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 3c9i_1_E DATA FIRST_RESID 997 DATA SEQUENCE RGSHMADPSL NNPVVIQATR LDASILPRNV FSKSYLLYVI AQGTDVGAIA DATA SEQUENCE GKANEAGQGA YDAQVKNDEQ DVELADHEAR IKQLRIDVDD HESRITANTK DATA SEQUENCE AITALNVRVT TAEGEIASLQ TNVSALDGRV TTAENNISAL QADYVSKTAT DATA SEQUENCE TSQSLASPLN VTTSYSVGGK KVVGARQTGW TAATGTANKG VFDADLTFAX DATA SEQUENCE XXXXXXXXXX AIANALITER RRTKAMEDAL RAHGLID 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 997 R HA 0.000 nan 4.340 nan 0.000 0.208 997 R C 0.000 176.325 176.300 0.042 0.000 0.893 997 R CA 0.000 56.116 56.100 0.026 0.000 0.921 997 R CB 0.000 30.317 30.300 0.028 0.000 0.687 998 G N 0.424 109.250 108.800 0.044 0.000 3.474 998 G HA2 0.145 4.105 3.960 -0.000 0.000 0.269 998 G HA3 0.145 4.105 3.960 -0.000 0.000 0.269 998 G C -0.122 174.828 174.900 0.083 0.000 1.339 998 G CA -0.268 44.871 45.100 0.065 0.000 1.258 998 G HN 0.447 nan 8.290 nan 0.000 0.560 999 S N -0.165 115.585 115.700 0.085 0.000 2.601 999 S HA 0.149 4.619 4.470 -0.000 0.000 0.244 999 S C 0.669 175.330 174.600 0.102 0.000 1.001 999 S CA -0.685 57.559 58.200 0.074 0.000 0.984 999 S CB -0.316 62.911 63.200 0.045 0.000 0.842 999 S HN 0.762 nan 8.310 nan 0.000 0.474 1000 H N 1.803 120.888 119.070 0.026 0.000 3.181 1000 H HA -0.075 4.480 4.556 -0.000 0.000 0.316 1000 H C 1.544 176.887 175.328 0.024 0.000 0.995 1000 H CA 0.242 56.301 56.048 0.019 0.000 1.332 1000 H CB 0.293 30.069 29.762 0.022 0.000 1.245 1000 H HN 0.119 nan 8.280 nan 0.000 0.592 1001 M N 3.700 123.179 119.600 -0.202 0.000 2.113 1001 M HA -0.180 4.300 4.480 -0.000 0.000 0.255 1001 M C 1.046 177.178 176.300 -0.279 0.000 1.073 1001 M CA 2.012 57.177 55.300 -0.226 0.000 1.091 1001 M CB -1.318 31.188 32.600 -0.156 0.000 1.309 1001 M HN 0.745 nan 8.290 nan 0.000 0.407 1002 A N 1.753 124.270 122.820 -0.505 0.000 2.567 1002 A HA -0.029 4.291 4.320 -0.000 0.000 0.240 1002 A C -0.042 177.534 177.584 -0.012 0.000 1.053 1002 A CA -0.023 51.857 52.037 -0.262 0.000 0.755 1002 A CB -0.361 18.388 19.000 -0.418 0.000 0.978 1002 A HN 0.458 nan 8.150 nan 0.000 0.507 1003 D N 3.414 123.868 120.400 0.090 0.000 2.344 1003 D HA 0.278 4.918 4.640 -0.000 0.000 0.253 1003 D C -1.566 174.830 176.300 0.160 0.000 1.255 1003 D CA -1.880 52.185 54.000 0.109 0.000 0.894 1003 D CB 1.010 41.844 40.800 0.057 0.000 1.067 1003 D HN 0.172 nan 8.370 nan 0.000 0.492 1004 P HA -0.149 nan 4.420 nan 0.000 0.219 1004 P C 1.290 178.452 177.300 -0.229 0.000 1.146 1004 P CA 0.979 63.986 63.100 -0.154 0.000 0.808 1004 P CB 0.137 31.810 31.700 -0.046 0.000 0.779 1005 S N -0.917 114.723 115.700 -0.100 0.000 2.447 1005 S HA -0.097 4.373 4.470 -0.000 0.000 0.233 1005 S C 1.800 176.344 174.600 -0.093 0.000 1.006 1005 S CA 0.866 59.015 58.200 -0.086 0.000 0.957 1005 S CB -1.579 61.597 63.200 -0.040 0.000 0.773 1005 S HN 0.113 nan 8.310 nan 0.000 0.507 1006 L N 1.182 122.356 121.223 -0.082 0.000 2.362 1006 L HA 0.082 4.422 4.340 -0.000 0.000 0.219 1006 L C 2.184 178.989 176.870 -0.107 0.000 1.134 1006 L CA 0.954 55.768 54.840 -0.043 0.000 0.807 1006 L CB -0.529 41.565 42.059 0.058 0.000 0.927 1006 L HN 0.336 nan 8.230 nan 0.000 0.447 1007 N N -0.129 118.406 118.700 -0.276 0.000 2.270 1007 N HA -0.038 4.702 4.740 -0.000 0.000 0.198 1007 N C 0.213 175.610 175.510 -0.189 0.000 1.117 1007 N CA 0.008 52.874 53.050 -0.306 0.000 0.845 1007 N CB 0.114 38.182 38.487 -0.698 0.000 0.980 1007 N HN 0.186 nan 8.380 nan 0.000 0.486 1008 N N 1.220 119.837 118.700 -0.139 0.000 2.500 1008 N HA 0.188 4.928 4.740 -0.000 0.000 0.236 1008 N C -2.482 172.993 175.510 -0.060 0.000 1.022 1008 N CA -1.427 51.568 53.050 -0.091 0.000 0.935 1008 N CB 0.823 39.263 38.487 -0.078 0.000 1.147 1008 N HN 0.119 nan 8.380 nan 0.000 0.512 1009 P HA -0.016 nan 4.420 nan 0.000 0.271 1009 P C -0.128 177.157 177.300 -0.025 0.000 1.216 1009 P CA -0.216 62.864 63.100 -0.032 0.000 0.771 1009 P CB 1.445 33.128 31.700 -0.028 0.000 0.864 1010 V N 4.523 124.425 119.914 -0.020 0.000 2.686 1010 V HA 0.160 4.280 4.120 -0.000 0.000 0.295 1010 V C 0.047 176.133 176.094 -0.014 0.000 1.055 1010 V CA -0.281 62.009 62.300 -0.016 0.000 1.050 1010 V CB 1.278 33.093 31.823 -0.013 0.000 0.984 1010 V HN 0.485 nan 8.190 nan 0.000 0.482 1011 V N 7.976 127.883 119.914 -0.012 0.000 2.417 1011 V HA 0.663 4.783 4.120 -0.000 0.000 0.291 1011 V C -0.243 175.845 176.094 -0.009 0.000 1.024 1011 V CA -0.473 61.820 62.300 -0.011 0.000 0.861 1011 V CB 1.350 33.167 31.823 -0.011 0.000 0.985 1011 V HN 0.930 nan 8.190 nan 0.000 0.436 1012 I N 3.580 124.145 120.570 -0.008 0.000 2.947 1012 I HA 0.610 4.780 4.170 -0.000 0.000 0.314 1012 I C 0.269 176.382 176.117 -0.006 0.000 1.028 1012 I CA -1.089 60.207 61.300 -0.007 0.000 1.077 1012 I CB 1.752 39.748 38.000 -0.008 0.000 1.274 1012 I HN 0.913 nan 8.210 nan 0.000 0.485 1013 Q N 2.121 121.918 119.800 -0.005 0.000 2.432 1013 Q HA 0.236 4.576 4.340 -0.000 0.000 0.264 1013 Q C 0.447 176.444 176.000 -0.005 0.000 1.035 1013 Q CA 0.047 55.848 55.803 -0.004 0.000 0.908 1013 Q CB 1.023 29.760 28.738 -0.001 0.000 1.280 1013 Q HN 0.824 nan 8.270 nan 0.000 0.455 1014 A N 2.279 125.096 122.820 -0.005 0.000 2.178 1014 A HA 0.058 4.378 4.320 -0.000 0.000 0.211 1014 A C 0.688 178.268 177.584 -0.006 0.000 1.157 1014 A CA 0.469 52.503 52.037 -0.006 0.000 0.780 1014 A CB -0.381 18.616 19.000 -0.005 0.000 0.828 1014 A HN 0.848 nan 8.150 nan 0.000 0.476 1015 T N -0.384 114.167 114.554 -0.004 0.000 2.916 1015 T HA 0.472 4.822 4.350 -0.000 0.000 0.303 1015 T C -0.103 174.593 174.700 -0.007 0.000 1.025 1015 T CA -0.348 61.750 62.100 -0.004 0.000 1.142 1015 T CB 0.970 69.838 68.868 -0.001 0.000 0.947 1015 T HN 0.181 nan 8.240 nan 0.000 0.544 1016 R N 1.904 122.399 120.500 -0.007 0.000 2.255 1016 R HA 0.381 4.721 4.340 -0.000 0.000 0.326 1016 R C -0.164 176.130 176.300 -0.009 0.000 0.986 1016 R CA -0.810 55.284 56.100 -0.011 0.000 0.847 1016 R CB 0.625 30.918 30.300 -0.011 0.000 1.111 1016 R HN 0.718 nan 8.270 nan 0.000 0.452 1017 L N 3.275 124.490 121.223 -0.013 0.000 2.500 1017 L HA 0.064 4.404 4.340 -0.000 0.000 0.272 1017 L C 0.012 176.877 176.870 -0.008 0.000 1.149 1017 L CA 0.529 55.364 54.840 -0.008 0.000 0.897 1017 L CB 0.370 42.419 42.059 -0.016 0.000 1.178 1017 L HN 0.693 nan 8.230 nan 0.000 0.473 1018 D N 2.904 123.304 120.400 0.000 0.000 2.624 1018 D HA 0.503 5.143 4.640 -0.000 0.000 0.257 1018 D C 0.434 176.741 176.300 0.011 0.000 1.167 1018 D CA 0.197 54.198 54.000 0.002 0.000 1.086 1018 D CB 1.565 42.365 40.800 0.001 0.000 1.210 1018 D HN 0.437 nan 8.370 nan 0.000 0.631 1019 A N -0.829 121.998 122.820 0.011 0.000 2.197 1019 A HA 0.125 4.445 4.320 -0.000 0.000 0.210 1019 A C 1.824 179.412 177.584 0.008 0.000 1.180 1019 A CA 0.977 53.025 52.037 0.018 0.000 0.846 1019 A CB -0.645 18.366 19.000 0.019 0.000 0.884 1019 A HN 0.438 nan 8.150 nan 0.000 0.487 1020 S N 1.088 116.790 115.700 0.003 0.000 2.419 1020 S HA -0.157 4.313 4.470 -0.000 0.000 0.233 1020 S C 1.550 176.147 174.600 -0.006 0.000 1.016 1020 S CA 1.408 59.606 58.200 -0.003 0.000 0.974 1020 S CB -0.783 62.416 63.200 -0.002 0.000 0.786 1020 S HN 0.915 nan 8.310 nan 0.000 0.492 1021 I N -1.759 118.810 120.570 -0.001 0.000 3.928 1021 I HA 0.461 4.631 4.170 -0.000 0.000 0.335 1021 I C -0.075 176.037 176.117 -0.008 0.000 1.325 1021 I CA -0.540 60.758 61.300 -0.003 0.000 1.107 1021 I CB -0.043 37.960 38.000 0.005 0.000 1.014 1021 I HN 0.088 nan 8.210 nan 0.000 0.400 1022 L N 2.112 123.328 121.223 -0.011 0.000 2.379 1022 L HA 0.513 4.853 4.340 -0.000 0.000 0.269 1022 L C -2.055 174.728 176.870 -0.145 0.000 1.084 1022 L CA -1.887 52.930 54.840 -0.039 0.000 0.802 1022 L CB 0.349 42.433 42.059 0.041 0.000 1.175 1022 L HN -0.118 nan 8.230 nan 0.000 0.448 1023 P HA 0.022 nan 4.420 nan 0.000 0.260 1023 P C 0.171 177.312 177.300 -0.265 0.000 1.185 1023 P CA -0.054 62.833 63.100 -0.356 0.000 0.763 1023 P CB 0.387 31.697 31.700 -0.650 0.000 0.776 1024 R N 2.812 123.225 120.500 -0.145 0.000 2.159 1024 R HA -0.127 4.212 4.340 -0.000 0.000 0.237 1024 R C 0.408 176.667 176.300 -0.069 0.000 1.131 1024 R CA 1.469 57.518 56.100 -0.084 0.000 0.982 1024 R CB -0.676 29.592 30.300 -0.053 0.000 0.868 1024 R HN 0.701 nan 8.270 nan 0.000 0.453 1025 N N -1.959 116.687 118.700 -0.090 0.000 2.824 1025 N HA 0.058 4.798 