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 2ama_1_A DATA FIRST_RESID 671 DATA SEQUENCE PIFLNVLEAI EPGVVCAGHD NNQPDSFAAL LSSLNELGER QLVHVVKWAK DATA SEQUENCE ALPGFRNLHV DDQMAVIQYS WMGLMVFAMG WRSFTNVNSR MLYFAPDLVF DATA SEQUENCE NEYRMHKSRM YSQCVRMRHL SQEFGWLQIT PQEFLCMKAL LLFSIIPVDG DATA SEQUENCE LKNQKFFDEL RMNYIKELDR IIAXXXXXXT SCSRRFYQLT KLLDSVQPIA DATA SEQUENCE RELHQFTFDL LIKSHMVSVD FPEMMAEIIS VQVPKILSGK VKPIYFHTQ 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 671 P HA 0.000 nan 4.420 nan 0.000 0.216 671 P C 0.000 177.340 177.300 0.067 0.000 1.155 671 P CA 0.000 63.136 63.100 0.061 0.000 0.800 671 P CB 0.000 31.733 31.700 0.055 0.000 0.726 672 I N -0.351 120.261 120.570 0.070 0.000 2.163 672 I HA -0.253 3.686 4.170 -0.384 0.000 0.243 672 I C 2.114 178.288 176.117 0.095 0.000 1.085 672 I CA 1.468 62.809 61.300 0.067 0.000 1.347 672 I CB -0.215 37.822 38.000 0.061 0.000 1.044 672 I HN 0.132 nan 8.210 nan 0.000 0.408 673 F N 1.563 121.499 119.950 -0.025 0.000 2.102 673 F HA -0.192 4.104 4.527 -0.385 0.000 0.298 673 F C 2.236 178.036 175.800 0.001 0.000 1.105 673 F CA 1.639 59.619 58.000 -0.032 0.000 1.239 673 F CB -0.333 38.626 39.000 -0.068 0.000 0.991 673 F HN -0.119 nan 8.300 nan 0.000 0.474 674 L N -0.095 121.141 121.223 0.021 0.000 2.141 674 L HA -0.239 3.871 4.340 -0.384 0.000 0.209 674 L C 2.103 178.929 176.870 -0.074 0.000 1.094 674 L CA 1.629 56.436 54.840 -0.054 0.000 0.763 674 L CB -0.909 41.180 42.059 0.051 0.000 0.908 674 L HN 0.230 nan 8.230 nan 0.000 0.437 675 N N -0.568 118.112 118.700 -0.034 0.000 2.084 675 N HA -0.175 4.334 4.740 -0.384 0.000 0.190 675 N C 1.843 177.324 175.510 -0.049 0.000 1.030 675 N CA 1.216 54.252 53.050 -0.023 0.000 0.849 675 N CB -0.037 38.450 38.487 -0.000 0.000 1.012 675 N HN 0.049 nan 8.380 nan 0.000 0.423 676 V N 1.932 121.793 119.914 -0.089 0.000 2.261 676 V HA -0.217 3.673 4.120 -0.384 0.000 0.246 676 V C 2.277 178.299 176.094 -0.120 0.000 1.047 676 V CA 1.459 63.699 62.300 -0.101 0.000 1.015 676 V CB -0.680 31.071 31.823 -0.121 0.000 0.642 676 V HN 0.312 nan 8.190 nan 0.000 0.446 677 L N -0.122 120.960 121.223 -0.234 0.000 2.043 677 L HA -0.253 3.856 4.340 -0.384 0.000 0.212 677 L C 2.640 179.500 176.870 -0.016 0.000 1.075 677 L CA 2.222 56.975 54.840 -0.144 0.000 0.752 677 L CB -0.645 41.256 42.059 -0.264 0.000 0.891 677 L HN 0.484 nan 8.230 nan 0.000 0.432 678 E N 0.331 120.513 120.200 -0.030 0.000 2.072 678 E HA -0.221 3.899 4.350 -0.384 0.000 0.191 678 E C 2.247 178.867 176.600 0.033 0.000 0.985 678 E CA 1.114 57.523 56.400 0.015 0.000 0.801 678 E CB 0.029 29.736 29.700 0.012 0.000 0.750 678 E HN 0.442 nan 8.360 nan 0.000 0.452 679 A N 1.682 124.514 122.820 0.019 0.000 1.908 679 A HA -0.174 3.916 4.320 -0.384 0.000 0.218 679 A C 2.212 179.831 177.584 0.058 0.000 1.181 679 A CA 1.703 53.758 52.037 0.030 0.000 0.627 679 A CB -0.838 18.171 19.000 0.014 0.000 0.818 679 A HN 0.543 nan 8.150 nan 0.000 0.445 680 I N -2.608 118.009 120.570 0.078 0.000 3.578 680 I HA 0.154 4.094 4.170 -0.384 0.000 0.295 680 I C 0.631 176.906 176.117 0.263 0.000 1.280 680 I CA 0.182 61.570 61.300 0.147 0.000 1.347 680 I CB -0.352 37.713 38.000 0.108 0.000 1.051 680 I HN 0.135 nan 8.210 nan 0.000 0.460 681 E N 3.968 124.286 120.200 0.195 0.000 2.498 681 E HA 0.136 4.256 4.350 -0.384 0.000 0.252 681 E C -2.059 174.586 176.600 0.075 0.000 1.025 681 E CA -1.434 55.040 56.400 0.123 0.000 0.938 681 E CB 0.079 29.821 29.700 0.070 0.000 0.947 681 E HN 0.265 nan 8.360 nan 0.000 0.478 682 P HA 0.097 nan 4.420 nan 0.000 0.266 682 P C -0.009 177.270 177.300 -0.036 0.000 1.193 682 P CA 0.114 63.224 63.100 0.016 0.000 0.770 682 P CB 0.897 32.573 31.700 -0.040 0.000 0.836 683 G N 0.682 109.448 108.800 -0.057 0.000 2.509 683 G HA2 0.355 4.085 3.960 -0.384 0.000 0.269 683 G HA3 0.355 4.085 3.960 -0.384 0.000 0.269 683 G C -0.527 174.304 174.900 -0.116 0.000 1.416 683 G CA -0.626 44.439 45.100 -0.058 0.000 1.052 683 G HN 0.398 nan 8.290 nan 0.000 0.542 684 V N -0.488 119.385 119.914 -0.070 0.000 2.740 684 V HA 0.293 4.182 4.120 -0.384 0.000 0.303 684 V C 0.080 176.111 176.094 -0.105 0.000 1.054 684 V CA -0.057 62.212 62.300 -0.053 0.000 1.106 684 V CB 1.079 32.901 31.823 -0.003 0.000 0.957 684 V HN 0.343 nan 8.190 nan 0.000 0.486 685 V N 4.042 123.905 119.914 -0.086 0.000 2.525 685 V HA 0.320 4.210 4.120 -0.384 0.000 0.299 685 V C -0.095 175.989 176.094 -0.017 0.000 1.034 685 V CA -0.545 61.705 62.300 -0.083 0.000 0.863 685 V CB 1.673 33.416 31.823 -0.132 0.000 0.999 685 V HN 1.030 nan 8.190 nan 0.000 0.423 686 C N 3.007 122.307 119.300 0.000 0.000 2.398 686 C HA 0.621 4.851 4.460 -0.384 0.000 0.364 686 C C 1.760 176.758 174.990 0.013 0.000 1.219 686 C CA 0.238 59.259 59.018 0.005 0.000 2.312 686 C CB 1.289 29.035 27.740 0.010 0.000 2.428 686 C HN 1.021 nan 8.230 nan 0.000 0.564 687 A N 0.952 123.781 122.820 0.015 0.000 2.081 687 A HA 0.436 4.526 4.320 -0.384 0.000 0.214 687 A C 1.664 179.268 177.584 0.034 0.000 1.158 687 A CA 1.033 53.081 52.037 0.018 0.000 0.724 687 A CB -0.753 18.252 19.000 0.008 0.000 0.826 687 A HN 2.118 nan 8.150 nan 0.000 0.463 688 G N -0.835 107.990 108.800 0.042 0.000 2.160 688 G HA2 -0.269 3.461 3.960 -0.384 0.000 0.244 688 G HA3 -0.269 3.461 3.960 -0.384 0.000 0.244 688 G C 0.036 174.966 174.900 0.049 0.000 1.022 688 G CA 0.346 45.465 45.100 0.032 0.000 0.741 688 G HN 0.917 nan 8.290 nan 0.000 0.508 689 H N 0.596 119.654 119.070 -0.021 0.000 2.683 689 H HA 0.367 4.693 4.556 -0.383 0.000 0.339 689 H C -0.673 174.647 175.328 -0.014 0.000 1.081 689 H CA 0.070 56.107 56.048 -0.019 0.000 1.432 689 H CB 1.153 30.908 29.762 -0.010 0.000 1.462 689 H HN 0.136 nan 8.280 nan 0.000 0.557 690 D N 4.055 124.084 120.400 -0.619 0.000 2.422 690 D HA -0.013 4.396 4.640 -0.384 0.000 0.227 690 D C 0.423 176.413 176.300 -0.517 0.000 1.190 690 D CA -0.202 53.549 54.000 -0.415 0.000 0.905 690 D CB -0.045 40.587 40.800 -0.280 0.000 1.034 690 D HN 0.529 nan 8.370 nan 0.000 0.507 691 N N 2.952 121.523 118.700 -0.215 0.000 2.571 691 N HA -0.072 4.438 4.740 -0.384 0.000 0.189 691 N C 0.349 175.841 175.510 -0.031 0.000 1.154 691 N CA 0.243 53.275 53.050 -0.029 0.000 0.907 691 N CB 0.210 38.739 38.487 0.071 0.000 0.977 691 N HN 0.442 nan 8.380 nan 0.000 0.449 692 N N -0.087 118.569 118.700 -0.073 0.000 2.405 692 N HA 0.015 4.525 4.740 -0.384 0.000 0.175 692 N C 0.101 175.588 175.510 -0.038 0.000 1.051 692 N CA 0.389 53.413 53.050 -0.042 0.000 0.899 692 N CB 0.314 38.775 38.487 -0.043 0.000 1.000 692 N HN 0.119 nan 8.380 nan 0.000 0.451 693 Q N 0.924 120.684 119.800 -0.067 0.000 2.259 693 Q HA 0.327 4.437 4.340 -0.384 0.000 0.246 693 Q C -2.246 173.760 176.000 0.009 0.000 0.920 693 Q CA -1.691 54.089 55.803 -0.039 0.000 0.895 693 Q CB 0.257 28.955 28.738 -0.067 0.000 1.220 693 Q HN 0.084 nan 8.270 nan 0.000 0.439 694 P HA -0.047 nan 4.420 nan 0.000 0.265 694 P C -0.801 176.563 177.300 0.108 0.000 1.187 694 P CA 0.109 63.252 63.100 0.070 0.000 0.766 694 P CB 0.444 32.181 31.700 0.063 0.000 0.820 695 D N 1.217 121.710 120.400 0.155 0.000 2.412 695 D HA 0.171 4.580 4.640 -0.384 0.000 0.257 695 D C 0.222 176.588 176.300 0.110 0.000 1.217 695 D CA 0.748 54.835 54.000 0.146 0.000 0.897 695 D CB 0.019 40.950 40.800 0.219 0.000 1.132 695 D HN 0.305 nan 8.370 nan 0.000 0.493 696 S N 1.537 117.287 115.700 0.083 0.000 2.546 696 S HA 0.284 4.524 4.470 -0.384 0.000 0.274 696 S C 0.639 175.306 174.600 0.111 0.000 1.121 696 S CA -0.900 57.358 58.200 0.097 0.000 0.887 696 S CB 1.144 64.402 63.200 0.097 0.000 1.094 696 S HN 0.234 nan 8.310 nan 0.000 0.474 697 F N 2.692 122.636 119.950 -0.009 0.000 2.063 697 F HA -0.100 4.197 4.527 -0.385 0.000 0.298 697 F C 2.445 178.256 175.800 0.017 0.000 1.109 697 F CA 2.483 60.484 58.000 0.003 0.000 1.212 697 F CB -1.011 37.998 39.000 0.014 0.000 0.973 697 F HN 0.863 nan 8.300 nan 0.000 0.480 698 A N 0.376 123.193 122.820 -0.006 0.000 1.865 698 A HA -0.128 3.962 4.320 -0.384 0.000 0.217 698 A C 2.466 179.975 177.584 -0.125 0.000 1.191 698 A CA 2.521 54.488 52.037 -0.117 0.000 0.623 698 A CB -1.699 17.310 19.000 0.014 0.000 0.826 698 A HN 0.580 nan 8.150 nan 0.000 0.444 699 A N -0.541 122.262 122.820 -0.028 0.000 1.898 699 A HA 0.014 4.104 4.320 -0.384 0.000 0.216 699 A C 2.211 179.813 177.584 0.031 0.000 1.181 699 A CA 1.464 53.519 52.037 0.029 0.000 0.620 699 A CB -0.615 18.447 19.000 0.103 0.000 0.819 699 A HN 0.476 nan 8.150 nan 0.000 0.442 700 L N -0.648 120.554 121.223 -0.034 0.000 1.994 700 