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 3gop_1_A DATA FIRST_RESID 652 DATA SEQUENCE KRTLRRLLQE RELVEPLTPS GEAPNQALLR ILKETEFKKI KVLGXXXXGT DATA SEQUENCE VYKGLWIPEG EXVKIPVAIM ELXXXXXXKA NKEILDEAYV MASVDNPHVC DATA SEQUENCE RLLGICLTST VQLITQLMPF GCLLDYVREH KDNIGSQYLL NWCVQIAKGM DATA SEQUENCE NYLEDRRLVH RDLAARNVLV KTPQHVKITD FGXXXXXXXX XXXXXXXXXX DATA SEQUENCE VPIKWMALES ILHRIYTHQS DVWSYGVTVW ELMTFGSKPY DGIPASEISS DATA SEQUENCE ILEKGERLPQ PPICTIDVYM IMVKCWMIDA DSRPKFRELI IEFSKMARDP DATA SEQUENCE QRYLVIQGDE XXXXXXXXDS NFYRALMXXX XXXDVVDADE YLI 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 652 K HA 0.000 nan 4.320 nan 0.000 0.191 652 K C 0.000 176.601 176.600 0.001 0.000 0.988 652 K CA 0.000 56.288 56.287 0.001 0.000 0.838 652 K CB 0.000 32.501 32.500 0.001 0.000 1.064 653 R N 3.271 123.771 120.500 0.001 0.000 2.419 653 R HA 0.289 4.631 4.340 0.004 0.000 0.305 653 R C -0.024 176.277 176.300 0.001 0.000 1.242 653 R CA 0.308 56.409 56.100 0.001 0.000 1.105 653 R CB 0.005 30.305 30.300 0.002 0.000 1.116 653 R HN 0.792 nan 8.270 nan 0.000 0.523 654 T N -0.852 113.703 114.554 0.001 0.000 2.802 654 T HA 0.055 4.407 4.350 0.004 0.000 0.305 654 T C 1.580 176.281 174.700 0.001 0.000 1.053 654 T CA -0.719 61.382 62.100 0.001 0.000 1.058 654 T CB 0.746 69.615 68.868 0.001 0.000 0.988 654 T HN 0.219 nan 8.240 nan 0.000 0.539 655 L N 0.383 121.607 121.223 0.001 0.000 2.083 655 L HA 0.081 4.423 4.340 0.004 0.000 0.209 655 L C 2.990 179.861 176.870 0.001 0.000 1.083 655 L CA 1.542 56.382 54.840 0.001 0.000 0.752 655 L CB -1.122 40.937 42.059 0.001 0.000 0.899 655 L HN 0.643 nan 8.230 nan 0.000 0.433 656 R N -0.379 120.122 120.500 0.001 0.000 2.083 656 R HA -0.168 4.174 4.340 0.004 0.000 0.237 656 R C 2.687 178.987 176.300 0.001 0.000 1.137 656 R CA 1.958 58.059 56.100 0.001 0.000 0.951 656 R CB -0.526 29.775 30.300 0.001 0.000 0.851 656 R HN 0.382 nan 8.270 nan 0.000 0.434 657 R N 0.733 121.233 120.500 0.001 0.000 2.115 657 R HA 0.009 4.351 4.340 0.004 0.000 0.230 657 R C 2.220 178.521 176.300 0.001 0.000 1.111 657 R CA 1.558 57.659 56.100 0.001 0.000 0.976 657 R CB -1.371 28.929 30.300 0.001 0.000 0.870 657 R HN 0.251 nan 8.270 nan 0.000 0.445 658 L N -0.222 121.002 121.223 0.001 0.000 2.083 658 L HA -0.111 4.232 4.340 0.004 0.000 0.209 658 L C 2.632 179.503 176.870 0.001 0.000 1.083 658 L CA 1.084 55.924 54.840 0.001 0.000 0.752 658 L CB -0.322 41.738 42.059 0.001 0.000 0.899 658 L HN 0.352 nan 8.230 nan 0.000 0.433 659 L N -0.136 121.088 121.223 0.001 0.000 2.017 659 L HA -0.266 4.076 4.340 0.004 0.000 0.208 659 L C 2.543 179.414 176.870 0.001 0.000 1.073 659 L CA 1.800 56.640 54.840 0.001 0.000 0.745 659 L CB -0.620 41.440 42.059 0.001 0.000 0.894 659 L HN 0.247 nan 8.230 nan 0.000 0.432 660 Q N -0.497 119.303 119.800 0.001 0.000 2.077 660 Q HA -0.287 4.056 4.340 0.004 0.000 0.206 660 Q C 1.872 177.872 176.000 0.001 0.000 0.989 660 Q CA 2.165 57.969 55.803 0.001 0.000 0.853 660 Q CB -0.319 28.420 28.738 0.001 0.000 0.907 660 Q HN 0.760 nan 8.270 nan 0.000 0.418 661 E N 0.273 120.474 120.200 0.001 0.000 2.516 661 E HA -0.147 4.205 4.350 0.004 0.000 0.199 661 E C 1.843 178.444 176.600 0.002 0.000 1.069 661 E CA 0.171 56.572 56.400 0.002 0.000 0.876 661 E CB -0.020 29.681 29.700 0.002 0.000 0.843 661 E HN 0.110 nan 8.360 nan 0.000 0.530 662 R N 0.862 121.363 120.500 0.001 0.000 2.148 662 R HA -0.081 4.262 4.340 0.004 0.000 0.223 662 R C 1.048 177.349 176.300 0.001 0.000 1.088 662 R CA 0.941 57.042 56.100 0.001 0.000 0.985 662 R CB 0.123 30.424 30.300 0.001 0.000 0.880 662 R HN 0.200 nan 8.270 nan 0.000 0.451 663 E N 0.374 120.575 120.200 0.001 0.000 2.418 663 E HA -0.086 4.266 4.350 0.004 0.000 0.197 663 E C 1.720 178.321 176.600 0.001 0.000 1.026 663 E CA 0.642 57.043 56.400 0.001 0.000 0.862 663 E CB 0.126 29.826 29.700 0.001 0.000 0.799 663 E HN 0.400 nan 8.360 nan 0.000 0.518 664 L N -0.931 120.293 121.223 0.002 0.000 2.577 664 L HA 0.151 4.493 4.340 0.004 0.000 0.225 664 L C 0.354 177.225 176.870 0.002 0.000 1.053 664 L CA 0.117 54.958 54.840 0.002 0.000 0.866 664 L CB 0.715 42.775 42.059 0.002 0.000 1.132 664 L HN -0.229 nan 8.230 nan 0.000 0.486 665 V N 0.676 120.591 119.914 0.002 0.000 2.407 665 V HA 0.280 4.402 4.120 0.004 0.000 0.291 665 V C -0.141 175.955 176.094 0.003 0.000 1.018 665 V CA -0.914 61.387 62.300 0.003 0.000 0.842 665 V CB 1.546 33.371 31.823 0.003 0.000 0.996 665 V HN 0.036 nan 8.190 nan 0.000 0.426 666 E N 5.054 125.255 120.200 0.003 0.000 2.452 666 E HA 0.156 4.508 4.350 0.004 0.000 0.261 666 E C -2.229 174.372 176.600 0.003 0.000 0.987 666 E CA -1.348 55.053 56.400 0.003 0.000 0.926 666 E CB 0.625 30.327 29.700 0.003 0.000 0.934 666 E HN 0.443 nan 8.360 nan 0.000 0.452 667 P HA 0.037 nan 4.420 nan 0.000 0.265 667 P C -0.193 177.109 177.300 0.003 0.000 1.193 667 P CA 0.135 63.237 63.100 0.003 0.000 0.765 667 P CB 0.380 32.081 31.700 0.002 0.000 0.823 668 L N 3.419 124.644 121.223 0.004 0.000 2.361 668 L HA 0.197 4.539 4.340 0.004 0.000 0.278 668 L C 0.208 177.081 176.870 0.004 0.000 1.113 668 L CA 0.512 55.354 54.840 0.004 0.000 0.849 668 L CB 0.162 42.224 42.059 0.005 0.000 1.155 668 L HN 0.403 nan 8.230 nan 0.000 0.452 669 T N 2.894 117.451 114.554 0.005 0.000 3.209 669 T HA 0.303 4.655 4.350 0.004 0.000 0.366 669 T C -2.221 172.483 174.700 0.006 0.000 1.293 669 T CA -1.010 61.093 62.100 0.005 0.000 1.417 669 T CB 0.618 69.489 68.868 0.004 0.000 1.013 669 T HN 0.319 nan 8.240 nan 0.000 0.572 670 P HA 0.245 nan 4.420 nan 0.000 0.271 670 P C 0.965 178.270 177.300 0.008 0.000 1.226 670 P CA -0.363 62.742 63.100 0.008 0.000 0.765 670 P CB 0.948 32.653 31.700 0.008 0.000 0.835 671 S N 1.710 117.416 115.700 0.010 0.000 2.436 671 S HA 0.095 4.567 4.470 0.004 0.000 0.228 671 S C 1.682 176.289 174.600 0.011 0.000 1.014 671 S CA 0.515 58.721 58.200 0.010 0.000 0.950 671 S CB -0.990 62.217 63.200 0.012 0.000 0.784 671 S HN 0.772 nan 8.310 nan 0.000 0.504 672 G N 0.580 109.387 108.800 0.011 0.000 2.168 672 G HA2 -0.299 3.663 3.960 0.004 0.000 0.263 672 G HA3 -0.299 3.663 3.960 0.004 0.000 0.263 672 G C -0.098 174.810 174.900 0.013 0.000 0.977 672 G CA 0.475 45.582 45.100 0.011 0.000 0.659 672 G HN 0.634 nan 8.290 nan 0.000 0.533 673 E N 0.455 120.664 120.200 0.016 0.000 2.383 673 E HA 0.604 4.956 4.350 0.004 0.000 0.264 673 E C 0.866 177.478 176.600 0.021 0.000 1.050 673 E CA 0.561 56.972 56.400 0.019 0.000 0.896 673 E CB 0.671 30.384 29.700 0.021 0.000 0.982 673 E HN 0.844 nan 8.360 nan 0.000 0.424 674 A N 4.931 127.764 122.820 0.022 0.000 2.451 674 A HA 0.299 4.621 4.320 0.004 0.000 0.266 674 A C -1.967 175.633 177.584 0.027 0.000 1.119 674 A CA -1.197 50.853 52.037 0.022 0.000 0.786 674 A CB -0.471 18.543 19.000 0.022 0.000 1.061 674 A HN 0.451 nan 8.150 nan 0.000 0.503 675 P HA 0.050 nan 4.420 nan 0.000 0.267 675 P C -0.200 177.115 177.300 0.024 0.000 1.205 675 P CA 0.015 63.131 63.100 0.027 0.000 0.765 675 P CB 0.230 31.943 31.700 0.021 0.000 0.828 676 N N 2.612 121.329 118.700 0.029 0.000 2.421 676 N HA -0.013 4.729 4.740 0.004 0.000 0.260 676 N C 0.299 175.804 175.510 -0.010 0.000 1.173 676 N CA -0.210 52.844 53.050 0.006 0.000 0.960 676 N CB 0.203 38.692 38.487 0.004 0.000 1.273 676 N HN 0.367 nan 8.380 nan 0.000 0.497 677 Q N 1.863 121.656 119.800 -0.011 0.000 2.228 677 Q HA 0.140 4.483 4.340 0.004 0.000 0.211 677 Q C 0.199 176.182 176.000 -0.028 0.000 0.890 677 Q CA -0.392 55.403 55.803 -0.012 0.000 0.953 677 Q CB 0.631 29.367 28.738 -0.003 0.000 1.053 677 Q HN 0.587 nan 8.270 nan 0.000 0.471 678 A N 1.111 123.898 122.820 -0.055 0.000 2.483 678 A HA 0.206 4.528 4.320 0.004 0.000 0.238 678 A C -0.068 177.479 177.584 -0.062 0.000 1.070 678 A CA -0.037 51.959 52.037 -0.070 0.000 0.770 678 A CB 0.281 19.209 19.000 -0.119 0.000 1.008 678 A HN 0.386 nan 8.150 nan 0.000 0.497 679 L N 1.885 123.078 121.223 -0.050 0.000 2.289 679 L HA 0.385 4.727 4.340 0.004 0.000 0.285 679 L C -0.488 176.353 176.870 -0.049 0.000 1.049 679 L CA -0.642 54.175 54.840 -0.038 0.000 0.804 679 L CB 1.248 43.293 42.059 -0.024 0.000 1.195 679 L HN 0.653 nan 8.230 nan 0.000 0.428 680 L N 4.887 126.086 121.223 -0.039 0.000 2.301 680 L HA 0.394 4.736 4.340 0.004 0.000 0.278 680 L C -0.118 176.731 176.870 -0.035 0.000 1.022 680 L CA -0.076 54.738 54.840 -0.043 0.000 0.854 680 L CB 0.749 42.791 42.059 -0.027 0.000 1.226 680 L HN 0.463 nan 8.230 nan 0.000 0.429 681 R N 5.123 125.591 120.500 -0.053 0.000 2.308 681 R HA 0.493 4.835 4.340 0.004 0.000 0.305 681 R C -0.660 175.606 176.300 -0.056 0.000 1.053 681 R CA -0.673 55.399 56.100 -0.048 0.000 0.957 681 R CB 0.951 31.208 30.300 -0.071 0.000 1.022 681 R HN 0.493 nan 8.270 nan 0.000 0.461 682 I N 5.447 126.004 120.570 -0.021 0.000 2.353 682 I HA 0.271 4.444 4.170 0.004 0.000 0.293 682 I C 0.021 176.141 176.117 0.005 0.000 0.992 682 I CA -0.517 60.776 61.300 -0.011 0.000 1.268 682 I CB 0.855 38.859 38.000 0.008 0.000 1.387 682 I HN 0.428 nan 8.210 nan 0.000 0.478 683 L N 5.211 126.443 121.223 0.015 0.000 2.341 683 L HA 0.510 4.852 4.340 0.004 0.000 0.278 683 L C 0.255 177.189 176.870 0.106 0.000 1.005 683 L CA -0.858 54.026 54.840 0.073 0.000 0.818 683 L CB 1.738 43.820 42.059 0.038 0.000 1.259 683 L HN 0.490 nan 8.230 nan 0.000 0.418 684 K N 1.346 121.774 120.400 0.045 0.000 2.382 684 K HA 0.008 4.330 4.320 0.004 0.000 0.275 684 K C 0.958 177.380 176.600 -0.296 0.000 1.009 684 K CA 0.054 56.308 56.287 -0.055 0.000 0.970 684 K CB 0.974 33.449 32.500 -0.043 0.000 0.934 684 K HN 0.658 nan 8.250 nan 0.000 0.479 685 E N 1.091 121.087 120.200 -0.340 0.000 2.085 685 E HA -0.218 4.134 4.350 0.004 0.000 0.194 685 E C 1.336 177.434 176.600 -0.836 0.000 0.994 685 E CA 2.053 58.032 56.400 -0.702 0.000 0.801 685 E CB 0.063 29.609 29.700 -0.257 0.000 0.743 685 E HN 0.891 nan 8.360 nan 0.000 0.453 686 T N -0.730 113.576 114.554 -0.413 0.000 2.760 686 T HA -0.211 4.141 4.350 0.004 0.000 0.269 686 T C 1.459 175.984 174.700 -0.293 0.000 1.047 686 T CA 1.484 63.413 62.100 -0.286 0.000 1.139 686 T CB -0.369 68.406 68.868 -0.156 0.000 0.855 