4.740 -0.000 0.000 0.224 1025 N C -0.125 175.359 175.510 -0.044 0.000 1.418 1025 N CA -0.258 52.765 53.050 -0.044 0.000 0.743 1025 N CB 0.907 39.384 38.487 -0.017 0.000 1.395 1025 N HN -0.109 nan 8.380 nan 0.000 0.548 1026 V N -3.367 116.512 119.914 -0.058 0.000 3.213 1026 V HA 0.553 4.672 4.120 -0.000 0.000 0.260 1026 V C -0.735 175.484 176.094 0.208 0.000 1.663 1026 V CA 0.143 62.444 62.300 0.002 0.000 1.026 1026 V CB -0.161 31.607 31.823 -0.092 0.000 0.874 1026 V HN 0.128 nan 8.190 nan 0.000 0.410 1027 F N 3.835 123.844 119.950 0.098 0.000 2.396 1027 F HA 0.782 5.309 4.527 0.000 0.000 0.343 1027 F C 1.242 177.113 175.800 0.118 0.000 1.104 1027 F CA -0.754 57.345 58.000 0.166 0.000 1.161 1027 F CB 1.452 40.572 39.000 0.201 0.000 1.146 1027 F HN 0.374 nan 8.300 nan 0.000 0.522 1028 S N 3.074 118.958 115.700 0.306 0.000 2.608 1028 S HA 0.150 4.620 4.470 -0.000 0.000 0.261 1028 S C 1.137 175.847 174.600 0.184 0.000 1.314 1028 S CA -0.561 57.744 58.200 0.176 0.000 0.992 1028 S CB 0.751 64.017 63.200 0.110 0.000 0.935 1028 S HN 0.735 nan 8.310 nan 0.000 0.564 1029 K N 0.356 120.830 120.400 0.123 0.000 2.288 1029 K HA -0.031 4.289 4.320 -0.000 0.000 0.201 1029 K C 1.755 178.415 176.600 0.099 0.000 1.048 1029 K CA 1.339 57.689 56.287 0.106 0.000 0.956 1029 K CB -0.604 31.940 32.500 0.073 0.000 0.746 1029 K HN 0.436 nan 8.250 nan 0.000 0.461 1030 S N 0.696 116.456 115.700 0.100 0.000 2.387 1030 S HA -0.114 4.356 4.470 -0.000 0.000 0.226 1030 S C 1.558 176.245 174.600 0.144 0.000 1.026 1030 S CA 0.743 59.003 58.200 0.100 0.000 0.972 1030 S CB -0.409 62.836 63.200 0.075 0.000 0.814 1030 S HN 0.427 nan 8.310 nan 0.000 0.477 1031 Y N 1.936 122.219 120.300 -0.028 0.000 2.373 1031 Y HA 0.062 4.611 4.550 -0.000 0.000 0.293 1031 Y C 1.907 177.755 175.900 -0.086 0.000 1.129 1031 Y CA 0.351 58.380 58.100 -0.119 0.000 1.226 1031 Y CB -0.442 37.847 38.460 -0.285 0.000 1.000 1031 Y HN 0.192 nan 8.280 nan 0.000 0.549 1032 L N -0.197 121.020 121.223 -0.009 0.000 2.056 1032 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 1032 L C 2.021 178.868 176.870 -0.038 0.000 1.078 1032 L CA 1.707 56.548 54.840 0.000 0.000 0.749 1032 L CB -0.892 41.250 42.059 0.138 0.000 0.901 1032 L HN 0.275 nan 8.230 nan 0.000 0.433 1033 L N -1.870 119.361 121.223 0.012 0.000 2.027 1033 L HA -0.240 4.100 4.340 -0.000 0.000 0.206 1033 L C 2.514 179.376 176.870 -0.013 0.000 1.074 1033 L CA 1.645 56.491 54.840 0.010 0.000 0.745 1033 L CB -0.766 41.317 42.059 0.040 0.000 0.898 1033 L HN 0.334 nan 8.230 nan 0.000 0.433 1034 Y N -0.140 120.092 120.300 -0.114 0.000 2.114 1034 Y HA -0.315 4.235 4.550 -0.000 0.000 0.282 1034 Y C 2.516 178.293 175.900 -0.205 0.000 1.165 1034 Y CA 1.900 59.927 58.100 -0.123 0.000 1.148 1034 Y CB -0.367 38.056 38.460 -0.063 0.000 0.972 1034 Y HN -0.138 nan 8.280 nan 0.000 0.504 1035 V N 0.449 120.237 119.914 -0.210 0.000 2.343 1035 V HA -0.320 3.799 4.120 -0.000 0.000 0.247 1035 V C 2.243 178.223 176.094 -0.190 0.000 1.051 1035 V CA 2.240 64.367 62.300 -0.289 0.000 1.036 1035 V CB -0.499 31.020 31.823 -0.506 0.000 0.654 1035 V HN 0.514 nan 8.190 nan 0.000 0.451 1036 I N -0.125 120.360 120.570 -0.142 0.000 2.252 1036 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 1036 I C 2.595 178.640 176.117 -0.120 0.000 1.102 1036 I CA 1.389 62.631 61.300 -0.096 0.000 1.385 1036 I CB -0.605 37.362 38.000 -0.056 0.000 1.064 1036 I HN 0.327 nan 8.210 nan 0.000 0.414 1037 A N 0.009 122.734 122.820 -0.158 0.000 1.969 1037 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 1037 A C 2.301 179.752 177.584 -0.222 0.000 1.169 1037 A CA 1.514 53.447 52.037 -0.172 0.000 0.635 1037 A CB -0.594 18.297 19.000 -0.181 0.000 0.810 1037 A HN 0.505 nan 8.150 nan 0.000 0.445 1038 Q N -0.492 119.118 119.800 -0.317 0.000 2.079 1038 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 1038 Q C 2.058 177.964 176.000 -0.157 0.000 0.974 1038 Q CA 1.502 57.127 55.803 -0.297 0.000 0.840 1038 Q CB -0.516 28.009 28.738 -0.355 0.000 0.898 1038 Q HN 0.566 nan 8.270 nan 0.000 0.430 1039 G N 0.138 108.863 108.800 -0.125 0.000 2.446 1039 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.217 1039 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.217 1039 G C 1.520 176.380 174.900 -0.066 0.000 1.168 1039 G CA 1.627 46.682 45.100 -0.076 0.000 0.771 1039 G HN 0.586 nan 8.290 nan 0.000 0.551 1040 T N -1.224 113.286 114.554 -0.074 0.000 2.821 1040 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 1040 T C 1.859 176.523 174.700 -0.060 0.000 1.046 1040 T CA 1.697 63.762 62.100 -0.059 0.000 1.139 1040 T CB -0.285 68.549 68.868 -0.057 0.000 0.871 1040 T HN 0.138 nan 8.240 nan 0.000 0.454 1041 D N 1.247 121.599 120.400 -0.081 0.000 2.123 1041 D HA -0.056 4.584 4.640 -0.000 0.000 0.196 1041 D C 2.327 178.594 176.300 -0.054 0.000 0.992 1041 D CA 0.928 54.884 54.000 -0.073 0.000 0.833 1041 D CB -0.565 40.175 40.800 -0.101 0.000 0.954 1041 D HN 0.336 nan 8.370 nan 0.000 0.455 1042 V N 0.847 120.728 119.914 -0.054 0.000 2.343 1042 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 1042 V C 2.523 178.600 176.094 -0.028 0.000 1.051 1042 V CA 2.025 64.302 62.300 -0.037 0.000 1.036 1042 V CB -0.984 30.819 31.823 -0.033 0.000 0.654 1042 V HN 0.254 nan 8.190 nan 0.000 0.451 1043 G N -0.589 108.193 108.800 -0.030 0.000 2.408 1043 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.217 1043 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.217 1043 G C 1.745 176.632 174.900 -0.022 0.000 1.150 1043 G CA 0.986 46.072 45.100 -0.023 0.000 0.776 1043 G HN 0.601 nan 8.290 nan 0.000 0.542 1044 A N 0.773 123.578 122.820 -0.026 0.000 1.898 1044 A HA 0.121 4.441 4.320 -0.000 0.000 0.216 1044 A C 2.374 179.947 177.584 -0.019 0.000 1.181 1044 A CA 1.098 53.121 52.037 -0.022 0.000 0.620 1044 A CB -0.328 18.656 19.000 -0.026 0.000 0.819 1044 A HN 0.350 nan 8.150 nan 0.000 0.442 1045 I N -0.143 120.414 120.570 -0.021 0.000 2.286 1045 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 1045 I C 2.939 179.049 176.117 -0.012 0.000 1.115 1045 I CA 0.953 62.243 61.300 -0.016 0.000 1.392 1045 I CB -0.311 37.679 38.000 -0.017 0.000 1.065 1045 I HN 0.370 nan 8.210 nan 0.000 0.418 1046 A N 1.036 123.848 122.820 -0.013 0.000 1.877 1046 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 1046 A C 2.469 180.047 177.584 -0.010 0.000 1.186 1046 A CA 1.894 53.924 52.037 -0.011 0.000 0.620 1046 A CB -1.489 17.503 19.000 -0.012 0.000 0.822 1046 A HN 0.439 nan 8.150 nan 0.000 0.443 1047 G N 0.086 108.879 108.800 -0.011 0.000 2.491 1047 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.218 1047 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.218 1047 G C 1.642 176.538 174.900 -0.006 0.000 1.180 1047 G CA 1.736 46.831 45.100 -0.009 0.000 0.774 1047 G HN 0.585 nan 8.290 nan 0.000 0.562 1048 K N 1.246 121.642 120.400 -0.007 0.000 2.147 1048 K HA 0.156 4.476 4.320 -0.000 0.000 0.205 1048 K C 2.571 179.169 176.600 -0.002 0.000 1.049 1048 K CA 1.636 57.920 56.287 -0.004 0.000 0.936 1048 K CB -0.636 31.861 32.500 -0.005 0.000 0.722 1048 K HN 0.215 nan 8.250 nan 0.000 0.446 1049 A N 0.855 123.673 122.820 -0.004 0.000 1.898 1049 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 1049 A C 1.875 179.458 177.584 -0.002 0.000 1.181 1049 A CA 1.626 53.662 52.037 -0.003 0.000 0.620 1049 A CB -0.610 18.387 19.000 -0.005 0.000 0.819 1049 A HN 0.413 nan 8.150 nan 0.000 0.442 1050 N N 0.115 118.812 118.700 -0.005 0.000 2.142 1050 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 1050 N C 1.602 177.112 175.510 0.001 0.000 1.023 1050 N CA 1.551 54.598 53.050 -0.006 0.000 0.852 1050 N CB -0.459 38.022 38.487 -0.010 0.000 0.998 1050 N HN 0.659 nan 8.380 nan 0.000 0.424 1051 E N 0.832 121.034 120.200 0.003 0.000 2.118 1051 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 1051 E C 1.873 178.483 176.600 0.017 0.000 0.992 1051 E CA 1.130 57.536 56.400 0.010 0.000 0.804 1051 E CB -0.057 29.647 29.700 0.007 0.000 0.741 1051 E HN 0.356 nan 8.360 nan 0.000 0.458 1052 A N 1.010 123.838 122.820 0.013 0.000 1.929 1052 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 1052 A C 2.424 180.024 177.584 0.027 0.000 1.176 1052 A CA 1.423 53.471 52.037 0.017 0.000 0.628 1052 A CB -0.944 18.062 19.000 0.011 0.000 0.816 1052 A HN 0.351 nan 