L HA -0.162 3.948 4.340 -0.384 0.000 0.208 700 L C 2.499 179.277 176.870 -0.154 0.000 1.071 700 L CA 0.796 55.570 54.840 -0.111 0.000 0.745 700 L CB -0.524 41.470 42.059 -0.108 0.000 0.892 700 L HN 0.290 nan 8.230 nan 0.000 0.431 701 L N -0.696 120.368 121.223 -0.265 0.000 2.093 701 L HA -0.140 3.970 4.340 -0.384 0.000 0.208 701 L C 2.701 179.377 176.870 -0.323 0.000 1.085 701 L CA 1.488 56.125 54.840 -0.339 0.000 0.755 701 L CB -1.107 40.610 42.059 -0.570 0.000 0.904 701 L HN 0.237 nan 8.230 nan 0.000 0.435 702 S N -0.395 115.142 115.700 -0.272 0.000 2.368 702 S HA -0.153 4.087 4.470 -0.384 0.000 0.225 702 S C 2.187 176.690 174.600 -0.160 0.000 1.030 702 S CA 1.514 59.579 58.200 -0.225 0.000 0.999 702 S CB -0.016 63.102 63.200 -0.138 0.000 0.844 702 S HN 0.395 nan 8.310 nan 0.000 0.459 703 S N 1.450 117.096 115.700 -0.091 0.000 2.382 703 S HA 0.069 4.308 4.470 -0.384 0.000 0.228 703 S C 1.776 176.301 174.600 -0.126 0.000 1.027 703 S CA 0.767 58.941 58.200 -0.044 0.000 0.991 703 S CB -0.353 62.889 63.200 0.070 0.000 0.823 703 S HN 0.354 nan 8.310 nan 0.000 0.469 704 L N 1.552 122.650 121.223 -0.208 0.000 2.083 704 L HA -0.129 3.980 4.340 -0.384 0.000 0.209 704 L C 2.173 178.929 176.870 -0.191 0.000 1.083 704 L CA 0.876 55.551 54.840 -0.274 0.000 0.752 704 L CB -0.573 41.257 42.059 -0.382 0.000 0.899 704 L HN 0.266 nan 8.230 nan 0.000 0.433 705 N N -0.143 118.425 118.700 -0.221 0.000 2.142 705 N HA -0.209 4.301 4.740 -0.384 0.000 0.186 705 N C 1.803 177.237 175.510 -0.128 0.000 1.023 705 N CA 1.154 54.075 53.050 -0.215 0.000 0.852 705 N CB -0.118 38.107 38.487 -0.436 0.000 0.998 705 N HN 0.282 nan 8.380 nan 0.000 0.424 706 E N 0.959 121.092 120.200 -0.113 0.000 2.072 706 E HA -0.089 4.031 4.350 -0.384 0.000 0.191 706 E C 1.859 178.435 176.600 -0.040 0.000 0.985 706 E CA 0.494 56.856 56.400 -0.063 0.000 0.801 706 E CB -0.416 29.256 29.700 -0.045 0.000 0.750 706 E HN 0.197 nan 8.360 nan 0.000 0.452 707 L N 0.090 121.284 121.223 -0.047 0.000 2.046 707 L HA 0.026 4.135 4.340 -0.384 0.000 0.208 707 L C 2.178 179.049 176.870 0.000 0.000 1.077 707 L CA 2.464 57.293 54.840 -0.019 0.000 0.747 707 L CB -1.093 40.943 42.059 -0.038 0.000 0.896 707 L HN 0.244 nan 8.230 nan 0.000 0.432 708 G N -1.256 107.535 108.800 -0.015 0.000 2.418 708 G HA2 -0.331 3.399 3.960 -0.384 0.000 0.217 708 G HA3 -0.331 3.399 3.960 -0.384 0.000 0.217 708 G C 1.484 176.348 174.900 -0.060 0.000 1.158 708 G CA 0.858 45.957 45.100 -0.001 0.000 0.771 708 G HN 0.484 nan 8.290 nan 0.000 0.545 709 E N 0.561 120.722 120.200 -0.064 0.000 2.051 709 E HA -0.079 4.041 4.350 -0.384 0.000 0.192 709 E C 2.660 179.243 176.600 -0.030 0.000 0.991 709 E CA 1.016 57.374 56.400 -0.070 0.000 0.799 709 E CB -0.135 29.536 29.700 -0.048 0.000 0.748 709 E HN 0.431 nan 8.360 nan 0.000 0.449 710 R N -0.197 120.309 120.500 0.011 0.000 2.073 710 R HA -0.092 4.018 4.340 -0.384 0.000 0.234 710 R C 2.518 178.907 176.300 0.149 0.000 1.134 710 R CA 1.406 57.548 56.100 0.070 0.000 0.952 710 R CB -0.295 30.055 30.300 0.082 0.000 0.850 710 R HN 0.251 nan 8.270 nan 0.000 0.433 711 Q N 0.665 120.533 119.800 0.113 0.000 2.124 711 Q HA -0.145 3.965 4.340 -0.384 0.000 0.202 711 Q C 2.204 178.272 176.000 0.114 0.000 0.977 711 Q CA 0.983 56.868 55.803 0.136 0.000 0.850 711 Q CB -0.236 28.560 28.738 0.097 0.000 0.901 711 Q HN 0.204 nan 8.270 nan 0.000 0.429 712 L N 0.248 121.487 121.223 0.026 0.000 2.042 712 L HA -0.152 3.958 4.340 -0.384 0.000 0.210 712 L C 2.216 179.085 176.870 -0.002 0.000 1.076 712 L CA 1.327 56.150 54.840 -0.028 0.000 0.749 712 L CB -0.613 41.349 42.059 -0.163 0.000 0.893 712 L HN -0.059 nan 8.230 nan 0.000 0.432 713 V N -0.584 119.320 119.914 -0.017 0.000 2.343 713 V HA -0.323 3.567 4.120 -0.384 0.000 0.247 713 V C 2.546 178.584 176.094 -0.093 0.000 1.051 713 V CA 1.968 64.222 62.300 -0.076 0.000 1.036 713 V CB -0.952 30.787 31.823 -0.140 0.000 0.654 713 V HN 0.563 nan 8.190 nan 0.000 0.451 714 H N -0.796 118.291 119.070 0.028 0.000 2.395 714 H HA -0.029 4.297 4.556 -0.383 0.000 0.299 714 H C 2.384 177.768 175.328 0.092 0.000 1.070 714 H CA 1.679 57.757 56.048 0.049 0.000 1.356 714 H CB -0.001 29.777 29.762 0.028 0.000 1.401 714 H HN 0.315 nan 8.280 nan 0.000 0.524 715 V N 0.607 120.634 119.914 0.189 0.000 2.427 715 V HA -0.179 3.711 4.120 -0.384 0.000 0.248 715 V C 2.714 178.944 176.094 0.228 0.000 1.051 715 V CA 0.962 63.392 62.300 0.218 0.000 1.048 715 V CB -0.459 31.463 31.823 0.164 0.000 0.666 715 V HN 0.159 nan 8.190 nan 0.000 0.456 716 V N 0.384 120.363 119.914 0.109 0.000 2.295 716 V HA -0.265 3.624 4.120 -0.384 0.000 0.246 716 V C 2.944 179.052 176.094 0.024 0.000 1.049 716 V CA 2.627 64.955 62.300 0.047 0.000 1.024 716 V CB -1.076 30.760 31.823 0.022 0.000 0.648 716 V HN 0.665 nan 8.190 nan 0.000 0.447 717 K N -0.773 119.657 120.400 0.050 0.000 2.057 717 K HA -0.288 3.802 4.320 -0.384 0.000 0.207 717 K C 1.787 178.425 176.600 0.063 0.000 1.049 717 K CA 1.858 58.170 56.287 0.042 0.000 0.931 717 K CB -1.404 31.119 32.500 0.038 0.000 0.714 717 K HN 0.734 nan 8.250 nan 0.000 0.440 718 W N 0.998 122.261 121.300 -0.063 0.000 2.353 718 W HA -0.100 4.330 4.660 -0.383 0.000 0.319 718 W C 2.404 178.814 176.519 -0.181 0.000 1.207 718 W CA 2.358 59.654 57.345 -0.082 0.000 1.291 718 W CB -0.379 29.048 29.460 -0.055 0.000 1.159 718 W HN 0.368 nan 8.180 nan 0.000 0.478 719 A N 0.823 123.383 122.820 -0.433 0.000 1.892 719 A HA -0.282 3.808 4.320 -0.384 0.000 0.218 719 A C 1.968 178.883 177.584 -1.115 0.000 1.188 719 A CA 2.368 53.745 52.037 -1.100 0.000 0.631 719 A CB -0.959 17.501 19.000 -0.900 0.000 0.822 719 A HN 0.431 nan 8.150 nan 0.000 0.447 720 K N -0.659 119.407 120.400 -0.556 0.000 2.360 720 K HA 0.035 4.125 4.320 -0.384 0.000 0.201 720 K C 1.660 178.218 176.600 -0.070 0.000 1.046 720 K CA 0.797 57.004 56.287 -0.134 0.000 0.945 720 K CB -0.180 32.337 32.500 0.029 0.000 0.750 720 K HN 0.472 nan 8.250 nan 0.000 0.464 721 A N 0.580 123.285 122.820 -0.192 0.000 2.308 721 A HA 0.162 4.252 4.320 -0.384 0.000 0.217 721 A C 0.535 178.022 177.584 -0.161 0.000 1.216 721 A CA -0.189 51.775 52.037 -0.123 0.000 0.864 721 A CB 0.055 18.999 19.000 -0.093 0.000 0.902 721 A HN 0.088 nan 8.150 nan 0.000 0.499 722 L N 1.106 122.165 121.223 -0.274 0.000 2.426 722 L HA 0.213 4.323 4.340 -0.384 0.000 0.271 722 L C -2.254 174.684 176.870 0.114 0.000 1.169 722 L CA -1.881 52.857 54.840 -0.169 0.000 0.836 722 L CB 0.641 42.501 42.059 -0.331 0.000 1.112 722 L HN 0.037 nan 8.230 nan 0.000 0.465 723 P HA 0.012 nan 4.420 nan 0.000 0.260 723 P C 0.706 178.172 177.300 0.276 0.000 1.185 723 P CA 0.864 64.094 63.100 0.215 0.000 0.763 723 P CB 0.664 32.508 31.700 0.241 0.000 0.776 724 G N 3.054 111.951 108.800 0.160 0.000 2.234 724 G HA2 -0.396 3.334 3.960 -0.384 0.000 0.260 724 G HA3 -0.396 3.334 3.960 -0.384 0.000 0.260 724 G C 0.923 175.901 174.900 0.130 0.000 0.987 724 G CA 0.218 45.381 45.100 0.106 0.000 0.625 724 G HN 0.486 nan 8.290 nan 0.000 0.532 725 F N 1.743 121.743 119.950 0.084 0.000 2.154 725 F HA -0.006 4.291 4.527 -0.384 0.000 0.301 725 F C 2.550 178.387 175.800 0.062 0.000 1.087 725 F CA 2.271 60.331 58.000 0.100 0.000 1.274 725 F CB -0.089 38.946 39.000 0.059 0.000 1.009 725 F HN 0.225 nan 8.300 nan 0.000 0.485 726 R N 0.164 120.708 120.500 0.073 0.000 2.339 726 R HA -0.054 4.056 4.340 -0.384 0.000 0.199 726 R C 1.217 177.454 176.300 -0.105 0.000 1.018 726 R CA 0.467 56.551 56.100 -0.026 0.000 1.036 726 R CB -0.434 29.889 30.300 0.038 0.000 0.899 726 R HN 0.324 nan 8.270 nan 0.000 0.473 727 N N 0.389 119.004 118.700 -0.142 0.000 2.446 727 N HA 0.002 4.512 4.740 -0.384 0.000 0.179 727 N C 0.475 175.881 175.510 -0.173 0.000 1.054 727 N CA 0.514 53.421 53.050 -0.238 0.000 0.905 727 N CB 0.225 38.524 38.487 -0.314 0.000 0.973 727 N HN 0.147 nan 8.380 nan 0.000 0.448 728 L N 1.159 122.312 121.223 -0.116 0.000 2.452 728 L HA 0.062 4.172 4.340 -0.384 0.000 0.267 728 L C 1.186 178.107 176.870 0.086 0.000 1.188 728 L CA -0.432 54.427 54.840 0.033 0.000 0.821 728 L CB 0.338 42.310 42.059 -0.144 0.000 1.102 728 L HN 0.247 nan 8.230 nan 0.000 0.470 729 H N 1.320 120.458 119.070 0.113 0.000 2.929 729 H HA -0.062 4.264 4.556 -0.384 0.000 0.358 729 H C 0.791 176.121 175.328 0.004 0.000 1.111 729 H CA 0.433 56.523 56.048 0.070 0.000 1.409 729 H CB 1.430 31.224 29.762 0.054 0.000 1.373 729 H HN 0.440 nan 8.280 nan 0.000 0.610 730 V N 4.123 124.091 119.914 0.091 0.000 2.392 730 V HA -0.223 3.667 4.120 -0.384 0.000 0.249 730 V