686 T HN 0.221 nan 8.240 nan 0.000 0.471 687 E N 0.846 120.847 120.200 -0.332 0.000 2.409 687 E HA 0.104 4.457 4.350 0.004 0.000 0.198 687 E C 0.090 176.754 176.600 0.105 0.000 1.024 687 E CA 0.422 56.788 56.400 -0.058 0.000 0.861 687 E CB -0.142 29.683 29.700 0.208 0.000 0.788 687 E HN 0.864 nan 8.360 nan 0.000 0.521 688 F N 0.170 120.210 119.950 0.150 0.000 2.576 688 F HA 0.497 5.026 4.527 0.004 0.000 0.313 688 F C -0.474 175.343 175.800 0.029 0.000 1.078 688 F CA -1.604 56.473 58.000 0.128 0.000 0.921 688 F CB 1.141 40.231 39.000 0.151 0.000 1.232 688 F HN -0.361 nan 8.300 nan 0.000 0.459 689 K N 1.558 122.107 120.400 0.248 0.000 2.259 689 K HA 0.563 4.885 4.320 0.004 0.000 0.252 689 K C -1.484 175.176 176.600 0.099 0.000 0.936 689 K CA -1.001 55.357 56.287 0.119 0.000 0.810 689 K CB 2.349 34.871 32.500 0.037 0.000 1.143 689 K HN 0.776 nan 8.250 nan 0.000 0.427 690 K N 3.116 123.523 120.400 0.011 0.000 2.205 690 K HA 0.230 4.552 4.320 0.004 0.000 0.279 690 K C 0.592 177.190 176.600 -0.004 0.000 1.027 690 K CA -0.410 55.849 56.287 -0.047 0.000 0.932 690 K CB 1.366 33.673 32.500 -0.321 0.000 1.032 690 K HN 0.790 nan 8.250 nan 0.000 0.466 691 I N -0.758 119.834 120.570 0.037 0.000 3.812 691 I HA 0.173 4.345 4.170 0.004 0.000 0.292 691 I C 0.110 176.256 176.117 0.049 0.000 1.206 691 I CA 0.265 61.580 61.300 0.024 0.000 1.370 691 I CB 0.651 38.647 38.000 -0.007 0.000 1.328 691 I HN 0.436 nan 8.210 nan 0.000 0.453 692 K N 0.965 121.413 120.400 0.081 0.000 2.395 692 K HA 0.592 4.915 4.320 0.004 0.000 0.247 692 K C -1.426 175.264 176.600 0.148 0.000 0.973 692 K CA -0.786 55.552 56.287 0.085 0.000 0.828 692 K CB 2.776 35.298 32.500 0.037 0.000 1.272 692 K HN -0.005 nan 8.250 nan 0.000 0.439 693 V N 5.126 125.102 119.914 0.103 0.000 2.465 693 V HA 0.194 4.317 4.120 0.004 0.000 0.279 693 V C 0.838 176.913 176.094 -0.030 0.000 1.045 693 V CA -0.308 61.999 62.300 0.012 0.000 0.938 693 V CB 1.251 33.054 31.823 -0.033 0.000 0.986 693 V HN 0.765 nan 8.190 nan 0.000 0.467 694 L N 3.875 125.054 121.223 -0.074 0.000 2.556 694 L HA 0.505 4.848 4.340 0.004 0.000 0.226 694 L C 0.999 177.824 176.870 -0.075 0.000 1.089 694 L CA 0.574 55.388 54.840 -0.044 0.000 0.864 694 L CB 0.336 42.390 42.059 -0.008 0.000 1.067 694 L HN 0.798 nan 8.230 nan 0.000 0.477 701 T N -1.766 112.726 114.554 -0.103 0.000 2.940 701 T HA 0.687 5.039 4.350 0.004 0.000 0.288 701 T C -0.974 173.526 174.700 -0.333 0.000 1.033 701 T CA -0.511 61.448 62.100 -0.234 0.000 1.033 701 T CB 1.668 70.335 68.868 -0.336 0.000 1.079 701 T HN 0.902 nan 8.240 nan 0.000 0.496 702 V N 3.788 123.464 119.914 -0.396 0.000 2.540 702 V HA 0.518 4.641 4.120 0.004 0.000 0.302 702 V C -1.387 174.492 176.094 -0.360 0.000 1.035 702 V CA -0.788 61.339 62.300 -0.289 0.000 0.873 702 V CB 1.235 32.975 31.823 -0.138 0.000 0.992 702 V HN 0.904 nan 8.190 nan 0.000 0.428 703 Y N 2.668 122.954 120.300 -0.023 0.000 2.393 703 Y HA 0.481 5.034 4.550 0.004 0.000 0.341 703 Y C 0.297 176.192 175.900 -0.008 0.000 0.988 703 Y CA -1.010 57.084 58.100 -0.010 0.000 1.078 703 Y CB 1.414 39.871 38.460 -0.005 0.000 1.203 703 Y HN 0.538 nan 8.280 nan 0.000 0.453 704 K N 2.054 122.544 120.400 0.151 0.000 2.368 704 K HA 0.585 4.907 4.320 0.004 0.000 0.282 704 K C -0.122 176.539 176.600 0.101 0.000 1.035 704 K CA 0.145 56.499 56.287 0.111 0.000 0.973 704 K CB 0.147 32.697 32.500 0.084 0.000 0.957 704 K HN 0.968 nan 8.250 nan 0.000 0.474 705 G N 2.917 111.762 108.800 0.075 0.000 2.649 705 G HA2 0.417 4.379 3.960 0.004 0.000 0.290 705 G HA3 0.417 4.379 3.960 0.004 0.000 0.290 705 G C -1.735 173.206 174.900 0.070 0.000 1.426 705 G CA -0.950 44.187 45.100 0.062 0.000 0.794 705 G HN 0.534 nan 8.290 nan 0.000 0.483 706 L N 0.043 121.318 121.223 0.087 0.000 2.325 706 L HA 0.545 4.887 4.340 0.004 0.000 0.278 706 L C -0.828 176.182 176.870 0.233 0.000 1.023 706 L CA -0.871 54.035 54.840 0.111 0.000 0.811 706 L CB 2.056 44.143 42.059 0.046 0.000 1.249 706 L HN 0.658 nan 8.230 nan 0.000 0.431 707 W N 5.469 126.789 121.300 0.034 0.000 2.390 707 W HA 0.604 5.266 4.660 0.003 0.000 0.312 707 W C -1.112 175.404 176.519 -0.006 0.000 1.123 707 W CA -1.038 56.355 57.345 0.079 0.000 1.202 707 W CB 0.816 30.312 29.460 0.061 0.000 1.251 707 W HN 0.190 nan 8.180 nan 0.000 0.511 708 I N 8.882 129.329 120.570 -0.204 0.000 2.641 708 I HA 0.200 4.372 4.170 0.004 0.000 0.275 708 I C -2.176 173.707 176.117 -0.389 0.000 1.129 708 I CA -1.848 59.234 61.300 -0.363 0.000 1.094 708 I CB 1.332 39.244 38.000 -0.147 0.000 1.232 708 I HN 0.162 nan 8.210 nan 0.000 0.503 709 P HA 0.051 nan 4.420 nan 0.000 0.264 709 P C -0.315 176.881 177.300 -0.173 0.000 1.193 709 P CA -0.120 62.776 63.100 -0.341 0.000 0.763 709 P CB 0.481 31.917 31.700 -0.440 0.000 0.810 710 E N 2.148 122.310 120.200 -0.064 0.000 2.493 710 E HA 0.293 4.645 4.350 0.004 0.000 0.255 710 E C 1.456 178.034 176.600 -0.037 0.000 0.999 710 E CA 1.822 58.194 56.400 -0.046 0.000 0.934 710 E CB -0.444 29.245 29.700 -0.018 0.000 0.940 710 E HN 0.681 nan 8.360 nan 0.000 0.473 711 G N 3.436 112.208 108.800 -0.047 0.000 4.731 711 G HA2 -0.287 3.676 3.960 0.004 0.000 0.266 711 G HA3 -0.287 3.676 3.960 0.004 0.000 0.266 711 G C 0.139 175.011 174.900 -0.045 0.000 1.635 711 G CA -0.050 45.031 45.100 -0.033 0.000 1.229 711 G HN 0.619 nan 8.290 nan 0.000 0.663 715 K N 4.175 124.433 120.400 -0.236 0.000 2.463 715 K HA 0.942 5.264 4.320 0.004 0.000 0.255 715 K C -1.066 175.453 176.600 -0.135 0.000 0.942 715 K CA -0.458 55.715 56.287 -0.190 0.000 0.814 715 K CB 1.976 34.406 32.500 -0.117 0.000 1.122 715 K HN 0.767 nan 8.250 nan 0.000 0.425 716 I N 4.144 124.657 120.570 -0.097 0.000 2.406 716 I HA 0.372 4.544 4.170 0.004 0.000 0.290 716 I C -2.336 173.836 176.117 0.091 0.000 0.999 716 I CA -2.681 58.620 61.300 0.002 0.000 1.124 716 I CB 2.406 40.436 38.000 0.050 0.000 1.289 716 I HN 0.445 nan 8.210 nan 0.000 0.441 717 P HA 0.099 nan 4.420 nan 0.000 0.271 717 P C -0.665 176.705 177.300 0.115 0.000 1.233 717 P CA 0.040 63.210 63.100 0.117 0.000 0.764 717 P CB 0.860 32.659 31.700 0.164 0.000 0.825 718 V N 0.597 120.573 119.914 0.102 0.000 2.876 718 V HA 0.913 5.035 4.120 0.004 0.000 0.312 718 V C -0.657 175.454 176.094 0.028 0.000 1.085 718 V CA -1.535 60.794 62.300 0.048 0.000 0.945 718 V CB 1.945 33.779 31.823 0.018 0.000 1.017 718 V HN 0.558 nan 8.190 nan 0.000 0.428 719 A N 4.428 127.242 122.820 -0.010 0.000 2.292 719 A HA 0.901 5.223 4.320 0.004 0.000 0.319 719 A C -0.564 176.978 177.584 -0.071 0.000 1.206 719 A CA -0.640 51.391 52.037 -0.010 0.000 0.835 719 A CB 0.596 19.590 19.000 -0.010 0.000 1.164 719 A HN 0.940 nan 8.150 nan 0.000 0.505 720 I N 2.261 122.810 120.570 -0.035 0.000 2.354 720 I HA 0.449 4.622 4.170 0.004 0.000 0.286 720 I C 0.576 176.710 176.117 0.028 0.000 1.007 720 I CA 0.031 61.286 61.300 -0.075 0.000 1.167 720 I CB 1.694 39.635 38.000 -0.098 0.000 1.320 720 I HN 0.717 nan 8.210 nan 0.000 0.458 721 M N 5.188 124.766 119.600 -0.037 0.000 2.111 721 M HA 0.461 4.943 4.480 0.004 0.000 0.351 721 M C -0.163 176.141 176.300 0.006 0.000 1.214 721 M CA -0.379 54.905 55.300 -0.028 0.000 1.120 721 M CB 0.290 32.851 32.600 -0.065 0.000 1.443 721 M HN 0.661 nan 8.290 nan 0.000 0.429 722 E N 3.715 123.955 120.200 0.066 0.000 2.055 722 E HA 0.687 5.039 4.350 0.004 0.000 0.274 722 E C -1.213 175.412 176.600 0.041 0.000 0.949 722 E CA -0.212 56.245 56.400 0.094 0.000 0.775 722 E CB 0.554 30.402 29.700 0.246 0.000 1.097 722 E HN 0.877 nan 8.360 nan 0.000 0.404 731 A N 1.816 124.632 122.820 -0.005 0.000 3.077 731 A HA 0.282 4.604 4.320 0.004 0.000 0.255 731 A C 0.362 177.942 177.584 -0.008 0.000 1.728 731 A CA 0.109 52.141 52.037 -0.008 0.000 1.383 731 A CB -1.164 17.831 19.000 -0.009 0.000 1.097 731 A HN 0.526 nan 8.150 nan 0.000 0.634 732 N N 0.627 119.322 118.700 -0.007 0.000 2.356 732 N HA -0.042 4.700 4.740 0.004 0.000 0.178 732 N C 1.985 177.490 175.510 -0.008 0.000 1.075 732 N CA 0.914 53.961 53.050 -0.006 0.000 0.889 732 N CB 0.300 38.786 38.487 -0.003 0.000 0.999 732 N HN 0.692 nan 8.380 nan 0.000 0.464 733 K N 1.518 121.911 120.400 -0.011 0.000 2.147 733 K HA -0.119 4.203 4.320 0.004 0.000 0.205 733 K C 2.062 178.652 176.600 -0.017 0.000 1.049 733 K CA 1.810 58.087 56.287 -0.016 0.000 0.936 733 K CB -1.329 31.159 32.500 -0.020 0.000 0.722 733 K HN 0.469 nan 8.250 nan 0.000 0.446 734 E N 0.806 120.998 120.200 -0.015 0.000 2.015 734 E HA 0.003 4.355 4.350 0.004 0.000 0.191 734 E C 1.986 178.579 176.600 -0.012 0.000 0.991 734 E CA 1.206 57.597 56.400 -0.014 0.000 0.802 734 E CB -0.516 29.175 29.700 -0.015 0.000 0.759 734 E HN 0.588 nan 8.360 nan 0.000 0.447 735 I N -0.027 120.536 120.570 -0.013 0.000 2.264 735 I HA -0.218 3.954 4.170 0.004 0.000 0.248 735 I C 2.549 178.661 176.117 -0.008 0.000 1.111 735 I CA 1.226 62.517 61.300 -0.015 0.000 1.382 735 I CB 0.005 37.996 38.000 -0.015 0.000 1.060 735 I HN 0.297 nan 8.210 nan 0.000 0.418 736 L N -0.024 121.199 121.223 0.000 0.000 2.109 736 L HA -0.183 4.159 4.340 0.004 0.000 0.207 736 L C 1.935 178.830 176.870 0.040 0.000 1.086 736 L CA 1.199 56.049 54.840 0.017 0.000 0.760 736 L CB -0.739 41.327 42.059 0.013 0.000 0.910 736 L HN 0.213 nan 8.230 nan 0.000 0.437 737 D N 0.445 120.856 120.400 0.018 0.000 2.144 737 D HA -0.147 4.495 4.640 0.004 0.000 0.200 737 D C 2.361 178.704 176.300 0.073 0.000 0.978 737 D CA 1.381 55.395 54.000 0.024 0.000 0.833 737 D CB 0.030 40.815 40.800 -0.025 0.000 0.961 737 D HN 0.383 nan 8.370 nan 0.000 0.470 738 E N 0.955 121.175 120.200 0.034 0.000 2.047 738 E HA -0.043 4.309 4.350 0.004 0.000 0.191 738 E C 2.134 178.742 176.600 0.014 0.000 0.987 738 E CA 1.454 57.864 56.400 0.016 0.000 0.799 738 E CB -1.080 28.602 29.700 -0.029 0.000 0.752 738 E HN 0.302 nan 8.360 nan 0.000 0.449 739 A N -0.419 122.408 122.820 0.012 0.000 1.917 739 A HA -0.129 4.194 4.320 0.004 0.000 0.219 739 A C 2.280 179.889 177.584 0.042 0.000 1.182 739 A CA 1.929 53.966 52.037 -0.000 0.000 0.633 739 A CB -0.836 18.163 19.000 -0.001 0.000 0.819 739 A HN 0.733 nan 8.150 nan 0.000 0.448 740 Y N 0.912 121.196 