8.150 nan 0.000 0.444 1053 G N -0.804 108.010 108.800 0.022 0.000 2.422 1053 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.218 1053 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.218 1053 G C 1.608 176.544 174.900 0.060 0.000 1.146 1053 G CA 1.079 46.196 45.100 0.029 0.000 0.769 1053 G HN 0.617 nan 8.290 nan 0.000 0.547 1054 Q N 0.037 119.868 119.800 0.051 0.000 2.167 1054 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 1054 Q C 2.578 178.654 176.000 0.125 0.000 0.970 1054 Q CA 1.438 57.294 55.803 0.088 0.000 0.855 1054 Q CB -0.416 28.353 28.738 0.052 0.000 0.911 1054 Q HN 0.385 nan 8.270 nan 0.000 0.438 1055 G N -0.050 108.794 108.800 0.075 0.000 2.403 1055 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 1055 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 1055 G C 1.407 176.338 174.900 0.053 0.000 1.154 1055 G CA 0.603 45.736 45.100 0.055 0.000 0.784 1055 G HN 0.453 nan 8.290 nan 0.000 0.538 1056 A N 0.021 122.879 122.820 0.063 0.000 1.930 1056 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 1056 A C 2.105 179.731 177.584 0.069 0.000 1.175 1056 A CA 1.529 53.596 52.037 0.050 0.000 0.627 1056 A CB -0.661 18.369 19.000 0.050 0.000 0.815 1056 A HN 0.483 nan 8.150 nan 0.000 0.443 1057 Y N 1.159 121.451 120.300 -0.014 0.000 2.070 1057 Y HA -0.278 4.272 4.550 -0.000 0.000 0.280 1057 Y C 1.942 177.835 175.900 -0.011 0.000 1.148 1057 Y CA 2.081 60.171 58.100 -0.017 0.000 1.125 1057 Y CB -0.106 38.347 38.460 -0.010 0.000 0.975 1057 Y HN 0.350 nan 8.280 nan 0.000 0.492 1058 D N 0.305 120.661 120.400 -0.073 0.000 2.182 1058 D HA -0.188 4.451 4.640 -0.000 0.000 0.201 1058 D C 2.133 178.349 176.300 -0.141 0.000 0.986 1058 D CA 1.324 55.234 54.000 -0.149 0.000 0.847 1058 D CB -0.543 40.251 40.800 -0.010 0.000 0.942 1058 D HN 0.522 nan 8.370 nan 0.000 0.467 1059 A N 0.394 123.162 122.820 -0.086 0.000 2.014 1059 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 1059 A C 2.111 179.636 177.584 -0.099 0.000 1.163 1059 A CA 1.032 53.028 52.037 -0.069 0.000 0.652 1059 A CB -0.321 18.658 19.000 -0.034 0.000 0.808 1059 A HN 0.177 nan 8.150 nan 0.000 0.449 1060 Q N -0.730 118.982 119.800 -0.147 0.000 2.123 1060 Q HA -0.036 4.303 4.340 -0.000 0.000 0.196 1060 Q C 2.094 177.965 176.000 -0.215 0.000 0.958 1060 Q CA 1.231 56.935 55.803 -0.165 0.000 0.841 1060 Q CB -0.159 28.483 28.738 -0.160 0.000 0.915 1060 Q HN 0.454 nan 8.270 nan 0.000 0.455 1061 V N 1.568 121.287 119.914 -0.324 0.000 2.332 1061 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 1061 V C 2.260 178.302 176.094 -0.086 0.000 1.055 1061 V CA 2.034 64.199 62.300 -0.225 0.000 1.038 1061 V CB -0.456 31.175 31.823 -0.320 0.000 0.651 1061 V HN 0.262 nan 8.190 nan 0.000 0.450 1062 K N 0.917 121.255 120.400 -0.102 0.000 2.097 1062 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 1062 K C 1.841 178.414 176.600 -0.045 0.000 1.049 1062 K CA 1.622 57.874 56.287 -0.059 0.000 0.933 1062 K CB -0.546 31.921 32.500 -0.055 0.000 0.717 1062 K HN 0.401 nan 8.250 nan 0.000 0.442 1063 N N 1.358 120.024 118.700 -0.057 0.000 2.104 1063 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 1063 N C 1.067 176.561 175.510 -0.027 0.000 1.024 1063 N CA 1.578 54.601 53.050 -0.044 0.000 0.853 1063 N CB -0.409 38.046 38.487 -0.053 0.000 1.008 1063 N HN 0.328 nan 8.380 nan 0.000 0.424 1064 D N 0.894 121.287 120.400 -0.011 0.000 2.117 1064 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 1064 D C 1.738 178.062 176.300 0.040 0.000 0.987 1064 D CA 0.826 54.859 54.000 0.054 0.000 0.829 1064 D CB -0.212 40.726 40.800 0.230 0.000 0.961 1064 D HN 0.441 nan 8.370 nan 0.000 0.460 1065 E N 0.340 120.552 120.200 0.020 0.000 2.077 1065 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 1065 E C 2.105 178.683 176.600 -0.036 0.000 0.989 1065 E CA 0.727 57.120 56.400 -0.013 0.000 0.800 1065 E CB -0.016 29.672 29.700 -0.020 0.000 0.746 1065 E HN 0.377 nan 8.360 nan 0.000 0.452 1066 Q N 0.354 120.131 119.800 -0.038 0.000 2.224 1066 Q HA -0.147 4.193 4.340 -0.000 0.000 0.203 1066 Q C 1.475 177.437 176.000 -0.064 0.000 0.970 1066 Q CA 0.855 56.624 55.803 -0.056 0.000 0.865 1066 Q CB 0.121 28.833 28.738 -0.043 0.000 0.922 1066 Q HN 0.186 nan 8.270 nan 0.000 0.445 1067 D N -0.089 120.286 120.400 -0.041 0.000 2.144 1067 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 1067 D C 1.864 178.135 176.300 -0.049 0.000 0.984 1067 D CA 0.743 54.721 54.000 -0.037 0.000 0.834 1067 D CB 0.054 40.845 40.800 -0.016 0.000 0.955 1067 D HN 0.026 nan 8.370 nan 0.000 0.465 1068 V N 0.714 120.598 119.914 -0.049 0.000 2.237 1068 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 1068 V C 2.435 178.469 176.094 -0.100 0.000 1.046 1068 V CA 1.933 64.199 62.300 -0.056 0.000 1.007 1068 V CB -0.543 31.251 31.823 -0.049 0.000 0.638 1068 V HN 0.209 nan 8.190 nan 0.000 0.445 1069 E N -0.113 119.999 120.200 -0.147 0.000 2.085 1069 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 1069 E C 2.223 178.570 176.600 -0.422 0.000 0.994 1069 E CA 1.446 57.672 56.400 -0.291 0.000 0.801 1069 E CB -0.164 29.354 29.700 -0.303 0.000 0.743 1069 E HN 0.544 nan 8.360 nan 0.000 0.453 1070 L N 0.157 121.231 121.223 -0.249 0.000 1.994 1070 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 1070 L C 2.643 179.469 176.870 -0.073 0.000 1.071 1070 L CA 1.201 55.947 54.840 -0.155 0.000 0.745 1070 L CB -0.487 41.530 42.059 -0.071 0.000 0.892 1070 L HN 0.249 nan 8.230 nan 0.000 0.431 1071 A N -0.470 122.315 122.820 -0.058 0.000 1.978 1071 A HA -0.299 4.021 4.320 -0.000 0.000 0.220 1071 A C 1.933 179.515 177.584 -0.003 0.000 1.170 1071 A CA 2.190 54.215 52.037 -0.020 0.000 0.636 1071 A CB -0.599 18.389 19.000 -0.020 0.000 0.810 1071 A HN 0.475 nan 8.150 nan 0.000 0.448 1072 D N -1.374 119.011 120.400 -0.024 0.000 2.123 1072 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 1072 D C 1.738 178.122 176.300 0.141 0.000 0.976 1072 D CA 1.278 55.296 54.000 0.031 0.000 0.831 1072 D CB -0.228 40.578 40.800 0.009 0.000 0.974 1072 D HN 0.514 nan 8.370 nan 0.000 0.469 1073 H N -0.034 119.033 119.070 -0.006 0.000 2.353 1073 H HA -0.018 4.538 4.556 -0.000 0.000 0.300 1073 H C 1.841 177.165 175.328 -0.007 0.000 1.090 1073 H CA 1.426 57.470 56.048 -0.007 0.000 1.327 1073 H CB -0.476 29.283 29.762 -0.006 0.000 1.383 1073 H HN 0.237 nan 8.280 nan 0.000 0.508 1074 E N 0.904 121.180 120.200 0.126 0.000 2.033 1074 E HA -0.166 4.184 4.350 -0.000 0.000 0.199 1074 E C 2.388 179.013 176.600 0.042 0.000 1.011 1074 E CA 1.604 58.041 56.400 0.062 0.000 0.815 1074 E CB -0.481 29.241 29.700 0.037 0.000 0.755 1074 E HN 0.351 nan 8.360 nan 0.000 0.451 1075 A N 0.772 123.616 122.820 0.040 0.000 1.883 1075 A HA -0.234 4.085 4.320 -0.000 0.000 0.217 1075 A C 2.318 179.915 177.584 0.021 0.000 1.186 1075 A CA 2.024 54.076 52.037 0.025 0.000 0.624 1075 A CB -0.614 18.400 19.000 0.023 0.000 0.822 1075 A HN 0.255 nan 8.150 nan 0.000 0.444 1076 R N -0.829 119.691 120.500 0.034 0.000 2.092 1076 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 1076 R C 2.041 178.336 176.300 -0.008 0.000 1.119 1076 R CA 1.437 57.545 56.100 0.013 0.000 0.970 1076 R CB -0.445 29.867 30.300 0.019 0.000 0.864 1076 R HN 0.595 nan 8.270 nan 0.000 0.440 1077 I N 0.977 121.545 120.570 -0.003 0.000 2.252 1077 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 1077 I C 2.167 178.275 176.117 -0.016 0.000 1.102 1077 I CA 1.414 62.704 61.300 -0.017 0.000 1.385 1077 I CB -0.191 37.804 38.000 -0.007 0.000 1.064 1077 I HN 0.128 nan 8.210 nan 0.000 0.414 1078 K N 0.220 120.617 120.400 -0.006 0.000 2.009 1078 K HA -0.286 4.034 4.320 -0.000 0.000 0.210 1078 K C 2.172 178.760 176.600 -0.019 0.000 1.049 1078 K CA 1.669 57.950 56.287 -0.010 0.000 0.929 1078 K CB -0.273 32.225 32.500 -0.003 0.000 0.714 1078 K HN 0.119 nan 8.250 nan 0.000 0.440 1079 Q N 1.331 121.120 119.800 -0.018 0.000 2.096 1079 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 1079 Q C 1.893 177.865 176.000 -0.046 0.000 0.982 1079 Q CA 1.452 57.239 55.803 -0.027 0.000 0.850 1079 Q CB -0.262 28.464 28.738 -0.020 0.000 0.901 1079 Q HN 0.297 nan 8.270 nan 0.000 0.422 1080 L N -0.221 120.974 121.223 -0.046 0.000 2.017 1080 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 1080 L C 2.542 179.369 176.870 -0.072 0.000 1.073 1080 L CA 