C 1.473 177.715 176.094 0.245 0.000 1.059 730 V CA 2.471 64.853 62.300 0.137 0.000 1.051 730 V CB -0.203 31.636 31.823 0.027 0.000 0.658 730 V HN 0.741 nan 8.190 nan 0.000 0.455 731 D N -0.409 120.254 120.400 0.437 0.000 2.224 731 D HA -0.098 4.311 4.640 -0.384 0.000 0.205 731 D C 1.732 178.060 176.300 0.046 0.000 0.965 731 D CA 1.121 55.191 54.000 0.117 0.000 0.852 731 D CB -0.163 40.605 40.800 -0.054 0.000 0.947 731 D HN 0.510 nan 8.370 nan 0.000 0.494 732 D N 0.721 121.167 120.400 0.076 0.000 2.194 732 D HA -0.065 4.345 4.640 -0.384 0.000 0.204 732 D C 2.098 178.437 176.300 0.065 0.000 0.964 732 D CA 0.480 54.512 54.000 0.053 0.000 0.846 732 D CB -0.063 40.789 40.800 0.087 0.000 0.962 732 D HN 0.313 nan 8.370 nan 0.000 0.490 733 Q N -0.233 119.584 119.800 0.028 0.000 2.061 733 Q HA -0.159 3.951 4.340 -0.384 0.000 0.204 733 Q C 2.009 178.147 176.000 0.231 0.000 0.984 733 Q CA 1.159 56.974 55.803 0.021 0.000 0.846 733 Q CB -0.131 28.595 28.738 -0.020 0.000 0.902 733 Q HN 0.168 nan 8.270 nan 0.000 0.421 734 M N 0.326 120.001 119.600 0.125 0.000 2.288 734 M HA 0.020 4.270 4.480 -0.384 0.000 0.266 734 M C 1.896 178.178 176.300 -0.029 0.000 1.072 734 M CA 1.285 56.631 55.300 0.077 0.000 1.132 734 M CB -0.431 32.193 32.600 0.039 0.000 1.386 734 M HN 0.173 nan 8.290 nan 0.000 0.432 735 A N -0.837 121.927 122.820 -0.094 0.000 1.858 735 A HA -0.118 3.971 4.320 -0.384 0.000 0.216 735 A C 2.181 179.531 177.584 -0.390 0.000 1.190 735 A CA 2.082 53.897 52.037 -0.370 0.000 0.617 735 A CB -1.302 17.585 19.000 -0.190 0.000 0.827 735 A HN 0.316 nan 8.150 nan 0.000 0.443 736 V N 0.260 120.181 119.914 0.012 0.000 2.324 736 V HA -0.307 3.583 4.120 -0.384 0.000 0.250 736 V C 2.435 178.629 176.094 0.167 0.000 1.060 736 V CA 2.233 64.651 62.300 0.197 0.000 1.042 736 V CB -0.676 31.369 31.823 0.370 0.000 0.650 736 V HN 0.576 nan 8.190 nan 0.000 0.450 737 I N -0.668 119.998 120.570 0.160 0.000 2.252 737 I HA -0.267 3.673 4.170 -0.384 0.000 0.245 737 I C 2.582 178.831 176.117 0.219 0.000 1.102 737 I CA 1.464 62.868 61.300 0.173 0.000 1.385 737 I CB -0.375 37.714 38.000 0.149 0.000 1.064 737 I HN 0.354 nan 8.210 nan 0.000 0.414 738 Q N -0.446 119.399 119.800 0.075 0.000 2.291 738 Q HA -0.169 3.940 4.340 -0.384 0.000 0.205 738 Q C 1.785 177.979 176.000 0.324 0.000 0.970 738 Q CA 1.277 57.174 55.803 0.157 0.000 0.876 738 Q CB 0.079 28.748 28.738 -0.115 0.000 0.935 738 Q HN 0.532 nan 8.270 nan 0.000 0.455 739 Y N -0.745 119.696 120.300 0.235 0.000 2.389 739 Y HA -0.001 4.319 4.550 -0.384 0.000 0.292 739 Y C 2.501 178.428 175.900 0.045 0.000 1.117 739 Y CA 0.815 58.971 58.100 0.094 0.000 1.195 739 Y CB -0.218 38.260 38.460 0.030 0.000 1.076 739 Y HN 0.080 nan 8.280 nan 0.000 0.548 740 S N 0.500 116.348 115.700 0.248 0.000 2.575 740 S HA -0.066 4.174 4.470 -0.384 0.000 0.215 740 S C 1.700 176.363 174.600 0.105 0.000 0.966 740 S CA -0.097 58.180 58.200 0.128 0.000 0.911 740 S CB -1.038 62.228 63.200 0.111 0.000 0.780 740 S HN 0.634 nan 8.310 nan 0.000 0.514 741 W N 1.125 122.504 121.300 0.133 0.000 2.342 741 W HA -0.147 4.284 4.660 -0.382 0.000 0.297 741 W C 1.617 178.197 176.519 0.101 0.000 1.213 741 W CA 0.999 58.407 57.345 0.106 0.000 1.251 741 W CB -1.062 28.461 29.460 0.105 0.000 1.136 741 W HN 0.383 nan 8.180 nan 0.000 0.526 742 M N 2.714 121.887 119.600 -0.713 0.000 2.065 742 M HA 0.028 4.278 4.480 -0.384 0.000 0.259 742 M C 2.491 178.646 176.300 -0.241 0.000 1.069 742 M CA 3.001 57.899 55.300 -0.671 0.000 1.110 742 M CB -1.338 30.633 32.600 -1.048 0.000 1.328 742 M HN 0.032 nan 8.290 nan 0.000 0.405 743 G N -0.170 108.513 108.800 -0.195 0.000 2.418 743 G HA2 -0.183 3.547 3.960 -0.384 0.000 0.217 743 G HA3 -0.183 3.547 3.960 -0.384 0.000 0.217 743 G C 1.555 176.468 174.900 0.022 0.000 1.158 743 G CA 1.138 46.190 45.100 -0.080 0.000 0.771 743 G HN 0.494 nan 8.290 nan 0.000 0.545 744 L N -0.312 120.928 121.223 0.029 0.000 2.012 744 L HA -0.085 4.025 4.340 -0.384 0.000 0.210 744 L C 3.116 180.054 176.870 0.113 0.000 1.073 744 L CA 1.285 56.157 54.840 0.054 0.000 0.748 744 L CB -0.281 41.796 42.059 0.029 0.000 0.891 744 L HN 0.251 nan 8.230 nan 0.000 0.431 745 M N -1.465 118.214 119.600 0.131 0.000 2.200 745 M HA -0.149 4.101 4.480 -0.384 0.000 0.265 745 M C 2.239 178.630 176.300 0.152 0.000 1.066 745 M CA 1.072 56.463 55.300 0.152 0.000 1.127 745 M CB -0.186 32.548 32.600 0.223 0.000 1.379 745 M HN 0.068 nan 8.290 nan 0.000 0.420 746 V N -0.103 119.890 119.914 0.132 0.000 2.358 746 V HA -0.256 3.633 4.120 -0.384 0.000 0.246 746 V C 2.127 178.349 176.094 0.214 0.000 1.047 746 V CA 1.775 64.149 62.300 0.123 0.000 1.035 746 V CB -0.720 31.143 31.823 0.067 0.000 0.658 746 V HN 0.340 nan 8.190 nan 0.000 0.452 747 F N 1.455 121.477 119.950 0.119 0.000 2.095 747 F HA -0.178 4.117 4.527 -0.387 0.000 0.298 747 F C 2.300 178.328 175.800 0.380 0.000 1.104 747 F CA 1.509 59.665 58.000 0.260 0.000 1.232 747 F CB -0.617 38.508 39.000 0.208 0.000 0.987 747 F HN 0.081 nan 8.300 nan 0.000 0.475 748 A N 0.165 123.197 122.820 0.354 0.000 1.930 748 A HA -0.190 3.899 4.320 -0.384 0.000 0.217 748 A C 2.313 179.957 177.584 0.100 0.000 1.175 748 A CA 1.628 53.830 52.037 0.275 0.000 0.627 748 A CB -0.824 18.298 19.000 0.203 0.000 0.815 748 A HN 0.486 nan 8.150 nan 0.000 0.443 749 M N 0.220 119.866 119.600 0.076 0.000 2.175 749 M HA -0.093 4.157 4.480 -0.384 0.000 0.264 749 M C 1.998 178.253 176.300 -0.075 0.000 1.063 749 M CA 1.885 57.171 55.300 -0.024 0.000 1.119 749 M CB -1.257 31.298 32.600 -0.075 0.000 1.377 749 M HN 0.381 nan 8.290 nan 0.000 0.415 750 G N -0.428 108.381 108.800 0.015 0.000 2.408 750 G HA2 -0.272 3.458 3.960 -0.384 0.000 0.217 750 G HA3 -0.272 3.458 3.960 -0.384 0.000 0.217 750 G C 1.459 176.384 174.900 0.041 0.000 1.150 750 G CA 0.496 45.644 45.100 0.081 0.000 0.776 750 G HN 0.699 nan 8.290 nan 0.000 0.542 751 W N 1.597 122.621 121.300 -0.461 0.000 2.379 751 W HA -0.044 4.383 4.660 -0.388 0.000 0.307 751 W C 2.538 178.693 176.519 -0.607 0.000 1.200 751 W CA 1.019 57.737 57.345 -1.044 0.000 1.297 751 W CB -0.068 28.314 29.460 -1.796 0.000 1.140 751 W HN 0.159 nan 8.180 nan 0.000 0.507 752 R N 0.273 120.532 120.500 -0.401 0.000 2.091 752 R HA -0.147 3.962 4.340 -0.384 0.000 0.238 752 R C 2.388 178.381 176.300 -0.512 0.000 1.136 752 R CA 2.034 57.865 56.100 -0.449 0.000 0.959 752 R CB -0.774 29.426 30.300 -0.167 0.000 0.856 752 R HN 0.070 nan 8.270 nan 0.000 0.437 753 S N 0.684 116.200 115.700 -0.306 0.000 2.382 753 S HA -0.140 4.099 4.470 -0.384 0.000 0.228 753 S C 1.466 175.892 174.600 -0.289 0.000 1.027 753 S CA 1.103 59.161 58.200 -0.235 0.000 0.991 753 S CB -0.292 62.814 63.200 -0.155 0.000 0.823 753 S HN 0.291 nan 8.310 nan 0.000 0.469 754 F N 3.175 122.831 119.950 -0.491 0.000 2.060 754 F HA -0.136 4.163 4.527 -0.381 0.000 0.295 754 F C 2.675 178.095 175.800 -0.634 0.000 1.120 754 F CA 1.939 59.619 58.000 -0.534 0.000 1.205 754 F CB -1.271 37.361 39.000 -0.614 0.000 0.986 754 F HN 0.277 nan 8.300 nan 0.000 0.470 755 T N -1.700 112.152 114.554 -1.171 0.000 3.035 755 T HA -0.064 4.056 4.350 -0.384 0.000 0.268 755 T C 1.561 175.784 174.700 -0.794 0.000 1.109 755 T CA 1.307 62.711 62.100 -1.160 0.000 1.119 755 T CB -0.407 67.792 68.868 -1.114 0.000 0.900 755 T HN 0.296 nan 8.240 nan 0.000 0.503 756 N N 1.043 119.310 118.700 -0.721 0.000 2.499 756 N HA 0.111 4.621 4.740 -0.384 0.000 0.182 756 N C 1.428 176.685 175.510 -0.422 0.000 1.034 756 N CA 1.336 54.011 53.050 -0.626 0.000 0.882 756 N CB 0.898 38.777 38.487 -1.014 0.000 1.125 756 N HN 0.532 nan 8.380 nan 0.000 0.436 757 V N -2.207 117.494 119.914 -0.356 0.000 3.111 757 V HA 0.399 4.289 4.120 -0.384 0.000 0.343 757 V C -0.553 175.421 176.094 -0.199 0.000 1.417 757 V CA -0.530 61.646 62.300 -0.207 0.000 1.142 757 V CB -0.600 31.174 31.823 -0.082 0.000 1.114 757 V HN -0.009 nan 8.190 nan 0.000 0.520 758 N N 1.547 120.070 118.700 -0.295 0.000 2.714 758 N HA -0.240 4.270 4.740 -0.384 0.000 0.252 758 N C 0.691 176.132 175.510 -0.116 0.000 1.014 758 N CA 1.143 54.058 53.050 -0.226 0.000 0.735 758 N CB -1.687 36.692 38.487 -0.180 0.000 0.924 758 N HN 0.873 nan 8.380 nan 0.000 0.540 759 S N -4.682 110.950 115.700 -0.113 0.000 3.011 759 S HA -0.361 3.879 4.470 -0.384 0.000 0.278 759 S C 2.023 176.571 174.600 -0.087 0.000 1.300 759 S CA 1.930 60.066 58.200 -0.108 0.000 1.248 759 S CB -1.497 61.609 63.200 -0.157 0.000 1.517 759 S HN 0.972 nan 8.310 nan 0.000 0.685 760 R N -0.003 120.457 120.500 -0.068 0.000 2.091 760 R HA 