120.300 -0.028 0.000 2.097 740 Y HA -0.234 4.318 4.550 0.004 0.000 0.282 740 Y C 2.520 178.420 175.900 0.000 0.000 1.152 740 Y CA 2.701 60.794 58.100 -0.012 0.000 1.136 740 Y CB -0.293 38.164 38.460 -0.004 0.000 0.975 740 Y HN 0.232 nan 8.280 nan 0.000 0.498 741 V N -1.427 118.612 119.914 0.207 0.000 2.548 741 V HA -0.241 3.881 4.120 0.004 0.000 0.249 741 V C 2.038 178.151 176.094 0.032 0.000 1.055 741 V CA 2.013 64.392 62.300 0.133 0.000 1.065 741 V CB -0.726 31.226 31.823 0.215 0.000 0.681 741 V HN 0.529 nan 8.190 nan 0.000 0.462 742 M N 0.647 120.229 119.600 -0.030 0.000 2.229 742 M HA 0.066 4.548 4.480 0.004 0.000 0.264 742 M C 2.371 178.622 176.300 -0.082 0.000 1.063 742 M CA 1.894 57.133 55.300 -0.103 0.000 1.114 742 M CB -0.394 32.105 32.600 -0.169 0.000 1.387 742 M HN 0.538 nan 8.290 nan 0.000 0.420 743 A N -0.989 121.772 122.820 -0.098 0.000 2.072 743 A HA -0.015 4.307 4.320 0.004 0.000 0.216 743 A C 2.147 179.668 177.584 -0.105 0.000 1.156 743 A CA 1.212 53.185 52.037 -0.107 0.000 0.701 743 A CB -0.355 18.570 19.000 -0.126 0.000 0.816 743 A HN 0.383 nan 8.150 nan 0.000 0.458 744 S N -0.375 115.249 115.700 -0.126 0.000 2.461 744 S HA 0.042 4.514 4.470 0.004 0.000 0.228 744 S C 0.953 175.571 174.600 0.030 0.000 1.005 744 S CA 0.521 58.657 58.200 -0.107 0.000 0.942 744 S CB -0.550 62.537 63.200 -0.188 0.000 0.776 744 S HN 0.715 nan 8.310 nan 0.000 0.514 745 V N 1.593 121.561 119.914 0.090 0.000 2.572 745 V HA 0.438 4.560 4.120 0.004 0.000 0.291 745 V C -0.672 175.487 176.094 0.109 0.000 1.039 745 V CA -0.333 62.106 62.300 0.231 0.000 1.055 745 V CB 1.048 33.054 31.823 0.306 0.000 0.969 745 V HN -0.006 nan 8.190 nan 0.000 0.482 746 D N 4.182 124.642 120.400 0.100 0.000 2.408 746 D HA 0.430 5.072 4.640 0.004 0.000 0.261 746 D C -0.893 175.156 176.300 -0.418 0.000 1.190 746 D CA -0.045 53.902 54.000 -0.088 0.000 0.910 746 D CB 0.842 41.640 40.800 -0.003 0.000 1.097 746 D HN 0.914 nan 8.370 nan 0.000 0.522 747 N N 2.325 120.743 118.700 -0.470 0.000 2.331 747 N HA 0.446 5.189 4.740 0.004 0.000 0.280 747 N C -2.297 173.050 175.510 -0.272 0.000 1.155 747 N CA -1.431 51.289 53.050 -0.550 0.000 0.822 747 N CB 2.309 40.204 38.487 -0.987 0.000 1.619 747 N HN -0.095 nan 8.380 nan 0.000 0.476 748 P HA 0.013 nan 4.420 nan 0.000 0.226 748 P C -0.219 176.860 177.300 -0.367 0.000 1.153 748 P CA 1.093 64.015 63.100 -0.298 0.000 0.777 748 P CB 0.145 31.596 31.700 -0.415 0.000 0.794 749 H N -1.965 117.125 119.070 0.033 0.000 2.581 749 H HA 0.332 4.890 4.556 0.004 0.000 0.275 749 H C -0.165 175.185 175.328 0.037 0.000 1.126 749 H CA -0.046 56.044 56.048 0.070 0.000 1.097 749 H CB 0.797 30.577 29.762 0.030 0.000 1.626 749 H HN -0.045 nan 8.280 nan 0.000 0.565 750 V N 1.256 121.203 119.914 0.054 0.000 2.656 750 V HA 0.158 4.280 4.120 0.004 0.000 0.307 750 V C 0.468 176.587 176.094 0.042 0.000 1.051 750 V CA -0.832 61.521 62.300 0.089 0.000 0.893 750 V CB 2.237 34.140 31.823 0.132 0.000 0.999 750 V HN 0.290 nan 8.190 nan 0.000 0.426 751 C N 4.110 123.445 119.300 0.057 0.000 2.644 751 C HA 0.531 4.993 4.460 0.004 0.000 0.417 751 C C 0.681 175.661 174.990 -0.017 0.000 1.304 751 C CA -0.215 58.803 59.018 0.001 0.000 2.035 751 C CB 0.005 27.739 27.740 -0.011 0.000 2.673 751 C HN 0.945 nan 8.230 nan 0.000 0.602 752 R N 1.915 122.392 120.500 -0.038 0.000 2.664 752 R HA 0.639 4.981 4.340 0.004 0.000 0.286 752 R C -0.628 175.627 176.300 -0.075 0.000 0.967 752 R CA -0.725 55.345 56.100 -0.049 0.000 0.933 752 R CB 0.651 30.927 30.300 -0.040 0.000 1.146 752 R HN 0.679 nan 8.270 nan 0.000 0.468 753 L N 4.350 125.516 121.223 -0.095 0.000 2.525 753 L HA -0.032 4.310 4.340 0.004 0.000 0.278 753 L C 0.383 177.184 176.870 -0.114 0.000 1.218 753 L CA 0.433 55.204 54.840 -0.116 0.000 0.878 753 L CB 0.593 42.581 42.059 -0.119 0.000 1.127 753 L HN 0.767 nan 8.230 nan 0.000 0.492 754 L N 3.807 124.940 121.223 -0.150 0.000 2.127 754 L HA 0.358 4.700 4.340 0.004 0.000 0.203 754 L C 0.906 177.625 176.870 -0.251 0.000 1.080 754 L CA 1.463 56.188 54.840 -0.192 0.000 0.768 754 L CB -0.658 41.249 42.059 -0.254 0.000 0.924 754 L HN 0.853 nan 8.230 nan 0.000 0.444 755 G N -0.963 107.686 108.800 -0.251 0.000 2.342 755 G HA2 0.380 4.343 3.960 0.004 0.000 0.297 755 G HA3 0.380 4.343 3.960 0.004 0.000 0.297 755 G C -1.513 173.277 174.900 -0.184 0.000 1.313 755 G CA -0.129 44.838 45.100 -0.222 0.000 0.830 755 G HN 0.144 nan 8.290 nan 0.000 0.506 756 I N -2.989 117.506 120.570 -0.125 0.000 3.145 756 I HA 0.861 5.034 4.170 0.004 0.000 0.313 756 I C -0.859 175.239 176.117 -0.031 0.000 1.122 756 I CA -1.256 59.991 61.300 -0.088 0.000 0.987 756 I CB 2.270 40.237 38.000 -0.055 0.000 1.236 756 I HN 0.738 nan 8.210 nan 0.000 0.453 757 C N 4.560 123.867 119.300 0.012 0.000 2.346 757 C HA 0.510 4.973 4.460 0.004 0.000 0.326 757 C C 0.291 175.314 174.990 0.054 0.000 1.224 757 C CA -0.585 58.484 59.018 0.086 0.000 1.408 757 C CB 0.461 28.343 27.740 0.236 0.000 2.089 757 C HN 0.831 nan 8.230 nan 0.000 0.456 758 L N 6.633 127.880 121.223 0.039 0.000 2.873 758 L HA 0.184 4.526 4.340 0.004 0.000 0.236 758 L C 1.195 178.081 176.870 0.027 0.000 1.375 758 L CA 0.118 54.974 54.840 0.026 0.000 1.239 758 L CB -0.540 41.530 42.059 0.018 0.000 1.603 758 L HN 0.901 nan 8.230 nan 0.000 0.430 759 T N -4.054 110.522 114.554 0.037 0.000 2.828 759 T HA 0.078 4.430 4.350 0.004 0.000 0.290 759 T C 1.544 176.259 174.700 0.024 0.000 1.019 759 T CA -0.128 61.991 62.100 0.031 0.000 1.031 759 T CB 1.283 70.177 68.868 0.044 0.000 1.001 759 T HN 0.435 nan 8.240 nan 0.000 0.531 760 S N 0.737 116.448 115.700 0.019 0.000 2.389 760 S HA -0.150 4.323 4.470 0.004 0.000 0.231 760 S C 0.988 175.600 174.600 0.019 0.000 1.052 760 S CA 1.310 59.520 58.200 0.016 0.000 1.053 760 S CB -1.324 61.884 63.200 0.013 0.000 0.886 760 S HN 0.868 nan 8.310 nan 0.000 0.456 761 T N 3.353 117.922 114.554 0.026 0.000 2.811 761 T HA 0.529 4.881 4.350 0.004 0.000 0.309 761 T C -0.164 174.554 174.700 0.031 0.000 1.005 761 T CA -0.442 61.675 62.100 0.028 0.000 0.955 761 T CB 1.083 69.974 68.868 0.038 0.000 0.970 761 T HN 0.340 nan 8.240 nan 0.000 0.496 762 V N 4.471 124.397 119.914 0.020 0.000 2.763 762 V HA 0.163 4.285 4.120 0.004 0.000 0.306 762 V C -0.287 175.814 176.094 0.013 0.000 1.059 762 V CA 0.365 62.675 62.300 0.017 0.000 1.138 762 V CB 0.541 32.368 31.823 0.007 0.000 0.940 762 V HN 0.867 nan 8.190 nan 0.000 0.489 763 Q N 6.225 126.030 119.800 0.009 0.000 2.353 763 Q HA 0.591 4.934 4.340 0.004 0.000 0.268 763 Q C -1.304 174.655 176.000 -0.069 0.000 1.045 763 Q CA -0.684 55.110 55.803 -0.015 0.000 0.811 763 Q CB 2.582 31.324 28.738 0.007 0.000 1.305 763 Q HN 0.701 nan 8.270 nan 0.000 0.447 764 L N 3.347 124.513 121.223 -0.095 0.000 2.317 764 L HA 0.596 4.938 4.340 0.004 0.000 0.281 764 L C -0.567 176.192 176.870 -0.185 0.000 1.024 764 L CA -0.745 54.019 54.840 -0.126 0.000 0.810 764 L CB 1.120 43.115 42.059 -0.105 0.000 1.240 764 L HN 0.536 nan 8.230 nan 0.000 0.427 765 I N 2.553 122.988 120.570 -0.225 0.000 2.411 765 I HA 0.295 4.467 4.170 0.004 0.000 0.284 765 I C 0.038 176.028 176.117 -0.211 0.000 1.012 765 I CA -0.229 60.902 61.300 -0.282 0.000 1.119 765 I CB 2.045 39.784 38.000 -0.435 0.000 1.261 765 I HN 0.607 nan 8.210 nan 0.000 0.448 766 T N 1.860 116.318 114.554 -0.160 0.000 2.932 766 T HA 0.526 4.878 4.350 0.004 0.000 0.289 766 T C -0.422 174.231 174.700 -0.077 0.000 1.039 766 T CA -0.981 61.047 62.100 -0.121 0.000 1.024 766 T CB 1.683 70.480 68.868 -0.118 0.000 1.090 766 T HN 0.583 nan 8.240 nan 0.000 0.496 767 Q N 1.594 121.363 119.800 -0.051 0.000 2.340 767 Q HA 0.615 4.957 4.340 0.004 0.000 0.249 767 Q C -0.928 175.067 176.000 -0.007 0.000 0.957 767 Q CA -0.743 55.055 55.803 -0.010 0.000 0.882 767 Q CB 0.645 29.383 28.738 -0.001 0.000 1.235 767 Q HN 0.621 nan 8.270 nan 0.000 0.439 768 L N 1.851 123.089 121.223 0.025 0.000 2.354 768 L HA 0.500 4.842 4.340 0.004 0.000 0.269 768 L C -0.252 176.617 176.870 -0.000 0.000 1.005 768 L CA -1.319 53.533 54.840 0.021 0.000 0.819 768 L CB 2.066 44.198 42.059 0.122 0.000 1.311 768 L HN 0.657 nan 8.230 nan 0.000 0.423 769 M N 2.459 122.001 119.600 -0.096 0.000 2.250 769 M HA 0.246 4.728 4.480 0.004 0.000 0.344 769 M C -1.460 174.777 176.300 -0.106 0.000 1.150 769 M CA -2.327 52.904 55.300 -0.115 0.000 1.147 769 M CB 0.707 33.221 32.600 -0.144 0.000 1.498 769 M HN 0.234 nan 8.290 nan 0.000 0.461 770 P HA -0.141 nan 4.420 nan 0.000 0.216 770 P C 0.796 177.993 177.300 -0.171 0.000 1.150 770 P CA 1.824 64.817 63.100 -0.178 0.000 0.843 770 P CB -0.049 31.310 31.700 -0.567 0.000 0.787 771 F N -1.005 118.958 119.950 0.022 0.000 2.693 771 F HA 0.423 4.953 4.527 0.004 0.000 0.303 771 F C 1.799 177.526 175.800 -0.122 0.000 1.097 771 F CA 0.420 58.447 58.000 0.045 0.000 1.330 771 F CB -0.706 38.273 39.000 -0.034 0.000 1.067 771 F HN 0.035 nan 8.300 nan 0.000 0.565 772 G N 0.146 108.605 108.800 -0.568 0.000 2.642 772 G HA2 -0.267 3.695 3.960 0.004 0.000 0.231 772 G HA3 -0.267 3.695 3.960 0.004 0.000 0.231 772 G C -0.181 174.467 174.900 -0.421 0.000 1.338 772 G CA -1.003 43.496 45.100 -1.001 0.000 0.883 772 G HN 0.682 nan 8.290 nan 0.000 0.570 773 C N -0.695 118.443 119.300 -0.270 0.000 2.536 773 C HA 0.702 5.164 4.460 0.004 0.000 0.396 773 C C 2.097 177.044 174.990 -0.072 0.000 1.279 773 C CA -0.017 58.915 59.018 -0.142 0.000 2.148 773 C CB 0.667 28.360 27.740 -0.078 0.000 2.584 773 C HN 1.443 nan 8.230 nan 0.000 0.579 774 L N 2.514 123.659 121.223 -0.130 0.000 2.131 774 L HA -0.017 4.325 4.340 0.004 0.000 0.210 774 L C 2.044 178.908 176.870 -0.009 0.000 1.092 774 L CA 1.647 56.379 54.840 -0.179 0.000 0.759 774 L CB -1.014 40.850 42.059 -0.326 0.000 0.903 774 L HN 0.922 nan 8.230 nan 0.000 0.435 775 L N -0.566 120.673 121.223 0.027 0.000 2.017 775 L HA -0.191 4.152 4.340 0.004 0.000 0.208 775 L C 2.046 178.988 176.870 0.120 0.000 1.073 775 L CA 1.932 56.825 54.840 0.088 0.000 0.745 775 L CB -0.916 41.205 42.059 0.102 0.000 0.894 775 L HN 0.257 nan 8.230 nan 0.000 0.432 776 D N -1.565 118.905 120.400 0.116 0.000 2.149 776 D HA -0.251 