1.489 56.291 54.840 -0.064 0.000 0.745 1080 L CB -0.453 41.574 42.059 -0.052 0.000 0.894 1080 L HN 0.209 nan 8.230 nan 0.000 0.432 1081 R N 1.023 121.493 120.500 -0.051 0.000 2.083 1081 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 1081 R C 2.001 178.268 176.300 -0.056 0.000 1.137 1081 R CA 1.775 57.848 56.100 -0.046 0.000 0.951 1081 R CB -0.833 29.449 30.300 -0.029 0.000 0.851 1081 R HN 0.302 nan 8.270 nan 0.000 0.434 1082 I N 0.632 121.170 120.570 -0.053 0.000 2.163 1082 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 1082 I C 1.570 177.634 176.117 -0.088 0.000 1.085 1082 I CA 1.809 63.078 61.300 -0.053 0.000 1.347 1082 I CB -0.437 37.539 38.000 -0.040 0.000 1.044 1082 I HN 0.203 nan 8.210 nan 0.000 0.408 1083 D N 0.413 120.731 120.400 -0.135 0.000 2.117 1083 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 1083 D C 2.338 178.402 176.300 -0.394 0.000 0.987 1083 D CA 1.069 54.911 54.000 -0.264 0.000 0.829 1083 D CB -0.387 40.242 40.800 -0.286 0.000 0.961 1083 D HN 0.113 nan 8.370 nan 0.000 0.460 1084 V N 1.217 120.978 119.914 -0.256 0.000 2.407 1084 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 1084 V C 1.704 177.760 176.094 -0.064 0.000 1.055 1084 V CA 1.644 63.844 62.300 -0.166 0.000 1.049 1084 V CB -0.360 31.415 31.823 -0.080 0.000 0.662 1084 V HN 0.056 nan 8.190 nan 0.000 0.455 1085 D N -0.388 119.979 120.400 -0.055 0.000 2.178 1085 D HA -0.146 4.493 4.640 -0.000 0.000 0.202 1085 D C 1.895 178.199 176.300 0.007 0.000 0.974 1085 D CA 1.340 55.331 54.000 -0.015 0.000 0.841 1085 D CB -0.192 40.597 40.800 -0.017 0.000 0.953 1085 D HN 0.546 nan 8.370 nan 0.000 0.478 1086 D N -0.733 119.662 120.400 -0.008 0.000 2.097 1086 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 1086 D C 1.774 178.160 176.300 0.143 0.000 0.984 1086 D CA 1.172 55.200 54.000 0.045 0.000 0.826 1086 D CB -0.030 40.788 40.800 0.031 0.000 0.973 1086 D HN 0.369 nan 8.370 nan 0.000 0.460 1087 H N -0.981 118.088 119.070 -0.002 0.000 2.387 1087 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 1087 H C 1.787 177.114 175.328 -0.002 0.000 1.099 1087 H CA 1.044 57.090 56.048 -0.003 0.000 1.315 1087 H CB 0.209 29.969 29.762 -0.003 0.000 1.380 1087 H HN 0.173 nan 8.280 nan 0.000 0.513 1088 E N 0.993 121.269 120.200 0.127 0.000 2.058 1088 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 1088 E C 2.327 178.954 176.600 0.046 0.000 0.997 1088 E CA 1.612 58.051 56.400 0.065 0.000 0.801 1088 E CB -0.156 29.568 29.700 0.040 0.000 0.746 1088 E HN 0.158 nan 8.360 nan 0.000 0.450 1089 S N -0.086 115.641 115.700 0.045 0.000 2.382 1089 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 1089 S C 1.933 176.549 174.600 0.026 0.000 1.027 1089 S CA 1.274 59.492 58.200 0.030 0.000 0.991 1089 S CB -0.206 63.011 63.200 0.028 0.000 0.823 1089 S HN 0.246 nan 8.310 nan 0.000 0.469 1090 R N 0.678 121.198 120.500 0.034 0.000 2.055 1090 R HA 0.150 4.490 4.340 -0.000 0.000 0.228 1090 R C 2.276 178.573 176.300 -0.006 0.000 1.143 1090 R CA 1.213 57.320 56.100 0.010 0.000 0.945 1090 R CB -0.511 29.790 30.300 0.002 0.000 0.841 1090 R HN 0.314 nan 8.270 nan 0.000 0.429 1091 I N 0.541 121.106 120.570 -0.009 0.000 2.185 1091 I HA -0.356 3.814 4.170 -0.000 0.000 0.246 1091 I C 2.053 178.167 176.117 -0.006 0.000 1.088 1091 I CA 1.545 62.836 61.300 -0.016 0.000 1.347 1091 I CB -0.468 37.527 38.000 -0.008 0.000 1.041 1091 I HN 0.276 nan 8.210 nan 0.000 0.415 1092 T N 0.465 115.021 114.554 0.004 0.000 2.788 1092 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 1092 T C 1.982 176.683 174.700 0.001 0.000 1.044 1092 T CA 1.432 63.534 62.100 0.004 0.000 1.139 1092 T CB -0.227 68.646 68.868 0.008 0.000 0.867 1092 T HN 0.517 nan 8.240 nan 0.000 0.454 1093 A N 1.739 124.559 122.820 0.000 0.000 1.930 1093 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 1093 A C 2.155 179.736 177.584 -0.005 0.000 1.175 1093 A CA 1.529 53.566 52.037 -0.001 0.000 0.627 1093 A CB -0.689 18.311 19.000 0.000 0.000 0.815 1093 A HN 0.587 nan 8.150 nan 0.000 0.443 1094 N N -0.789 117.905 118.700 -0.009 0.000 2.106 1094 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 1094 N C 1.565 177.069 175.510 -0.010 0.000 1.029 1094 N CA 1.645 54.688 53.050 -0.012 0.000 0.848 1094 N CB -0.217 38.258 38.487 -0.020 0.000 1.007 1094 N HN 0.406 nan 8.380 nan 0.000 0.423 1095 T N 0.874 115.423 114.554 -0.009 0.000 2.833 1095 T HA -0.127 4.222 4.350 -0.000 0.000 0.269 1095 T C 1.754 176.451 174.700 -0.005 0.000 1.054 1095 T CA 1.103 63.199 62.100 -0.007 0.000 1.135 1095 T CB -0.014 68.852 68.868 -0.005 0.000 0.869 1095 T HN 0.225 nan 8.240 nan 0.000 0.466 1096 K N 0.504 120.902 120.400 -0.004 0.000 2.116 1096 K HA 0.166 4.486 4.320 -0.000 0.000 0.203 1096 K C 2.459 179.057 176.600 -0.003 0.000 1.052 1096 K CA 0.762 57.047 56.287 -0.003 0.000 0.952 1096 K CB -0.140 32.359 32.500 -0.001 0.000 0.729 1096 K HN 0.255 nan 8.250 nan 0.000 0.446 1097 A N 1.112 123.929 122.820 -0.004 0.000 1.929 1097 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 1097 A C 1.979 179.560 177.584 -0.005 0.000 1.176 1097 A CA 1.038 53.072 52.037 -0.005 0.000 0.628 1097 A CB -0.456 18.541 19.000 -0.006 0.000 0.816 1097 A HN 0.266 nan 8.150 nan 0.000 0.444 1098 I N -0.302 120.264 120.570 -0.006 0.000 2.226 1098 I HA -0.223 3.946 4.170 -0.000 0.000 0.245 1098 I C 2.528 178.643 176.117 -0.005 0.000 1.100 1098 I CA 1.703 63.000 61.300 -0.006 0.000 1.374 1098 I CB -0.636 37.360 38.000 -0.007 0.000 1.057 1098 I HN 0.254 nan 8.210 nan 0.000 0.413 1099 T N 0.851 115.403 114.554 -0.004 0.000 2.708 1099 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 1099 T C 2.085 176.783 174.700 -0.003 0.000 1.037 1099 T CA 1.513 63.611 62.100 -0.003 0.000 1.146 1099 T CB -0.332 68.534 68.868 -0.003 0.000 0.865 1099 T HN 0.481 nan 8.240 nan 0.000 0.435 1100 A N 1.099 123.917 122.820 -0.003 0.000 1.933 1100 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 1100 A C 2.307 179.890 177.584 -0.003 0.000 1.175 1100 A CA 1.167 53.202 52.037 -0.003 0.000 0.628 1100 A CB -0.865 18.133 19.000 -0.002 0.000 0.814 1100 A HN 0.474 nan 8.150 nan 0.000 0.444 1101 L N -0.689 120.532 121.223 -0.003 0.000 2.131 1101 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 1101 L C 2.441 179.309 176.870 -0.003 0.000 1.092 1101 L CA 1.546 56.384 54.840 -0.004 0.000 0.759 1101 L CB -0.444 41.613 42.059 -0.004 0.000 0.903 1101 L HN 0.526 nan 8.230 nan 0.000 0.435 1102 N N -0.260 118.438 118.700 -0.003 0.000 2.216 1102 N HA -0.152 4.588 4.740 -0.000 0.000 0.183 1102 N C 1.774 177.283 175.510 -0.003 0.000 1.017 1102 N CA 1.345 54.394 53.050 -0.003 0.000 0.861 1102 N CB 0.085 38.571 38.487 -0.003 0.000 0.986 1102 N HN 0.234 nan 8.380 nan 0.000 0.428 1103 V N -1.705 118.208 119.914 -0.002 0.000 2.515 1103 V HA -0.040 4.080 4.120 -0.000 0.000 0.250 1103 V C 2.112 178.205 176.094 -0.002 0.000 1.058 1103 V CA 1.275 63.574 62.300 -0.002 0.000 1.064 1103 V CB -0.612 31.210 31.823 -0.002 0.000 0.675 1103 V HN 0.186 nan 8.190 nan 0.000 0.461 1104 R N 0.252 120.751 120.500 -0.002 0.000 2.062 1104 R HA 0.059 4.399 4.340 -0.000 0.000 0.229 1104 R C 2.379 178.677 176.300 -0.002 0.000 1.128 1104 R CA 1.413 57.512 56.100 -0.002 0.000 0.960 1104 R CB -0.535 29.764 30.300 -0.002 0.000 0.855 1104 R HN 0.473 nan 8.270 nan 0.000 0.432 1105 V N 0.657 120.570 119.914 -0.003 0.000 2.490 1105 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 1105 V C 2.026 178.118 176.094 -0.002 0.000 1.061 1105 V CA 2.052 64.350 62.300 -0.003 0.000 1.064 1105 V CB -0.461 31.360 31.823 -0.003 0.000 0.670 1105 V HN 0.418 nan 8.190 nan 0.000 0.461 1106 T N -0.540 114.012 114.554 -0.002 0.000 2.777 1106 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 1106 T C 1.990 176.689 174.700 -0.002 0.000 1.040 1106 T CA 2.031 64.130 62.100 -0.002 0.000 1.141 1106 T CB -0.336 68.530 68.868 -0.002 0.000 0.868 1106 T HN 0.530 nan 8.240 nan 0.000 0.444 1107 T N 2.106 116.659 114.554 -0.002 0.000 2.708 1107 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 1107 T C 2.396 177.094 174.700 -0.002 0.000 1.037 1107 T CA 1.220 63.319 62.100 -0.002 0.000 1.146 1107 T CB -0.565 68.302 68.868 -0.002 0.000 0.865 1107 T HN 0.419 nan 8.240 nan 0.000 0.435 1108 A N 1.379 124.198 122.820 -0.002 0.000 1.972 1108 