0.295 4.405 4.340 -0.384 0.000 0.238 760 R C 0.989 177.283 176.300 -0.009 0.000 1.136 760 R CA 2.031 58.113 56.100 -0.030 0.000 0.959 760 R CB -0.645 29.641 30.300 -0.024 0.000 0.856 760 R HN 0.657 nan 8.270 nan 0.000 0.437 761 M N -1.355 118.239 119.600 -0.011 0.000 2.667 761 M HA 0.521 4.771 4.480 -0.384 0.000 0.286 761 M C -1.115 175.165 176.300 -0.034 0.000 1.270 761 M CA -0.877 54.433 55.300 0.017 0.000 0.826 761 M CB 2.611 35.251 32.600 0.066 0.000 1.743 761 M HN 0.002 nan 8.290 nan 0.000 0.460 762 L N 1.586 122.772 121.223 -0.060 0.000 2.261 762 L HA 0.265 4.374 4.340 -0.384 0.000 0.289 762 L C -1.016 175.669 176.870 -0.308 0.000 1.059 762 L CA -0.311 54.343 54.840 -0.309 0.000 0.816 762 L CB 0.029 41.742 42.059 -0.575 0.000 1.191 762 L HN 0.583 nan 8.230 nan 0.000 0.431 763 Y N 3.766 123.845 120.300 -0.369 0.000 2.636 763 Y HA 0.121 4.440 4.550 -0.384 0.000 0.334 763 Y C 0.851 176.597 175.900 -0.256 0.000 1.286 763 Y CA -0.028 57.933 58.100 -0.231 0.000 1.688 763 Y CB -0.162 38.181 38.460 -0.194 0.000 1.662 763 Y HN 0.488 nan 8.280 nan 0.000 0.465 764 F N 2.195 122.045 119.950 -0.166 0.000 2.134 764 F HA 0.014 4.313 4.527 -0.381 0.000 0.299 764 F C 1.476 177.181 175.800 -0.158 0.000 1.097 764 F CA 1.121 59.020 58.000 -0.168 0.000 1.264 764 F CB -0.052 38.793 39.000 -0.260 0.000 1.001 764 F HN 0.411 nan 8.300 nan 0.000 0.479 765 A N -1.774 120.962 122.820 -0.140 0.000 2.610 765 A HA 0.483 4.573 4.320 -0.384 0.000 0.291 765 A C -2.167 175.102 177.584 -0.526 0.000 1.086 765 A CA -1.038 50.879 52.037 -0.201 0.000 0.677 765 A CB 0.282 19.248 19.000 -0.056 0.000 1.278 765 A HN -0.169 nan 8.150 nan 0.000 0.414 766 P HA -0.100 nan 4.420 nan 0.000 0.219 766 P C 0.335 177.523 177.300 -0.187 0.000 1.146 766 P CA 1.809 64.748 63.100 -0.268 0.000 0.808 766 P CB 0.133 31.834 31.700 0.001 0.000 0.779 767 D N -1.746 118.590 120.400 -0.106 0.000 2.368 767 D HA 0.097 4.506 4.640 -0.384 0.000 0.218 767 D C 0.097 176.409 176.300 0.020 0.000 1.112 767 D CA -0.089 53.900 54.000 -0.018 0.000 0.834 767 D CB -0.177 40.639 40.800 0.025 0.000 0.953 767 D HN 0.098 nan 8.370 nan 0.000 0.505 768 L N 1.036 122.227 121.223 -0.053 0.000 2.457 768 L HA 0.284 4.394 4.340 -0.384 0.000 0.259 768 L C -1.657 175.267 176.870 0.091 0.000 1.377 768 L CA -0.635 54.216 54.840 0.019 0.000 0.887 768 L CB 1.444 43.504 42.059 0.001 0.000 1.085 768 L HN -0.216 nan 8.230 nan 0.000 0.509 769 V N 2.975 122.934 119.914 0.075 0.000 2.394 769 V HA 0.439 4.329 4.120 -0.384 0.000 0.282 769 V C -0.166 176.127 176.094 0.333 0.000 1.031 769 V CA -0.399 61.969 62.300 0.112 0.000 0.881 769 V CB 1.272 33.092 31.823 -0.006 0.000 0.982 769 V HN 0.300 nan 8.190 nan 0.000 0.451 770 F N 5.115 125.126 119.950 0.102 0.000 2.411 770 F HA 0.435 4.730 4.527 -0.385 0.000 0.355 770 F C 0.680 176.529 175.800 0.081 0.000 1.117 770 F CA -1.029 57.045 58.000 0.123 0.000 1.139 770 F CB 0.981 40.124 39.000 0.239 0.000 1.120 770 F HN 0.694 nan 8.300 nan 0.000 0.493 771 N N 1.605 120.407 118.700 0.171 0.000 2.530 771 N HA 0.209 4.719 4.740 -0.384 0.000 0.283 771 N C 0.682 176.293 175.510 0.168 0.000 1.238 771 N CA -0.621 52.516 53.050 0.146 0.000 0.971 771 N CB 0.385 38.942 38.487 0.117 0.000 1.195 771 N HN 0.396 nan 8.380 nan 0.000 0.583 772 E N -0.863 119.449 120.200 0.186 0.000 2.118 772 E HA -0.244 3.875 4.350 -0.384 0.000 0.195 772 E C 1.224 177.996 176.600 0.287 0.000 0.992 772 E CA 1.274 57.831 56.400 0.262 0.000 0.804 772 E CB -0.425 29.429 29.700 0.258 0.000 0.741 772 E HN 0.642 nan 8.360 nan 0.000 0.458 773 Y N 1.749 122.108 120.300 0.098 0.000 2.145 773 Y HA -0.189 4.130 4.550 -0.385 0.000 0.286 773 Y C 2.358 178.287 175.900 0.050 0.000 1.145 773 Y CA 1.747 59.887 58.100 0.067 0.000 1.148 773 Y CB -0.109 38.358 38.460 0.012 0.000 0.981 773 Y HN -0.123 nan 8.280 nan 0.000 0.507 774 R N -0.666 119.762 120.500 -0.119 0.000 2.092 774 R HA -0.149 3.961 4.340 -0.384 0.000 0.231 774 R C 2.330 178.424 176.300 -0.343 0.000 1.119 774 R CA 1.760 57.564 56.100 -0.493 0.000 0.970 774 R CB -0.319 29.409 30.300 -0.953 0.000 0.864 774 R HN 0.413 nan 8.270 nan 0.000 0.440 775 M N -0.598 119.028 119.600 0.044 0.000 2.202 775 M HA -0.218 4.032 4.480 -0.384 0.000 0.262 775 M C 2.330 178.825 176.300 0.325 0.000 1.063 775 M CA 1.451 56.927 55.300 0.293 0.000 1.097 775 M CB -0.381 32.339 32.600 0.200 0.000 1.382 775 M HN 0.288 nan 8.290 nan 0.000 0.413 776 H N 0.669 119.855 119.070 0.194 0.000 2.343 776 H HA -0.034 4.291 4.556 -0.385 0.000 0.303 776 H C 1.611 176.917 175.328 -0.037 0.000 1.068 776 H CA 1.107 57.216 56.048 0.101 0.000 1.359 776 H CB 0.290 30.034 29.762 -0.030 0.000 1.402 776 H HN 0.105 nan 8.280 nan 0.000 0.515 777 K N 0.972 121.290 120.400 -0.136 0.000 2.283 777 K HA -0.056 4.033 4.320 -0.384 0.000 0.202 777 K C 2.176 178.794 176.600 0.031 0.000 1.048 777 K CA 0.991 57.187 56.287 -0.152 0.000 0.948 777 K CB -0.294 32.024 32.500 -0.303 0.000 0.742 777 K HN 0.403 nan 8.250 nan 0.000 0.458 778 S N 0.420 116.167 115.700 0.078 0.000 2.522 778 S HA -0.009 4.231 4.470 -0.384 0.000 0.227 778 S C 0.607 175.462 174.600 0.425 0.000 0.986 778 S CA 0.019 58.398 58.200 0.298 0.000 0.929 778 S CB -0.223 63.175 63.200 0.329 0.000 0.769 778 S HN 0.297 nan 8.310 nan 0.000 0.529 779 R N -0.515 120.083 120.500 0.164 0.000 3.875 779 R HA -0.145 3.964 4.340 -0.384 0.000 0.321 779 R C -0.293 176.153 176.300 0.243 0.000 1.196 779 R CA 1.463 57.624 56.100 0.103 0.000 0.868 779 R CB -2.419 27.867 30.300 -0.023 0.000 1.333 779 R HN 0.561 nan 8.270 nan 0.000 0.522 780 M N -1.320 118.359 119.600 0.132 0.000 2.785 780 M HA 0.145 4.394 4.480 -0.384 0.000 0.374 780 M C 0.737 177.071 176.300 0.058 0.000 1.221 780 M CA -0.226 55.042 55.300 -0.053 0.000 0.912 780 M CB 0.338 32.737 32.600 -0.334 0.000 1.355 780 M HN 0.117 nan 8.290 nan 0.000 0.513 781 Y N 2.000 122.322 120.300 0.036 0.000 2.128 781 Y HA -0.315 4.004 4.550 -0.385 0.000 0.284 781 Y C 2.676 178.612 175.900 0.061 0.000 1.154 781 Y CA 2.678 60.819 58.100 0.069 0.000 1.149 781 Y CB 0.142 38.648 38.460 0.078 0.000 0.976 781 Y HN 0.472 nan 8.280 nan 0.000 0.505 782 S N -0.468 115.369 115.700 0.228 0.000 2.368 782 S HA -0.278 3.962 4.470 -0.384 0.000 0.225 782 S C 1.724 176.339 174.600 0.026 0.000 1.030 782 S CA 1.517 59.801 58.200 0.140 0.000 0.999 782 S CB -0.627 62.659 63.200 0.143 0.000 0.844 782 S HN 0.532 nan 8.310 nan 0.000 0.459 783 Q N 0.607 120.407 119.800 -0.001 0.000 2.119 783 Q HA 0.096 4.206 4.340 -0.384 0.000 0.201 783 Q C 2.459 178.420 176.000 -0.065 0.000 0.972 783 Q CA 1.558 57.336 55.803 -0.042 0.000 0.847 783 Q CB -0.979 27.697 28.738 -0.103 0.000 0.903 783 Q HN 0.676 nan 8.270 nan 0.000 0.433 784 C N -0.686 118.559 119.300 -0.092 0.000 2.425 784 C HA -0.058 4.172 4.460 -0.384 0.000 0.277 784 C C 2.554 177.458 174.990 -0.144 0.000 1.280 784 C CA 0.307 59.264 59.018 -0.102 0.000 1.744 784 C CB -0.772 26.922 27.740 -0.077 0.000 1.989 784 C HN 0.331 nan 8.230 nan 0.000 0.491 785 V N 1.090 120.883 119.914 -0.201 0.000 2.287 785 V HA -0.244 3.646 4.120 -0.384 0.000 0.248 785 V C 2.610 178.690 176.094 -0.024 0.000 1.053 785 V CA 1.917 64.136 62.300 -0.136 0.000 1.027 785 V CB -0.625 31.141 31.823 -0.095 0.000 0.646 785 V HN 0.516 nan 8.190 nan 0.000 0.447 786 R N -0.698 119.792 120.500 -0.016 0.000 2.096 786 R HA -0.136 3.974 4.340 -0.384 0.000 0.235 786 R C 2.304 178.627 176.300 0.038 0.000 1.127 786 R CA 1.667 57.781 56.100 0.023 0.000 0.968 786 R CB -0.394 29.911 30.300 0.008 0.000 0.861 786 R HN 0.457 nan 8.270 nan 0.000 0.440 787 M N -0.292 119.300 119.600 -0.014 0.000 2.175 787 M HA -0.129 4.120 4.480 -0.384 0.000 0.264 787 M C 2.450 178.713 176.300 -0.062 0.000 1.063 787 M CA 1.439 56.716 55.300 -0.037 0.000 1.119 787 M CB -0.223 32.333 32.600 -0.074 0.000 1.377 787 M HN 0.071 nan 8.290 nan 0.000 0.415 788 R N -0.748 119.712 120.500 -0.066 0.000 2.115 788 R HA -0.186 3.923 4.340 -0.384 0.000 0.230 788 R C 2.089 178.334 176.300 -0.092 0.000 1.111 788 R CA 1.572 57.619 56.100 -0.088 0.000 0.976 788 R CB -0.215 30.041 30.300 -0.072 0.000 0.870 788 R HN 0.367 nan 8.270 nan 0.000 0.445 789 H N 0.225 119.235 119.070 -0.100 0.000 2.321 789 H HA -0.147 4.164 4.556 -0.407 0.000 0.300 789 H C 1.823 177.056 175.328 -0.159 0.000 1.087 789 H CA 1.909 57.908 56.048 -0.081 0.000 1.319 789 H CB -0.138 29.638 29.762 0.023 0.000 1.379 789 H HN 0.203 nan 8.280 nan 0.000 0.501 790 L N -0.277 120.905 121.223 -0.068 0.000 2.042 790 L HA -0.166 3.944 4.340 -0.384 0.000 0.210 790 L C 