.840 -0.144 0.000 0.823 1096 L CB 1.719 43.706 42.059 -0.120 0.000 1.236 1096 L HN 0.314 nan 8.230 nan 0.000 0.415 1097 V N 4.212 123.927 119.914 -0.331 0.000 2.435 1097 V HA 0.529 4.649 4.120 -0.000 0.000 0.290 1097 V C -0.362 175.502 176.094 -0.382 0.000 1.030 1097 V CA -0.475 61.701 62.300 -0.207 0.000 0.881 1097 V CB 1.506 33.284 31.823 -0.075 0.000 0.983 1097 V HN 0.411 nan 8.190 nan 0.000 0.445 1098 F N 1.848 121.901 119.950 0.171 0.000 2.546 1098 F HA 0.826 5.352 4.527 -0.000 0.000 0.320 1098 F C 0.715 176.657 175.800 0.236 0.000 1.076 1098 F CA -0.579 57.537 58.000 0.193 0.000 0.928 1098 F CB 2.232 41.386 39.000 0.255 0.000 1.189 1098 F HN 0.580 nan 8.300 nan 0.000 0.465 1099 G N 1.735 110.671 108.800 0.228 0.000 2.482 1099 G HA2 0.701 4.661 3.960 -0.000 0.000 0.317 1099 G HA3 0.701 4.661 3.960 -0.000 0.000 0.317 1099 G C -2.110 172.630 174.900 -0.265 0.000 1.241 1099 G CA -0.714 44.409 45.100 0.038 0.000 0.967 1099 G HN 0.682 nan 8.290 nan 0.000 0.482 1100 L N 2.008 122.952 121.223 -0.465 0.000 2.541 1100 L HA 0.583 4.923 4.340 -0.000 0.000 0.266 1100 L C -0.283 176.432 176.870 -0.259 0.000 0.966 1100 L CA -0.604 53.932 54.840 -0.507 0.000 0.871 1100 L CB 2.105 43.565 42.059 -0.998 0.000 1.232 1100 L HN 0.794 nan 8.230 nan 0.000 0.408 1101 T N 1.119 115.575 114.554 -0.163 0.000 2.893 1101 T HA 0.822 5.172 4.350 -0.000 0.000 0.291 1101 T C -0.035 174.596 174.700 -0.116 0.000 1.028 1101 T CA -0.561 61.475 62.100 -0.105 0.000 0.995 1101 T CB 2.054 70.881 68.868 -0.069 0.000 1.051 1101 T HN 0.610 nan 8.240 nan 0.000 0.470 1102 A N 1.957 124.708 122.820 -0.114 0.000 2.351 1102 A HA 0.455 4.774 4.320 -0.000 0.000 0.257 1102 A C 1.083 178.606 177.584 -0.101 0.000 1.087 1102 A CA -0.704 51.250 52.037 -0.138 0.000 0.798 1102 A CB -0.177 18.727 19.000 -0.161 0.000 1.033 1102 A HN 0.878 nan 8.150 nan 0.000 0.488 1103 N N -0.123 118.517 118.700 -0.100 0.000 2.494 1103 N HA 0.041 4.780 4.740 -0.000 0.000 0.182 1103 N C -0.050 175.424 175.510 -0.061 0.000 1.076 1103 N CA 1.145 54.151 53.050 -0.072 0.000 0.908 1103 N CB 0.157 38.605 38.487 -0.065 0.000 0.967 1103 N HN 0.473 nan 8.380 nan 0.000 0.449 1104 S N -1.235 114.425 115.700 -0.067 0.000 2.540 1104 S HA 0.253 4.723 4.470 -0.000 0.000 0.275 1104 S C -0.817 173.751 174.600 -0.052 0.000 1.123 1104 S CA -0.677 57.491 58.200 -0.054 0.000 0.907 1104 S CB 1.230 64.402 63.200 -0.048 0.000 1.081 1104 S HN -0.078 nan 8.310 nan 0.000 0.476 1105 D N 1.531 121.903 120.400 -0.048 0.000 2.328 1105 D HA 0.202 4.842 4.640 -0.000 0.000 0.221 1105 D C 0.133 176.393 176.300 -0.067 0.000 1.072 1105 D CA 0.511 54.485 54.000 -0.043 0.000 0.850 1105 D CB 0.360 41.135 40.800 -0.041 0.000 0.922 1105 D HN 0.430 nan 8.370 nan 0.000 0.516 1106 T N -0.301 114.211 114.554 -0.071 0.000 2.897 1106 T HA 0.150 4.500 4.350 -0.000 0.000 0.294 1106 T C 0.122 174.810 174.700 -0.019 0.000 1.004 1106 T CA -0.352 61.684 62.100 -0.107 0.000 1.106 1106 T CB 0.566 69.390 68.868 -0.072 0.000 0.949 1106 T HN 0.154 nan 8.240 nan 0.000 0.520 1107 H N 1.486 120.553 