NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3759 0.0000 0.0000 61.4762 33.0018 175.8993 17 S 4.4721 8.3814 112.0968 56.7839 64.0665 173.7644 18 R 4.3739 8.5486 120.4608 56.1257 28.6967 175.0663 19 K 4.3785 8.0933 117.7100 56.3113 35.2654 176.3731 20 A 4.2461 7.7765 117.7842 52.1386 20.9603 173.0878 21 K 3.8558 7.9495 128.3153 55.7098 31.2643 175.8175 22 V 3.7088 8.1913 126.7967 65.2241 31.8224 177.4117 23 K 4.0871 7.6694 119.9144 58.8483 32.0812 176.9084 24 A 4.6640 7.8629 119.5984 52.5155 19.1284 177.5123 25 T 4.3102 7.8995 117.6649 65.3352 70.2226 174.8830 26 L 4.6891 7.5963 121.7852 53.1519 44.7666 175.3407 27 G 4.3613 7.9515 120.7768 44.7112 0.0000 176.1290 28 E 4.0360 8.9653 127.8934 55.7236 29.6404 175.3210 29 F 5.0623 8.6631 127.7988 56.3839 41.6735 173.1892 30 D 4.3877 8.7923 128.1594 53.2957 41.3794 175.8026 31 L 3.7498 7.9515 125.6211 55.2397 42.0589 177.3630 32 R 4.2653 7.4394 117.0832 56.1697 30.2435 176.1070 33 D 4.1133 7.6844 118.2808 52.8460 40.1701 175.6360 34 Y 4.4918 7.8667 126.2200 59.9243 37.9197 177.7938 35 R 4.5793 6.6285 118.6840 56.7285 30.7775 177.0814 36 N 4.7379 7.8046 115.4411 53.3433 36.8754 174.5528 37 V 3.4265 7.9610 119.4321 67.5659 31.6415 175.8914 38 E 3.9670 8.1397 120.5277 59.4970 29.6520 179.5046 39 V 3.6336 7.6337 118.4858 65.7925 31.6288 177.2019 40 L 4.9578 8.5402 115.9380 55.0530 41.3614 177.5872 41 K 4.6047 7.6316 118.5845 56.3797 33.1325 176.6334 42 R 4.3980 7.4239 116.2543 55.3942 32.2451 175.8915 43 F 4.8249 7.6755 116.2048 57.5990 39.5441 176.5795 44 L 4.5001 8.0758 122.3008 55.4940 43.2350 179.3031 45 S 3.5913 8.1402 111.0241 59.2833 62.3223 171.6226 46 E 4.4913 8.7372 115.4907 58.1793 31.7884 177.1428 47 T 3.8337 7.6916 113.6008 64.5767 69.0687 175.5461 48 G 4.2101 7.5723 110.7208 45.8425 0.0000 173.8663 49 K 4.4686 7.1465 118.1108 54.5552 34.0804 176.5016 50 I 4.2808 7.9943 121.1754 59.9643 37.7466 176.2903 51 L 4.1391 8.5190 126.4542 53.7940 42.2817 175.9250 52 P 4.5844 0.0000 0.0000 62.4151 33.6380 177.5388 53 R 4.2626 8.4442 117.2457 58.5385 29.5391 178.8372 54 R 3.9153 8.0764 117.7246 59.1303 30.2159 177.3178 55 R 4.4752 7.6841 116.0300 57.9509 31.7360 178.4369 56 T 4.1007 8.1651 109.7160 62.6472 68.5658 175.4946 57 G 4.0394 8.0866 108.2620 46.4451 0.0000 173.0582 58 L 4.6186 7.8913 119.0170 52.8416 44.3077 176.0695 59 S 4.8114 7.8767 115.3763 56.9696 66.1868 175.2013 60 G 3.5953 8.4272 107.3443 47.7154 0.0000 175.4566 61 K 3.8495 8.0951 121.3969 59.3740 32.0117 178.5513 62 E 3.8874 7.6917 117.2695 59.3715 29.5283 178.7865 63 Q 4.1853 8.1464 114.5585 57.3791 28.8648 177.6718 64 R 4.4500 7.6275 119.8117 57.2501 31.1413 177.4927 65 I 4.4091 6.9461 109.6299 60.7810 38.2565 176.3951 66 L 4.4425 8.0623 123.5424 57.6449 41.6791 178.3567 67 A 4.0281 7.7803 120.9638 54.4204 18.4148 179.4125 68 K 3.8984 7.7280 117.3724 59.8053 32.3651 178.9181 69 T 4.2262 7.8088 108.7141 63.7433 69.1083 176.8750 70 I 3.7869 7.8345 123.4771 64.3551 37.0345 178.3047 71 K 4.0316 8.2345 119.3906 59.5683 31.7161 179.6334 72 R 3.9260 8.2275 118.1519 59.2053 29.8865 178.9967 73 A 4.1610 8.1061 120.6056 54.8797 18.1068 179.9388 74 R 4.0156 7.9892 116.2756 59.6440 30.2925 178.9078 75 I 3.9114 7.3801 118.0477 64.4819 37.1670 178.2509 76 L 4.1644 7.5334 118.9508 59.1685 41.9650 175.9713 77 G 3.8876 8.8661 103.3654 45.3263 0.0000 173.6740 78 L 4.1324 8.8717 120.0200 54.4366 40.8273 174.6156 79 L 4.7643 7.5758 116.7621 53.3097 42.7170 174.0203 80 P 3.9524 0.0000 0.0000 61.8828 31.5527 175.6970 81 F 3.6772 8.0199 110.5772 58.1274 38.1240 174.9443 82 T 4.8974 8.8227 125.9322 62.4279 70.7550 171.7269 83 E 4.2912 9.5297 131.3100 55.7605 30.7641 172.8931 84 K 3.4795 8.5007 124.5561 56.6673 31.2744 174.3165 85 L 4.5112 8.2785 124.1377 53.1130 43.2270 176.2166 86 V 3.8764 8.1651 125.6437 63.2199 33.2868 176.4574 87 R 3.6861 9.1057 124.4993 54.3997 27.9066 176.5855 88 K 4.1630 8.9369 125.7687 57.4585 33.0902 174.5090 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 16 P 0.00 4.38 0.00 2.18 2.03 0.00 3.41 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.08 0.00 17 S 8.38 4.47 0.00 3.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.55 4.37 0.00 1.84 1.88 0.00 3.37 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 19 K 8.09 4.38 0.00 1.68 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.39 7.81 20 A 7.78 4.25 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.95 3.86 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.48 7.81 22 V 8.19 3.71 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.00 0.00 0.00 23 K 7.67 4.09 0.00 2.16 1.85 0.00 2.10 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.45 7.81 24 A 7.86 4.66 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.90 4.31 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 26 L 7.60 4.69 0.00 1.41 1.44 0.83 