2.524 179.168 176.870 -0.376 0.000 1.076 790 L CA 2.263 56.992 54.840 -0.185 0.000 0.749 790 L CB -1.402 40.616 42.059 -0.068 0.000 0.893 790 L HN 0.340 nan 8.230 nan 0.000 0.432 791 S N -1.128 114.432 115.700 -0.233 0.000 2.368 791 S HA -0.252 3.988 4.470 -0.384 0.000 0.225 791 S C 1.942 176.343 174.600 -0.332 0.000 1.030 791 S CA 1.588 59.710 58.200 -0.129 0.000 0.999 791 S CB -0.294 62.854 63.200 -0.087 0.000 0.844 791 S HN 0.725 nan 8.310 nan 0.000 0.459 792 Q N 0.197 119.649 119.800 -0.580 0.000 2.170 792 Q HA -0.098 4.012 4.340 -0.384 0.000 0.203 792 Q C 2.153 177.405 176.000 -1.247 0.000 0.976 792 Q CA 1.198 56.368 55.803 -1.054 0.000 0.858 792 Q CB -0.190 27.625 28.738 -1.538 0.000 0.907 792 Q HN 0.559 nan 8.270 nan 0.000 0.433 793 E N 0.325 120.008 120.200 -0.861 0.000 2.118 793 E HA -0.166 3.954 4.350 -0.384 0.000 0.195 793 E C 1.733 178.068 176.600 -0.441 0.000 0.992 793 E CA 0.927 57.052 56.400 -0.458 0.000 0.804 793 E CB -0.162 29.322 29.700 -0.360 0.000 0.741 793 E HN 0.345 nan 8.360 nan 0.000 0.458 794 F N 0.590 120.232 119.950 -0.514 0.000 2.202 794 F HA -0.113 4.188 4.527 -0.377 0.000 0.301 794 F C 2.447 177.650 175.800 -0.995 0.000 1.082 794 F CA 1.344 58.932 58.000 -0.687 0.000 1.313 794 F CB -0.846 37.602 39.000 -0.921 0.000 1.024 794 F HN 0.072 nan 8.300 nan 0.000 0.495 795 G N -1.286 107.010 108.800 -0.840 0.000 2.408 795 G HA2 -0.164 3.566 3.960 -0.384 0.000 0.213 795 G HA3 -0.164 3.566 3.960 -0.384 0.000 0.213 795 G C 1.389 176.238 174.900 -0.084 0.000 1.177 795 G CA 0.265 45.094 45.100 -0.452 0.000 0.802 795 G HN 0.234 nan 8.290 nan 0.000 0.533 796 W N 0.854 122.076 121.300 -0.130 0.000 2.350 796 W HA 0.109 4.784 4.660 0.025 0.000 0.289 796 W C 2.191 178.675 176.519 -0.058 0.000 1.215 796 W CA 0.424 57.721 57.345 -0.080 0.000 1.236 796 W CB -0.836 28.562 29.460 -0.103 0.000 1.130 796 W HN 0.151 nan 8.180 nan 0.000 0.541 797 L N -0.298 121.005 121.223 0.134 0.000 2.567 797 L HA 0.059 4.169 4.340 -0.384 0.000 0.225 797 L C 0.818 177.743 176.870 0.090 0.000 1.119 797 L CA 0.322 55.219 54.840 0.096 0.000 0.871 797 L CB -0.597 41.501 42.059 0.065 0.000 1.036 797 L HN -0.048 nan 8.230 nan 0.000 0.459 798 Q N 0.797 120.637 119.800 0.066 0.000 2.468 798 Q HA -0.197 3.913 4.340 -0.384 0.000 0.289 798 Q C -0.279 175.808 176.000 0.143 0.000 1.299 798 Q CA 0.156 56.019 55.803 0.100 0.000 0.838 798 Q CB -1.260 27.547 28.738 0.115 0.000 1.195 798 Q HN 0.283 nan 8.270 nan 0.000 0.456 799 I N 1.655 122.322 120.570 0.162 0.000 2.668 799 I HA -0.023 3.916 4.170 -0.384 0.000 0.285 799 I C 1.650 177.977 176.117 0.350 0.000 1.168 799 I CA 1.069 62.538 61.300 0.282 0.000 1.424 799 I CB -0.048 38.242 38.000 0.483 0.000 1.377 799 I HN 0.230 nan 8.210 nan 0.000 0.560 800 T N 4.508 119.223 114.554 0.267 0.000 2.899 800 T HA 0.309 4.428 4.350 -0.384 0.000 0.284 800 T C -1.787 173.044 174.700 0.218 0.000 1.004 800 T CA -1.681 60.578 62.100 0.265 0.000 1.043 800 T CB 1.498 70.472 68.868 0.177 0.000 1.013 800 T HN 0.305 nan 8.240 nan 0.000 0.518 801 P HA -0.106 nan 4.420 nan 0.000 0.216 801 P C 1.472 178.791 177.300 0.031 0.000 1.150 801 P CA 1.058 64.234 63.100 0.126 0.000 0.837 801 P CB 0.042 31.888 31.700 0.245 0.000 0.786 802 Q N -0.429 119.417 119.800 0.078 0.000 2.119 802 Q HA -0.134 3.976 4.340 -0.384 0.000 0.201 802 Q C 2.035 178.074 176.000 0.066 0.000 0.972 802 Q CA 1.433 57.276 55.803 0.066 0.000 0.847 802 Q CB -0.815 27.975 28.738 0.087 0.000 0.903 802 Q HN 0.416 nan 8.270 nan 0.000 0.433 803 E N -0.462 119.791 120.200 0.088 0.000 2.072 803 E HA -0.144 3.975 4.350 -0.384 0.000 0.190 803 E C 1.598 178.252 176.600 0.091 0.000 0.982 803 E CA 0.733 57.202 56.400 0.115 0.000 0.803 803 E CB -0.206 29.586 29.700 0.153 0.000 0.755 803 E HN 0.305 nan 8.360 nan 0.000 0.453 804 F N 1.912 121.745 119.950 -0.196 0.000 2.095 804 F HA -0.229 4.067 4.527 -0.385 0.000 0.298 804 F C 1.863 177.573 175.800 -0.151 0.000 1.104 804 F CA 1.435 59.206 58.000 -0.382 0.000 1.232 804 F CB -0.367 37.747 39.000 -1.477 0.000 0.987 804 F HN -0.087 nan 8.300 nan 0.000 0.475 805 L N -0.530 120.423 121.223 -0.451 0.000 2.012 805 L HA -0.317 3.793 4.340 -0.384 0.000 0.210 805 L C 2.685 179.474 176.870 -0.135 0.000 1.073 805 L CA 1.648 56.252 54.840 -0.394 0.000 0.748 805 L CB -1.198 40.774 42.059 -0.146 0.000 0.891 805 L HN 0.313 nan 8.230 nan 0.000 0.431 806 C N -0.645 118.673 119.300 0.030 0.000 2.446 806 C HA -0.159 4.071 4.460 -0.384 0.000 0.277 806 C C 2.908 178.003 174.990 0.176 0.000 1.275 806 C CA 0.638 59.790 59.018 0.223 0.000 1.727 806 C CB -0.628 27.278 27.740 0.277 0.000 2.010 806 C HN 0.484 nan 8.230 nan 0.000 0.486 807 M N 0.542 120.188 119.600 0.077 0.000 2.117 807 M HA -0.176 4.074 4.480 -0.384 0.000 0.262 807 M C 2.351 178.551 176.300 -0.165 0.000 1.065 807 M CA 1.659 56.963 55.300 0.006 0.000 1.114 807 M CB -0.539 32.129 32.600 0.112 0.000 1.361 807 M HN 0.377 nan 8.290 nan 0.000 0.408 808 K N 0.588 120.887 120.400 -0.168 0.000 2.057 808 K HA -0.134 3.956 4.320 -0.384 0.000 0.207 808 K C 1.929 178.526 176.600 -0.006 0.000 1.049 808 K CA 1.506 57.673 56.287 -0.200 0.000 0.931 808 K CB -0.107 32.155 32.500 -0.397 0.000 0.714 808 K HN 0.263 nan 8.250 nan 0.000 0.440 809 A N 1.268 124.181 122.820 0.154 0.000 1.883 809 A HA -0.164 3.925 4.320 -0.384 0.000 0.217 809 A C 2.131 179.742 177.584 0.044 0.000 1.186 809 A CA 1.420 53.599 52.037 0.238 0.000 0.624 809 A CB -0.741 18.495 19.000 0.393 0.000 0.822 809 A HN 0.374 nan 8.150 nan 0.000 0.444 810 L N -0.573 120.741 121.223 0.151 0.000 2.127 810 L HA -0.177 3.932 4.340 -0.384 0.000 0.211 810 L C 2.468 179.361 176.870 0.037 0.000 1.089 810 L CA 0.899 55.847 54.840 0.181 0.000 0.757 810 L CB -0.325 41.870 42.059 0.226 0.000 0.899 810 L HN 0.425 nan 8.230 nan 0.000 0.434 811 L N -0.855 120.320 121.223 -0.080 0.000 2.191 811 L HA -0.250 3.860 4.340 -0.384 0.000 0.212 811 L C 2.452 179.259 176.870 -0.106 0.000 1.103 811 L CA 0.674 55.438 54.840 -0.127 0.000 0.769 811 L CB -0.338 41.589 42.059 -0.220 0.000 0.908 811 L HN 0.315 nan 8.230 nan 0.000 0.438 812 L N -0.741 120.356 121.223 -0.210 0.000 2.201 812 L HA -0.128 3.982 4.340 -0.384 0.000 0.212 812 L C 1.024 177.646 176.870 -0.413 0.000 1.105 812 L CA 1.694 56.312 54.840 -0.371 0.000 0.775 812 L CB -0.268 41.362 42.059 -0.715 0.000 0.913 812 L HN 0.034 nan 8.230 nan 0.000 0.440 813 F N -1.236 118.755 119.950 0.068 0.000 2.925 813 F HA 0.344 4.640 4.527 -0.384 0.000 0.302 813 F C 1.382 177.305 175.800 0.205 0.000 1.189 813 F CA -0.228 57.850 58.000 0.130 0.000 1.346 813 F CB -0.434 38.405 39.000 -0.270 0.000 0.954 813 F HN -0.090 nan 8.300 nan 0.000 0.506 814 S N 0.707 116.542 115.700 0.224 0.000 2.730 814 S HA 0.397 4.637 4.470 -0.384 0.000 0.244 814 S C -0.001 174.612 174.600 0.021 0.000 1.022 814 S CA -0.143 58.105 58.200 0.079 0.000 1.014 814 S CB 0.278 63.446 63.200 -0.053 0.000 0.963 814 S HN 0.355 nan 8.310 nan 0.000 0.540 815 I N 2.065 122.690 120.570 0.091 0.000 2.651 815 I HA 0.504 4.444 4.170 -0.384 0.000 0.287 815 I C -1.799 174.300 176.117 -0.030 0.000 1.244 815 I CA -0.909 60.385 61.300 -0.010 0.000 1.061 815 I CB 1.193 39.182 38.000 -0.018 0.000 1.286 815 I HN 0.190 nan 8.210 nan 0.000 0.434 816 I N 4.104 124.574 120.570 -0.168 0.000 3.191 816 I HA 0.736 4.676 4.170 -0.384 0.000 0.313 816 I C -2.876 173.057 176.117 -0.307 0.000 1.193 816 I CA -2.776 58.371 61.300 -0.255 0.000 0.968 816 I CB 1.950 39.697 38.000 -0.422 0.000 1.262 816 I HN 0.216 nan 8.210 nan 0.000 0.456 817 P HA 0.113 nan 4.420 nan 0.000 0.268 817 P C 0.891 178.086 177.300 -0.175 0.000 1.204 817 P CA -0.216 62.741 63.100 -0.238 0.000 0.768 817 P CB 1.052 32.665 31.700 -0.145 0.000 0.842 818 V N 1.988 121.812 119.914 -0.149 0.000 2.490 818 V HA -0.258 3.632 4.120 -0.384 0.000 0.250 818 V C 2.186 178.227 176.094 -0.089 0.000 1.061 818 V CA 2.706 64.942 62.300 -0.106 0.000 1.064 818 V CB -1.737 30.034 31.823 -0.087 0.000 0.670 818 V HN 0.648 nan 8.190 nan 0.000 0.461 819 D N -0.741 119.606 120.400 -0.089 0.000 2.336 819 D HA 0.403 4.813 4.640 -0.384 0.000 0.229 819 D C 1.151 177.404 176.300 -0.078 0.000 1.061 819 D CA 0.996 54.953 54.000 -0.072 0.000 0.875 819 D CB -0.244 40.518 40.800 -0.064 0.000 0.904 819 D HN 0.943 nan 8.370 nan 0.000 0.525 820 G N -1.239 107.501 108.800 -0.100 0.000 2.746 820 G HA2 -0.012 3.718 3.960 -0.384 0.000 0.685 820 G HA3 -0.012 3.718 3.960 -0.384 0.000 0.685 820 G C -0.267 174.564 174.900 -0.115 0.000 1.350 820 G CA -0.330 44.703 45.100 -0.111 0.000 