119.070 -0.005 0.000 3.004 1107 H HA 0.178 4.734 4.556 -0.000 0.000 0.316 1107 H C 0.148 175.478 175.328 0.003 0.000 1.014 1107 H CA -0.531 55.520 56.048 0.004 0.000 1.454 1107 H CB 0.216 29.987 29.762 0.015 0.000 1.472 1107 H HN 0.311 nan 8.280 nan 0.000 0.571 1108 L N 3.304 124.605 121.223 0.131 0.000 2.416 1108 L HA 0.212 4.552 4.340 -0.000 0.000 0.262 1108 L C -0.416 176.500 176.870 0.076 0.000 1.093 1108 L CA -0.884 53.999 54.840 0.071 0.000 0.801 1108 L CB 0.658 42.741 42.059 0.040 0.000 1.191 1108 L HN 0.326 nan 8.230 nan 0.000 0.459 1109 L N 0.859 122.114 121.223 0.054 0.000 2.331 1109 L HA 0.342 4.682 4.340 -0.000 0.000 0.275 1109 L C -0.046 176.867 176.870 0.070 0.000 1.022 1109 L CA -0.241 54.632 54.840 0.055 0.000 0.812 1109 L CB 1.391 43.454 42.059 0.007 0.000 1.257 1109 L HN 0.494 nan 8.230 nan 0.000 0.435 1110 Q N 1.410 121.278 119.800 0.113 0.000 2.304 1110 Q HA 0.301 4.641 4.340 -0.000 0.000 0.301 1110 Q C 1.015 177.067 176.000 0.086 0.000 1.063 1110 Q CA 1.145 57.025 55.803 0.128 0.000 0.947 1110 Q CB 0.135 29.002 28.738 0.215 0.000 1.201 1110 Q HN 0.936 nan 8.270 nan 0.000 0.389 1111 G N 1.640 110.486 108.800 0.077 0.000 2.176 1111 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.253 1111 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.253 1111 G C 0.062 174.984 174.900 0.036 0.000 0.979 1111 G CA 0.010 45.142 45.100 0.053 0.000 0.641 1111 G HN 0.553 nan 8.290 nan 0.000 0.530 1112 Q N 0.303 120.125 119.800 0.036 0.000 2.212 1112 Q HA 0.644 4.984 4.340 -0.000 0.000 0.238 1112 Q C 0.079 176.092 176.000 0.023 0.000 0.955 1112 Q CA -0.215 55.601 55.803 0.021 0.000 0.906 1112 Q CB 1.196 29.942 28.738 0.013 0.000 1.215 1112 Q HN 0.288 nan 8.270 nan 0.000 0.478 1113 S N 0.757 116.461 115.700 0.007 0.000 2.616 1113 S HA 0.496 4.966 4.470 -0.000 0.000 0.277 1113 S C -0.932 173.651 174.600 -0.029 0.000 1.234 1113 S CA -0.654 57.546 58.200 -0.001 0.000 1.028 1113 S CB 0.764 63.960 63.200 -0.006 0.000 0.988 1113 S HN 0.373 nan 8.310 nan 0.000 0.522 1114 L N 2.183 123.377 121.223 -0.049 0.000 2.381 1114 L HA 0.594 4.934 4.340 -0.000 0.000 0.274 1114 L C -0.841 175.958 176.870 -0.118 0.000 0.988 1114 L CA 0.118 54.881 54.840 -0.127 0.000 0.824 1114 L CB 1.803 43.711 42.059 -0.251 0.000 1.263 1114 L HN 0.628 nan 8.230 nan 0.000 0.410 1115 T N 6.298 120.780 114.554 -0.120 0.000 2.815 1115 T HA 0.575 4.925 4.350 -0.000 0.000 0.289 1115 T C -0.484 174.144 174.700 -0.119 0.000 1.000 1115 T CA -0.270 61.773 62.100 -0.095 0.000 0.958 1115 T CB 0.699 69.529 68.868 -0.063 0.000 0.944 1115 T HN 0.423 nan 8.240 nan 0.000 0.442 1116 L N 3.175 124.326 121.223 -0.119 0.000 2.295 1116 L HA 0.578 4.917 4.340 -0.000 0.000 0.285 1116 L C 0.368 177.182 176.870 -0.094 0.000 1.035 1116 L CA -0.690 54.075 54.840 -0.125 0.000 0.806 1116 L CB 1.393 43.370 42.059 -0.137 0.000 1.214 1116 L HN 0.529 nan 8.230 nan 0.000 0.426 1117 T N 3.619 118.116 114.554 -0.096 0.000 2.829 1117 T HA 0.490 4.840 4.350 -0.000 0.000 0.280 1117 T C -0.632 174.011 174.700 -0.095 0.000 0.999 1117 