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 1108 A C 2.176 179.759 177.584 -0.002 0.000 1.169 1108 A CA 1.514 53.550 52.037 -0.002 0.000 0.635 1108 A CB -0.490 18.508 19.000 -0.002 0.000 0.810 1108 A HN 0.575 nan 8.150 nan 0.000 0.446 1109 E N -0.722 119.477 120.200 -0.002 0.000 2.106 1109 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 1109 E C 2.164 178.763 176.600 -0.002 0.000 0.984 1109 E CA 0.712 57.111 56.400 -0.002 0.000 0.806 1109 E CB -0.310 29.389 29.700 -0.002 0.000 0.750 1109 E HN 0.618 nan 8.360 nan 0.000 0.458 1110 G N 1.290 110.089 108.800 -0.002 0.000 2.404 1110 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.215 1110 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.215 1110 G C 1.287 176.186 174.900 -0.002 0.000 1.174 1110 G CA 0.640 45.739 45.100 -0.002 0.000 0.780 1110 G HN 0.195 nan 8.290 nan 0.000 0.537 1111 E N 0.109 120.308 120.200 -0.002 0.000 2.058 1111 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 1111 E C 2.480 179.079 176.600 -0.002 0.000 0.997 1111 E CA 0.845 57.243 56.400 -0.002 0.000 0.801 1111 E CB -0.201 29.498 29.700 -0.002 0.000 0.746 1111 E HN 0.473 nan 8.360 nan 0.000 0.450 1112 I N 1.024 121.592 120.570 -0.002 0.000 2.264 1112 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 1112 I C 2.503 178.618 176.117 -0.002 0.000 1.111 1112 I CA 0.936 62.235 61.300 -0.002 0.000 1.382 1112 I CB -0.296 37.703 38.000 -0.002 0.000 1.060 1112 I HN 0.112 nan 8.210 nan 0.000 0.418 1113 A N -0.208 122.611 122.820 -0.002 0.000 1.902 1113 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 1113 A C 2.492 180.075 177.584 -0.002 0.000 1.181 1113 A CA 2.140 54.176 52.037 -0.002 0.000 0.623 1113 A CB -0.748 18.251 19.000 -0.002 0.000 0.818 1113 A HN 0.429 nan 8.150 nan 0.000 0.443 1114 S N -0.555 115.144 115.700 -0.002 0.000 2.383 1114 S HA -0.070 4.399 4.470 -0.000 0.000 0.227 1114 S C 1.953 176.552 174.600 -0.002 0.000 1.026 1114 S CA 1.300 59.499 58.200 -0.002 0.000 0.981 1114 S CB -0.481 62.717 63.200 -0.002 0.000 0.818 1114 S HN 0.475 nan 8.310 nan 0.000 0.472 1115 L N 0.902 122.124 121.223 -0.002 0.000 2.027 1115 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 1115 L C 2.978 179.847 176.870 -0.002 0.000 1.074 1115 L CA 1.559 56.398 54.840 -0.002 0.000 0.745 1115 L CB -0.608 41.450 42.059 -0.002 0.000 0.898 1115 L HN 0.395 nan 8.230 nan 0.000 0.433 1116 Q N -0.792 119.006 119.800 -0.002 0.000 2.135 1116 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 1116 Q C 2.155 178.154 176.000 -0.002 0.000 0.981 1116 Q CA 2.092 57.894 55.803 -0.002 0.000 0.856 1116 Q CB -0.323 28.414 28.738 -0.002 0.000 0.902 1116 Q HN 0.488 nan 8.270 nan 0.000 0.425 1117 T N 1.090 115.642 114.554 -0.002 0.000 2.643 1117 T HA -0.133 4.217 4.350 -0.000 0.000 0.264 1117 T C 1.504 176.203 174.700 -0.002 0.000 1.045 1117 T CA 1.565 63.664 62.100 -0.002 0.000 1.155 1117 T CB -0.308 68.559 68.868 -0.002 0.000 0.863 1117 T HN 0.262 nan 8.240 nan 0.000 0.420 1118 N N 0.833 119.532 118.700 -0.002 0.000 2.104 1118 N HA -0.063 4.677 4.740 -0.000 0.000 0.190 1118 N C 1.851 177.359 175.510 -0.003 0.000 1.024 1118 N CA 0.642 53.690 53.050 -0.003 0.000 0.853 1118 N CB -0.903 37.582 38.487 -0.003 0.000 1.008 1118 N HN 0.146 nan 8.380 nan 0.000 0.424 1119 V N 0.165 120.077 119.914 -0.003 0.000 2.490 1119 V HA -0.167 3.953 4.120 -0.000 0.000 0.250 1119 V C 2.420 178.512 176.094 -0.003 0.000 1.061 1119 V CA 1.647 63.945 62.300 -0.003 0.000 1.064 1119 V CB -0.542 31.279 31.823 -0.003 0.000 0.670 1119 V HN 0.375 nan 8.190 nan 0.000 0.461 1120 S N -0.245 115.453 115.700 -0.003 0.000 2.371 1120 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 1120 S C 2.157 176.755 174.600 -0.003 0.000 1.029 1120 S CA 1.412 59.611 58.200 -0.003 0.000 0.978 1120 S CB -0.227 62.971 63.200 -0.003 0.000 0.833 1120 S HN 0.603 nan 8.310 nan 0.000 0.466 1121 A N 1.159 123.977 122.820 -0.003 0.000 1.933 1121 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 1121 A C 2.073 179.655 177.584 -0.004 0.000 1.175 1121 A CA 1.308 53.343 52.037 -0.003 0.000 0.628 1121 A CB -0.763 18.235 19.000 -0.003 0.000 0.814 1121 A HN 0.514 nan 8.150 nan 0.000 0.444 1122 L N 0.201 121.422 121.223 -0.004 0.000 2.046 1122 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 1122 L C 2.069 178.936 176.870 -0.005 0.000 1.077 1122 L CA 2.321 57.158 54.840 -0.004 0.000 0.747 1122 L CB -0.757 41.299 42.059 -0.004 0.000 0.896 1122 L HN 0.513 nan 8.230 nan 0.000 0.432 1123 D N -1.107 119.291 120.400 -0.004 0.000 2.123 1123 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 1123 D C 2.164 178.461 176.300 -0.005 0.000 0.992 1123 D CA 1.451 55.449 54.000 -0.004 0.000 0.833 1123 D CB -0.299 40.498 40.800 -0.004 0.000 0.954 1123 D HN 0.311 nan 8.370 nan 0.000 0.455 1124 G N -0.082 108.715 108.800 -0.004 0.000 2.421 1124 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 1124 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 1124 G C 1.818 176.715 174.900 -0.005 0.000 1.171 1124 G CA 0.698 45.796 45.100 -0.004 0.000 0.775 1124 G HN 0.264 nan 8.290 nan 0.000 0.543 1125 R N -0.232 120.265 120.500 -0.005 0.000 2.081 1125 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 1125 R C 2.617 178.913 176.300 -0.007 0.000 1.131 1125 R CA 1.170 57.267 56.100 -0.006 0.000 0.960 1125 R CB -0.574 29.722 30.300 -0.006 0.000 0.856 1125 R HN 0.293 nan 8.270 nan 0.000 0.436 1126 V N 0.405 120.315 119.914 -0.007 0.000 2.427 1126 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 1126 V C 2.080 178.169 176.094 -0.009 0.000 1.051 1126 V CA 2.057 64.352 62.300 -0.008 0.000 1.048 1126 V CB -0.430 31.388 31.823 -0.008 0.000 0.666 1126 V HN 0.394 nan 8.190 nan 0.000 0.456 1127 T N -0.616 113.933 114.554 -0.007 0.000 2.821 1127 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 1127 T C 1.976 176.672 174.700 -0.008 0.000 1.046 1127 T CA 1.988 64.084 62.100 -0.007 0.000 1.139 1127 T CB -0.279 68.586 68.868 -0.006 0.000 0.871 1127 T HN 0.518 nan 8.240 nan 0.000 0.454 1128 T N 1.858 116.408 114.554 -0.008 0.000 2.777 1128 T HA 0.013 4.363 4.350 -0.000 0.000 0.266 1128 T C 2.385 177.079 174.700 -0.010 0.000 1.040 1128 T CA 1.103 63.198 62.100 -0.008 0.000 1.141 1128 T CB -0.470 68.394 68.868 -0.007 0.000 0.868 1128 T HN 0.412 nan 8.240 nan 0.000 0.444 1129 A N 1.627 124.440 122.820 -0.012 0.000 1.877 1129 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 1129 A C 2.163 179.736 177.584 -0.019 0.000 1.186 1129 A CA 1.685 53.713 52.037 -0.015 0.000 0.620 1129 A CB -0.614 18.377 19.000 -0.015 0.000 0.822 1129 A HN 0.555 nan 8.150 nan 0.000 0.443 1130 E N -0.223 119.967 120.200 -0.016 0.000 2.160 1130 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 1130 E C 1.777 178.366 176.600 -0.018 0.000 0.991 1130 E CA 1.370 57.759 56.400 -0.018 0.000 0.810 1130 E CB -0.282 29.410 29.700 -0.013 0.000 0.742 1130 E HN 0.752 nan 8.360 nan 0.000 0.466 1131 N N 0.228 118.920 118.700 -0.014 0.000 2.300 1131 N HA -0.065 4.675 4.740 -0.000 0.000 0.179 1131 N C 1.588 177.089 175.510 -0.014 0.000 1.016 1131 N CA 0.251 53.294 53.050 -0.012 0.000 0.876 1131 N CB 0.110 38.593 38.487 -0.008 0.000 0.979 1131 N HN 0.097 nan 8.380 nan 0.000 0.432 1132 N N 1.417 120.107 118.700 -0.018 0.000 2.171 1132 N HA -0.023 4.716 4.740 -0.000 0.000 0.184 1132 N C 1.786 177.276 175.510 -0.033 0.000 1.021 1132 N CA 0.708 53.745 53.050 -0.021 0.000 0.854 1132 N CB -0.134 38.341 38.487 -0.020 0.000 0.994 1132 N HN 0.254 nan 8.380 nan 0.000 0.426 1133 I N 0.341 120.887 120.570 -0.041 0.000 2.179 1133 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 1133 I C 2.456 178.535 176.117 -0.063 0.000 1.088 1133 I CA 0.921 62.184 61.300 -0.063 0.000 1.357 1133 I CB -0.346 37.620 38.000 -0.058 0.000 1.051 1133 I HN 0.086 nan 8.210 nan 0.000 0.409 1134 S N 0.495 116.172 115.700 -0.038 0.000 2.383 1134 S HA -0.184 4.285 4.470 -0.000 0.000 0.229 1134 S C 2.140 176.730 174.600 -0.016 0.000 1.030 1134 S CA 1.492 59.676 58.200 -0.025 0.000 1.002 1134 S CB -0.172 63.020 63.200 -0.013 0.000 0.829 1134 S HN 0.486 nan 8.310 nan 0.000 0.467 1135 A N 0.862 123.674 122.820 -0.014 0.000 1.929 1135 A HA 0.180 4.500 4.320 -0.000 0.000 0.216 1135 A C 2.174 179.761 177.584 0.005 0.000 1.176 1135 A CA 0.960 52.998 52.037 0.001 0.000 0.628 1135 A CB -0.594 18.407 