NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0614 8.0549 120.3082 60.7686 33.4157 174.3334 3 K 4.5657 7.6461 118.9001 53.4382 35.9954 170.2108 4 V 3.9492 9.4874 123.7094 62.6053 33.1396 174.4274 5 K 5.2200 8.7254 127.2223 54.8753 34.1763 175.3601 6 F 5.0382 8.7777 119.4751 55.9129 41.9820 172.6751 7 K 5.0987 8.9087 117.1201 55.0343 34.5291 175.7171 8 Y 4.3040 9.2452 125.4955 56.8229 41.8100 175.2767 9 K 3.4877 8.9609 128.0162 57.5468 29.5984 174.9044 10 G 3.8934 9.0115 99.1245 45.7718 0.0000 172.2902 11 E 4.7565 7.6476 114.5814 54.8662 33.1277 174.0313 12 E 5.2349 8.4980 120.4081 55.6007 30.8898 175.8883 13 K 4.5159 7.7104 119.9770 55.2947 37.0241 174.7242 14 E 5.7643 8.2787 120.2838 54.2677 33.5087 175.1109 15 V 4.4585 8.2406 122.3995 61.1224 35.6861 173.9554 16 D 4.8359 8.5703 126.5745 53.5919 42.0337 177.3915 17 T 3.6599 8.6769 114.1059 64.8634 68.5270 176.1572 18 S 4.3851 8.0461 115.0357 60.5822 63.0244 175.0771 19 K 4.2786 8.5975 119.9247 57.1504 32.2619 176.8552 20 I 4.3665 7.8783 121.2521 61.3955 37.4866 175.2951 21 K 4.4556 8.6831 124.1769 57.6093 32.7888 176.5210 22 K 4.8698 8.3342 120.6039 54.8097 36.0538 174.6288 23 V 5.1819 8.4926 124.5218 61.4121 35.0067 173.8297 24 W 5.0432 8.5760 121.8801 56.0027 31.9040 172.6594 25 R 4.9159 8.8144 120.5504 54.8885 31.7220 176.2688 26 V 4.3580 8.7472 124.9531 61.5950 33.2183 176.2959 27 G 4.0113 8.1192 119.2366 46.7807 0.0000 173.2757 28 K 4.2799 8.5572 124.3741 56.5049 32.6769 175.2782 29 M 4.3857 8.2094 121.1429 54.7648 33.9764 174.9759 30 V 4.5142 8.6343 126.2150 61.6370 33.1761 174.5753 31 S 4.5679 8.0134 123.6214 56.6236 65.1634 172.3773 32 F 4.8679 6.7906 116.9010 56.5943 41.3673 172.5052 33 T 5.3436 9.0787 110.0615 60.4950 71.9695 172.5900 34 Y 5.3462 8.1685 119.0834 55.6977 41.8226 173.3698 35 D 4.7405 9.3380 122.7046 54.1798 41.8312 176.2412 36 D 4.8677 8.7497 125.4212 52.8579 40.9021 175.0696 37 N 4.4647 8.7108 113.8808 54.1907 36.1518 175.0170 38 G 4.0902 9.1652 109.0930 45.6597 0.0000 175.2850 39 K 4.0513 7.7444 120.1589 56.3896 32.7754 175.7639 40 T 4.7338 8.0960 120.8741 61.7031 69.6769 174.5598 41 G 3.0299 8.3141 115.0591 45.4632 0.0000 171.1218 42 R 4.9782 7.7519 117.9684 54.2091 33.6874 175.3523 43 G 3.4068 7.9692 108.6182 44.7477 0.0000 171.4032 44 A 4.8415 7.8622 121.2831 50.2331 22.3328 175.8891 45 V 4.7242 8.5598 119.4818 59.9642 35.6413 174.8867 46 S 4.5804 8.6656 116.4119 57.8864 63.9604 175.1718 47 E 4.0594 8.5214 120.9584 59.2139 29.0216 179.5434 48 K 4.0635 8.0473 118.9366 59.2645 32.8650 177.7161 49 D 4.6934 7.6683 116.8907 52.9566 41.5403 176.1619 50 A 4.3106 7.2600 124.0975 50.8423 19.6026 176.3520 51 P 4.5670 0.0000 0.0000 62.6491 33.9552 176.6895 52 K 3.7559 8.7895 118.2146 59.6950 32.3039 178.3189 53 E 3.7259 7.7568 118.3392 59.1598 30.2475 179.1247 54 L 3.8441 7.9107 119.8258 58.3186 42.1603 178.8076 55 L 3.9652 7.8226 118.7137 57.9988 41.5051 179.3324 56 D 4.3997 8.6212 119.1535 57.5049 40.6100 178.7556 57 M 4.0768 8.1119 119.4531 58.0663 31.8885 178.4125 58 L 3.9462 8.1565 120.4715 58.1388 42.1789 178.7061 59 A 3.9930 8.0951 120.8250 55.2966 18.2830 179.1889 60 R 3.8527 8.0694 113.6731 59.6925 29.0273 178.3136 61 A 4.0226 8.1800 122.1301 54.5991 18.4841 179.2616 62 E 4.0553 8.2220 115.4461 59.5558 29.6961 178.9038 63 R 4.0633 8.3508 117.7416 61.3060 30.5264 177.3760 64 E 4.2050 8.7616 117.2540 56.3190 32.4261 176.8981 65 K 4.1887 8.6543 120.7940 57.6978 33.0587 176.6963 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 2 V 8.05 4.06 2.07 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 0.90 0.00 0.00 0.91 0.00 0.00 3 K 7.65 4.57 0.00 1.65 1.86 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.51 7.81 4 V 9.49 3.95 1.98 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 1.02 0.00 0.00 0.68 0.00 0.00 5 K 8.73 5.22 0.00 1.70 1.73 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.40 7.81 6 F 8.78 5.04 0.00 3.27 3.25 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 7 K 8.91 5.10 0.00 1.66 1.73 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.41 7.81 8 Y 9.25 4.30 0.00 3.43 3.02 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 9 K 8.96 3.49 0.00 1.89 1.78 0.00 2.22 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.27 1.03 7.81 10 G 9.01 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 11 E 7.65 4.76 0.00 2.02 2.00 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 2.52 2.33 0.00 12 E 8.50 5.23 0.00 1.81 1.81 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 2.24 2.08 0.00 13 K 7.71 4.52 0.00 0.79 1.24 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.20 1.14 7.81 14 E 8.28 5.76 0.00 1.74 