T CA -0.429 61.626 62.100 -0.075 0.000 0.983 1117 T CB 1.941 70.775 68.868 -0.056 0.000 0.968 1117 T HN 0.227 nan 8.240 nan 0.000 0.446 1118 L N 3.161 124.341 121.223 -0.072 0.000 2.272 1118 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 1118 L C 0.137 177.012 176.870 0.007 0.000 1.032 1118 L CA -0.194 54.605 54.840 -0.068 0.000 0.810 1118 L CB 0.721 42.744 42.059 -0.060 0.000 1.205 1118 L HN 0.572 nan 8.230 nan 0.000 0.422 1119 E N 3.095 123.306 120.200 0.018 0.000 2.259 1119 E HA 0.376 4.726 4.350 -0.000 0.000 0.281 1119 E C -0.771 175.914 176.600 0.141 0.000 1.037 1119 E CA -0.109 56.324 56.400 0.054 0.000 0.854 1119 E CB 0.829 30.546 29.700 0.028 0.000 1.051 1119 E HN 0.708 nan 8.360 nan 0.000 0.409 1120 S N 3.207 118.973 115.700 0.110 0.000 2.549 1120 S HA 0.608 5.077 4.470 -0.000 0.000 0.280 1120 S C -2.640 171.947 174.600 -0.023 0.000 1.109 1120 S CA -1.631 56.631 58.200 0.104 0.000 0.905 1120 S CB 1.909 65.292 63.200 0.305 0.000 1.081 1120 S HN 0.233 nan 8.310 nan 0.000 0.477 1121 P HA 0.399 nan 4.420 nan 0.000 0.274 1121 P C -2.846 174.434 177.300 -0.032 0.000 1.237 1121 P CA -1.444 61.597 63.100 -0.098 0.000 0.793 1121 P CB -1.092 30.508 31.700 -0.165 0.000 0.977 1122 P HA 0.099 nan 4.420 nan 0.000 0.265 1122 P C 1.074 178.378 177.300 0.007 0.000 1.193 1122 P CA 1.230 64.330 63.100 -0.001 0.000 0.765 1122 P CB -0.114 31.583 31.700 -0.005 0.000 0.823 1123 G N 1.960 110.773 108.800 0.022 0.000 2.317 1123 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.227 1123 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.227 1123 G C 0.369 175.300 174.900 0.051 0.000 1.042 1123 G CA 0.179 45.297 45.100 0.029 0.000 0.623 1123 G HN 0.838 nan 8.290 nan 0.000 0.509 1124 S N 0.235 115.977 115.700 0.069 0.000 2.564 1124 S HA 0.604 5.073 4.470 -0.000 0.000 0.278 1124 S C 0.170 174.850 174.600 0.134 0.000 1.333 1124 S CA 0.843 59.120 58.200 0.129 0.000 1.048 1124 S CB 1.694 65.014 63.200 0.199 0.000 0.900 1124 S HN 1.041 nan 8.310 nan 0.000 0.505 1125 S N 4.003 119.778 115.700 0.125 0.000 2.158 1125 S HA 0.395 4.865 4.470 -0.000 0.000 0.160 1125 S C -2.450 172.194 174.600 0.074 0.000 1.693 1125 S CA -0.874 57.380 58.200 0.089 0.000 1.251 1125 S CB 0.512 63.747 63.200 0.058 0.000 1.153 1125 S HN 0.777 nan 8.310 nan 0.000 0.439 1126 P HA 0.484 nan 4.420 nan 0.000 0.279 1126 P C -0.614 176.663 177.300 -0.039 0.000 1.252 1126 P CA -0.494 62.593 63.100 -0.021 0.000 0.811 1126 P CB 1.002 32.603 31.700 -0.165 0.000 1.035 1127 S N -0.008 115.658 115.700 -0.057 0.000 2.475 1127 S HA 0.504 4.974 4.470 -0.000 0.000 0.298 1127 S C -0.273 174.291 174.600 -0.060 0.000 1.119 1127 S CA -0.571 57.605 58.200 -0.041 0.000 1.085 1127 S CB 0.990 64.178 63.200 -0.021 0.000 1.028 1127 S HN 0.227 nan 8.310 nan 0.000 0.489 1128 V N 3.127 123.017 119.914 -0.041 0.000 2.604 1128 V HA 0.565 4.684 4.120 -0.000 0.000 0.305 1128 V C -0.350 175.744 176.094 -0.001 0.000 1.043 1128 V CA -0.735 61.545 62.300 -0.034 0.000 0.888 1128 V CB 1.655 33.450 31.823 -0.046 0.000 0.995 1128 V HN 0.858 nan 