4.392 4.640 0.004 0.000 0.198 776 D C 2.001 178.399 176.300 0.163 0.000 0.990 776 D CA 1.462 55.540 54.000 0.130 0.000 0.839 776 D CB -0.266 40.616 40.800 0.137 0.000 0.948 776 D HN 0.475 nan 8.370 nan 0.000 0.460 777 Y N 1.299 121.636 120.300 0.063 0.000 2.145 777 Y HA -0.233 4.319 4.550 0.004 0.000 0.286 777 Y C 2.294 178.310 175.900 0.193 0.000 1.145 777 Y CA 1.548 59.729 58.100 0.135 0.000 1.148 777 Y CB -0.197 38.278 38.460 0.025 0.000 0.981 777 Y HN -0.059 nan 8.280 nan 0.000 0.507 778 V N -1.055 119.043 119.914 0.307 0.000 2.515 778 V HA -0.201 3.922 4.120 0.004 0.000 0.250 778 V C 2.167 178.406 176.094 0.243 0.000 1.058 778 V CA 1.765 64.272 62.300 0.345 0.000 1.064 778 V CB -0.756 31.284 31.823 0.362 0.000 0.675 778 V HN 0.294 nan 8.190 nan 0.000 0.461 779 R N 0.869 121.456 120.500 0.146 0.000 2.073 779 R HA -0.137 4.205 4.340 0.004 0.000 0.234 779 R C 2.326 178.602 176.300 -0.040 0.000 1.134 779 R CA 2.005 58.146 56.100 0.068 0.000 0.952 779 R CB -0.482 29.857 30.300 0.066 0.000 0.850 779 R HN 0.644 nan 8.270 nan 0.000 0.433 780 E N -0.075 120.051 120.200 -0.123 0.000 2.072 780 E HA -0.112 4.241 4.350 0.004 0.000 0.191 780 E C 1.292 177.598 176.600 -0.490 0.000 0.985 780 E CA 0.818 57.017 56.400 -0.335 0.000 0.801 780 E CB 0.031 29.441 29.700 -0.483 0.000 0.750 780 E HN 0.478 nan 8.360 nan 0.000 0.452 781 H N 0.117 119.073 119.070 -0.190 0.000 2.505 781 H HA 0.137 4.695 4.556 0.003 0.000 0.289 781 H C 1.428 176.680 175.328 -0.127 0.000 1.052 781 H CA 0.132 56.055 56.048 -0.208 0.000 1.156 781 H CB 0.388 29.919 29.762 -0.384 0.000 1.507 781 H HN 0.099 nan 8.280 nan 0.000 0.548 782 K N 1.108 121.455 120.400 -0.088 0.000 2.097 782 K HA -0.206 4.116 4.320 0.004 0.000 0.214 782 K C 0.744 177.000 176.600 -0.574 0.000 1.052 782 K CA 2.120 58.194 56.287 -0.356 0.000 0.932 782 K CB 0.183 32.497 32.500 -0.310 0.000 0.716 782 K HN 0.129 nan 8.250 nan 0.000 0.455 783 D N -0.593 119.623 120.400 -0.306 0.000 2.339 783 D HA 0.010 4.652 4.640 0.004 0.000 0.217 783 D C 0.062 176.281 176.300 -0.136 0.000 1.050 783 D CA 0.468 54.318 54.000 -0.249 0.000 0.856 783 D CB 0.173 40.869 40.800 -0.173 0.000 0.922 783 D HN 0.304 nan 8.370 nan 0.000 0.518 784 N N -0.135 118.517 118.700 -0.080 0.000 2.351 784 N HA 0.247 4.990 4.740 0.004 0.000 0.254 784 N C -0.582 174.930 175.510 0.004 0.000 1.241 784 N CA -0.044 52.991 53.050 -0.025 0.000 0.883 784 N CB 1.293 39.778 38.487 -0.004 0.000 1.202 784 N HN -0.008 nan 8.380 nan 0.000 0.512 785 I N 0.719 121.326 120.570 0.062 0.000 2.390 785 I HA 0.387 4.559 4.170 0.004 0.000 0.283 785 I C 0.831 177.056 176.117 0.181 0.000 1.016 785 I CA -0.871 60.522 61.300 0.154 0.000 1.151 785 I CB 1.360 39.584 38.000 0.372 0.000 1.293 785 I HN 0.039 nan 8.210 nan 0.000 0.458 786 G N 2.838 111.723 108.800 0.141 0.000 2.599 786 G HA2 0.199 4.162 3.960 0.004 0.000 0.264 786 G HA3 0.199 4.162 3.960 0.004 0.000 0.264 786 G C 1.027 175.977 174.900 0.083 0.000 1.200 786 G CA -0.106 45.066 45.100 0.121 0.000 0.896 786 G HN 0.680 nan 8.290 nan 0.000 0.536 787 S N -0.770 114.963 115.700 0.054 0.000 2.399 787 S HA -0.224 4.248 4.470 0.004 0.000 0.231 787 S C 2.000 176.578 174.600 -0.037 0.000 1.022 787 S CA 1.545 59.762 58.200 0.029 0.000 0.983 787 S CB -0.429 62.799 63.200 0.047 0.000 0.803 787 S HN 0.703 nan 8.310 nan 0.000 0.480 788 Q N -0.020 119.732 119.800 -0.080 0.000 2.030 788 Q HA -0.175 4.168 4.340 0.004 0.000 0.204 788 Q C 1.854 177.646 176.000 -0.347 0.000 0.986 788 Q CA 1.781 57.467 55.803 -0.195 0.000 0.843 788 Q CB -0.306 28.277 28.738 -0.258 0.000 0.904 788 Q HN 0.696 nan 8.270 nan 0.000 0.420 789 Y N 0.415 120.479 120.300 -0.394 0.000 2.145 789 Y HA -0.246 4.306 4.550 0.003 0.000 0.286 789 Y C 2.128 177.307 175.900 -1.201 0.000 1.145 789 Y CA 1.375 58.970 58.100 -0.841 0.000 1.148 789 Y CB -0.216 37.741 38.460 -0.839 0.000 0.981 789 Y HN 0.138 nan 8.280 nan 0.000 0.507 790 L N -0.941 119.972 121.223 -0.518 0.000 2.017 790 L HA -0.256 4.086 4.340 0.004 0.000 0.208 790 L C 2.291 179.119 176.870 -0.070 0.000 1.073 790 L CA 1.234 55.954 54.840 -0.201 0.000 0.745 790 L CB -0.666 41.373 42.059 -0.035 0.000 0.894 790 L HN 0.239 nan 8.230 nan 0.000 0.432 791 L N -0.531 120.655 121.223 -0.063 0.000 2.046 791 L HA -0.223 4.119 4.340 0.004 0.000 0.208 791 L C 2.339 179.205 176.870 -0.006 0.000 1.077 791 L CA 1.072 55.938 54.840 0.044 0.000 0.747 791 L CB -0.614 41.493 42.059 0.080 0.000 0.896 791 L HN 0.384 nan 8.230 nan 0.000 0.432 792 N N -0.847 117.784 118.700 -0.115 0.000 2.244 792 N HA -0.176 4.566 4.740 0.004 0.000 0.183 792 N C 1.661 177.182 175.510 0.018 0.000 1.016 792 N CA 1.054 54.048 53.050 -0.095 0.000 0.866 792 N CB -0.091 38.283 38.487 -0.188 0.000 0.980 792 N HN 0.372 nan 8.380 nan 0.000 0.430 793 W N 1.480 122.753 121.300 -0.046 0.000 2.338 793 W HA -0.099 4.563 4.660 0.003 0.000 0.304 793 W C 2.481 178.923 176.519 -0.130 0.000 1.212 793 W CA -0.017 57.291 57.345 -0.063 0.000 1.264 793 W CB -1.453 27.991 29.460 -0.028 0.000 1.142 793 W HN 0.086 nan 8.180 nan 0.000 0.512 794 C N -0.573 118.742 119.300 0.026 0.000 2.429 794 C HA -0.152 4.310 4.460 0.004 0.000 0.277 794 C C 2.822 177.728 174.990 -0.140 0.000 1.262 794 C CA 0.925 59.795 59.018 -0.246 0.000 1.733 794 C CB -1.367 25.844 27.740 -0.882 0.000 2.010 794 C HN 0.097 nan 8.230 nan 0.000 0.483 795 V N 0.898 120.766 119.914 -0.077 0.000 2.332 795 V HA -0.298 3.825 4.120 0.004 0.000 0.248 795 V C 2.507 178.525 176.094 -0.128 0.000 1.055 795 V CA 2.036 64.314 62.300 -0.036 0.000 1.038 795 V CB -0.878 30.936 31.823 -0.016 0.000 0.651 795 V HN 0.639 nan 8.190 nan 0.000 0.450 796 Q N -0.516 119.169 119.800 -0.192 0.000 2.079 796 Q HA -0.103 4.239 4.340 0.004 0.000 0.200 796 Q C 2.284 178.113 176.000 -0.286 0.000 0.974 796 Q CA 1.612 57.122 55.803 -0.489 0.000 0.840 796 Q CB -0.242 28.225 28.738 -0.451 0.000 0.898 796 Q HN 0.592 nan 8.270 nan 0.000 0.430 797 I N 0.930 121.457 120.570 -0.072 0.000 2.286 797 I HA -0.259 3.913 4.170 0.004 0.000 0.248 797 I C 2.435 178.528 176.117 -0.041 0.000 1.115 797 I CA 0.979 62.294 61.300 0.025 0.000 1.392 797 I CB -0.438 37.643 38.000 0.136 0.000 1.065 797 I HN 0.133 nan 8.210 nan 0.000 0.418 798 A N 0.790 123.571 122.820 -0.065 0.000 1.930 798 A HA -0.173 4.149 4.320 0.004 0.000 0.217 798 A C 2.344 179.794 177.584 -0.224 0.000 1.175 798 A CA 1.371 53.256 52.037 -0.253 0.000 0.627 798 A CB -0.356 18.560 19.000 -0.139 0.000 0.815 798 A HN 0.299 nan 8.150 nan 0.000 0.443 799 K N -0.782 119.530 120.400 -0.148 0.000 2.097 799 K HA -0.083 4.239 4.320 0.004 0.000 0.205 799 K C 2.106 178.688 176.600 -0.029 0.000 1.050 799 K CA 1.029 57.266 56.287 -0.084 0.000 0.938 799 K CB -0.347 32.083 32.500 -0.116 0.000 0.718 799 K HN 0.471 nan 8.250 nan 0.000 0.442 800 G N 0.999 109.776 108.800 -0.038 0.000 2.402 800 G HA2 -0.204 3.759 3.960 0.004 0.000 0.216 800 G HA3 -0.204 3.759 3.960 0.004 0.000 0.216 800 G C 1.450 176.331 174.900 -0.030 0.000 1.162 800 G CA 0.397 45.525 45.100 0.048 0.000 0.777 800 G HN 0.054 nan 8.290 nan 0.000 0.539 801 M N 0.855 120.278 119.600 -0.294 0.000 2.175 801 M HA -0.000 4.482 4.480 0.004 0.000 0.264 801 M C 2.139 178.141 176.300 -0.497 0.000 1.063 801 M CA 0.937 55.870 55.300 -0.612 0.000 1.119 801 M CB -1.228 30.452 32.600 -1.534 0.000 1.377 801 M HN 0.331 nan 8.290 nan 0.000 0.415 802 N N 0.087 118.585 118.700 -0.337 0.000 2.188 802 N HA -0.206 4.537 4.740 0.004 0.000 0.184 802 N C 1.707 177.225 175.510 0.013 0.000 1.018 802 N CA 1.107 54.119 53.050 -0.063 0.000 0.858 802 N CB -0.258 38.239 38.487 0.016 0.000 0.989 802 N HN 0.325 nan 8.380 nan 0.000 0.426 803 Y N 0.831 121.088 120.300 -0.071 0.000 2.145 803 Y HA -0.058 4.494 4.550 0.003 0.000 0.286 803 Y C 1.802 177.685 175.900 -0.028 0.000 1.145 803 Y CA 1.484 59.569 58.100 -0.027 0.000 1.148 803 Y CB -0.358 38.105 38.460 0.005 0.000 0.981 803 Y HN 0.081 nan 8.280 nan 0.000 0.507 804 L N 0.206 121.427 121.223 -0.005 0.000 2.079 804 L HA -0.240 4.102 4.340 0.004 0.000 0.210 804 L C 2.567 179.354 176.870 -0.139 0.000 1.081 804 L CA 1.809 56.589 54.840 -0.099 0.000 0.752 804 L CB -0.628 41.420 42.059 -0.018 0.000 0.896 804 L HN 0.329 nan 8.230 nan 0.000 0.433 805 E N 0.133 120.246 120.200 -0.144 0.000 2.085 805 E HA -0.248 4.104 4.350 0.004 0.000 0.194 805 E C 1.701 178.116 176.600 -0.308 0.000 0.994 805 E CA 1.509 57.704 56.400 -0.342 0.000 0.801 805 E CB 0.057 29.621 29.700 -0.226 0.000 0.743 805 E HN 0.464 nan 8.360 nan 0.000 0.453 806 D N -0.146 120.122 120.400 -0.220 0.000 2.178 806 D HA -0.122 4.520 4.640 0.004 0.000 0.201 806 D C 1.476 177.651 176.300 -0.208 0.000 0.980 806 D CA 0.929 54.814 54.000 -0.191 0.000 0.842 806 D CB -0.103 40.602 40.800 -0.159 0.000 0.948 806 D HN 0.080 nan 8.370 nan 0.000 0.472 807 R N 0.120 120.449 120.500 -0.284 0.000 2.320 807 R HA 0.227 4.569 4.340 0.004 0.000 0.211 807 R C 0.077 176.333 176.300 -0.074 0.000 0.931 807 R CA -0.145 55.834 56.100 -0.202 0.000 1.071 807 R CB 0.326 30.453 30.300 -0.289 0.000 1.025 807 R HN 0.047 nan 8.270 nan 0.000 0.495 808 R N 0.518 120.989 120.500 -0.049 0.000 3.525 808 R HA -0.169 4.173 4.340 0.004 0.000 0.276 808 R C -0.904 175.499 176.300 0.172 0.000 1.116 808 R CA 0.570 56.734 56.100 0.107 0.000 0.745 808 R CB -2.236 28.120 30.300 0.093 0.000 1.185 808 R HN 0.221 nan 8.270 nan 0.000 0.454 809 L N 0.788 122.088 121.223 0.130 0.000 2.272 809 L HA 0.417 4.759 4.340 0.004 0.000 0.289 809 L C 0.542 177.440 176.870 0.046 0.000 1.032 809 L CA -0.958 53.899 54.840 0.029 0.000 0.810 809 L CB 1.846 43.851 42.059 -0.090 0.000 1.205 809 L HN -0.185 nan 8.230 nan 0.000 0.422 810 V N 2.975 122.848 119.914 -0.068 0.000 2.406 810 V HA 0.061 4.183 4.120 0.004 0.000 0.272 810 V C 1.099 177.099 176.094 -0.157 0.000 1.043 810 V CA -0.409 61.841 62.300 -0.083 0.000 0.915 810 V CB 0.977 32.718 31.823 -0.136 0.000 0.988 810 V HN 0.755 nan 8.190 nan 0.000 0.466 811 H N 5.358 124.310 119.070 -0.197 0.000 2.299 811 H HA -0.064 4.495 4.556 0.004 0.000 0.302 811 H C 1.635 176.901 175.328 -0.102 0.000 1.078 811 H CA 2.251 58.127 56.048 -0.288 0.000 