0.837 820 G HN 0.705 nan 8.290 nan 0.000 0.564 821 L N 0.477 121.620 121.223 -0.133 0.000 2.472 821 L HA 0.446 4.555 4.340 -0.384 0.000 0.256 821 L C 2.152 178.959 176.870 -0.105 0.000 1.111 821 L CA -1.023 53.748 54.840 -0.114 0.000 0.800 821 L CB 0.676 42.654 42.059 -0.134 0.000 1.286 821 L HN 0.752 nan 8.230 nan 0.000 0.479 822 K N 0.323 120.648 120.400 -0.126 0.000 2.032 822 K HA -0.126 3.964 4.320 -0.384 0.000 0.209 822 K C 0.560 177.086 176.600 -0.125 0.000 1.048 822 K CA 1.314 57.498 56.287 -0.172 0.000 0.927 822 K CB -0.130 32.141 32.500 -0.381 0.000 0.712 822 K HN 0.405 nan 8.250 nan 0.000 0.441 823 N N 1.066 119.713 118.700 -0.088 0.000 2.904 823 N HA 0.004 4.514 4.740 -0.384 0.000 0.257 823 N C 0.371 175.825 175.510 -0.094 0.000 1.363 823 N CA 0.054 53.003 53.050 -0.169 0.000 0.856 823 N CB 1.379 39.702 38.487 -0.274 0.000 1.166 823 N HN -0.002 nan 8.380 nan 0.000 0.499 824 Q N 2.029 121.785 119.800 -0.074 0.000 2.135 824 Q HA -0.055 4.055 4.340 -0.384 0.000 0.204 824 Q C 1.259 177.305 176.000 0.077 0.000 0.981 824 Q CA 1.793 57.601 55.803 0.008 0.000 0.856 824 Q CB 0.229 28.950 28.738 -0.029 0.000 0.902 824 Q HN 0.443 nan 8.270 nan 0.000 0.425 825 K N -0.846 119.534 120.400 -0.033 0.000 2.063 825 K HA -0.138 3.952 4.320 -0.384 0.000 0.208 825 K C 2.011 178.721 176.600 0.183 0.000 1.048 825 K CA 1.494 57.794 56.287 0.021 0.000 0.928 825 K CB -0.295 32.166 32.500 -0.065 0.000 0.713 825 K HN 0.320 nan 8.250 nan 0.000 0.442 826 F N -0.291 119.694 119.950 0.057 0.000 2.171 826 F HA -0.209 4.087 4.527 -0.384 0.000 0.300 826 F C 2.288 178.101 175.800 0.022 0.000 1.090 826 F CA 0.222 58.237 58.000 0.026 0.000 1.293 826 F CB -0.230 38.786 39.000 0.027 0.000 1.013 826 F HN 0.015 nan 8.300 nan 0.000 0.486 827 F N 1.696 121.728 119.950 0.138 0.000 2.102 827 F HA -0.228 4.068 4.527 -0.384 0.000 0.298 827 F C 2.094 177.891 175.800 -0.005 0.000 1.105 827 F CA 1.695 59.722 58.000 0.045 0.000 1.239 827 F CB -0.521 38.520 39.000 0.067 0.000 0.991 827 F HN -0.147 nan 8.300 nan 0.000 0.474 828 D N 0.728 121.251 120.400 0.205 0.000 2.123 828 D HA -0.187 4.223 4.640 -0.384 0.000 0.196 828 D C 2.412 178.679 176.300 -0.056 0.000 0.992 828 D CA 1.839 55.885 54.000 0.077 0.000 0.833 828 D CB -0.748 40.126 40.800 0.123 0.000 0.954 828 D HN 0.608 nan 8.370 nan 0.000 0.455 829 E N 0.674 120.860 120.200 -0.023 0.000 2.106 829 E HA -0.100 4.020 4.350 -0.384 0.000 0.192 829 E C 2.002 178.518 176.600 -0.140 0.000 0.984 829 E CA 0.608 56.978 56.400 -0.050 0.000 0.806 829 E CB -0.773 28.930 29.700 0.005 0.000 0.750 829 E HN 0.128 nan 8.360 nan 0.000 0.458 830 L N 0.522 121.601 121.223 -0.240 0.000 2.027 830 L HA 0.026 4.136 4.340 -0.384 0.000 0.206 830 L C 2.599 179.200 176.870 -0.447 0.000 1.074 830 L CA 2.383 57.001 54.840 -0.371 0.000 0.745 830 L CB -0.457 41.247 42.059 -0.592 0.000 0.898 830 L HN 0.388 nan 8.230 nan 0.000 0.433 831 R N -0.812 119.315 120.500 -0.621 0.000 2.081 831 R HA -0.221 3.889 4.340 -0.384 0.000 0.235 831 R C 2.363 178.598 176.300 -0.108 0.000 1.131 831 R CA 2.011 57.859 56.100 -0.421 0.000 0.960 831 R CB -0.380 29.659 30.300 -0.436 0.000 0.856 831 R HN 0.453 nan 8.270 nan 0.000 0.436 832 M N 0.606 120.143 119.600 -0.104 0.000 2.108 832 M HA -0.197 4.052 4.480 -0.384 0.000 0.261 832 M C 1.269 177.539 176.300 -0.050 0.000 1.066 832 M CA 2.103 57.381 55.300 -0.036 0.000 1.107 832 M CB -0.190 32.385 32.600 -0.043 0.000 1.356 832 M HN 0.287 nan 8.290 nan 0.000 0.406 833 N N -1.313 117.324 118.700 -0.105 0.000 2.244 833 N HA -0.159 4.351 4.740 -0.384 0.000 0.183 833 N C 1.312 176.651 175.510 -0.284 0.000 1.016 833 N CA 1.205 54.134 53.050 -0.201 0.000 0.866 833 N CB -0.111 38.226 38.487 -0.251 0.000 0.980 833 N HN 0.408 nan 8.380 nan 0.000 0.430 834 Y N 1.024 121.223 120.300 -0.169 0.000 2.395 834 Y HA 0.068 4.387 4.550 -0.385 0.000 0.293 834 Y C 2.017 177.928 175.900 0.018 0.000 1.123 834 Y CA 0.541 58.598 58.100 -0.072 0.000 1.227 834 Y CB 0.070 38.578 38.460 0.079 0.000 1.012 834 Y HN 0.041 nan 8.280 nan 0.000 0.552 835 I N 0.146 120.827 120.570 0.186 0.000 2.315 835 I HA -0.284 3.655 4.170 -0.384 0.000 0.248 835 I C 2.607 178.801 176.117 0.128 0.000 1.117 835 I CA 1.505 62.953 61.300 0.247 0.000 1.404 835 I CB -0.464 37.720 38.000 0.307 0.000 1.071 835 I HN 0.182 nan 8.210 nan 0.000 0.419 836 K N 0.283 120.678 120.400 -0.008 0.000 2.148 836 K HA -0.152 3.938 4.320 -0.384 0.000 0.204 836 K C 1.872 178.394 176.600 -0.130 0.000 1.050 836 K CA 1.272 57.504 56.287 -0.090 0.000 0.942 836 K CB -0.594 31.827 32.500 -0.132 0.000 0.724 836 K HN 0.275 nan 8.250 nan 0.000 0.446 837 E N 0.079 120.146 120.200 -0.221 0.000 2.106 837 E HA -0.087 4.032 4.350 -0.384 0.000 0.192 837 E C 2.062 178.640 176.600 -0.036 0.000 0.984 837 E CA 1.096 57.319 56.400 -0.294 0.000 0.806 837 E CB -0.258 28.943 29.700 -0.832 0.000 0.750 837 E HN 0.420 nan 8.360 nan 0.000 0.458 838 L N 1.845 123.114 121.223 0.077 0.000 2.017 838 L HA -0.176 3.934 4.340 -0.384 0.000 0.208 838 L C 1.900 178.874 176.870 0.172 0.000 1.073 838 L CA 2.036 56.981 54.840 0.175 0.000 0.745 838 L CB -0.661 41.540 42.059 0.236 0.000 0.894 838 L HN -0.054 nan 8.230 nan 0.000 0.432 839 D N -0.749 119.731 120.400 0.135 0.000 2.144 839 D HA -0.232 4.178 4.640 -0.384 0.000 0.199 839 D C 2.358 178.658 176.300 0.000 0.000 0.984 839 D CA 1.110 55.120 54.000 0.017 0.000 0.834 839 D CB -0.075 40.582 40.800 -0.239 0.000 0.955 839 D HN 0.332 nan 8.370 nan 0.000 0.465 840 R N 0.426 120.917 120.500 -0.015 0.000 2.070 840 R HA -0.123 3.987 4.340 -0.384 0.000 0.232 840 R C 2.638 178.955 176.300 0.028 0.000 1.138 840 R CA 1.762 57.853 56.100 -0.016 0.000 0.936 840 R CB -0.588 29.683 30.300 -0.048 0.000 0.839 840 R HN 0.407 nan 8.270 nan 0.000 0.429 841 I N -1.087 119.521 120.570 0.063 0.000 2.700 841 I HA -0.168 3.772 4.170 -0.384 0.000 0.261 841 I C 1.593 177.762 176.117 0.087 0.000 1.219 841 I CA 0.982 62.334 61.300 0.086 0.000 1.463 841 I CB -0.182 37.891 38.000 0.121 0.000 1.092 841 I HN 0.115 nan 8.210 nan 0.000 0.452 842 I N 2.118 122.744 120.570 0.093 0.000 2.252 842 I HA -0.038 3.902 4.170 -0.384 0.000 0.245 842 I C 2.098 178.257 176.117 0.070 0.000 1.102 842 I CA 0.934 62.295 61.300 0.101 0.000 1.385 842 I CB -1.498 36.584 38.000 0.136 0.000 1.064 842 I HN 0.362 nan 8.210 nan 0.000 0.414 851 S N -0.268 115.452 115.700 0.034 0.000 2.355 851 S HA 0.066 4.306 4.470 -0.384 0.000 0.216 851 S C 2.296 176.937 174.600 0.068 0.000 1.037 851 S CA 1.709 59.937 58.200 0.047 0.000 0.955 851 S CB -0.959 62.266 63.200 0.042 0.000 0.877 851 S HN 0.749 nan 8.310 nan 0.000 0.488 852 C N 1.815 121.152 119.300 0.063 0.000 2.413 852 C HA -0.009 4.221 4.460 -0.384 0.000 0.277 852 C C 3.052 178.115 174.990 0.122 0.000 1.265 852 C CA 1.176 60.242 59.018 0.081 0.000 1.752 852 C CB -1.646 26.121 27.740 0.044 0.000 1.998 852 C HN 0.616 nan 8.230 nan 0.000 0.489 853 S N 0.308 116.067 115.700 0.098 0.000 2.368 853 S HA -0.144 4.095 4.470 -0.384 0.000 0.225 853 S C 2.481 177.198 174.600 0.194 0.000 1.030 853 S CA 1.928 60.210 58.200 0.135 0.000 0.999 853 S CB -0.472 62.774 63.200 0.076 0.000 0.844 853 S HN 0.799 nan 8.310 nan 0.000 0.459 854 R N 1.618 122.198 120.500 0.133 0.000 2.073 854 R HA 0.066 4.176 4.340 -0.384 0.000 0.234 854 R C 2.149 178.569 176.300 0.200 0.000 1.134 854 R CA 1.964 58.148 56.100 0.140 0.000 0.952 854 R CB -1.197 29.151 30.300 0.080 0.000 0.850 854 R HN 0.300 nan 8.270 nan 0.000 0.433 855 R N -0.284 120.318 120.500 0.170 0.000 2.080 855 R HA -0.036 4.074 4.340 -0.384 0.000 0.236 855 R C 1.998 178.404 176.300 0.178 0.000 1.137 855 R CA 2.021 58.216 56.100 0.159 0.000 0.943 855 R CB -1.192 29.194 30.300 0.143 0.000 0.846 855 R HN 0.523 nan 8.270 nan 0.000 0.431 856 F N -0.064 119.929 119.950 0.072 0.000 2.126 856 F HA -0.219 4.080 4.527 -0.381 0.000 0.299 856 F C 2.007 177.833 175.800 0.044 0.000 1.096 856 F CA 1.838 59.855 58.000 0.029 0.000 1.255 856 F CB -0.778 38.234 39.000 0.020 0.000 0.997 856 F HN 0.203 nan 8.300 nan 0.000 0.479 857 Y N 1.149 121.500 120.300 0.084 0.000 2.165 857 Y HA -0.282 4.033 4.550 -0.392 0.000 0.286 857 Y C 2.410 178.271 175.900 -0.066 0.000 1.155 857 Y CA 2.275 60.396 58.100 0.034 0.000 1.164 857 Y CB -0.617 37.895 38.460 0.087 0.000 0.978 857 Y HN 0.239 nan 8.280 nan 0.000 0.513 858 Q N -0.241 119.564 119.800 0.009 0.000 2.079 858 Q HA -0.135 3.975 4.340 -0.384 0.000 0.200 858 Q C 2.310 178.223 176.000 -0.145 0.000 0.974 858 Q CA 1.740 57.503 55.803 -0.067 0.000 0.840 858 Q CB -0.172 28.602 28.738 0.062 0.000 0.898 858 Q HN 0.503 nan 8.270 nan 0.000 0.430 859 L N 0.545 121.678 121.223 -0.150 0.000 2.056 859 L HA -0.141 3.969 4.340 -0.384 0.000 0.207 859 L C 2.727 179.427 176.870 -0.283 0.000 1.078 859 L CA 1.613 56.360 54.840 -0.155 0.000 0.749 859 L CB -1.096 40.894 42.059 -0.115 0.000 0.901 859 L HN 0.413 nan 8.230 nan 0.000 0.433 860 T N -3.224 111.005 114.554 -0.543 0.000 2.867 860 T HA -0.137 3.982 4.350 -0.384 0.000 0.268 860 T C 1.959 176.568 174.700 -0.150 0.000 1.057 860 T CA 0.607 62.325 62.100 -0.637 0.000 1.136 860 T CB -0.119 68.041 68.868 -1.180 0.000 0.874 860 T HN 0.063 nan 8.240 nan 0.000 0.466 861 K N 0.768 121.033 120.400 -0.226 0.000 2.057 861 K HA 0.119 4.209 4.320 -0.384 0.000 0.206 861 K C 2.237 178.800 176.600 -0.062 0.000 1.050 861 K CA 0.761 56.925 56.287 -0.205 0.000 0.935 861 K CB -0.833 31.392 32.500 -0.459 0.000 0.715 861 K HN 0.345 nan 8.250 nan 0.000 0.439 862 L N 1.371 122.551 121.223 -0.073 0.000 2.046 862 L HA -0.114 3.996 4.340 -0.384 0.000 0.208 862 L C 2.134 179.017 176.870 0.022 0.000 1.077 862 L CA 1.366 56.196 54.840 -0.016 0.000 0.747 862 L CB -0.492 41.559 42.059 -0.014 0.000 0.896 862 L HN 0.072 nan 8.230 nan 0.000 0.432 863 L N -0.679 120.543 121.223 -0.002 0.000 2.012 863 L HA -0.259 3.851 4.340 -0.384 0.000 0.210 863 L C 2.259 179.149 176.870 0.033 0.000 1.073 863 L CA 1.545 56.372 54.840 -0.022 0.000 0.748 863 L CB -0.814 41.266 42.059 0.034 0.000 0.891 863 L HN 0.282 nan 8.230 nan 0.000 0.431 864 D N -0.441 120.045 120.400 0.144 0.000 2.149 864 D HA -0.182 4.228 4.640 -0.384 0.000 0.198 864 D C 2.361 178.786 176.300 0.208 0.000 0.990 864 D CA 1.651 55.788 54.000 0.228 0.000 0.839 864 D CB -0.166 40.899 40.800 0.442 0.000 0.948 864 D HN 0.343 nan 8.370 nan 0.000 0.460 865 S N -0.319 115.465 115.700 0.140 0.000 2.469 865 S HA -0.107 4.132 4.470 -0.384 0.000 0.238 865 S C 2.062 176.717 174.600 0.090 0.000 0.998 865 S CA 0.671 58.942 58.200 0.120 0.000 0.957 865 S CB -0.417 62.837 63.200 0.090 0.000 0.764 865 S HN 0.099 nan 8.310 nan 0.000 0.514 866 V N 1.641 121.588 119.914 0.055 0.000 2.427 866 V HA -0.124 3.766 4.120 -0.384 0.000 0.248 866 V C 2.973 179.063 176.094 -0.006 0.000 1.051 866 V CA 1.630 63.950 62.300 0.033 0.000 1.048 866 V CB -0.781 31.040 31.823 -0.003 0.000 0.666 866 V HN 0.449 nan 8.190 nan 0.000 0.456 867 Q N -0.337 119.441 119.800 -0.037 0.000 2.061 867 Q HA -0.176 3.933 4.340 -0.384 0.000 0.204 867 Q C 0.368 176.391 176.000 0.039 0.000 0.984 867 Q CA 2.149 57.914 55.803 -0.064 0.000 0.846 867 Q CB -2.039 26.535 28.738 -0.274 0.000 0.902 867 Q HN 0.505 nan 8.270 nan 0.000 0.421 868 P HA -0.090 nan 4.420 nan 0.000 0.217 868 P C 1.438 178.765 177.300 0.044 0.000 1.150 868 P CA 1.013 64.174 63.100 0.102 0.000 0.832 868 P CB -0.140 31.625 31.700 0.109 0.000 0.787 869 I N -0.708 119.877 120.570 0.024 0.000 2.226 869 I HA -0.240 3.699 4.170 -0.384 0.000 0.245 869 I C 2.313 178.390 176.117 -0.068 0.000 1.100 869 I CA 1.475 62.771 61.300 -0.007 0.000 1.374 869 I CB -0.873 37.129 38.000 0.003 0.000 1.057 869 I HN -0.087 nan 8.210 nan 0.000 0.413 870 A N 0.747 123.498 122.820 -0.115 0.000 1.933 870 A HA -0.237 3.853 4.320 -0.384 0.000 0.218 870 A C 2.469 179.850 177.584 -0.338 0.000 1.175 870 A CA 1.635 53.492 52.037 -0.300 0.000 0.628 870 A CB -0.641 18.180 19.000 -0.298 0.000 0.814 870 A HN 0.342 nan 8.150 nan 0.000 0.444 871 R N -0.257 120.202 120.500 -0.067 0.000 2.092 871 R HA -0.134 3.975 4.340 -0.384 0.000 0.231 871 R C 1.978 178.326 176.300 0.079 0.000 1.119 871 R CA 1.629 57.778 56.100 0.082 0.000 0.970 871 R CB -0.246 30.115 30.300 0.101 0.000 0.864 871 R HN 0.683 nan 8.270 nan 0.000 0.440 872 E N 0.227 120.454 120.200 0.045 0.000 2.110 872 E HA -0.177 3.943 4.350 -0.384 0.000 0.193 872 E C 1.986 178.658 176.600 0.119 0.000 0.988 872 E CA 1.150 57.602 56.400 0.088 0.000 0.804 872 E CB 0.012 29.750 29.700 0.063 0.000 0.745 872 E HN 0.366 nan 8.360 nan 0.000 0.458 873 L N -0.440 120.793 121.223 0.015 0.000 2.240 873 L HA -0.119 3.990 4.340 -0.384 0.000 0.211 873 L C 2.112 179.066 176.870 0.141 0.000 1.106 873 L CA 0.894 55.752 54.840 0.030 0.000 0.793 873 L CB -0.331 41.657 42.059 -0.118 0.000 0.927 873 L HN 0.209 nan 8.230 nan 0.000 0.446 874 H N -1.200 117.922 119.070 0.088 0.000 2.326 874 H HA -0.209 4.118 4.556 -0.382 0.000 0.301 874 H C 2.328 177.777 175.328 0.201 0.000 1.081 874 H CA 1.179 57.286 56.048 0.098 0.000 1.334 874 H CB 0.281 30.047 29.762 0.006 0.000 1.385 874 H HN 0.174 nan 8.280 nan 0.000 0.504 875 Q N 0.466 120.455 119.800 0.315 0.000 2.050 875 Q HA -0.167 3.942 4.340 -0.384 0.000 0.202 875 Q C 2.000 178.210 176.000 0.350 0.000 0.980 875 Q CA 1.583 57.559 55.803 0.288 0.000 0.840 875 Q CB -0.460 28.404 28.738 0.209 0.000 0.898 875 Q HN 0.446 nan 8.270 nan 0.000 0.424 876 F N -0.073 119.999 119.950 0.203 0.000 2.102 876 F HA -0.156 4.142 4.527 -0.382 0.000 0.298 876 F C 2.331 178.275 175.800 0.240 0.000 1.105 876 F CA 2.009 60.127 58.000 0.196 0.000 1.239 876 F CB -0.835 38.259 39.000 0.156 0.000 0.991 876 F HN 0.140 nan 8.300 nan 0.000 0.474 877 T N -0.352 114.547 114.554 0.575 0.000 2.867 877 T HA -0.201 3.919 4.350 -0.384 0.000 0.268 877 T C 1.827 176.740 174.700 0.355 0.000 1.057 877 T CA 1.418 63.838 62.100 0.533 0.000 1.136 877 T CB -0.689 68.513 68.868 0.557 0.000 0.874 877 T HN 0.326 nan 8.240 nan 0.000 0.466 878 F N 2.272 122.333 119.950 0.185 0.000 2.075 878 F HA -0.052 4.245 4.527 -0.384 0.000 0.297 878 F C 2.046 177.851 175.800 0.009 0.000 1.113 878 F CA 1.791 59.837 58.000 0.075 0.000 1.218 878 F CB -0.534 38.511 39.000 0.075 0.000 0.984 878 F HN 0.126 nan 8.300 nan 0.000 0.472 879 D N 0.604 120.968 120.400 -0.060 0.000 2.123 879 D HA -0.195 4.215 4.640 -0.384 0.000 0.196 879 D C 2.281 178.448 176.300 -0.222 0.000 0.992 879 D CA 1.495 55.368 54.000 -0.211 0.000 0.833 879 D CB -0.718 40.027 40.800 -0.092 0.000 0.954 879 D HN 0.330 nan 8.370 nan 0.000 0.455 880 L N 0.804 121.951 121.223 -0.127 0.000 2.083 880 L HA -0.105 4.005 4.340 -0.384 0.000 0.209 880 L C 2.099 178.993 176.870 0.040 0.000 1.083 880 L CA 1.158 56.014 54.840 0.027 0.000 0.752 880 L CB -0.652 41.535 42.059 0.215 0.000 0.899 880 L HN -0.006 nan 8.230 nan 0.000 0.433 881 L N -0.771 120.318 121.223 -0.223 0.000 2.056 881 L HA -0.154 3.956 4.340 -0.384 0.000 0.207 881 L C 2.289 178.908 176.870 -0.419 0.000 1.078 881 L CA 1.665 56.087 54.840 -0.697 0.000 0.749 881 L CB -0.647 40.906 42.059 -0.845 0.000 0.901 881 L HN 0.207 nan 8.230 nan 0.000 0.433 882 I N 0.581 120.894 120.570 -0.428 0.000 2.361 882 I HA -0.238 3.702 4.170 -0.384 0.000 0.251 882 I C 2.004 178.007 176.117 -0.190 0.000 1.133 882 I CA 1.651 62.740 61.300 -0.352 0.000 1.413 882 I CB -1.168 36.552 38.000 -0.467 0.000 1.073 882 I HN 0.560 nan 8.210 nan 0.000 0.424 883 K N 0.211 120.531 120.400 -0.133 0.000 2.455 883 K HA 0.175 4.265 4.320 -0.384 0.000 0.206 883 K C 1.533 178.145 176.600 0.020 0.000 1.027 883 K CA 0.397 56.654 56.287 -0.050 0.000 1.113 883 K CB 0.065 32.540 32.500 -0.041 0.000 0.850 883 K HN 0.098 nan 8.250 nan 0.000 0.503 884 S N 0.192 115.914 115.700 0.038 0.000 2.387 884 S HA -0.333 3.907 4.470 -0.384 0.000 0.230 884 S C 2.239 176.901 174.600 0.103 0.000 1.035 884 S CA 1.706 59.995 58.200 0.148 0.000 1.014 884 S CB -1.226 62.114 63.200 0.233 0.000 0.836 884 S HN 0.703 nan 8.310 nan 0.000 0.466 885 H N 1.320 120.421 119.070 0.052 0.000 2.293 885 H HA 0.096 4.422 4.556 -0.384 0.000 0.300 885 H C 2.107 177.462 175.328 0.044 0.000 1.082 885 H CA 2.187 58.259 56.048 0.041 0.000 1.308 885 H CB -0.956 28.816 29.762 0.016 0.000 1.375 885 H HN 0.539 nan 8.280 nan 0.000 0.495 886 M N 2.006 121.629 119.600 0.038 0.000 2.108 886 M HA -0.095 4.155 4.480 -0.384 0.000 0.261 886 M C 2.109 178.448 176.300 0.064 0.000 1.066 886 M CA 2.588 57.911 55.300 0.038 0.000 1.107 886 M CB -0.541 32.073 32.600 0.023 0.000 1.356 886 M HN 0.557 nan 8.290 nan 0.000 0.406 887 V N -3.004 116.971 119.914 0.103 0.000 3.596 887 V HA 0.367 4.257 4.120 -0.384 0.000 0.289 887 V C 0.623 176.801 176.094 0.141 0.000 1.336 887 V CA 0.254 62.652 62.300 0.163 0.000 1.137 887 V CB -1.492 30.517 31.823 0.310 0.000 0.966 887 V HN 0.558 nan 8.190 nan 0.000 0.428 888 S N -0.524 115.230 115.700 0.089 0.000 3.706 888 S HA -0.125 4.115 4.470 -0.384 0.000 0.363 888 S C 0.081 174.696 174.600 0.026 0.000 0.999 888 S CA 0.741 58.975 58.200 0.057 0.000 1.143 888 S CB -1.763 61.467 63.200 0.050 0.000 0.902 888 S HN 0.743 nan 8.310 