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 2.15 2.04 0.00 15 V 8.24 4.46 1.83 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 0.72 0.00 0.00 0.53 0.00 0.00 16 D 8.57 4.84 0.00 2.72 2.53 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 17 T 8.68 3.66 4.15 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 1.10 0.00 0.00 18 S 8.05 4.39 0.00 3.99 4.05 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 19 K 8.60 4.28 0.00 1.95 2.01 0.00 1.70 0.00 0.00 2.03 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 20 I 7.88 4.37 1.87 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.28 0.93 0.00 0.00 21 K 8.68 4.46 0.00 1.73 1.89 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.56 7.81 22 K 8.33 4.87 0.00 1.86 1.86 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.64 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.51 7.81 23 V 8.49 5.18 2.15 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 0.93 0.00 0.00 0.95 0.00 0.00 24 W 8.58 5.04 0.00 3.45 3.29 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 R 8.81 4.92 0.00 1.88 1.93 0.00 3.36 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 26 V 8.75 4.36 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 1.10 0.00 0.00 1.10 0.00 0.00 27 G 8.12 4.01 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 K 8.56 4.28 0.00 1.83 1.84 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.42 7.81 29 M 8.21 4.39 0.00 2.21 1.89 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 30 V 8.63 4.51 2.21 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 0.85 0.00 0.00 0.91 0.00 0.00 31 S 8.01 4.57 0.00 3.36 2.63 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 32 F 6.79 4.87 0.00 3.16 2.83 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 33 T 9.08 5.34 4.30 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 1.43 0.00 0.00 34 Y 8.17 5.35 0.00 3.15 3.09 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 D 9.34 4.74 0.00 2.70 2.70 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 36 D 8.75 4.87 0.00 2.74 2.49 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 37 N 8.71 4.46 0.00 2.95 2.96 0.00 0.00 7.50 7.65 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 38 G 9.17 4.09 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 39 K 7.74 4.05 0.00 1.78 1.87 0.00 1.46 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.40 7.81 40 T 8.10 4.73 4.17 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 1.13 0.00 0.00 41 G 8.31 3.03 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 42 R 7.75 4.98 0.00 1.22 1.48 0.00 3.21 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 43 G 7.97 3.41 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 44 A 7.86 4.84 1.01 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 45 V 8.56 4.72 2.26 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 0.82 0.00 0.00 1.05 0.00 0.00 46 S 8.67 4.58 0.00 4.03 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 47 E 8.52 4.06 0.00 2.16 2.25 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 2.38 2.32 0.00 48 K 8.05 4.06 0.00 1.93 1.99 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.53 7.81 49 D 7.67 4.69 0.00 2.73 2.76 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 0.00 0.00 0.00 50 A 7.26 4.31 1.30 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 0.00 0.00 51 P 0.00 4.57 0.00 2.24 2.15 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 52 K 8.79 3.76 0.00 1.83 1.74 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.54 7.81 53 E 7.76 3.73 0.00 2.09 1.87 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 2.43 0.00 54 L 7.91 3.84 0.00 1.65 1.77 0.67 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.82 3.97 0.00 1.92 1.69 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.62 4.40 0.00 2.82 2.70 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 57 M 8.11 4.08 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.52 0.00 58 L 8.16 3.95 0.00 1.75 1.88 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.10 3.99 1.41 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 60 R 8.07 3.85 0.00 2.08 2.33 0.00 2.82 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 61 A 8.18 4.02 1.44 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 62 E 8.22 4.06 0.00 2.14 2.05 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 2.41 2.61 0.00 63 R 8.35 4.06 0.00 1.75 2.32 0.00 3.31 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 64 E 8.76 4.21 0.00 1.93 1.93 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 2.35 2.46 0.00 65 K 8.65 4.19 0.00 2.03 1.86 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.41 7.81