1.323 811 H CB 0.347 30.022 29.762 -0.145 0.000 1.381 811 H HN 0.745 nan 8.280 nan 0.000 0.498 812 R N -1.022 119.629 120.500 0.250 0.000 3.653 812 R HA -0.166 4.176 4.340 0.004 0.000 0.485 812 R C -0.421 176.050 176.300 0.285 0.000 0.840 812 R CA 1.209 57.435 56.100 0.211 0.000 1.409 812 R CB -1.414 28.798 30.300 -0.147 0.000 2.089 812 R HN 0.334 nan 8.270 nan 0.000 0.482 813 D N 0.120 120.791 120.400 0.451 0.000 3.216 813 D HA 0.132 4.774 4.640 0.004 0.000 0.348 813 D C -1.157 175.179 176.300 0.060 0.000 1.407 813 D CA -0.431 53.722 54.000 0.255 0.000 0.744 813 D CB 0.347 41.263 40.800 0.194 0.000 1.264 813 D HN 0.058 nan 8.370 nan 0.000 0.543 814 L N 1.533 122.699 121.223 -0.095 0.000 2.410 814 L HA 0.655 4.998 4.340 0.004 0.000 0.273 814 L C -0.487 176.377 176.870 -0.010 0.000 1.144 814 L CA 0.358 55.051 54.840 -0.244 0.000 0.863 814 L CB 0.532 42.517 42.059 -0.124 0.000 1.140 814 L HN 0.206 nan 8.230 nan 0.000 0.463 815 A N 3.907 126.689 122.820 -0.064 0.000 2.610 815 A HA 0.725 5.047 4.320 0.004 0.000 0.291 815 A C 0.533 178.144 177.584 0.046 0.000 1.086 815 A CA -0.166 51.872 52.037 0.002 0.000 0.677 815 A CB 0.536 19.249 19.000 -0.477 0.000 1.278 815 A HN 1.046 nan 8.150 nan 0.000 0.414 816 A N 0.503 123.419 122.820 0.160 0.000 1.940 816 A HA -0.157 4.165 4.320 0.004 0.000 0.219 816 A C 1.939 179.536 177.584 0.022 0.000 1.176 816 A CA 2.060 54.150 52.037 0.087 0.000 0.631 816 A CB -0.630 18.455 19.000 0.142 0.000 0.814 816 A HN 1.069 nan 8.150 nan 0.000 0.446 817 R N -0.980 119.530 120.500 0.015 0.000 2.237 817 R HA -0.009 4.333 4.340 0.004 0.000 0.219 817 R C 0.182 176.459 176.300 -0.037 0.000 1.080 817 R CA 1.460 57.550 56.100 -0.016 0.000 0.995 817 R CB -0.380 29.902 30.300 -0.030 0.000 0.875 817 R HN 0.304 nan 8.270 nan 0.000 0.462 818 N N 0.793 119.469 118.700 -0.040 0.000 2.273 818 N HA 0.160 4.902 4.740 0.004 0.000 0.231 818 N C -1.219 174.283 175.510 -0.013 0.000 1.134 818 N CA 0.015 53.057 53.050 -0.013 0.000 0.856 818 N CB 1.354 39.846 38.487 0.010 0.000 1.068 818 N HN -0.031 nan 8.380 nan 0.000 0.510 819 V N 1.285 121.169 119.914 -0.049 0.000 2.680 819 V HA 0.529 4.651 4.120 0.004 0.000 0.309 819 V C -0.115 175.905 176.094 -0.123 0.000 1.052 819 V CA -0.789 61.468 62.300 -0.072 0.000 0.908 819 V CB 2.646 34.408 31.823 -0.102 0.000 1.001 819 V HN -0.046 nan 8.190 nan 0.000 0.431 820 L N 3.548 124.695 121.223 -0.127 0.000 2.354 820 L HA 0.647 4.989 4.340 0.004 0.000 0.269 820 L C -0.652 176.100 176.870 -0.197 0.000 1.005 820 L CA -1.078 53.657 54.840 -0.175 0.000 0.819 820 L CB 2.220 44.187 42.059 -0.153 0.000 1.311 820 L HN 0.315 nan 8.230 nan 0.000 0.423 821 V N 2.250 122.021 119.914 -0.238 0.000 2.339 821 V HA 0.066 4.189 4.120 0.004 0.000 0.261 821 V C 1.077 177.161 176.094 -0.016 0.000 1.058 821 V CA -0.238 61.923 62.300 -0.231 0.000 0.897 821 V CB 0.770 32.313 31.823 -0.467 0.000 1.052 821 V HN 0.802 nan 8.190 nan 0.000 0.480 822 K N 3.895 124.281 120.400 -0.024 0.000 2.025 822 K HA -0.048 4.274 4.320 0.004 0.000 0.207 822 K C 0.899 177.634 176.600 0.224 0.000 1.049 822 K CA 1.646 57.928 56.287 -0.010 0.000 0.933 822 K CB 0.230 32.579 32.500 -0.251 0.000 0.714 822 K HN 0.803 nan 8.250 nan 0.000 0.438 823 T N -4.408 110.262 114.554 0.194 0.000 2.816 823 T HA 0.321 4.673 4.350 0.004 0.000 0.299 823 T C -2.531 172.154 174.700 -0.025 0.000 1.230 823 T CA -1.651 60.534 62.100 0.141 0.000 1.007 823 T CB 1.596 70.567 68.868 0.172 0.000 1.289 823 T HN -0.232 nan 8.240 nan 0.000 0.508 824 P HA -0.052 nan 4.420 nan 0.000 0.219 824 P C 0.937 178.501 177.300 0.439 0.000 1.146 824 P CA 1.242 64.339 63.100 -0.005 0.000 0.808 824 P CB -0.076 31.547 31.700 -0.128 0.000 0.779 825 Q N -2.775 117.260 119.800 0.391 0.000 2.247 825 Q HA 0.128 4.470 4.340 0.004 0.000 0.211 825 Q C 0.248 176.469 176.000 0.368 0.000 0.861 825 Q CA -0.023 56.022 55.803 0.402 0.000 0.949 825 Q CB -0.061 28.804 28.738 0.212 0.000 1.115 825 Q HN 0.343 nan 8.270 nan 0.000 0.507 826 H N 0.773 119.986 119.070 0.238 0.000 2.589 826 H HA 0.517 5.075 4.556 0.004 0.000 0.335 826 H C -1.180 174.217 175.328 0.116 0.000 1.019 826 H CA -1.160 55.004 56.048 0.193 0.000 1.213 826 H CB 1.528 31.359 29.762 0.115 0.000 1.472 826 H HN 0.085 nan 8.280 nan 0.000 0.508 827 V N 1.886 122.059 119.914 0.431 0.000 2.864 827 V HA 0.655 4.777 4.120 0.004 0.000 0.314 827 V C -0.887 175.379 176.094 0.286 0.000 1.073 827 V CA -0.979 61.422 62.300 0.169 0.000 0.956 827 V CB 2.102 33.869 31.823 -0.093 0.000 1.023 827 V HN 0.720 nan 8.190 nan 0.000 0.435 828 K N 3.042 123.504 120.400 0.102 0.000 2.468 828 K HA 0.657 4.979 4.320 0.004 0.000 0.252 828 K C -1.275 175.360 176.600 0.057 0.000 0.932 828 K CA -0.628 55.721 56.287 0.103 0.000 0.794 828 K CB 2.750 35.266 32.500 0.027 0.000 1.241 828 K HN 0.702 nan 8.250 nan 0.000 0.428 829 I N 2.085 122.714 120.570 0.099 0.000 2.471 829 I HA 0.021 4.193 4.170 0.004 0.000 0.286 829 I C 0.896 177.104 176.117 0.152 0.000 1.079 829 I CA 0.003 61.370 61.300 0.112 0.000 1.398 829 I CB 1.159 39.247 38.000 0.147 0.000 1.403 829 I HN 0.589 nan 8.210 nan 0.000 0.530 830 T N 3.765 118.400 114.554 0.135 0.000 2.904 830 T HA 0.141 4.493 4.350 0.004 0.000 0.290 830 T C -0.024 174.793 174.700 0.195 0.000 1.018 830 T CA -0.765 61.399 62.100 0.106 0.000 1.075 830 T CB 0.332 69.224 68.868 0.040 0.000 0.986 830 T HN 0.527 nan 8.240 nan 0.000 0.523 831 D N 2.265 122.680 120.400 0.025 0.000 2.601 831 D HA 0.061 4.703 4.640 0.004 0.000 0.229 831 D C 0.104 176.333 176.300 -0.119 0.000 1.140 831 D CA 0.720 54.588 54.000 -0.221 0.000 0.862 831 D CB -0.104 40.476 40.800 -0.367 0.000 1.192 831 D HN 0.608 nan 8.370 nan 0.000 0.480 832 F N 0.050 119.877 119.950 -0.205 0.000 2.652 832 F HA 0.550 5.079 4.527 0.004 0.000 0.352 832 F C 1.103 176.806 175.800 -0.163 0.000 1.259 832 F CA -0.604 57.203 58.000 -0.321 0.000 1.249 832 F CB -0.211 38.423 39.000 -0.609 0.000 1.628 832 F HN 0.298 nan 8.300 nan 0.000 0.654 853 P HA 0.464 nan 4.420 nan 0.000 0.247 853 P C 1.162 178.638 177.300 0.294 0.000 1.756 853 P CA -0.325 62.865 63.100 0.150 0.000 1.117 853 P CB 0.713 32.405 31.700 -0.014 0.000 1.869 854 I N 1.781 122.477 120.570 0.209 0.000 2.185 854 I HA -0.251 3.922 4.170 0.004 0.000 0.246 854 I C 1.785 177.985 176.117 0.138 0.000 1.088 854 I CA 1.593 62.962 61.300 0.116 0.000 1.347 854 I CB -0.757 37.262 38.000 0.032 0.000 1.041 854 I HN 0.302 nan 8.210 nan 0.000 0.415 855 K N -1.099 119.475 120.400 0.291 0.000 2.439 855 K HA -0.128 4.194 4.320 0.004 0.000 0.197 855 K C 1.765 178.360 176.600 -0.010 0.000 1.041 855 K CA 0.729 57.061 56.287 0.075 0.000 0.970 855 K CB 0.026 32.498 32.500 -0.046 0.000 0.773 855 K HN 0.445 nan 8.250 nan 0.000 0.479 856 W N 0.124 121.514 121.300 0.149 0.000 3.103 856 W HA 0.246 4.909 4.660 0.006 0.000 0.325 856 W C 0.216 176.848 176.519 0.189 0.000 1.170 856 W CA -0.575 56.906 57.345 0.226 0.000 1.712 856 W CB 0.234 29.816 29.460 0.204 0.000 1.068 856 W HN -0.002 nan 8.180 nan 0.000 0.592 857 M N 0.666 120.397 119.600 0.218 0.000 2.242 857 M HA 0.321 4.804 4.480 0.004 0.000 0.344 857 M C 0.717 176.599 176.300 -0.696 0.000 1.140 857 M CA -0.082 55.163 55.300 -0.092 0.000 1.160 857 M CB 0.924 33.466 32.600 -0.096 0.000 1.491 857 M HN -0.239 nan 8.290 nan 0.000 0.459 858 A N 2.001 124.291 122.820 -0.882 0.000 2.425 858 A HA 0.168 4.491 4.320 0.004 0.000 0.242 858 A C 0.805 177.777 177.584 -1.019 0.000 1.077 858 A CA -0.499 50.678 52.037 -1.432 0.000 0.781 858 A CB 0.192 18.804 19.000 -0.646 0.000 1.020 858 A HN 0.985 nan 8.150 nan 0.000 0.494 859 L N 0.950 121.537 121.223 -1.061 0.000 2.012 859 L HA -0.172 4.170 4.340 0.004 0.000 0.210 859 L C 2.577 179.185 176.870 -0.435 0.000 1.073 859 L CA 2.798 57.287 54.840 -0.585 0.000 0.748 859 L CB -0.658 41.180 42.059 -0.367 0.000 0.891 859 L HN 0.899 nan 8.230 nan 0.000 0.431 860 E N -0.958 119.032 120.200 -0.351 0.000 2.160 860 E HA -0.194 4.158 4.350 0.004 0.000 0.195 860 E C 1.892 178.297 176.600 -0.324 0.000 0.991 860 E CA 1.638 57.892 56.400 -0.244 0.000 0.810 860 E CB -0.661 28.987 29.700 -0.087 0.000 0.742 860 E HN 0.581 nan 8.360 nan 0.000 0.466 861 S N 1.101 116.531 115.700 -0.450 0.000 2.355 861 S HA -0.006 4.466 4.470 0.004 0.000 0.222 861 S C 2.149 176.499 174.600 -0.417 0.000 1.031 861 S CA 1.081 58.912 58.200 -0.615 0.000 0.993 861 S CB -0.248 62.449 63.200 -0.839 0.000 0.859 861 S HN 0.244 nan 8.310 nan 0.000 0.453 862 I N 1.359 121.709 120.570 -0.367 0.000 2.179 862 I HA -0.165 4.007 4.170 0.004 0.000 0.242 862 I C 2.085 178.040 176.117 -0.269 0.000 1.088 862 I CA 1.122 62.262 61.300 -0.267 0.000 1.357 862 I CB -0.320 37.517 38.000 -0.272 0.000 1.051 862 I HN 0.217 nan 8.210 nan 0.000 0.409 863 L N -0.413 120.572 121.223 -0.398 0.000 2.044 863 L HA -0.139 4.204 4.340 0.004 0.000 0.205 863 L C 1.731 178.307 176.870 -0.490 0.000 1.075 863 L CA 1.184 55.698 54.840 -0.543 0.000 0.747 863 L CB -0.429 41.108 42.059 -0.870 0.000 0.903 863 L HN 0.414 nan 8.230 nan 0.000 0.435 864 H N -1.190 117.815 119.070 -0.109 0.000 2.785 864 H HA 0.267 4.825 4.556 0.004 0.000 0.268 864 H C 0.224 175.514 175.328 -0.063 0.000 1.153 864 H CA -0.293 55.709 56.048 -0.075 0.000 1.111 864 H CB 0.707 30.426 29.762 -0.072 0.000 1.633 864 H HN 0.079 nan 8.280 nan 0.000 0.576 865 R N 0.262 120.750 120.500 -0.021 0.000 3.946 865 R HA -0.162 4.180 4.340 0.004 0.000 0.329 865 R C -0.044 176.277 176.300 0.035 0.000 1.209 865 R CA 0.280 56.401 56.100 0.036 0.000 0.909 865 R CB -2.680 27.704 30.300 0.140 0.000 1.355 865 R HN 0.403 nan 8.270 nan 0.000 0.539 866 I N 1.374 121.895 120.570 -0.081 0.000 2.598 866 I HA -0.038 4.135 4.170 0.004 0.000 0.284 866 I C 0.345 176.314 176.117 -0.247 0.000 1.140 866 I CA 0.599 61.863 61.300 -0.060 0.000 1.420 866 I CB 0.120 38.100 38.000 -0.035 0.000 1.387 866 I HN -0.104 nan 8.210 nan 0.000 0.553 867 Y N 4.242 124.528 120.300 -0.023 0.000 2.361 867 Y HA 0.538 5.090 4.550 0.004 0.000 0.337 867 Y C 0.380 176.236 175.900 -0.072 0.000 0.965 867 Y CA -0.697 57.383 58.100 -0.034 0.000 1.091 867 Y CB 2.145 40.587 38.460 -0.029 0.000 