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.95 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.97 4.04 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 29 F 8.66 5.06 0.00 2.85 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.79 4.39 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.95 3.75 0.00 1.37 1.47 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.44 4.27 0.00 1.68 1.95 0.00 3.13 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 33 D 7.68 4.11 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.87 4.49 0.00 3.28 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 6.63 4.58 0.00 1.93 1.96 0.00 3.20 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 36 N 7.80 4.74 0.00 3.12 2.90 0.00 0.00 6.83 8.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.96 3.43 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.03 0.00 0.00 38 E 8.14 3.97 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 39 V 7.63 3.63 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.88 0.00 0.00 40 L 8.54 4.96 0.00 1.73 1.87 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.63 4.60 0.00 1.98 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.43 7.81 42 R 7.42 4.40 0.00 1.17 1.49 0.00 3.21 0.00 0.00 2.96 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 43 F 7.68 4.82 0.00 3.05 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.08 4.50 0.00 1.75 1.80 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.14 3.59 0.00 4.14 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.74 4.49 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 47 T 7.69 3.83 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 48 G 7.57 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.15 4.47 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.47 7.81 50 I 7.99 4.28 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.56 0.92 0.00 0.00 51 L 8.52 4.14 0.00 1.75 1.69 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.58 0.00 2.28 2.23 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 53 R 8.44 4.26 0.00 1.89 2.04 0.00 3.76 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 54 R 8.08 3.92 0.00 1.79 2.01 0.00 3.26 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 55 R 7.68 4.48 0.00 1.88 1.96 0.00 3.36 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 56 T 8.17 4.10 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 57 G 8.09 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.89 4.62 0.00 1.81 1.64 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.88 4.81 0.00 3.92 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.43 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.10 3.85 0.00 1.87 1.82 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.59 7.81 62 E 7.69 3.89 0.00 2.39 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 63 Q 8.15 4.19 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 64 R 7.63 4.45 0.00 1.94 1.93 0.00 3.10 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 65 I 6.95 4.41 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.54 0.89 0.00 0.00 66 L 8.06 4.44 0.00 1.75 1.86 0.70 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.78 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.73 3.90 0.00 2.16 1.81 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 69 T 7.81 4.23 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 70 I 7.83 3.79 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.63 0.97 0.00 0.00 71 K 8.23 4.03 0.00 2.06 1.87 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.58 7.81 72 R 8.23 3.93 0.00 2.10 1.95 0.00 3.19 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 73 A 8.11 4.16 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.99 4.02 0.00 2.12 2.26 0.00 3.60 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 75 I 7.38 3.91 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.34 0.89 0.00 0.00 76 L 7.53 4.16 0.00 1.75 1.78 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.87 4.13 0.00 1.86 1.90 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.58 4.76 0.00 1.70 1.61 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 3.95 0.00 1.99 2.07 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 81 F 8.02 3.68 0.00 3.18 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.82 4.90 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 83 E 9.53 4.29 0.00 1.77 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 84 K 8.50 3.48 0.00 1.88 1.75 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.34 7.81 85 L 8.28 4.51 0.00 1.57 1.56 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.17 3.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 87 R 9.11 3.69 0.00 2.01 1.83 0.00 3.55 0.00 0.00 3.15 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 88 K 8.94 4.16 0.00 1.88 1.78 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.36 7.81