8.190 nan 0.000 0.429 1129 Q N 2.538 122.348 119.800 0.017 0.000 2.321 1129 Q HA 0.643 4.983 4.340 -0.000 0.000 0.270 1129 Q C -1.581 174.458 176.000 0.064 0.000 1.032 1129 Q CA -0.262 55.562 55.803 0.034 0.000 0.784 1129 Q CB 2.145 30.896 28.738 0.022 0.000 1.264 1129 Q HN 0.859 nan 8.270 nan 0.000 0.448 1130 c N 3.018 121.673 118.600 0.092 0.000 2.779 1130 c HA 0.785 5.355 4.570 -0.000 0.000 0.314 1130 c C -1.234 172.919 174.090 0.104 0.000 1.231 1130 c CA -0.456 55.963 56.329 0.149 0.000 1.652 1130 c CB 1.852 44.516 42.510 0.258 0.000 2.198 1130 c HN 1.025 nan 8.230 nan 0.000 0.483 1131 R N 2.104 122.637 120.500 0.055 0.000 2.538 1131 R HA 0.538 4.878 4.340 -0.000 0.000 0.292 1131 R C -0.295 175.753 176.300 -0.421 0.000 1.008 1131 R CA -0.015 56.000 56.100 -0.142 0.000 0.896 1131 R CB 1.820 32.062 30.300 -0.096 0.000 1.187 1131 R HN 0.940 nan 8.270 nan 0.000 0.440 1132 S N 3.627 118.786 115.700 -0.902 0.000 2.655 1132 S HA 0.353 4.823 4.470 -0.000 0.000 0.265 1132 S C -1.762 172.432 174.600 -0.676 0.000 1.240 1132 S CA -1.083 56.225 58.200 -1.487 0.000 0.986 1132 S CB 1.243 63.317 63.200 -1.876 0.000 0.985 1132 S HN 0.521 nan 8.310 nan 0.000 0.562 1133 P HA -0.069 nan 4.420 nan 0.000 0.221 1133 P C 1.164 178.347 177.300 -0.195 0.000 1.145 1133 P CA 1.044 63.995 63.100 -0.247 0.000 0.795 1133 P CB -0.112 31.500 31.700 -0.147 0.000 0.775 1134 R N -1.463 118.899 120.500 -0.229 0.000 2.300 1134 R HA 0.283 4.623 4.340 -0.000 0.000 0.199 1134 R C 1.234 177.446 176.300 -0.147 0.000 0.920 1134 R CA 0.970 56.979 56.100 -0.151 0.000 1.046 1134 R CB -0.665 29.564 30.300 -0.119 0.000 0.984 1134 R HN 0.121 nan 8.270 nan 0.000 0.493 1135 G N 1.386 110.069 108.800 -0.196 0.000 2.179 1135 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 1135 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 1135 G C -0.164 174.642 174.900 -0.157 0.000 0.990 1135 G CA -0.026 44.983 45.100 -0.153 0.000 0.646 1135 G HN 0.361 nan 8.290 nan 0.000 0.517 1136 K N 1.458 121.733 120.400 -0.208 0.000 2.453 1136 K HA 0.320 4.640 4.320 -0.000 0.000 0.280 1136 K C 0.025 176.535 176.600 -0.149 0.000 1.045 1136 K CA 0.302 56.490 56.287 -0.165 0.000 1.059 1136 K CB -0.369 32.023 32.500 -0.180 0.000 0.901 1136 K HN 0.445 nan 8.250 nan 0.000 0.475 1137 N N 4.147 122.813 118.700 -0.057 0.000 2.372 1137 N HA 0.487 5.227 4.740 -0.000 0.000 0.291 1137 N C -0.999 174.531 175.510 0.035 0.000 1.024 1137 N CA -0.780 52.261 53.050 -0.015 0.000 0.873 1137 N CB 1.010 39.487 38.487 -0.016 0.000 1.206 1137 N HN 0.561 nan 8.380 nan 0.000 0.486 1138 I N -1.463 119.151 120.570 0.073 0.000 2.647 1138 I HA 0.598 4.767 4.170 -0.000 0.000 0.295 1138 I C -1.108 175.046 176.117 0.061 0.000 1.078 1138 I CA -0.887 60.461 61.300 0.080 0.000 1.048 1138 I CB 2.099 40.173 38.000 0.123 0.000 1.239 1138 I HN 0.317 nan 8.210 nan 0.000 0.421 1139 Q N 2.676 122.500 119.800 0.040 0.000 2.484 1139 Q HA 0.941 5.281 4.340 -0.000 0.000 0.285 1139 Q C -0.343 175.668 176.000 0.018 0.000 1.097 1139 Q CA -0.650 55.169 55.803 0.026 0.000 0.802 