nan 0.000 0.476 889 V N 2.001 121.936 119.914 0.035 0.000 2.384 889 V HA 0.348 4.238 4.120 -0.384 0.000 0.287 889 V C 0.238 176.339 176.094 0.012 0.000 1.020 889 V CA -0.805 61.465 62.300 -0.050 0.000 0.850 889 V CB 1.729 33.504 31.823 -0.079 0.000 0.987 889 V HN 0.360 nan 8.190 nan 0.000 0.436 890 D N 4.329 124.682 120.400 -0.079 0.000 2.198 890 D HA 0.424 4.833 4.640 -0.384 0.000 0.245 890 D C -0.834 175.397 176.300 -0.115 0.000 1.079 890 D CA 0.053 54.046 54.000 -0.012 0.000 0.854 890 D CB 1.849 42.635 40.800 -0.023 0.000 1.148 890 D HN 0.254 nan 8.370 nan 0.000 0.456 891 F N 2.904 122.844 119.950 -0.018 0.000 2.444 891 F HA 0.291 4.587 4.527 -0.384 0.000 0.342 891 F C -1.456 174.332 175.800 -0.019 0.000 1.121 891 F CA -1.747 56.245 58.000 -0.014 0.000 0.997 891 F CB 1.425 40.423 39.000 -0.002 0.000 1.130 891 F HN 0.078 nan 8.300 nan 0.000 0.454 892 P HA 0.235 nan 4.420 nan 0.000 0.275 892 P C 0.526 177.866 177.300 0.066 0.000 1.266 892 P CA 0.115 63.249 63.100 0.057 0.000 0.793 892 P CB 0.487 32.191 31.700 0.006 0.000 1.074 893 E N 0.294 120.511 120.200 0.029 0.000 2.026 893 E HA -0.298 3.822 4.350 -0.384 0.000 0.206 893 E C 2.350 178.952 176.600 0.002 0.000 1.028 893 E CA 3.664 60.073 56.400 0.016 0.000 0.845 893 E CB -1.807 27.894 29.700 0.002 0.000 0.772 893 E HN 0.553 nan 8.360 nan 0.000 0.462 894 M N 0.108 119.693 119.600 -0.025 0.000 2.108 894 M HA 0.009 4.258 4.480 -0.384 0.000 0.261 894 M C 2.675 178.931 176.300 -0.074 0.000 1.066 894 M CA 2.863 58.128 55.300 -0.060 0.000 1.107 894 M CB -1.124 31.419 32.600 -0.095 0.000 1.356 894 M HN 0.484 nan 8.290 nan 0.000 0.406 895 M N 0.428 119.996 119.600 -0.053 0.000 2.086 895 M HA -0.063 4.187 4.480 -0.384 0.000 0.261 895 M C 2.621 178.972 176.300 0.085 0.000 1.067 895 M CA 2.050 57.344 55.300 -0.010 0.000 1.116 895 M CB -1.580 31.079 32.600 0.099 0.000 1.348 895 M HN 0.628 nan 8.290 nan 0.000 0.407 896 A N -0.105 122.771 122.820 0.094 0.000 1.883 896 A HA -0.227 3.863 4.320 -0.384 0.000 0.217 896 A C 2.146 179.728 177.584 -0.003 0.000 1.186 896 A CA 2.135 54.176 52.037 0.007 0.000 0.624 896 A CB -0.865 18.140 19.000 0.007 0.000 0.822 896 A HN 0.629 nan 8.150 nan 0.000 0.444 897 E N -0.305 119.900 120.200 0.008 0.000 2.047 897 E HA -0.155 3.965 4.350 -0.384 0.000 0.191 897 E C 1.924 178.546 176.600 0.036 0.000 0.987 897 E CA 1.230 57.638 56.400 0.012 0.000 0.799 897 E CB -0.214 29.487 29.700 0.002 0.000 0.752 897 E HN 0.656 nan 8.360 nan 0.000 0.449 898 I N 0.905 121.495 120.570 0.034 0.000 2.252 898 I HA -0.250 3.690 4.170 -0.384 0.000 0.245 898 I C 2.313 178.541 176.117 0.186 0.000 1.102 898 I CA 0.891 62.242 61.300 0.085 0.000 1.385 898 I CB -0.131 37.877 38.000 0.013 0.000 1.064 898 I HN 0.219 nan 8.210 nan 0.000 0.414 899 I N 0.371 121.057 120.570 0.194 0.000 2.493 899 I HA -0.211 3.728 4.170 -0.384 0.000 0.254 899 I C 2.472 178.718 176.117 0.215 0.000 1.160 899 I CA 1.384 62.839 61.300 0.259 0.000 1.445 899 I CB -0.273 37.869 38.000 0.238 0.000 1.086 899 I HN 0.292 nan 8.210 nan 0.000 0.433 900 S N -0.725 115.052 115.700 0.129 0.000 2.503 900 S HA 0.090 4.329 4.470 -0.384 0.000 0.217 900 S C 1.586 176.256 174.600 0.116 0.000 0.999 900 S CA 0.075 58.353 58.200 0.131 0.000 0.914 900 S CB 0.133 63.361 63.200 0.047 0.000 0.782 900 S HN 0.196 nan 8.310 nan 0.000 0.520 901 V N 0.874 120.848 119.914 0.099 0.000 2.743 901 V HA 0.103 3.993 4.120 -0.384 0.000 0.237 901 V C 2.578 178.732 176.094 0.099 0.000 1.113 901 V CA 0.613 62.961 62.300 0.081 0.000 1.141 901 V CB -0.275 31.584 31.823 0.060 0.000 0.873 901 V HN 0.300 nan 8.190 nan 0.000 0.486 902 Q N 0.146 120.027 119.800 0.136 0.000 2.061 902 Q HA 0.025 4.135 4.340 -0.384 0.000 0.195 902 Q C 2.380 178.470 176.000 0.150 0.000 0.967 902 Q CA 1.248 57.173 55.803 0.203 0.000 0.829 902 Q CB -0.772 28.104 28.738 0.230 0.000 0.900 902 Q HN 0.460 nan 8.270 nan 0.000 0.450 903 V N 2.274 122.262 119.914 0.123 0.000 2.324 903 V HA -0.219 3.671 4.120 -0.384 0.000 0.250 903 V C -0.699 175.309 176.094 -0.143 0.000 1.060 903 V CA 2.154 64.436 62.300 -0.030 0.000 1.042 903 V CB -1.749 30.142 31.823 0.112 0.000 0.650 903 V HN 0.222 nan 8.190 nan 0.000 0.450 904 P HA -0.135 nan 4.420 nan 0.000 0.218 904 P C 1.580 178.770 177.300 -0.183 0.000 1.149 904 P CA 1.312 64.261 63.100 -0.253 0.000 0.817 904 P CB -0.070 31.544 31.700 -0.144 0.000 0.785 905 K N -0.784 119.553 120.400 -0.105 0.000 2.147 905 K HA -0.089 4.000 4.320 -0.384 0.000 0.205 905 K C 1.982 178.474 176.600 -0.181 0.000 1.049 905 K CA 1.151 57.370 56.287 -0.112 0.000 0.936 905 K CB -0.490 31.976 32.500 -0.058 0.000 0.722 905 K HN 0.215 nan 8.250 nan 0.000 0.446 906 I N 0.848 121.289 120.570 -0.215 0.000 2.277 906 I HA -0.225 3.715 4.170 -0.384 0.000 0.243 906 I C 2.056 178.061 176.117 -0.187 0.000 1.094 906 I CA 1.011 62.164 61.300 -0.245 0.000 1.393 906 I CB -0.181 37.617 38.000 -0.337 0.000 1.078 906 I HN 0.080 nan 8.210 nan 0.000 0.417 907 L N 0.487 121.585 121.223 -0.208 0.000 2.201 907 L HA -0.127 3.983 4.340 -0.384 0.000 0.212 907 L C 2.423 179.199 176.870 -0.157 0.000 1.105 907 L CA 1.279 56.010 54.840 -0.183 0.000 0.775 907 L CB -0.578 41.309 42.059 -0.287 0.000 0.913 907 L HN 0.340 nan 8.230 nan 0.000 0.440 908 S N -0.895 114.708 115.700 -0.162 0.000 2.593 908 S HA 0.188 4.428 4.470 -0.384 0.000 0.217 908 S C 1.509 176.051 174.600 -0.096 0.000 0.966 908 S CA 0.302 58.430 58.200 -0.120 0.000 0.914 908 S CB 0.393 63.525 63.200 -0.114 0.000 0.776 908 S HN 0.526 nan 8.310 nan 0.000 0.523 909 G N 1.566 110.304 108.800 -0.104 0.000 2.159 909 G HA2 -0.293 3.437 3.960 -0.384 0.000 0.256 909 G HA3 -0.293 3.437 3.960 -0.384 0.000 0.256 909 G C 0.771 175.608 174.900 -0.104 0.000 0.977 909 G CA 0.520 45.566 45.100 -0.090 0.000 0.652 909 G HN 0.537 nan 8.290 nan 0.000 0.531 910 K N -0.875 119.450 120.400 -0.125 0.000 2.167 910 K HA 0.273 4.362 4.320 -0.384 0.000 0.203 910 K C 0.770 177.258 176.600 -0.188 0.000 1.052 910 K CA 1.151 57.359 56.287 -0.131 0.000 0.956 910 K CB 0.391 32.820 32.500 -0.118 0.000 0.735 910 K HN 0.310 nan 8.250 nan 0.000 0.451 911 V N 1.977 121.739 119.914 -0.252 0.000 2.487 911 V HA 0.261 4.151 4.120 -0.384 0.000 0.298 911 V C -0.653 175.284 176.094 -0.262 0.000 1.028 911 V CA -0.819 61.259 62.300 -0.370 0.000 0.860 911 V CB 1.731 33.140 31.823 -0.690 0.000 0.991 911 V HN 0.070 nan 8.190 nan 0.000 0.427 912 K N 5.480 125.754 120.400 -0.210 0.000 2.435 912 K HA 0.597 4.687 4.320 -0.384 0.000 0.251 912 K C -2.837 173.693 176.600 -0.117 0.000 0.954 912 K CA -1.834 54.380 56.287 -0.123 0.000 0.820 912 K CB 3.004 35.465 32.500 -0.065 0.000 1.292 912 K HN 0.371 nan 8.250 nan 0.000 0.436 913 P HA 0.218 nan 4.420 nan 0.000 0.276 913 P C -0.639 176.556 177.300 -0.176 0.000 1.244 913 P CA -0.216 62.777 63.100 -0.179 0.000 0.801 913 P CB 0.744 32.264 31.700 -0.300 0.000 1.006 914 I N 2.127 122.568 120.570 -0.216 0.000 2.312 914 I HA 0.248 4.188 4.170 -0.384 0.000 0.290 914 I C 0.108 176.041 176.117 -0.306 0.000 1.008 914 I CA -0.645 60.551 61.300 -0.173 0.000 1.226 914 I CB 0.176 38.102 38.000 -0.123 0.000 1.371 914 I HN 0.278 nan 8.210 nan 0.000 0.468 915 Y N 4.623 124.835 120.300 -0.148 0.000 2.419 915 Y HA 0.298 4.616 4.550 -0.386 0.000 0.328 915 Y C 0.557 176.324 175.900 -0.222 0.000 1.162 915 Y CA -0.268 57.754 58.100 -0.129 0.000 1.174 915 Y CB 1.284 39.732 38.460 -0.019 0.000 1.228 915 Y HN 0.401 nan 8.280 nan 0.000 0.473 916 F N -0.746 119.257 119.950 0.089 0.000 2.188 916 F HA -0.008 4.289 4.527 -0.383 0.000 0.289 916 F C 1.007 176.647 175.800 -0.266 0.000 1.082 916 F CA 0.818 58.728 58.000 -0.149 0.000 1.282 916 F CB 0.049 38.851 39.000 -0.330 0.000 1.060 916 F HN 0.403 nan 8.300 nan 0.000 0.493 917 H N -0.177 119.055 119.070 0.270 0.000 2.479 917 H HA 0.259 4.589 4.556 -0.378 0.000 0.335 917 H C 0.194 175.562 175.328 0.068 0.000 1.142 917 H CA -0.377 55.759 56.048 0.147 0.000 1.234 917 H CB 0.932 30.744 29.762 0.083 0.000 1.503 917 H HN -0.045 nan 8.280 nan 0.000 0.510 918 T N 1.581 116.220 114.554 0.142 0.000 2.867 918 T HA 0.064 4.184 4.350 -0.384 0.000 0.297 918 T C 0.518 175.196 174.700 -0.037 0.000 0.989 918 T CA -0.868 61.253 62.100 0.035 0.000 1.159 918 T CB 0.749 69.642 68.868 0.042 0.000 0.928 918 T HN 0.385 nan 8.240 nan 0.000 0.538 919 Q N 0.000 119.699 119.800 -0.168 0.000 2.315 919 Q HA 0.000 4.110 4.340 -0.384 0.000 0.214 919 Q CA 0.000 55.664 55.803 -0.232 0.000 1.022 919 Q CB 0.000 28.442 28.738 -0.494 0.000 1.108 919 Q HN 0.000 nan 8.270 nan 0.000 0.481