1.182 867 Y HN 0.590 nan 8.280 nan 0.000 0.450 868 T N -2.938 111.644 114.554 0.047 0.000 2.812 868 T HA 0.265 4.617 4.350 0.004 0.000 0.294 868 T C 0.394 175.054 174.700 -0.067 0.000 1.159 868 T CA -0.867 61.183 62.100 -0.084 0.000 1.008 868 T CB 1.192 70.047 68.868 -0.022 0.000 1.289 868 T HN 0.662 nan 8.240 nan 0.000 0.514 869 H N 0.155 119.300 119.070 0.124 0.000 2.457 869 H HA -0.058 4.500 4.556 0.003 0.000 0.297 869 H C 1.844 177.239 175.328 0.113 0.000 1.092 869 H CA 1.475 57.625 56.048 0.170 0.000 1.309 869 H CB 0.069 29.923 29.762 0.153 0.000 1.382 869 H HN 0.467 nan 8.280 nan 0.000 0.535 870 Q N 0.458 120.344 119.800 0.144 0.000 2.245 870 Q HA -0.050 4.293 4.340 0.004 0.000 0.201 870 Q C 2.495 178.572 176.000 0.128 0.000 0.955 870 Q CA 1.021 56.866 55.803 0.071 0.000 0.870 870 Q CB -0.146 28.625 28.738 0.055 0.000 0.945 870 Q HN 0.551 nan 8.270 nan 0.000 0.461 871 S N 0.556 116.329 115.700 0.123 0.000 2.406 871 S HA -0.119 4.353 4.470 0.004 0.000 0.228 871 S C 1.407 176.166 174.600 0.264 0.000 1.020 871 S CA 1.033 59.310 58.200 0.130 0.000 0.965 871 S CB -0.053 63.144 63.200 -0.006 0.000 0.798 871 S HN 0.114 nan 8.310 nan 0.000 0.488 872 D N 1.429 122.008 120.400 0.299 0.000 2.178 872 D HA -0.015 4.628 4.640 0.004 0.000 0.201 872 D C 2.046 178.656 176.300 0.517 0.000 0.980 872 D CA 0.827 55.083 54.000 0.427 0.000 0.842 872 D CB -0.386 40.723 40.800 0.515 0.000 0.948 872 D HN 0.331 nan 8.370 nan 0.000 0.472 873 V N 0.718 120.790 119.914 0.264 0.000 2.343 873 V HA -0.198 3.924 4.120 0.004 0.000 0.247 873 V C 2.179 178.475 176.094 0.338 0.000 1.051 873 V CA 1.200 63.540 62.300 0.066 0.000 1.036 873 V CB -0.401 31.231 31.823 -0.319 0.000 0.654 873 V HN 0.390 nan 8.190 nan 0.000 0.451 874 W N 1.018 122.445 121.300 0.212 0.000 2.335 874 W HA -0.198 4.464 4.660 0.004 0.000 0.311 874 W C 2.557 179.347 176.519 0.452 0.000 1.213 874 W CA 2.139 59.698 57.345 0.357 0.000 1.274 874 W CB -0.629 29.009 29.460 0.297 0.000 1.148 874 W HN 0.305 nan 8.180 nan 0.000 0.498 875 S N -0.232 115.923 115.700 0.758 0.000 2.368 875 S HA -0.265 4.207 4.470 0.004 0.000 0.225 875 S C 1.529 176.474 174.600 0.575 0.000 1.030 875 S CA 1.635 60.234 58.200 0.666 0.000 0.999 875 S CB -1.056 62.458 63.200 0.524 0.000 0.844 875 S HN 0.429 nan 8.310 nan 0.000 0.459 876 Y N 2.400 122.947 120.300 0.412 0.000 2.165 876 Y HA -0.137 4.415 4.550 0.004 0.000 0.286 876 Y C 2.323 178.387 175.900 0.274 0.000 1.155 876 Y CA 1.384 59.682 58.100 0.330 0.000 1.164 876 Y CB -0.932 37.787 38.460 0.431 0.000 0.978 876 Y HN 0.219 nan 8.280 nan 0.000 0.513 877 G N -0.348 108.650 108.800 0.330 0.000 2.446 877 G HA2 -0.265 3.697 3.960 0.004 0.000 0.217 877 G HA3 -0.265 3.697 3.960 0.004 0.000 0.217 877 G C 1.684 176.832 174.900 0.413 0.000 1.168 877 G CA 1.545 46.710 45.100 0.109 0.000 0.771 877 G HN 0.372 nan 8.290 nan 0.000 0.551 878 V N 0.971 121.239 119.914 0.590 0.000 2.343 878 V HA -0.192 3.930 4.120 0.004 0.000 0.247 878 V C 3.180 179.474 176.094 0.334 0.000 1.051 878 V CA 2.416 64.938 62.300 0.371 0.000 1.036 878 V CB -0.825 31.040 31.823 0.069 0.000 0.654 878 V HN 0.598 nan 8.190 nan 0.000 0.451 879 T N -0.865 113.881 114.554 0.320 0.000 2.821 879 T HA -0.144 4.208 4.350 0.004 0.000 0.267 879 T C 1.856 176.614 174.700 0.096 0.000 1.046 879 T CA 1.839 64.094 62.100 0.258 0.000 1.139 879 T CB -0.198 68.803 68.868 0.222 0.000 0.871 879 T HN 0.219 nan 8.240 nan 0.000 0.454 880 V N -0.101 119.776 119.914 -0.060 0.000 2.332 880 V HA -0.088 4.034 4.120 0.004 0.000 0.248 880 V C 2.102 178.251 176.094 0.091 0.000 1.055 880 V CA 2.035 64.266 62.300 -0.115 0.000 1.038 880 V CB -0.881 30.786 31.823 -0.260 0.000 0.651 880 V HN 0.737 nan 8.190 nan 0.000 0.450 881 W N 1.195 122.521 121.300 0.044 0.000 2.338 881 W HA -0.193 4.467 4.660 0.000 0.000 0.304 881 W C 2.422 178.947 176.519 0.010 0.000 1.212 881 W CA 2.106 59.498 57.345 0.079 0.000 1.264 881 W CB -0.107 29.454 29.460 0.168 0.000 1.142 881 W HN 0.300 nan 8.180 nan 0.000 0.512 882 E N 0.090 120.469 120.200 0.298 0.000 2.085 882 E HA -0.282 4.071 4.350 0.004 0.000 0.194 882 E C 2.166 178.728 176.600 -0.064 0.000 0.994 882 E CA 1.926 58.404 56.400 0.129 0.000 0.801 882 E CB -0.738 29.122 29.700 0.267 0.000 0.743 882 E HN 0.373 nan 8.360 nan 0.000 0.453 883 L N 0.179 121.375 121.223 -0.045 0.000 2.017 883 L HA -0.191 4.151 4.340 0.004 0.000 0.208 883 L C 2.526 179.187 176.870 -0.349 0.000 1.073 883 L CA 0.742 55.523 54.840 -0.098 0.000 0.745 883 L CB -0.401 41.664 42.059 0.010 0.000 0.894 883 L HN 0.220 nan 8.230 nan 0.000 0.432 884 M N -0.285 119.114 119.600 -0.335 0.000 2.358 884 M HA -0.102 4.381 4.480 0.004 0.000 0.264 884 M C 2.084 178.013 176.300 -0.618 0.000 1.064 884 M CA 1.721 56.751 55.300 -0.450 0.000 1.093 884 M CB -1.498 30.957 32.600 -0.242 0.000 1.401 884 M HN 0.409 nan 8.290 nan 0.000 0.440 885 T N -4.198 109.990 114.554 -0.610 0.000 3.122 885 T HA 0.175 4.527 4.350 0.004 0.000 0.250 885 T C 0.413 175.014 174.700 -0.166 0.000 1.067 885 T CA -0.438 61.368 62.100 -0.490 0.000 0.966 885 T CB -0.657 67.707 68.868 -0.840 0.000 1.002 885 T HN 0.225 nan 8.240 nan 0.000 0.542 886 F N 1.602 121.490 119.950 -0.104 0.000 3.090 886 F HA -0.090 4.438 4.527 0.002 0.000 0.282 886 F C 1.419 177.210 175.800 -0.016 0.000 0.923 886 F CA 0.863 58.851 58.000 -0.020 0.000 0.977 886 F CB -2.188 36.805 39.000 -0.011 0.000 0.954 886 F HN 0.629 nan 8.300 nan 0.000 0.695 887 G N -0.695 108.139 108.800 0.057 0.000 2.138 887 G HA2 -0.117 3.845 3.960 0.004 0.000 0.193 887 G HA3 -0.117 3.845 3.960 0.004 0.000 0.193 887 G C 0.276 175.227 174.900 0.085 0.000 0.998 887 G CA 0.064 45.222 45.100 0.096 0.000 0.668 887 G HN 0.891 nan 8.290 nan 0.000 0.516 888 S N -0.150 115.548 115.700 -0.003 0.000 2.566 888 S HA 0.409 4.882 4.470 0.004 0.000 0.280 888 S C 0.802 175.531 174.600 0.214 0.000 1.343 888 S CA 0.516 58.738 58.200 0.036 0.000 1.036 888 S CB 0.328 63.437 63.200 -0.151 0.000 0.866 888 S HN 0.421 nan 8.310 nan 0.000 0.526 889 K N 4.132 124.673 120.400 0.234 0.000 2.201 889 K HA 0.380 4.702 4.320 0.004 0.000 0.278 889 K C -2.358 174.357 176.600 0.193 0.000 1.027 889 K CA -1.806 54.620 56.287 0.232 0.000 0.909 889 K CB 0.762 33.369 32.500 0.178 0.000 1.062 889 K HN 0.472 nan 8.250 nan 0.000 0.465 890 P HA -0.042 nan 4.420 nan 0.000 0.271 890 P C -0.963 176.110 177.300 -0.378 0.000 1.216 890 P CA 0.081 62.837 63.100 -0.573 0.000 0.771 890 P CB 0.148 31.323 31.700 -0.874 0.000 0.864 891 Y N -1.029 119.065 120.300 -0.343 0.000 3.078 891 Y HA -0.248 4.304 4.550 0.004 0.000 0.202 891 Y C 0.625 176.470 175.900 -0.091 0.000 1.322 891 Y CA 0.183 58.155 58.100 -0.214 0.000 1.118 891 Y CB -2.478 35.841 38.460 -0.235 0.000 1.343 891 Y HN 0.365 nan 8.280 nan 0.000 0.499 892 D N 0.777 121.200 120.400 0.038 0.000 2.417 892 D HA 0.386 5.028 4.640 0.004 0.000 0.250 892 D C 1.213 177.551 176.300 0.065 0.000 1.166 892 D CA 1.743 55.783 54.000 0.067 0.000 0.881 892 D CB 0.740 41.585 40.800 0.076 0.000 1.164 892 D HN 0.616 nan 8.370 nan 0.000 0.467 893 G N 3.308 112.147 108.800 0.066 0.000 2.166 893 G HA2 -0.289 3.673 3.960 0.004 0.000 0.260 893 G HA3 -0.289 3.673 3.960 0.004 0.000 0.260 893 G C 0.499 175.426 174.900 0.044 0.000 0.986 893 G CA 0.279 45.411 45.100 0.053 0.000 0.683 893 G HN 0.560 nan 8.290 nan 0.000 0.527 894 I N 1.762 122.363 120.570 0.052 0.000 2.395 894 I HA 0.283 4.455 4.170 0.004 0.000 0.289 894 I C -1.649 174.477 176.117 0.014 0.000 1.023 894 I CA -2.289 59.029 61.300 0.031 0.000 1.350 894 I CB 1.150 39.171 38.000 0.035 0.000 1.409 894 I HN -0.134 nan 8.210 nan 0.000 0.507 895 P HA 0.013 nan 4.420 nan 0.000 0.266 895 P C 0.358 177.639 177.300 -0.030 0.000 1.195 895 P CA -0.040 63.057 63.100 -0.006 0.000 0.768 895 P CB 0.856 32.550 31.700 -0.009 0.000 0.838 896 A N 3.113 125.921 122.820 -0.020 0.000 1.917 896 A HA -0.235 4.088 4.320 0.004 0.000 0.219 896 A C 2.199 179.744 177.584 -0.066 0.000 1.182 896 A CA 2.466 54.479 52.037 -0.040 0.000 0.633 896 A CB -1.777 17.220 19.000 -0.006 0.000 0.819 896 A HN 0.630 nan 8.150 nan 0.000 0.448 897 S N -0.723 114.949 115.700 -0.046 0.000 2.419 897 S HA -0.086 4.386 4.470 0.004 0.000 0.235 897 S C 1.719 176.279 174.600 -0.068 0.000 1.019 897 S CA 1.809 59.978 58.200 -0.051 0.000 0.982 897 S CB -0.714 62.466 63.200 -0.033 0.000 0.789 897 S HN 0.884 nan 8.310 nan 0.000 0.490 898 E N 0.920 121.077 120.200 -0.071 0.000 2.299 898 E HA 0.234 4.587 4.350 0.004 0.000 0.193 898 E C 1.733 178.256 176.600 -0.128 0.000 0.998 898 E CA 0.756 57.108 56.400 -0.081 0.000 0.851 898 E CB -0.820 28.845 29.700 -0.058 0.000 0.795 898 E HN 0.504 nan 8.360 nan 0.000 0.492 899 I N 1.429 121.892 120.570 -0.179 0.000 2.151 899 I HA -0.264 3.908 4.170 0.004 0.000 0.243 899 I C 2.748 178.709 176.117 -0.261 0.000 1.080 899 I CA 1.844 62.963 61.300 -0.301 0.000 1.339 899 I CB -0.670 37.095 38.000 -0.392 0.000 1.039 899 I HN 0.353 nan 8.210 nan 0.000 0.409 900 S N -0.340 115.238 115.700 -0.203 0.000 2.359 900 S HA -0.244 4.228 4.470 0.004 0.000 0.223 900 S C 2.319 176.837 174.600 -0.137 0.000 1.039 900 S CA 2.259 60.349 58.200 -0.182 0.000 1.042 900 S CB -0.383 62.720 63.200 -0.163 0.000 0.915 900 S HN 0.532 nan 8.310 nan 0.000 0.439 901 S N 1.289 116.923 115.700 -0.109 0.000 2.356 901 S HA -0.001 4.471 4.470 0.004 0.000 0.223 901 S C 1.806 176.367 174.600 -0.065 0.000 1.032 901 S CA 1.460 59.615 58.200 -0.075 0.000 1.005 901 S CB -0.562 62.602 63.200 -0.060 0.000 0.867 901 S HN 0.542 nan 8.310 nan 0.000 0.449 902 I N 1.139 121.659 120.570 -0.083 0.000 2.248 902 I HA -0.216 3.956 4.170 0.004 0.000 0.248 902 I C 1.954 178.042 176.117 -0.049 0.000 1.107 902 I CA 0.874 62.134 61.300 -0.067 0.000 1.373 902 I CB -0.265 37.675 38.000 -0.100 0.000 1.055 902 I HN 0.214 nan 8.210 nan 0.000 0.418 903 L N 0.263 121.441 121.223 -0.075 0.000 2.056 903 L HA -0.193 4.149 4.340 0.004 0.000 0.207 903 L C 2.433 179.318 176.870 0.026 0.000 1.078 903 L CA 1.776 56.613 54.840 -0.005 0.000 0.749 903 L CB -0.964 41.084 42.059 -0.019 0.000 0.901 903 L HN 0.303 nan 8.230 nan 0.000 0.433 904 E N -0.623 