19.000 0.001 0.000 0.816 1135 A HN 0.557 nan 8.150 nan 0.000 0.444 1136 L N -0.882 120.324 121.223 -0.029 0.000 2.093 1136 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 1136 L C 2.785 179.604 176.870 -0.085 0.000 1.085 1136 L CA 1.238 56.047 54.840 -0.051 0.000 0.755 1136 L CB -0.371 41.619 42.059 -0.115 0.000 0.904 1136 L HN 0.474 nan 8.230 nan 0.000 0.435 1137 Q N -0.697 119.031 119.800 -0.121 0.000 2.224 1137 Q HA -0.113 4.227 4.340 -0.000 0.000 0.203 1137 Q C 1.966 178.072 176.000 0.176 0.000 0.970 1137 Q CA 1.317 57.063 55.803 -0.095 0.000 0.865 1137 Q CB -0.047 28.645 28.738 -0.076 0.000 0.922 1137 Q HN 0.525 nan 8.270 nan 0.000 0.445 1138 A N -0.232 122.661 122.820 0.121 0.000 2.308 1138 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 1138 A C 0.920 178.580 177.584 0.126 0.000 1.216 1138 A CA 0.700 52.808 52.037 0.118 0.000 0.864 1138 A CB 0.356 19.393 19.000 0.062 0.000 0.902 1138 A HN 0.226 nan 8.150 nan 0.000 0.499 1139 D N -2.117 118.388 120.400 0.174 0.000 2.502 1139 D HA 0.143 4.782 4.640 -0.000 0.000 0.232 1139 D C 0.343 176.746 176.300 0.172 0.000 1.137 1139 D CA -0.336 53.743 54.000 0.132 0.000 0.827 1139 D CB 0.126 40.978 40.800 0.087 0.000 1.141 1139 D HN 0.537 nan 8.370 nan 0.000 0.517 1140 Y N -0.372 119.929 120.300 0.003 0.000 2.300 1140 Y HA 0.567 5.117 4.550 -0.000 0.000 0.328 1140 Y C -0.187 175.716 175.900 0.004 0.000 1.270 1140 Y CA -1.398 56.704 58.100 0.003 0.000 1.352 1140 Y CB 0.728 39.190 38.460 0.002 0.000 1.286 1140 Y HN -0.355 nan 8.280 nan 0.000 0.536 1141 V N 3.711 123.469 119.914 -0.259 0.000 2.455 1141 V HA 0.097 4.217 4.120 -0.000 0.000 0.273 1141 V C 0.229 176.021 176.094 -0.503 0.000 1.045 1141 V CA -0.216 61.890 62.300 -0.324 0.000 0.976 1141 V CB 0.776 32.526 31.823 -0.121 0.000 0.993 1141 V HN 0.847 nan 8.190 nan 0.000 0.475 1142 S N 4.007 119.388 115.700 -0.532 0.000 2.525 1142 S HA 0.372 4.842 4.470 -0.000 0.000 0.278 1142 S C 0.733 175.242 174.600 -0.152 0.000 1.234 1142 S CA -0.677 57.288 58.200 -0.391 0.000 1.058 1142 S CB 0.875 63.861 63.200 -0.357 0.000 0.983 1142 S HN 0.755 nan 8.310 nan 0.000 0.495 1143 K N 2.507 122.866 120.400 -0.068 0.000 2.404 1143 K HA 0.141 4.461 4.320 -0.000 0.000 0.194 1143 K C 0.871 177.462 176.600 -0.016 0.000 1.023 1143 K CA 0.257 56.527 56.287 -0.028 0.000 1.094 1143 K CB 0.321 32.820 32.500 -0.001 0.000 0.841 1143 K HN 0.530 nan 8.250 nan 0.000 0.523 1144 T N 0.225 114.768 114.554 -0.019 0.000 3.026 1144 T HA 0.169 4.519 4.350 -0.000 0.000 0.245 1144 T C 0.652 175.343 174.700 -0.016 0.000 1.004 1144 T CA -0.149 61.948 62.100 -0.004 0.000 1.069 1144 T CB 0.291 69.170 68.868 0.018 0.000 1.005 1144 T HN 0.191 nan 8.240 nan 0.000 0.472 1145 A N 2.326 125.125 122.820 -0.036 0.000 2.565 1145 A HA 0.277 4.597 4.320 -0.000 0.000 0.237 1145 A C 1.515 179.082 177.584 -0.029 0.000 1.053 1145 A CA 0.702 52.717 52.037 -0.038 0.000 0.755 1145 A CB -0.064 18.895 19.000 -0.069 0.000 0.980 1145 A HN 0.487 nan 8.150 nan 0.000 0.506 1146 T N -0.695 113.847 114.554 -0.020 0.000 3.023 1146 T HA 0.174 4.524 4.350 -0.000 0.000 0.253 1146 T C 0.596 175.287 174.700 -0.016 0.000 1.038 1146 T CA 0.676 62.767 62.100 -0.015 0.000 0.962 1146 T CB -0.286 68.577 68.868 -0.009 0.000 1.018 1146 T HN 0.581 nan 8.240 nan 0.000 0.521 1147 T N 3.051 117.593 114.554 -0.019 0.000 2.889 1147 T HA 0.463 4.813 4.350 -0.000 0.000 0.291 1147 T C 0.215 174.902 174.700 -0.022 0.000 0.995 1147 T CA -0.524 61.566 62.100 -0.017 0.000 1.092 1147 T CB 1.296 70.154 68.868 -0.016 0.000 0.954 1147 T HN 0.246 nan 8.240 nan 0.000 0.506 1148 S N 2.656 118.345 115.700 -0.018 0.000 2.571 1148 S HA 0.007 4.477 4.470 -0.000 0.000 0.298 1148 S C 0.215 174.800 174.600 -0.025 0.000 1.280 1148 S CA -0.010 58.179 58.200 -0.019 0.000 1.052 1148 S CB 0.057 63.249 63.200 -0.015 0.000 0.799 1148 S HN 0.600 nan 8.310 nan 0.000 0.501 1149 Q N 0.959 120.742 119.800 -0.028 0.000 2.337 1149 Q HA 0.548 4.888 4.340 -0.000 0.000 0.270 1149 Q C -0.849 175.137 176.000 -0.024 0.000 1.043 1149 Q CA -0.419 55.363 55.803 -0.036 0.000 0.794 1149 Q CB 2.204 30.909 28.738 -0.055 0.000 1.281 1149 Q HN 0.587 nan 8.270 nan 0.000 0.446 1150 S N 2.299 117.986 115.700 -0.021 0.000 2.513 1150 S HA 0.675 5.145 4.470 -0.000 0.000 0.299 1150 S C -1.351 173.243 174.600 -0.009 0.000 1.087 1150 S CA -0.541 57.652 58.200 -0.013 0.000 1.012 1150 S CB 0.647 63.841 63.200 -0.010 0.000 1.044 1150 S HN 0.386 nan 8.310 nan 0.000 0.485 1151 L N 3.542 124.763 121.223 -0.003 0.000 2.317 1151 L HA 0.662 5.001 4.340 -0.000 0.000 0.281 1151 L C 0.899 177.771 176.870 0.004 0.000 1.024 1151 L CA -0.166 54.675 54.840 0.002 0.000 0.810 1151 L CB 1.300 43.364 42.059 0.009 0.000 1.240 1151 L HN 0.861 nan 8.230 nan 0.000 0.427 1152 A N 1.311 124.134 122.820 0.006 0.000 2.370 1152 A HA 0.444 4.764 4.320 -0.000 0.000 0.238 1152 A C 0.585 178.173 177.584 0.007 0.000 1.289 1152 A CA 0.457 52.498 52.037 0.005 0.000 0.885 1152 A CB -0.396 18.608 19.000 0.006 0.000 0.961 1152 A HN 0.653 nan 8.150 nan 0.000 0.499 1153 S N -0.059 115.647 115.700 0.010 0.000 2.595 1153 S HA 0.752 5.222 4.470 -0.000 0.000 0.281 1153 S C -3.208 171.402 174.600 0.016 0.000 1.117 1153 S CA -1.229 56.978 58.200 0.013 0.000 0.873 1153 S CB 1.588 64.797 63.200 0.015 0.000 1.108 1153 S HN 0.085 nan 8.310 nan 0.000 0.477 1154 P HA 0.344 nan 4.420 nan 0.000 0.274 1154 P C -1.099 176.223 177.300 0.037 0.000 1.237 1154 P CA -0.635 62.478 63.100 0.023 0.000 0.793 1154 P CB 0.562 32.274 31.700 0.019 0.000 0.977 1155 L N 1.839 123.096 121.223 0.057 0.000 2.346 1155 L HA 0.469 4.809 4.340 -0.000 0.000 0.274 1155 L C -0.447 176.497 176.870 0.123 0.000 1.007 1155 L CA -0.767 54.126 54.840 0.088 0.000 0.818 1155 L CB 1.942 44.075 42.059 0.125 0.000 1.284 1155 L HN 0.443 nan 8.230 nan 0.000 0.424 1156 N N 2.784 121.544 118.700 0.099 0.000 2.238 1156 N HA 0.648 5.388 4.740 -0.000 0.000 0.302 1156 N C -1.672 173.863 175.510 0.041 0.000 1.072 1156 N CA -0.342 52.765 53.050 0.094 0.000 0.792 1156 N CB 2.280 40.799 38.487 0.052 0.000 1.425 1156 N HN 0.301 nan 8.380 nan 0.000 0.478 1157 V N 0.879 120.794 119.914 0.001 0.000 3.102 1157 V HA 0.488 4.607 4.120 -0.000 0.000 0.312 1157 V C -0.149 175.872 176.094 -0.122 0.000 1.135 1157 V CA -0.789 61.409 62.300 -0.170 0.000 1.022 1157 V CB 2.180 33.637 31.823 -0.611 0.000 1.056 1157 V HN 0.721 nan 8.190 nan 0.000 0.436 1158 T N 2.308 116.782 114.554 -0.134 0.000 2.992 1158 T HA 0.241 4.591 4.350 -0.000 0.000 0.299 1158 T C 0.489 175.136 174.700 -0.088 0.000 1.027 1158 T CA 0.712 62.763 62.100 -0.081 0.000 1.001 1158 T CB -0.561 68.270 68.868 -0.062 0.000 1.005 1158 T HN 1.277 nan 8.240 nan 0.000 0.599 1159 T N 0.763 115.285 114.554 -0.053 0.000 3.473 1159 T HA -0.195 4.155 4.350 -0.000 0.000 0.403 1159 T C 0.005 174.686 174.700 -0.031 0.000 0.768 1159 T CA 0.580 62.667 62.100 -0.022 0.000 2.009 1159 T CB -2.013 66.852 68.868 -0.005 0.000 1.715 1159 T HN 0.951 nan 8.240 nan 0.000 0.666 1160 S N 0.427 116.085 115.700 -0.070 0.000 2.815 1160 S HA 0.386 4.855 4.470 -0.000 0.000 0.307 1160 S C -1.457 173.053 174.600 -0.150 0.000 0.710 1160 S CA -1.050 57.125 58.200 -0.042 0.000 0.706 1160 S CB -0.050 63.127 63.200 -0.038 0.000 0.933 1160 S HN 0.639 nan 8.310 nan 0.000 0.561 1161 Y N 2.469 122.763 120.300 -0.010 0.000 2.393 1161 Y HA 0.771 5.321 4.550 -0.000 0.000 0.341 1161 Y C 0.672 176.563 175.900 -0.014 0.000 0.988 1161 Y CA -0.307 57.786 58.100 -0.013 0.000 1.078 1161 Y CB 2.532 40.982 38.460 -0.018 0.000 1.203 1161 Y HN 0.696 nan 8.280 nan 0.000 0.453 1162 S N 1.278 117.055 115.700 0.128 0.000 2.661 1162 S HA 0.806 5.276 4.470 -0.000 0.000 0.285 1162 S C -1.289 173.346 174.600 0.059 0.000 1.138 1162 S CA -0.932 57.310 58.200 0.070 0.000 0.855 1162 S CB 2.097 65.317 63.200 0.033 0.000 1.136 1162 S HN 0.505 nan 8.310 nan 0.000 0.484 1163 V N -1.659 118.276 119.914 0.034 0.000 2.612 1163 V HA 0.868 4.988 4.120 -0.000 0.000 0.301 1163 V C 0.416 176.518 176.094 0.013 0.000 1.059 1163 V CA -0.143 62.170 62.300 0.022 0.000 0.886 1163 V CB 0.358 32.190 31.823 0.014 0.000 1.007 1163 V HN 1.610 nan 8.190 nan 0.000 0.426 1164 G N 2.433 111.239 108.800 0.009 0.000 2.221 1164 G HA2 0.146 4.106 3.960 -0.000 0.000 0.265 1164 G HA3 0.146 4.106 3.960 -0.000 0.000 0.265 1164 G C 1.437 