1139 Q CB 2.743 31.491 28.738 0.018 0.000 1.444 1139 Q HN 1.101 nan 8.270 nan 0.000 0.429 1140 G N -1.164 107.641 108.800 0.009 0.000 2.335 1140 G HA2 0.451 4.411 3.960 -0.000 0.000 0.291 1140 G HA3 0.451 4.411 3.960 -0.000 0.000 0.291 1140 G C -0.541 174.357 174.900 -0.004 0.000 1.261 1140 G CA -0.135 44.967 45.100 0.004 0.000 0.871 1140 G HN 0.690 nan 8.290 nan 0.000 0.491 1141 G N -0.423 108.375 108.800 -0.003 0.000 2.766 1141 G HA2 0.393 4.353 3.960 -0.000 0.000 0.206 1141 G HA3 0.393 4.353 3.960 -0.000 0.000 0.206 1141 G C 1.400 176.296 174.900 -0.007 0.000 2.072 1141 G CA 1.230 46.328 45.100 -0.003 0.000 0.798 1141 G HN 0.822 nan 8.290 nan 0.000 0.703 1142 K N -0.190 120.212 120.400 0.002 0.000 2.057 1142 K HA 0.006 4.326 4.320 -0.000 0.000 0.206 1142 K C 0.787 177.378 176.600 -0.016 0.000 1.050 1142 K CA 1.556 57.844 56.287 0.001 0.000 0.935 1142 K CB -0.503 32.002 32.500 0.008 0.000 0.715 1142 K HN 0.343 nan 8.250 nan 0.000 0.439 1143 T N 0.040 114.585 114.554 -0.015 0.000 2.841 1143 T HA 0.566 4.915 4.350 -0.000 0.000 0.285 1143 T C -1.548 173.141 174.700 -0.018 0.000 0.991 1143 T CA -0.952 61.134 62.100 -0.023 0.000 0.966 1143 T CB 0.559 69.415 68.868 -0.020 0.000 0.962 1143 T HN -0.001 nan 8.240 nan 0.000 0.438 1144 L N 3.941 125.150 121.223 -0.024 0.000 2.313 1144 L HA 0.700 5.040 4.340 -0.000 0.000 0.283 1144 L C 0.159 177.021 176.870 -0.012 0.000 1.013 1144 L CA -0.355 54.481 54.840 -0.006 0.000 0.816 1144 L CB 1.962 44.025 42.059 0.007 0.000 1.236 1144 L HN 0.605 nan 8.230 nan 0.000 0.419 1145 S N 2.136 117.839 115.700 0.005 0.000 2.561 1145 S HA 0.768 5.238 4.470 -0.000 0.000 0.303 1145 S C -0.811 173.807 174.600 0.030 0.000 1.110 1145 S CA -0.523 57.677 58.200 0.001 0.000 1.034 1145 S CB 1.194 64.391 63.200 -0.004 0.000 1.010 1145 S HN 0.254 nan 8.310 nan 0.000 0.482 1146 V N 4.542 124.477 119.914 0.036 0.000 2.394 1146 V HA 0.383 4.502 4.120 -0.000 0.000 0.282 1146 V C 1.328 177.452 176.094 0.050 0.000 1.031 1146 V CA -0.361 61.986 62.300 0.078 0.000 0.881 1146 V CB 1.334 33.251 31.823 0.158 0.000 0.982 1146 V HN 0.942 nan 8.190 nan 0.000 0.451 1147 S N 3.209 118.938 115.700 0.049 0.000 2.355 1147 S HA -0.006 4.464 4.470 -0.000 0.000 0.222 1147 S C 0.693 175.316 174.600 0.039 0.000 1.031 1147 S CA 1.227 59.448 58.200 0.035 0.000 0.993 1147 S CB 0.044 63.263 63.200 0.031 0.000 0.859 1147 S HN 0.831 nan 8.310 nan 0.000 0.453 1148 Q N 0.873 120.706 119.800 0.055 0.000 2.275 1148 Q HA 0.370 4.709 4.340 -0.000 0.000 0.266 1148 Q C -1.809 174.242 176.000 0.086 0.000 1.002 1148 Q CA -0.699 55.140 55.803 0.059 0.000 0.761 1148 Q CB 1.770 30.538 28.738 0.050 0.000 1.255 1148 Q HN 0.160 nan 8.270 nan 0.000 0.446 1149 L N 2.525 123.804 121.223 0.095 0.000 2.426 1149 L HA 0.155 4.494 4.340 -0.000 0.000 0.271 1149 L C 0.489 177.427 176.870 0.113 0.000 1.169 1149 L CA 0.739 55.658 54.840 0.132 0.000 0.836 1149 L CB 0.355 42.490 42.059 0.127 0.000 1.112 1149 L HN 0.523 nan 8.230 nan 0.000 0.465 1150 E N 1.735 122.004 120.200 0.116 0.000 2.222 1150 E HA 0.115 4.465 