119.571 120.200 -0.010 0.000 2.208 904 E HA -0.173 4.179 4.350 0.004 0.000 0.193 904 E C 1.662 178.269 176.600 0.011 0.000 0.988 904 E CA 0.633 57.034 56.400 0.001 0.000 0.828 904 E CB -0.085 29.603 29.700 -0.021 0.000 0.763 904 E HN 0.456 nan 8.360 nan 0.000 0.478 905 K N -0.093 120.310 120.400 0.005 0.000 2.487 905 K HA 0.071 4.393 4.320 0.004 0.000 0.192 905 K C 0.901 177.516 176.600 0.024 0.000 1.027 905 K CA 0.443 56.737 56.287 0.011 0.000 1.054 905 K CB 0.563 33.064 32.500 0.003 0.000 0.824 905 K HN 0.226 nan 8.250 nan 0.000 0.510 906 G N 2.013 110.834 108.800 0.035 0.000 2.132 906 G HA2 -0.297 3.665 3.960 0.004 0.000 0.234 906 G HA3 -0.297 3.665 3.960 0.004 0.000 0.234 906 G C -0.274 174.655 174.900 0.050 0.000 0.989 906 G CA -0.068 45.062 45.100 0.049 0.000 0.676 906 G HN 0.415 nan 8.290 nan 0.000 0.522 907 E N 0.154 120.378 120.200 0.041 0.000 2.366 907 E HA 0.611 4.963 4.350 0.004 0.000 0.266 907 E C 0.663 177.288 176.600 0.042 0.000 1.051 907 E CA -0.487 55.939 56.400 0.044 0.000 0.884 907 E CB 0.455 30.178 29.700 0.038 0.000 1.006 907 E HN 0.220 nan 8.360 nan 0.000 0.417 908 R N 2.200 122.715 120.500 0.025 0.000 2.831 908 R HA 0.408 4.750 4.340 0.004 0.000 0.266 908 R C -0.769 175.407 176.300 -0.207 0.000 1.051 908 R CA -1.007 55.037 56.100 -0.094 0.000 0.943 908 R CB 0.447 30.754 30.300 0.011 0.000 1.228 908 R HN 0.557 nan 8.270 nan 0.000 0.467 909 L N 3.882 124.716 121.223 -0.647 0.000 2.485 909 L HA 0.156 4.498 4.340 0.004 0.000 0.275 909 L C -1.585 175.257 176.870 -0.047 0.000 1.207 909 L CA -1.124 53.246 54.840 -0.784 0.000 0.855 909 L CB 0.231 41.237 42.059 -1.756 0.000 1.114 909 L HN 0.231 nan 8.230 nan 0.000 0.485 910 P HA -0.014 nan 4.420 nan 0.000 0.274 910 P C -1.074 176.352 177.300 0.209 0.000 1.231 910 P CA -0.595 62.645 63.100 0.233 0.000 0.790 910 P CB 0.624 32.419 31.700 0.158 0.000 0.951 911 Q N 2.519 122.061 119.800 -0.430 0.000 2.239 911 Q HA 0.073 4.415 4.340 0.004 0.000 0.286 911 Q C -1.925 173.887 176.000 -0.313 0.000 1.102 911 Q CA -1.238 53.983 55.803 -0.970 0.000 0.936 911 Q CB -0.319 27.734 28.738 -1.143 0.000 1.127 911 Q HN 0.265 nan 8.270 nan 0.000 0.380 912 P HA 0.061 nan 4.420 nan 0.000 0.271 912 P C -2.244 174.977 177.300 -0.133 0.000 1.216 912 P CA -1.187 61.794 63.100 -0.197 0.000 0.771 912 P CB 0.638 32.171 31.700 -0.278 0.000 0.864 913 P HA -0.176 nan 4.420 nan 0.000 0.217 913 P C 1.225 178.514 177.300 -0.018 0.000 1.148 913 P CA 1.373 64.446 63.100 -0.044 0.000 0.834 913 P CB -0.421 31.269 31.700 -0.017 0.000 0.783 914 I N -5.035 115.534 120.570 -0.002 0.000 3.428 914 I HA 0.070 4.242 4.170 0.004 0.000 0.286 914 I C 0.197 176.328 176.117 0.022 0.000 1.287 914 I CA 0.227 61.546 61.300 0.030 0.000 1.396 914 I CB -0.776 37.273 38.000 0.082 0.000 1.062 914 I HN -0.233 nan 8.210 nan 0.000 0.471 915 C N 3.340 122.641 119.300 0.002 0.000 2.325 915 C HA 0.421 4.883 4.460 0.004 0.000 0.347 915 C C 1.365 176.384 174.990 0.048 0.000 1.263 915 C CA -0.499 58.544 59.018 0.040 0.000 1.806 915 C CB -0.006 27.766 27.740 0.053 0.000 2.405 915 C HN 0.578 nan 8.230 nan 0.000 0.537 916 T N 0.874 115.474 114.554 0.078 0.000 2.795 916 T HA 0.060 4.413 4.350 0.004 0.000 0.314 916 T C 1.300 176.069 174.700 0.115 0.000 1.069 916 T CA -0.357 61.788 62.100 0.076 0.000 1.071 916 T CB 0.522 69.438 68.868 0.080 0.000 0.988 916 T HN 0.640 nan 8.240 nan 0.000 0.543 917 I N 0.201 120.835 120.570 0.107 0.000 2.700 917 I HA -0.156 4.016 4.170 0.004 0.000 0.261 917 I C 1.619 177.810 176.117 0.124 0.000 1.219 917 I CA 1.421 62.812 61.300 0.151 0.000 1.463 917 I CB -0.236 37.833 38.000 0.115 0.000 1.092 917 I HN 0.665 nan 8.210 nan 0.000 0.452 918 D N 0.144 120.612 120.400 0.113 0.000 2.097 918 D HA -0.146 4.496 4.640 0.004 0.000 0.197 918 D C 2.253 178.554 176.300 0.002 0.000 0.984 918 D CA 1.381 55.431 54.000 0.082 0.000 0.826 918 D CB 0.066 41.002 40.800 0.227 0.000 0.973 918 D HN 0.284 nan 8.370 nan 0.000 0.460 919 V N 0.838 120.785 119.914 0.055 0.000 2.307 919 V HA -0.244 3.878 4.120 0.004 0.000 0.245 919 V C 2.255 178.382 176.094 0.055 0.000 1.045 919 V CA 1.220 63.518 62.300 -0.003 0.000 1.024 919 V CB -0.640 31.240 31.823 0.094 0.000 0.651 919 V HN 0.152 nan 8.190 nan 0.000 0.449 920 Y N 0.116 120.409 120.300 -0.012 0.000 2.274 920 Y HA -0.240 4.314 4.550 0.006 0.000 0.290 920 Y C 2.357 178.217 175.900 -0.067 0.000 1.145 920 Y CA 1.848 59.946 58.100 -0.004 0.000 1.203 920 Y CB -0.263 38.221 38.460 0.040 0.000 0.984 920 Y HN 0.268 nan 8.280 nan 0.000 0.533 921 M N -0.053 119.465 119.600 -0.137 0.000 2.159 921 M HA -0.144 4.338 4.480 0.004 0.000 0.263 921 M C 1.821 177.941 176.300 -0.299 0.000 1.063 921 M CA 1.644 56.801 55.300 -0.237 0.000 1.110 921 M CB -0.614 31.915 32.600 -0.118 0.000 1.374 921 M HN 0.315 nan 8.290 nan 0.000 0.411 922 I N -0.884 119.530 120.570 -0.259 0.000 2.202 922 I HA -0.341 3.832 4.170 0.004 0.000 0.242 922 I C 2.265 178.166 176.117 -0.361 0.000 1.091 922 I CA 1.381 62.525 61.300 -0.259 0.000 1.368 922 I CB -0.614 37.237 38.000 -0.248 0.000 1.058 922 I HN 0.316 nan 8.210 nan 0.000 0.410 923 M N 0.295 119.642 119.600 -0.422 0.000 2.073 923 M HA -0.219 4.264 4.480 0.004 0.000 0.258 923 M C 2.496 177.914 176.300 -1.471 0.000 1.070 923 M CA 1.751 56.531 55.300 -0.867 0.000 1.103 923 M CB -0.842 31.375 32.600 -0.638 0.000 1.321 923 M HN 0.106 nan 8.290 nan 0.000 0.405 924 V N 0.740 120.033 119.914 -1.036 0.000 2.332 924 V HA -0.285 3.837 4.120 0.004 0.000 0.248 924 V C 2.294 178.062 176.094 -0.543 0.000 1.055 924 V CA 1.921 63.792 62.300 -0.714 0.000 1.038 924 V CB -0.761 30.744 31.823 -0.530 0.000 0.651 924 V HN 0.465 nan 8.190 nan 0.000 0.450 925 K N -0.912 119.211 120.400 -0.461 0.000 2.209 925 K HA -0.176 4.146 4.320 0.004 0.000 0.204 925 K C 2.027 178.431 176.600 -0.327 0.000 1.048 925 K CA 1.626 57.731 56.287 -0.303 0.000 0.940 925 K CB -0.426 31.934 32.500 -0.233 0.000 0.729 925 K HN 0.472 nan 8.250 nan 0.000 0.451 926 C N -0.146 118.828 119.300 -0.543 0.000 2.472 926 C HA -0.030 4.432 4.460 0.004 0.000 0.278 926 C C 0.980 175.684 174.990 -0.478 0.000 1.447 926 C CA -0.117 58.613 59.018 -0.481 0.000 1.773 926 C CB -0.800 26.590 27.740 -0.583 0.000 1.793 926 C HN 0.557 nan 8.230 nan 0.000 0.544 927 W N -0.547 120.454 121.300 -0.498 0.000 2.862 927 W HA 0.408 5.069 4.660 0.002 0.000 0.426 927 W C 0.109 176.415 176.519 -0.355 0.000 0.950 927 W CA -1.187 55.566 57.345 -0.986 0.000 2.150 927 W CB -0.959 27.741 29.460 -1.268 0.000 1.161 927 W HN 0.142 nan 8.180 nan 0.000 0.696 928 M N 0.678 120.299 119.600 0.034 0.000 2.248 928 M HA 0.035 4.518 4.480 0.004 0.000 0.337 928 M C 1.538 178.007 176.300 0.282 0.000 1.121 928 M CA 0.259 55.627 55.300 0.113 0.000 1.155 928 M CB 0.794 33.424 32.600 0.049 0.000 1.514 928 M HN -0.018 nan 8.290 nan 0.000 0.452 929 I N 0.487 121.195 120.570 0.229 0.000 2.315 929 I HA -0.206 3.966 4.170 0.004 0.000 0.248 929 I C 0.694 176.902 176.117 0.152 0.000 1.117 929 I CA 0.976 62.408 61.300 0.220 0.000 1.404 929 I CB -0.195 37.889 38.000 0.139 0.000 1.071 929 I HN 0.671 nan 8.210 nan 0.000 0.419 930 D N 0.883 121.349 120.400 0.109 0.000 2.336 930 D HA 0.232 4.875 4.640 0.004 0.000 0.249 930 D C 1.056 177.406 176.300 0.083 0.000 1.213 930 D CA 0.227 54.273 54.000 0.077 0.000 0.870 930 D CB 1.397 42.226 40.800 0.048 0.000 1.076 930 D HN 0.193 nan 8.370 nan 0.000 0.483 931 A N 4.154 127.022 122.820 0.080 0.000 1.986 931 A HA -0.210 4.112 4.320 0.004 0.000 0.220 931 A C 1.670 179.281 177.584 0.046 0.000 1.171 931 A CA 1.442 53.527 52.037 0.080 0.000 0.640 931 A CB -0.208 18.829 19.000 0.062 0.000 0.811 931 A HN 0.647 nan 8.150 nan 0.000 0.451 932 D N -0.559 119.860 120.400 0.031 0.000 2.317 932 D HA 0.004 4.646 4.640 0.004 0.000 0.211 932 D C 1.992 178.294 176.300 0.002 0.000 0.966 932 D CA 0.994 55.002 54.000 0.012 0.000 0.876 932 D CB -0.147 40.659 40.800 0.011 0.000 0.927 932 D HN 0.365 nan 8.370 nan 0.000 0.519 933 S N 0.512 116.219 115.700 0.012 0.000 2.399 933 S HA -0.056 4.416 4.470 0.004 0.000 0.231 933 S C 0.986 175.570 174.600 -0.025 0.000 1.022 933 S CA 0.509 58.706 58.200 -0.003 0.000 0.983 933 S CB 0.150 63.354 63.200 0.008 0.000 0.803 933 S HN 0.265 nan 8.310 nan 0.000 0.480 934 R N 1.828 122.317 120.500 -0.018 0.000 2.694 934 R HA 0.204 4.546 4.340 0.004 0.000 0.268 934 R C -2.392 173.853 176.300 -0.092 0.000 1.061 934 R CA -1.358 54.707 56.100 -0.058 0.000 1.133 934 R CB -0.251 30.033 30.300 -0.027 0.000 1.020 934 R HN 0.181 nan 8.270 nan 0.000 0.475 935 P HA 0.059 nan 4.420 nan 0.000 0.274 935 P C -1.025 176.158 177.300 -0.195 0.000 1.260 935 P CA -0.137 62.882 63.100 -0.134 0.000 0.793 935 P CB 0.632 32.255 31.700 -0.128 0.000 1.048 936 K N 0.172 120.468 120.400 -0.174 0.000 2.123 936 K HA 0.297 4.619 4.320 0.004 0.000 0.248 936 K C 1.343 177.816 176.600 -0.212 0.000 0.969 936 K CA -0.765 55.389 56.287 -0.223 0.000 0.882 936 K CB 0.288 32.727 32.500 -0.102 0.000 1.080 936 K HN 0.359 nan 8.250 nan 0.000 0.441 937 F N 1.086 120.982 119.950 -0.091 0.000 2.120 937 F HA -0.200 4.330 4.527 0.003 0.000 0.300 937 F C 2.481 178.224 175.800 -0.095 0.000 1.095 937 F CA 1.274 59.190 58.000 -0.141 0.000 1.249 937 F CB -0.129 38.789 39.000 -0.137 0.000 0.995 937 F HN 0.476 nan 8.300 nan 0.000 0.480 938 R N 0.388 120.951 120.500 0.105 0.000 2.105 938 R HA -0.188 4.154 4.340 0.004 0.000 0.239 938 R C 1.971 178.286 176.300 0.025 0.000 1.135 938 R CA 1.813 57.943 56.100 0.050 0.000 0.967 938 R CB -0.334 29.982 30.300 0.027 0.000 0.861 938 R HN 0.444 nan 8.270 nan 0.000 0.442 939 E N 0.154 120.355 120.200 0.001 0.000 2.107 939 E HA -0.140 4.212 4.350 0.004 0.000 0.191 939 E C 1.981 178.583 176.600 0.003 0.000 0.982 939 E CA 0.793 57.183 56.400 -0.017 0.000 0.809 939 E CB -0.018 29.654 29.700 -0.047 0.000 0.756 939 E HN 0.292 nan 8.360 nan 0.000 0.459 940 L N 0.819 122.060 121.223 0.030 0.000 2.141 940 L HA -0.137 4.205 4.340 0.004 0.000 0.209 940 L C 2.362 179.351 176.870 0.198 0.000 1.094 940 L CA 0.732 55.648 54.840 0.127 0.000 0.763 940 L CB -0.213 41.894 42.059 0.079 0.000 0.908 940 L HN 0.147 nan 