176.341 174.900 0.006 0.000 1.041 1164 G CA 0.804 45.907 45.100 0.006 0.000 0.807 1164 G HN 2.858 nan 8.290 nan 0.000 0.502 1165 G N -1.413 107.391 108.800 0.007 0.000 2.168 1165 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.263 1165 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.263 1165 G C 0.326 175.230 174.900 0.008 0.000 0.977 1165 G CA 1.402 46.506 45.100 0.006 0.000 0.659 1165 G HN 1.315 nan 8.290 nan 0.000 0.533 1166 K N 0.780 121.187 120.400 0.011 0.000 2.240 1166 K HA 0.500 4.820 4.320 -0.000 0.000 0.271 1166 K C 0.585 177.196 176.600 0.019 0.000 1.018 1166 K CA -0.702 55.592 56.287 0.012 0.000 0.874 1166 K CB 0.747 33.253 32.500 0.010 0.000 1.098 1166 K HN 0.215 nan 8.250 nan 0.000 0.458 1167 K N 2.676 123.088 120.400 0.020 0.000 2.489 1167 K HA 0.029 4.348 4.320 -0.000 0.000 0.278 1167 K C -0.187 176.433 176.600 0.033 0.000 1.000 1167 K CA 0.199 56.504 56.287 0.031 0.000 1.012 1167 K CB 0.504 33.020 32.500 0.025 0.000 0.903 1167 K HN 0.418 nan 8.250 nan 0.000 0.485 1168 V N 3.572 123.516 119.914 0.050 0.000 3.359 1168 V HA 0.090 4.210 4.120 -0.000 0.000 0.270 1168 V C -0.782 175.330 176.094 0.031 0.000 1.583 1168 V CA -0.297 62.021 62.300 0.031 0.000 1.019 1168 V CB 1.514 33.347 31.823 0.017 0.000 0.831 1168 V HN 0.522 nan 8.190 nan 0.000 0.426 1169 V N -0.125 119.837 119.914 0.079 0.000 2.851 1169 V HA 0.875 4.995 4.120 -0.000 0.000 0.307 1169 V C 0.221 176.399 176.094 0.141 0.000 1.129 1169 V CA 0.227 62.576 62.300 0.080 0.000 0.932 1169 V CB 1.664 33.507 31.823 0.035 0.000 1.024 1169 V HN 0.288 nan 8.190 nan 0.000 0.426 1170 G N 1.750 110.607 108.800 0.096 0.000 3.247 1170 G HA2 0.802 4.762 3.960 -0.000 0.000 0.226 1170 G HA3 0.802 4.762 3.960 -0.000 0.000 0.226 1170 G C -0.250 174.700 174.900 0.084 0.000 1.220 1170 G CA -0.154 44.999 45.100 0.090 0.000 0.875 1170 G HN 1.110 nan 8.290 nan 0.000 0.606 1171 A N -0.207 122.650 122.820 0.062 0.000 2.445 1171 A HA 0.506 4.826 4.320 -0.000 0.000 0.242 1171 A C 0.939 178.555 177.584 0.053 0.000 1.075 1171 A CA -0.226 51.845 52.037 0.056 0.000 0.777 1171 A CB 0.044 19.072 19.000 0.046 0.000 1.013 1171 A HN 0.720 nan 8.150 nan 0.000 0.493 1172 R N 1.950 122.479 120.500 0.047 0.000 2.504 1172 R HA -0.025 4.315 4.340 -0.000 0.000 0.291 1172 R C -0.441 175.897 176.300 0.063 0.000 0.974 1172 R CA 0.135 56.257 56.100 0.038 0.000 1.077 1172 R CB 0.257 30.573 30.300 0.027 0.000 0.926 1172 R HN 0.718 nan 8.270 nan 0.000 0.407 1173 Q N 2.901 122.746 119.800 0.075 0.000 2.262 1173 Q HA -0.015 4.325 4.340 -0.000 0.000 0.272 1173 Q C 0.163 176.303 176.000 0.233 0.000 1.076 1173 Q CA 0.570 56.473 55.803 0.166 0.000 0.905 1173 Q CB 1.324 30.205 28.738 0.237 0.000 1.182 1173 Q HN 0.609 nan 8.270 nan 0.000 0.390 1174 T N -0.151 114.534 114.554 0.218 0.000 2.880 1174 T HA 0.545 4.895 4.350 -0.000 0.000 0.279 1174 T C 0.851 175.707 174.700 0.260 0.000 0.990 1174 T CA 0.652 62.889 62.100 0.228 0.000 0.938 1174 T CB 0.744 69.684 68.868 0.121 0.000 1.206 1174 T HN 0.823 nan 8.240 nan 0.000 0.573 1175 G N 0.143 109.054 108.800 0.185 0.000 2.141 1175 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.242 1175 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.242 1175 G C -0.194 174.725 174.900 0.032 0.000 0.982 1175 G CA 0.069 45.211 45.100 0.070 0.000 0.662 1175 G HN 0.566 nan 8.290 nan 0.000 0.527 1176 W N -0.568 120.734 121.300 0.004 0.000 2.359 1176 W HA 0.681 5.341 4.660 -0.000 0.000 0.344 1176 W C 1.349 177.870 176.519 0.003 0.000 1.170 1176 W CA 0.367 57.714 57.345 0.003 0.000 1.296 1176 W CB 1.140 30.602 29.460 0.004 0.000 1.197 1176 W HN -0.052 nan 8.180 nan 0.000 0.618 1177 T N 1.287 115.986 114.554 0.242 0.000 3.023 1177 T HA 0.399 4.748 4.350 -0.000 0.000 0.249 1177 T C 0.113 174.900 174.700 0.145 0.000 1.050 1177 T CA 0.815 63.000 62.100 0.141 0.000 1.088 1177 T CB -0.123 68.791 68.868 0.076 0.000 0.946 1177 T HN 0.781 nan 8.240 nan 0.000 0.480 1178 A N 1.111 124.054 122.820 0.205 0.000 2.430 1178 A HA 0.348 4.668 4.320 -0.000 0.000 0.684 1178 A C 0.318 177.962 177.584 0.101 0.000 0.145 1178 A CA -0.423 51.695 52.037 0.136 0.000 0.049 1178 A CB -1.580 17.465 19.000 0.075 0.000 3.963 1178 A HN 0.958 nan 8.150 nan 0.000 0.546 1179 A N 3.125 126.008 122.820 0.104 0.000 2.475 1179 A HA 0.681 5.001 4.320 -0.000 0.000 0.239 1179 A C 0.902 178.513 177.584 0.045 0.000 1.087 1179 A CA 1.227 53.309 52.037 0.074 0.000 0.779 1179 A CB 0.028 19.072 19.000 0.074 0.000 1.036 1179 A HN 2.013 nan 8.150 nan 0.000 0.506 1180 T N -0.644 113.931 114.554 0.036 0.000 2.907 1180 T HA 0.773 5.123 4.350 -0.000 0.000 0.290 1180 T C 0.101 174.813 174.700 0.021 0.000 1.066 1180 T CA 0.397 62.512 62.100 0.025 0.000 1.012 1180 T CB 1.715 70.597 68.868 0.023 0.000 1.184 1180 T HN 2.387 nan 8.240 nan 0.000 0.522 1181 G N 0.723 109.532 108.800 0.016 0.000 2.650 1181 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.686 1181 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.686 1181 G C -0.341 174.567 174.900 0.013 0.000 1.205 1181 G CA -0.970 44.139 45.100 0.015 0.000 0.781 1181 G HN 0.846 nan 8.290 nan 0.000 0.648 1182 T N 1.721 116.283 114.554 0.013 0.000 2.738 1182 T HA 0.450 4.800 4.350 -0.000 0.000 0.277 1182 T C 1.178 175.886 174.700 0.014 0.000 0.981 1182 T CA 1.125 63.232 62.100 0.012 0.000 1.211 1182 T CB 0.289 69.165 68.868 0.014 0.000 0.932 1182 T HN 1.776 nan 8.240 nan 0.000 0.522 1183 A N 4.194 127.018 122.820 0.008 0.000 2.351 1183 A HA 0.400 4.720 4.320 -0.000 0.000 0.257 1183 A C 0.656 178.247 177.584 0.011 0.000 1.087 1183 A CA -0.704 51.336 52.037 0.006 0.000 0.798 1183 A CB 0.292 19.288 19.000 -0.007 0.000 1.033 1183 A HN 0.832 nan 8.150 nan 0.000 0.488 1184 N N 1.227 119.937 118.700 0.017 0.000 2.524 1184 N HA 0.194 4.934 4.740 -0.000 0.000 0.261 1184 N C -0.769 174.752 175.510 0.019 0.000 0.998 1184 N CA -0.325 52.743 53.050 0.030 0.000 0.915 1184 N CB 0.831 39.355 38.487 0.062 0.000 1.187 1184 N HN 0.602 nan 8.380 nan 0.000 0.507 1185 K N 2.116 122.524 120.400 0.014 0.000 2.681 1185 K HA 0.226 4.546 4.320 -0.000 0.000 0.211 1185 K C 0.706 177.321 176.600 0.026 0.000 1.075 1185 K CA -0.506 55.784 56.287 0.005 0.000 1.141 1185 K CB 1.010 33.507 32.500 -0.006 0.000 0.896 1185 K HN 0.533 nan 8.250 nan 0.000 0.470 1186 G N 0.350 109.181 108.800 0.052 0.000 2.782 1186 G HA2 0.219 4.179 3.960 -0.000 0.000 0.201 1186 G HA3 0.219 4.179 3.960 -0.000 0.000 0.201 1186 G C -0.160 174.798 174.900 0.097 0.000 1.374 1186 G CA -0.587 44.551 45.100 0.063 0.000 1.039 1186 G HN 0.041 nan 8.290 nan 0.000 0.576 1187 V N 0.222 120.189 119.914 0.087 0.000 2.409 1187 V HA 0.262 4.382 4.120 -0.000 0.000 0.270 1187 V C -0.187 175.997 176.094 0.150 0.000 1.019 1187 V CA -0.439 61.917 62.300 0.094 0.000 1.066 1187 V CB -0.865 30.987 31.823 0.048 0.000 1.021 1187 V HN 0.353 nan 8.190 nan 0.000 0.476 1188 F N 5.127 125.082 119.950 0.007 0.000 2.378 1188 F HA 0.579 5.106 4.527 -0.000 0.000 0.325 1188 F C 0.793 176.597 175.800 0.006 0.000 1.097 1188 F CA -1.131 56.876 58.000 0.011 0.000 1.079 1188 F CB 1.707 40.715 39.000 0.013 0.000 1.240 1188 F HN 0.706 nan 8.300 nan 0.000 0.519 1189 D N 2.668 122.682 120.400 -0.643 0.000 2.819 1189 D HA 0.252 4.891 4.640 -0.000 0.000 0.326 1189 D C -0.008 176.019 176.300 -0.454 0.000 1.408 1189 D CA -0.325 53.436 54.000 -0.399 0.000 0.811 1189 D CB -0.484 40.138 40.800 -0.297 0.000 1.148 1189 D HN 0.610 nan 8.370 nan 0.000 0.457 1190 A N 0.989 123.540 122.820 -0.449 0.000 2.624 1190 A HA 0.090 4.410 4.320 -0.000 0.000 0.231 1190 A C 0.921 178.449 177.584 -0.092 0.000 1.034 1190 A CA 1.117 53.085 52.037 -0.115 0.000 0.754 1190 A CB -0.069 19.090 19.000 0.265 0.000 0.953 1190 A HN 0.448 nan 8.150 nan 0.000 0.509 1191 D N -0.813 119.546 120.400 -0.070 0.000 2.956 1191 D HA -0.135 4.505 4.640 -0.000 0.000 0.223 1191 D C -0.436 175.758 176.300 -0.177 0.000 1.102 1191 D CA 0.954 54.903 54.000 -0.085 0.000 0.797 1191 D CB -1.170 39.598 40.800 -0.053 0.000 1.094 1191 D HN 0.655 nan 8.370 nan 0.000 0.438 1192 L N 1.240 122.304 121.223 -0.264 0.000 2.349 1192 L HA 0.376 4.716 4.340 -0.000 0.000 0.275 1192 L C 0.804 177.231 176.870 -0.738 0.000 1.115 1192 L CA 0.083 54.656 54.840 -0.445 0.000 0.820 1192 L CB 1.003 42.794 42.059 -0.447 0.000 1.135 1192 L HN 0.072 nan 8.230 nan 0.000 