4.350 -0.000 0.000 0.272 1150 E C 0.789 177.443 176.600 0.090 0.000 0.982 1150 E CA -0.793 55.658 56.400 0.086 0.000 0.842 1150 E CB 1.535 31.267 29.700 0.054 0.000 1.144 1150 E HN 0.429 nan 8.360 nan 0.000 0.397 1151 L N 2.429 123.695 121.223 0.072 0.000 2.051 1151 L HA -0.278 4.062 4.340 -0.000 0.000 0.214 1151 L C 1.685 178.584 176.870 0.048 0.000 1.076 1151 L CA 2.135 57.011 54.840 0.060 0.000 0.758 1151 L CB -0.487 41.588 42.059 0.027 0.000 0.890 1151 L HN 0.428 nan 8.230 nan 0.000 0.433 1152 Q N -0.320 119.496 119.800 0.027 0.000 2.439 1152 Q HA -0.139 4.201 4.340 -0.000 0.000 0.211 1152 Q C 1.565 177.566 176.000 0.001 0.000 0.978 1152 Q CA 1.202 57.007 55.803 0.003 0.000 0.897 1152 Q CB -0.395 28.332 28.738 -0.019 0.000 0.956 1152 Q HN 0.565 nan 8.270 nan 0.000 0.483 1153 D N -0.575 119.859 120.400 0.055 0.000 2.363 1153 D HA -0.011 4.629 4.640 -0.000 0.000 0.226 1153 D C -0.023 176.424 176.300 0.245 0.000 1.020 1153 D CA 0.269 54.337 54.000 0.113 0.000 0.892 1153 D CB 0.062 41.045 40.800 0.306 0.000 0.900 1153 D HN 0.038 nan 8.370 nan 0.000 0.531 1154 S N -0.313 115.479 115.700 0.153 0.000 2.531 1154 S HA 0.460 4.930 4.470 -0.000 0.000 0.279 1154 S C 0.553 175.230 174.600 0.129 0.000 1.305 1154 S CA 0.447 58.737 58.200 0.151 0.000 1.058 1154 S CB 0.521 63.767 63.200 0.076 0.000 0.899 1154 S HN 0.458 nan 8.310 nan 0.000 0.493 1155 G N 3.318 112.222 108.800 0.174 0.000 2.265 1155 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.246 1155 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.246 1155 G C -0.701 174.341 174.900 0.235 0.000 1.299 1155 G CA -0.459 44.725 45.100 0.140 0.000 1.117 1155 G HN 0.762 nan 8.290 nan 0.000 0.485 1156 T N 1.385 116.039 114.554 0.166 0.000 2.737 1156 T HA 0.473 4.823 4.350 -0.000 0.000 0.296 1156 T C -0.536 174.306 174.700 0.235 0.000 0.922 1156 T CA 0.341 62.561 62.100 0.201 0.000 1.079 1156 T CB 0.280 69.216 68.868 0.113 0.000 0.892 1156 T HN 0.430 nan 8.240 nan 0.000 0.514 1157 W N 2.350 123.666 121.300 0.028 0.000 2.313 1157 W HA 0.429 5.089 4.660 -0.000 0.000 0.328 1157 W C 0.424 176.967 176.519 0.040 0.000 1.197 1157 W CA -0.629 56.733 57.345 0.029 0.000 1.235 1157 W CB 0.622 30.098 29.460 0.027 0.000 1.158 1157 W HN 0.370 nan 8.180 nan 0.000 0.578 1158 T N 2.872 117.556 114.554 0.216 0.000 2.815 1158 T HA 0.406 4.756 4.350 -0.000 0.000 0.289 1158 T C -0.840 173.962 174.700 0.170 0.000 1.000 1158 T CA -0.510 61.687 62.100 0.161 0.000 0.958 1158 T CB 0.272 69.188 68.868 0.079 0.000 0.944 1158 T HN 0.277 nan 8.240 nan 0.000 0.442 1159 c N 3.271 121.993 118.600 0.204 0.000 2.382 1159 c HA 0.759 5.329 4.570 -0.000 0.000 0.327 1159 c C 0.731 174.933 174.090 0.188 0.000 1.250 1159 c CA -0.693 55.747 56.329 0.185 0.000 1.707 1159 c CB 0.822 43.434 42.510 0.170 0.000 2.272 1159 c HN 0.850 nan 8.230 nan 0.000 0.506 1160 T N 2.422 117.047 114.554 0.118 0.000 2.807 1160 T HA 0.529 4.879 4.350 -0.000 0.000 0.279 1160 T C -0.421 174.309 174.700 0.049 0.000 0.993 1160 T CA -0.345 61.807 62.100 0.086 0.000 0.970 1160 T CB 1.362 