8.230 nan 0.000 0.437 941 I N -0.272 120.361 120.570 0.106 0.000 2.179 941 I HA -0.319 3.854 4.170 0.004 0.000 0.242 941 I C 2.347 178.510 176.117 0.077 0.000 1.088 941 I CA 1.566 62.919 61.300 0.088 0.000 1.357 941 I CB -0.136 37.889 38.000 0.042 0.000 1.051 941 I HN 0.157 nan 8.210 nan 0.000 0.409 942 I N 0.180 120.772 120.570 0.037 0.000 2.202 942 I HA -0.241 3.931 4.170 0.004 0.000 0.242 942 I C 2.583 178.684 176.117 -0.026 0.000 1.091 942 I CA 1.193 62.495 61.300 0.002 0.000 1.368 942 I CB -0.414 37.578 38.000 -0.014 0.000 1.058 942 I HN 0.186 nan 8.210 nan 0.000 0.410 943 E N 0.521 120.691 120.200 -0.050 0.000 2.058 943 E HA -0.222 4.130 4.350 0.004 0.000 0.194 943 E C 2.169 178.626 176.600 -0.239 0.000 0.997 943 E CA 1.706 58.000 56.400 -0.177 0.000 0.801 943 E CB -0.325 29.227 29.700 -0.248 0.000 0.746 943 E HN 0.442 nan 8.360 nan 0.000 0.450 944 F N 0.929 120.830 119.950 -0.081 0.000 2.456 944 F HA -0.023 4.506 4.527 0.003 0.000 0.298 944 F C 2.637 178.383 175.800 -0.090 0.000 1.104 944 F CA 0.486 58.438 58.000 -0.081 0.000 1.435 944 F CB -0.016 38.986 39.000 0.004 0.000 1.078 944 F HN -0.118 nan 8.300 nan 0.000 0.546 945 S N -0.148 115.604 115.700 0.087 0.000 2.368 945 S HA -0.212 4.260 4.470 0.004 0.000 0.225 945 S C 2.190 176.776 174.600 -0.023 0.000 1.030 945 S CA 1.128 59.343 58.200 0.024 0.000 0.999 945 S CB -0.239 62.969 63.200 0.013 0.000 0.844 945 S HN 0.265 nan 8.310 nan 0.000 0.459 946 K N 0.770 121.127 120.400 -0.072 0.000 2.057 946 K HA -0.008 4.314 4.320 0.004 0.000 0.206 946 K C 2.120 178.648 176.600 -0.120 0.000 1.050 946 K CA 1.124 57.357 56.287 -0.090 0.000 0.935 946 K CB -0.221 32.202 32.500 -0.128 0.000 0.715 946 K HN 0.365 nan 8.250 nan 0.000 0.439 947 M N 0.036 119.467 119.600 -0.282 0.000 2.117 947 M HA -0.121 4.361 4.480 0.004 0.000 0.262 947 M C 2.286 178.582 176.300 -0.006 0.000 1.065 947 M CA 1.600 56.702 55.300 -0.329 0.000 1.114 947 M CB -0.271 31.999 32.600 -0.549 0.000 1.361 947 M HN 0.160 nan 8.290 nan 0.000 0.408 948 A N -0.010 122.811 122.820 0.001 0.000 2.121 948 A HA -0.105 4.218 4.320 0.004 0.000 0.218 948 A C 2.133 179.718 177.584 0.002 0.000 1.154 948 A CA 1.234 53.275 52.037 0.008 0.000 0.679 948 A CB -0.601 18.395 19.000 -0.006 0.000 0.795 948 A HN 0.416 nan 8.150 nan 0.000 0.458 949 R N -1.132 119.377 120.500 0.014 0.000 2.189 949 R HA -0.054 4.288 4.340 0.004 0.000 0.218 949 R C -0.210 176.114 176.300 0.041 0.000 1.074 949 R CA 1.199 57.309 56.100 0.017 0.000 0.991 949 R CB 0.150 30.459 30.300 0.015 0.000 0.883 949 R HN 0.380 nan 8.270 nan 0.000 0.457 950 D N -0.901 119.558 120.400 0.099 0.000 2.735 950 D HA 0.124 4.767 4.640 0.004 0.000 0.291 950 D C -1.976 174.422 176.300 0.164 0.000 1.205 950 D CA -1.894 52.173 54.000 0.112 0.000 0.777 950 D CB 1.107 41.980 40.800 0.123 0.000 1.234 950 D HN -0.103 nan 8.370 nan 0.000 0.520 951 P HA -0.165 nan 4.420 nan 0.000 0.216 951 P C 1.314 178.668 177.300 0.090 0.000 1.153 951 P CA 0.937 64.105 63.100 0.113 0.000 0.848 951 P CB 0.508 32.226 31.700 0.030 0.000 0.787 952 Q N -0.768 119.050 119.800 0.030 0.000 2.364 952 Q HA -0.090 4.252 4.340 0.004 0.000 0.209 952 Q C 2.390 178.360 176.000 -0.050 0.000 0.977 952 Q CA 0.784 56.587 55.803 -0.001 0.000 0.885 952 Q CB -0.377 28.354 28.738 -0.012 0.000 0.941 952 Q HN 0.170 nan 8.270 nan 0.000 0.464 953 R N -1.020 119.412 120.500 -0.113 0.000 2.200 953 R HA -0.082 4.260 4.340 0.004 0.000 0.208 953 R C 0.613 176.641 176.300 -0.454 0.000 1.033 953 R CA 0.958 56.859 56.100 -0.331 0.000 1.000 953 R CB 0.322 30.297 30.300 -0.541 0.000 0.906 953 R HN 0.298 nan 8.270 nan 0.000 0.462 954 Y N -0.912 119.383 120.300 -0.009 0.000 2.483 954 Y HA 0.313 4.865 4.550 0.003 0.000 0.258 954 Y C 0.069 175.973 175.900 0.007 0.000 1.083 954 Y CA -0.160 57.935 58.100 -0.009 0.000 1.283 954 Y CB 0.917 39.365 38.460 -0.020 0.000 1.178 954 Y HN -0.151 nan 8.280 nan 0.000 0.515 955 L N 0.971 122.280 121.223 0.143 0.000 2.356 955 L HA 0.530 4.872 4.340 0.004 0.000 0.277 955 L C -1.119 175.784 176.870 0.055 0.000 0.996 955 L CA -0.952 53.944 54.840 0.093 0.000 0.822 955 L CB 2.228 44.344 42.059 0.095 0.000 1.256 955 L HN -0.340 nan 8.230 nan 0.000 0.413 956 V N 5.119 125.058 119.914 0.043 0.000 2.333 956 V HA 0.423 4.545 4.120 0.004 0.000 0.274 956 V C 0.020 176.145 176.094 0.051 0.000 1.028 956 V CA -0.129 62.190 62.300 0.031 0.000 0.851 956 V CB 1.206 33.036 31.823 0.013 0.000 1.000 956 V HN 0.500 nan 8.190 nan 0.000 0.456 957 I N 4.008 124.612 120.570 0.057 0.000 2.436 957 I HA 0.389 4.561 4.170 0.004 0.000 0.289 957 I C -0.219 175.919 176.117 0.036 0.000 1.010 957 I CA -0.798 60.546 61.300 0.073 0.000 1.098 957 I CB 2.120 40.190 38.000 0.116 0.000 1.266 957 I HN 0.419 nan 8.210 nan 0.000 0.434 958 Q N 3.514 123.326 119.800 0.019 0.000 2.311 958 Q HA 0.337 4.679 4.340 0.004 0.000 0.272 958 Q C 1.062 177.059 176.000 -0.003 0.000 1.012 958 Q CA 1.150 56.954 55.803 0.002 0.000 0.891 958 Q CB 0.790 29.523 28.738 -0.008 0.000 1.201 958 Q HN 0.912 nan 8.270 nan 0.000 0.391 959 G N 2.696 111.495 108.800 -0.002 0.000 2.184 959 G HA2 -0.287 3.676 3.960 0.004 0.000 0.264 959 G HA3 -0.287 3.676 3.960 0.004 0.000 0.264 959 G C -0.027 174.877 174.900 0.007 0.000 0.975 959 G CA 0.188 45.287 45.100 -0.002 0.000 0.642 959 G HN 0.627 nan 8.290 nan 0.000 0.536 960 D N 0.928 121.337 120.400 0.015 0.000 2.401 960 D HA 0.552 5.194 4.640 0.004 0.000 0.254 960 D C 0.506 176.815 176.300 0.015 0.000 1.192 960 D CA 0.889 54.903 54.000 0.024 0.000 0.885 960 D CB 0.661 41.481 40.800 0.034 0.000 1.147 960 D HN 0.539 nan 8.370 nan 0.000 0.478 971 S N -1.564 114.540 115.700 0.674 0.000 2.705 971 S HA 0.456 4.928 4.470 0.004 0.000 0.280 971 S C 0.341 175.180 174.600 0.398 0.000 1.174 971 S CA -0.748 57.759 58.200 0.512 0.000 0.823 971 S CB 1.372 64.937 63.200 0.609 0.000 1.162 971 S HN 0.454 nan 8.310 nan 0.000 0.487 972 N N 0.144 119.004 118.700 0.266 0.000 2.104 972 N HA -0.059 4.683 4.740 0.004 0.000 0.190 972 N C 1.250 176.909 175.510 0.249 0.000 1.024 972 N CA 1.480 54.651 53.050 0.201 0.000 0.853 972 N CB -0.595 37.972 38.487 0.133 0.000 1.008 972 N HN 0.624 nan 8.380 nan 0.000 0.424 973 F N 0.865 120.923 119.950 0.180 0.000 2.146 973 F HA -0.149 4.380 4.527 0.004 0.000 0.298 973 F C 2.368 178.272 175.800 0.173 0.000 1.096 973 F CA 0.950 59.043 58.000 0.155 0.000 1.275 973 F CB -0.673 38.425 39.000 0.165 0.000 1.008 973 F HN 0.047 nan 8.300 nan 0.000 0.480 974 Y N 0.788 121.335 120.300 0.411 0.000 2.256 974 Y HA -0.214 4.339 4.550 0.004 0.000 0.288 974 Y C 2.219 178.183 175.900 0.107 0.000 1.155 974 Y CA 1.553 59.793 58.100 0.234 0.000 1.203 974 Y CB -0.130 38.548 38.460 0.363 0.000 0.980 974 Y HN -0.014 nan 8.280 nan 0.000 0.530 975 R N -0.592 119.933 120.500 0.041 0.000 2.254 975 R HA 0.111 4.453 4.340 0.004 0.000 0.195 975 R C 2.361 178.600 176.300 -0.102 0.000 0.957 975 R CA 0.468 56.510 56.100 -0.096 0.000 1.024 975 R CB -0.122 30.174 30.300 -0.005 0.000 0.952 975 R HN 0.327 nan 8.270 nan 0.000 0.484 976 A N 2.450 125.213 122.820 -0.095 0.000 1.837 976 A HA -0.136 4.186 4.320 0.004 0.000 0.216 976 A C 1.039 178.519 177.584 -0.173 0.000 1.210 976 A CA 1.097 53.043 52.037 -0.151 0.000 0.632 976 A CB -0.862 17.989 19.000 -0.248 0.000 0.843 976 A HN 0.271 nan 8.150 nan 0.000 0.448 977 L N -3.096 117.991 121.223 -0.227 0.000 2.290 977 L HA 0.714 5.056 4.340 0.004 0.000 0.284 977 L C -0.314 176.451 176.870 -0.174 0.000 1.078 977 L CA 0.195 54.928 54.840 -0.178 0.000 0.815 977 L CB 0.849 42.800 42.059 -0.180 0.000 1.162 977 L HN 0.919 nan 8.230 nan 0.000 0.435 986 V N 0.817 120.714 119.914 -0.029 0.000 2.313 986 V HA 0.635 4.757 4.120 0.004 0.000 0.262 986 V C -0.113 175.977 176.094 -0.006 0.000 1.011 986 V CA -0.603 61.681 62.300 -0.026 0.000 0.858 986 V CB 1.041 32.850 31.823 -0.023 0.000 1.104 986 V HN 0.803 nan 8.190 nan 0.000 0.456 987 V N 3.834 123.728 119.914 -0.032 0.000 2.370 987 V HA 0.343 4.465 4.120 0.004 0.000 0.279 987 V C 0.307 176.400 176.094 -0.001 0.000 1.029 987 V CA -0.700 61.593 62.300 -0.013 0.000 0.870 987 V CB 1.673 33.483 31.823 -0.021 0.000 0.984 987 V HN 1.049 nan 8.190 nan 0.000 0.451 988 D N 4.690 125.097 120.400 0.011 0.000 2.449 988 D HA 0.148 4.790 4.640 0.004 0.000 0.236 988 D C 1.163 177.512 176.300 0.082 0.000 1.149 988 D CA 0.633 54.647 54.000 0.023 0.000 0.878 988 D CB 1.522 42.312 40.800 -0.016 0.000 1.198 988 D HN 0.554 nan 8.370 nan 0.000 0.446 989 A N 3.498 126.385 122.820 0.112 0.000 1.877 989 A HA -0.215 4.107 4.320 0.004 0.000 0.216 989 A C 1.859 179.549 177.584 0.178 0.000 1.186 989 A CA 1.722 53.885 52.037 0.209 0.000 0.620 989 A CB -0.651 18.475 19.000 0.211 0.000 0.822 989 A HN 0.797 nan 8.150 nan 0.000 0.443 990 D N -0.624 119.823 120.400 0.078 0.000 2.126 990 D HA -0.205 4.437 4.640 0.004 0.000 0.190 990 D C 1.865 178.196 176.300 0.052 0.000 1.001 990 D CA 1.665 55.686 54.000 0.036 0.000 0.841 990 D CB -0.301 40.485 40.800 -0.025 0.000 0.949 990 D HN 0.599 nan 8.370 nan 0.000 0.446 991 E N 0.004 120.240 120.200 0.059 0.000 2.150 991 E HA -0.173 4.179 4.350 0.004 0.000 0.193 991 E C 2.048 178.715 176.600 0.110 0.000 0.985 991 E CA 0.501 56.941 56.400 0.066 0.000 0.814 991 E CB -0.121 29.614 29.700 0.058 0.000 0.752 991 E HN 0.468 nan 8.360 nan 0.000 0.466 992 Y N 0.574 120.884 120.300 0.015 0.000 2.133 992 Y HA -0.055 4.497 4.550 0.004 0.000 0.287 992 Y C 0.812 176.728 175.900 0.026 0.000 1.134 992 Y CA 0.836 58.942 58.100 0.009 0.000 1.133 992 Y CB 0.200 38.659 38.460 -0.002 0.000 0.987 992 Y HN -0.111 nan 8.280 nan 0.000 0.502 993 L N 0.561 121.746 121.223 -0.063 0.000 2.352 993 L HA 0.462 4.805 4.340 0.004 0.000 0.269 993 L C 0.922 177.752 176.870 -0.067 0.000 1.034 993 L CA -0.210 54.534 54.840 -0.160 0.000 0.806 993 L CB 0.909 42.959 42.059 -0.015 0.000 1.244 993 L HN 0.388 nan 8.230 nan 0.000 0.447 994 I N 0.000 120.525 120.570 -0.076 0.000 2.984 994 I HA 0.000 4.172 4.170 0.004 0.000 0.288 994 I CA 0.000 61.276 61.300 -0.041 0.000 1.566 994 I CB 0.000 37.984 38.000 -0.027 0.000 1.214 994 I HN 0.000 nan 8.210 nan 0.000 0.494