0.445 1193 T N 0.995 115.139 114.554 -0.683 0.000 2.945 1193 T HA 0.572 4.922 4.350 -0.000 0.000 0.286 1193 T C -0.664 173.531 174.700 -0.842 0.000 1.025 1193 T CA -0.518 61.193 62.100 -0.648 0.000 1.039 1193 T CB 1.250 69.955 68.868 -0.271 0.000 1.068 1193 T HN 0.271 nan 8.240 nan 0.000 0.497 1194 F N 0.453 120.394 119.950 -0.016 0.000 2.493 1194 F HA 0.661 5.188 4.527 -0.000 0.000 0.329 1194 F C 0.719 176.513 175.800 -0.010 0.000 1.126 1194 F CA -1.248 56.744 58.000 -0.014 0.000 0.937 1194 F CB 1.413 40.406 39.000 -0.011 0.000 1.146 1194 F HN 0.881 nan 8.300 nan 0.000 0.442 1208 I N -2.018 118.545 120.570 -0.012 0.000 3.369 1208 I HA 0.243 4.413 4.170 -0.000 0.000 0.288 1208 I C 1.760 177.837 176.117 -0.066 0.000 1.321 1208 I CA 1.162 62.460 61.300 -0.003 0.000 1.358 1208 I CB -1.188 36.809 38.000 -0.006 0.000 1.038 1208 I HN 0.286 nan 8.210 nan 0.000 0.516 1209 A N 1.157 123.939 122.820 -0.063 0.000 2.131 1209 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 1209 A C 1.974 179.546 177.584 -0.020 0.000 1.158 1209 A CA 1.718 53.720 52.037 -0.058 0.000 0.665 1209 A CB -1.038 17.938 19.000 -0.040 0.000 0.795 1209 A HN 0.550 nan 8.150 nan 0.000 0.460 1210 N N 0.753 119.454 118.700 0.002 0.000 2.104 1210 N HA -0.102 4.637 4.740 -0.000 0.000 0.190 1210 N C 1.802 177.337 175.510 0.041 0.000 1.024 1210 N CA 1.674 54.739 53.050 0.024 0.000 0.853 1210 N CB -0.441 38.066 38.487 0.033 0.000 1.008 1210 N HN 0.475 nan 8.380 nan 0.000 0.424 1211 A N 0.378 123.231 122.820 0.054 0.000 1.933 1211 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 1211 A C 2.098 179.726 177.584 0.073 0.000 1.175 1211 A CA 0.928 53.019 52.037 0.091 0.000 0.628 1211 A CB -0.649 18.473 19.000 0.202 0.000 0.814 1211 A HN 0.274 nan 8.150 nan 0.000 0.444 1212 L N 0.033 121.265 121.223 0.016 0.000 2.027 1212 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 1212 L C 2.185 179.082 176.870 0.045 0.000 1.074 1212 L CA 1.702 56.552 54.840 0.017 0.000 0.745 1212 L CB -0.504 41.540 42.059 -0.025 0.000 0.898 1212 L HN 0.417 nan 8.230 nan 0.000 0.433 1213 I N -0.223 120.369 120.570 0.036 0.000 2.163 1213 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 1213 I C 2.448 178.606 176.117 0.070 0.000 1.085 1213 I CA 1.968 63.294 61.300 0.043 0.000 1.347 1213 I CB -0.815 37.204 38.000 0.033 0.000 1.044 1213 I HN 0.533 nan 8.210 nan 0.000 0.408 1214 T N -1.715 112.894 114.554 0.091 0.000 2.821 1214 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 1214 T C 1.669 176.493 174.700 0.206 0.000 1.046 1214 T CA 1.410 63.594 62.100 0.140 0.000 1.139 1214 T CB -0.315 68.637 68.868 0.140 0.000 0.871 1214 T HN 0.277 nan 8.240 nan 0.000 0.454 1215 E N 1.501 121.821 120.200 0.200 0.000 2.268 1215 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 1215 E C 2.286 178.957 176.600 0.119 0.000 0.995 1215 E CA 0.961 57.492 56.400 0.218 0.000 0.836 1215 E CB -0.256 29.556 29.700 0.186 0.000 0.763 1215 E HN 0.617 nan 8.360 nan 0.000 0.491 1216 R N -0.288 120.267 120.500 0.090 0.000 2.100 1216 R HA 0.140 4.480 4.340 -0.000 0.000 0.220 1216 R C 2.451 178.782 176.300 0.051 0.000 1.091 1216 R CA 1.189 57.325 56.100 0.061 0.000 0.986 1216 R CB -0.092 30.237 30.300 0.049 0.000 0.888 1216 R HN 0.149 nan 8.270 nan 0.000 0.444 1217 R N 0.272 120.807 120.500 0.059 0.000 2.073 1217 R HA 0.001 4.341 4.340 -0.000 0.000 0.229 1217 R C 2.172 178.488 176.300 0.026 0.000 1.120 1217 R CA 0.800 56.926 56.100 0.044 0.000 0.967 1217 R CB -0.318 30.014 30.300 0.053 0.000 0.862 1217 R HN -0.017 nan 8.270 nan 0.000 0.436 1218 R N 1.195 121.712 120.500 0.029 0.000 2.096 1218 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 1218 R C 2.009 178.265 176.300 -0.073 0.000 1.127 1218 R CA 1.945 58.014 56.100 -0.052 0.000 0.968 1218 R CB -0.740 29.463 30.300 -0.161 0.000 0.861 1218 R HN 0.114 nan 8.270 nan 0.000 0.440 1219 T N 0.363 114.897 114.554 -0.033 0.000 2.777 1219 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 1219 T C 1.470 176.167 174.700 -0.005 0.000 1.040 1219 T CA 1.722 63.811 62.100 -0.018 0.000 1.141 1219 T CB -0.212 68.669 68.868 0.022 0.000 0.868 1219 T HN 0.300 nan 8.240 nan 0.000 0.444 1220 K N 2.079 122.484 120.400 0.008 0.000 2.209 1220 K HA 0.110 4.430 4.320 -0.000 0.000 0.204 1220 K C 2.077 178.667 176.600 -0.016 0.000 1.048 1220 K CA 1.528 57.820 56.287 0.008 0.000 0.940 1220 K CB -0.554 31.957 32.500 0.018 0.000 0.729 1220 K HN 0.225 nan 8.250 nan 0.000 0.451 1221 A N 0.894 123.699 122.820 -0.025 0.000 1.873 1221 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 1221 A C 2.279 179.833 177.584 -0.051 0.000 1.186 1221 A CA 1.671 53.686 52.037 -0.037 0.000 0.616 1221 A CB -0.481 18.495 19.000 -0.039 0.000 0.823 1221 A HN 0.407 nan 8.150 nan 0.000 0.442 1222 M N -1.129 118.436 119.600 -0.059 0.000 2.099 1222 M HA -0.157 4.323 4.480 -0.000 0.000 0.262 1222 M C 2.255 178.508 176.300 -0.077 0.000 1.067 1222 M CA 1.927 57.189 55.300 -0.063 0.000 1.124 1222 M CB -0.423 32.137 32.600 -0.067 0.000 1.353 1222 M HN 0.665 nan 8.290 nan 0.000 0.410 1223 E N 0.688 120.838 120.200 -0.083 0.000 2.097 1223 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 1223 E C 1.267 177.781 176.600 -0.143 0.000 1.000 1223 E CA 1.755 58.068 56.400 -0.146 0.000 0.804 1223 E CB 0.071 29.712 29.700 -0.098 0.000 0.740 1223 E HN 0.396 nan 8.360 nan 0.000 0.454 1224 D N 0.034 120.380 120.400 -0.091 0.000 2.144 1224 D HA -0.132 4.507 4.640 -0.000 0.000 0.199 1224 D C 1.776 178.018 176.300 -0.097 0.000 0.984 1224 D CA 1.398 55.347 54.000 -0.085 0.000 0.834 1224 D CB -0.335 40.428 40.800 -0.061 0.000 0.955 1224 D HN 0.328 nan 8.370 nan 0.000 0.465 1225 A N 0.379 123.150 122.820 -0.081 0.000 1.930 1225 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 1225 A C 2.292 179.873 177.584 -0.005 0.000 1.175 1225 A CA 0.802 52.800 52.037 -0.064 0.000 0.627 1225 A CB -0.640 18.351 19.000 -0.015 0.000 0.815 1225 A HN 0.216 nan 8.150 nan 0.000 0.443 1226 L N -1.429 119.772 121.223 -0.038 0.000 2.217 1226 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 1226 L C 2.685 179.495 176.870 -0.101 0.000 1.107 1226 L CA 1.457 56.266 54.840 -0.051 0.000 0.783 1226 L CB -0.354 41.608 42.059 -0.162 0.000 0.919 1226 L HN 0.447 nan 8.230 nan 0.000 0.442 1227 R N 0.367 120.776 120.500 -0.151 0.000 2.173 1227 R HA 0.023 4.363 4.340 -0.000 0.000 0.208 1227 R C 2.309 178.548 176.300 -0.101 0.000 1.035 1227 R CA 0.924 56.934 56.100 -0.150 0.000 1.004 1227 R CB -0.017 30.184 30.300 -0.166 0.000 0.917 1227 R HN 0.238 nan 8.270 nan 0.000 0.462 1228 A N 0.336 123.084 122.820 -0.119 0.000 1.898 1228 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 1228 A C 1.679 179.162 177.584 -0.168 0.000 1.181 1228 A CA 1.242 53.184 52.037 -0.158 0.000 0.620 1228 A CB -0.673 18.194 19.000 -0.222 0.000 0.819 1228 A HN 0.386 nan 8.150 nan 0.000 0.442 1229 H N -1.475 117.544 119.070 -0.085 0.000 2.363 1229 H HA 0.063 4.619 4.556 -0.000 0.000 0.301 1229 H C 1.909 177.190 175.328 -0.078 0.000 1.074 1229 H CA 1.598 57.597 56.048 -0.082 0.000 1.354 1229 H CB 0.040 29.748 29.762 -0.091 0.000 1.397 1229 H HN 0.634 nan 8.280 nan 0.000 0.516 1230 G N -0.481 108.339 108.800 0.034 0.000 2.229 1230 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.189 1230 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.189 1230 G C 1.353 176.236 174.900 -0.028 0.000 1.000 1230 G CA 0.329 45.424 45.100 -0.009 0.000 0.663 1230 G HN 0.322 nan 8.290 nan 0.000 0.493 1231 L N 0.736 121.939 121.223 -0.033 0.000 2.129 1231 L HA 0.117 4.457 4.340 -0.000 0.000 0.212 1231 L C 1.739 178.547 176.870 -0.102 0.000 1.087 1231 L CA 1.960 56.763 54.840 -0.062 0.000 0.757 1231 L CB -0.345 41.666 42.059 -0.080 0.000 0.896 1231 L HN 0.667 nan 8.230 nan 0.000 0.434 1232 I N -5.545 114.908 120.570 -0.195 0.000 3.002 1232 I HA 0.460 4.630 4.170 -0.000 0.000 0.310 1232 I C -0.312 175.647 176.117 -0.263 0.000 1.087 1232 I CA -1.178 59.920 61.300 -0.336 0.000 1.017 1232 I CB 1.643 39.126 38.000 -0.862 0.000 1.226 1232 I HN -0.269 nan 8.210 nan 0.000 0.443 1233 D N 0.000 120.294 120.400 -0.177 0.000 6.856 1233 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1233 D CA 0.000 54.009 54.000 0.014 0.000 0.868 1233 D CB 0.000 40.946 40.800 0.243 0.000 0.688 1233 D HN 0.000 nan 8.370 nan 0.000 0.683