70.255 68.868 0.042 0.000 0.950 1160 T HN 0.422 nan 8.240 nan 0.000 0.441 1161 V N 4.362 124.294 119.914 0.029 0.000 2.398 1161 V HA 0.440 4.559 4.120 -0.000 0.000 0.286 1161 V C -0.205 175.816 176.094 -0.121 0.000 1.026 1161 V CA -0.879 61.360 62.300 -0.102 0.000 0.868 1161 V CB 1.642 33.325 31.823 -0.233 0.000 0.982 1161 V HN 0.707 nan 8.190 nan 0.000 0.443 1162 L N 5.034 126.187 121.223 -0.117 0.000 2.272 1162 L HA 0.696 5.036 4.340 -0.000 0.000 0.289 1162 L C -0.682 176.147 176.870 -0.068 0.000 1.032 1162 L CA -0.260 54.541 54.840 -0.066 0.000 0.810 1162 L CB 1.546 43.586 42.059 -0.032 0.000 1.205 1162 L HN 0.864 nan 8.230 nan 0.000 0.422 1163 Q N 4.129 123.919 119.800 -0.016 0.000 2.280 1163 Q HA 0.275 4.615 4.340 -0.000 0.000 0.259 1163 Q C -0.611 175.437 176.000 0.080 0.000 0.964 1163 Q CA -0.301 55.533 55.803 0.052 0.000 0.844 1163 Q CB 1.203 30.024 28.738 0.137 0.000 1.334 1163 Q HN 0.682 nan 8.270 nan 0.000 0.423 1164 N N 4.241 122.983 118.700 0.071 0.000 2.740 1164 N HA -0.283 4.457 4.740 -0.000 0.000 0.248 1164 N C -0.440 175.101 175.510 0.051 0.000 1.062 1164 N CA 0.984 54.072 53.050 0.064 0.000 0.704 1164 N CB -0.338 38.197 38.487 0.080 0.000 0.968 1164 N HN 0.803 nan 8.380 nan 0.000 0.547 1165 Q N -4.280 115.542 119.800 0.038 0.000 3.374 1165 Q HA -0.242 4.098 4.340 -0.000 0.000 0.194 1165 Q C -0.061 175.956 176.000 0.028 0.000 2.268 1165 Q CA 1.906 57.727 55.803 0.029 0.000 0.784 1165 Q CB -1.045 27.710 28.738 0.029 0.000 0.709 1165 Q HN 0.574 nan 8.270 nan 0.000 0.836 1166 K N 2.848 123.272 120.400 0.040 0.000 2.258 1166 K HA 0.266 4.586 4.320 -0.000 0.000 0.264 1166 K C 0.400 177.016 176.600 0.027 0.000 1.007 1166 K CA 0.326 56.637 56.287 0.039 0.000 0.941 1166 K CB 0.514 33.050 32.500 0.060 0.000 0.966 1166 K HN 0.270 nan 8.250 nan 0.000 0.480 1167 K N -0.478 119.932 120.400 0.017 0.000 2.395 1167 K HA 0.734 5.054 4.320 -0.000 0.000 0.247 1167 K C -1.344 175.255 176.600 -0.002 0.000 0.973 1167 K CA -1.074 55.213 56.287 0.000 0.000 0.828 1167 K CB 2.113 34.611 32.500 -0.003 0.000 1.272 1167 K HN 0.258 nan 8.250 nan 0.000 0.439 1168 V N 0.347 120.252 119.914 -0.015 0.000 2.876 1168 V HA 0.392 4.512 4.120 -0.000 0.000 0.312 1168 V C -1.498 174.547 176.094 -0.082 0.000 1.085 1168 V CA -0.607 61.657 62.300 -0.060 0.000 0.945 1168 V CB 2.023 33.815 31.823 -0.051 0.000 1.017 1168 V HN 0.978 nan 8.190 nan 0.000 0.428 1169 E N 3.509 123.606 120.200 -0.171 0.000 2.171 1169 E HA 0.536 4.886 4.350 -0.000 0.000 0.271 1169 E C -1.872 174.578 176.600 -0.251 0.000 0.916 1169 E CA -0.530 55.810 56.400 -0.100 0.000 0.774 1169 E CB 1.578 31.250 29.700 -0.047 0.000 1.128 1169 E HN 0.567 nan 8.360 nan 0.000 0.403 1170 F N 2.528 122.497 119.950 0.031 0.000 2.469 1170 F HA 0.430 4.957 4.527 -0.000 0.000 0.332 1170 F C 0.193 176.027 175.800 0.057 0.000 1.103 1170 F CA -0.807 57.218 58.000 0.042 0.000 0.979 1170 F CB 1.678 40.703 39.000 0.041 0.000 1.137 1170 F HN 0.127 nan 8.300 nan 0.000 0.463 1171 K N 4.605 125.135 120.400 0.218 0.000 2.307 1171 K HA 0.651 4.971 4.320 -0.000 0.000 0.263 1171 K C -1.137 175.566 176.600 0.172 0.000 0.973 1171 K CA -0.416 55.975 56.287 0.174 0.000 0.846 1171 K CB 1.742 34.308 32.500 0.110 0.000 1.100 1171 K HN 0.516 nan 8.250 nan 0.000 0.438 1172 I N 2.352 123.029 120.570 0.178 0.000 2.447 1172 I HA 0.210 4.379 4.170 -0.000 0.000 0.287 1172 I C -0.873 175.315 176.117 0.118 0.000 1.023 1172 I CA -1.040 60.328 61.300 0.113 0.000 1.083 1172 I CB 1.925 39.948 38.000 0.038 0.000 1.245 1172 I HN 0.424 nan 8.210 nan 0.000 0.434 1173 D N 6.856 127.308 120.400 0.087 0.000 2.295 1173 D HA 0.420 5.060 4.640 -0.000 0.000 0.248 1173 D C -0.259 176.073 176.300 0.053 0.000 1.154 1173 D CA 0.094 54.154 54.000 0.100 0.000 0.857 1173 D CB 1.366 42.216 40.800 0.084 0.000 1.117 1173 D HN 0.161 nan 8.370 nan 0.000 0.468 1174 I N 2.544 123.163 120.570 0.081 0.000 2.474 1174 I HA 0.296 4.466 4.170 -0.000 0.000 0.294 1174 I C -0.159 176.013 176.117 0.092 0.000 1.005 1174 I CA -0.912 60.401 61.300 0.023 0.000 1.113 1174 I CB 1.701 39.632 38.000 -0.115 0.000 1.289 1174 I HN 0.011 nan 8.210 nan 0.000 0.436 1175 V N 6.664 126.621 119.914 0.072 0.000 2.398 1175 V HA 0.446 4.565 4.120 -0.000 0.000 0.286 1175 V C -0.002 176.121 176.094 0.049 0.000 1.026 1175 V CA -0.688 61.627 62.300 0.025 0.000 0.868 1175 V CB 2.096 33.847 31.823 -0.120 0.000 0.982 1175 V HN 0.435 nan 8.190 nan 0.000 0.443 1176 V N 6.352 126.298 119.914 0.053 0.000 2.378 1176 V HA 0.432 4.551 4.120 -0.000 0.000 0.288 1176 V C -0.007 176.120 176.094 0.055 0.000 1.016 1176 V CA -0.563 61.782 62.300 0.074 0.000 0.840 1176 V CB 1.600 33.487 31.823 0.107 0.000 0.994 1176 V HN 0.647 nan 8.190 nan 0.000 0.431 1177 L N 4.093 125.358 121.223 0.070 0.000 2.397 1177 L HA 0.600 4.940 4.340 -0.000 0.000 0.271 1177 L C 0.868 177.823 176.870 0.141 0.000 1.148 1177 L CA 0.071 54.957 54.840 0.077 0.000 0.825 1177 L CB 0.916 43.029 42.059 0.090 0.000 1.117 1177 L HN 0.771 nan 8.230 nan 0.000 0.456 1178 A N 3.271 126.155 122.820 0.106 0.000 2.257 1178 A HA 0.825 5.144 4.320 -0.000 0.000 0.289 1178 A C -0.645 177.070 177.584 0.219 0.000 1.095 1178 A CA -0.261 51.834 52.037 0.095 0.000 0.836 1178 A CB 0.757 19.751 19.000 -0.010 0.000 1.111 1178 A HN 0.642 nan 8.150 nan 0.000 0.497 1179 F N -1.867 118.087 119.950 0.006 0.000 2.711 1179 F HA 0.576 5.102 4.527 -0.000 0.000 0.313 1179 F C -0.509 175.294 175.800 0.006 0.000 1.141 1179 F CA -1.171 56.834 58.000 0.007 0.000 0.941 1179 F CB 1.377 40.383 39.000 0.010 0.000 1.349 1179 F HN 0.621 nan 8.300 nan 0.000 0.464 1180 Q N 2.583 122.468 119.800 0.142 0.000 2.274 1180 Q HA 0.380 4.720 4.340 -0.000 0.000 0.256 1180 Q C -0.950 175.123 176.000 0.121 0.000 0.927 1180 Q CA -0.610 55.215 55.803 0.036 0.000 0.939 1180 Q CB 1.918 30.687 28.738 0.052 0.000 1.201 1180 Q HN 0.592 nan 8.270 nan 0.000 0.426 1181 K N 0.000 120.398 120.400 -0.004 0.000 2.780 1181 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1181 K CA 0.000 56.330 56.287 0.071 0.000 0.838 1181 K CB 0.000 32.496 32.500 -0.006 0.000 1.064 1181 K HN 0.000 nan 8.250 nan 0.000 0.543