NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0568 7.8976 120.3869 62.4979 32.1553 176.0938 6 S 3.8424 8.6086 123.0679 60.3411 62.8676 173.2637 7 Y 4.8460 7.2689 117.7761 57.7783 39.0303 176.9670 8 T 4.2178 7.6488 110.3715 60.5553 69.6104 172.6534 9 P 4.5563 0.0000 0.0000 62.8660 32.2738 174.9640 10 N 5.0628 8.4514 116.3671 51.5894 41.0742 174.1112 11 S 4.6683 8.6157 117.9866 57.7133 63.7546 173.4092 12 C 5.0264 8.6196 123.3272 55.3093 44.3879 174.1774 13 C 4.3333 8.3990 118.9933 56.1568 40.5751 173.5356 14 Y 4.1078 8.1767 123.0708 57.5166 37.6409 175.0633 15 G 3.8883 8.2162 111.2772 45.3963 0.0000 170.9850 16 F 4.9490 8.1220 121.1680 54.9748 41.9379 175.0419 17 Q 4.1680 8.8923 125.4274 56.6344 28.8676 176.4200 18 Q 4.3765 8.8762 125.1971 57.8422 29.3609 175.8552 19 H 4.5167 7.9166 114.7426 52.7189 30.4060 172.5974 20 P 3.5832 0.0000 0.0000 62.1361 31.4492 174.5608 21 P 4.4964 0.0000 0.0000 61.2013 32.4434 174.1473 22 P 4.3001 0.0000 0.0000 62.5618 31.8022 177.4415 23 V 3.6486 8.6605 123.5245 65.8103 31.5859 177.7583 24 Q 4.0965 8.1111 116.5785 58.2144 28.6726 176.8414 25 I 4.1849 7.8275 111.3779 60.9957 38.5547 175.3440 26 L 4.6538 7.7131 122.4333 54.4978 42.3632 176.0317 27 K 4.4753 8.8769 125.5442 57.7309 33.3458 175.6461 28 E 5.1485 7.6307 115.3600 55.7536 32.6103 173.9058 29 W 6.1234 8.8074 116.2541 54.3233 32.2362 173.5258 30 Y 4.7247 7.8042 116.8025 55.0002 40.5652 172.3051 31 P 5.2167 0.0000 0.0000 62.9650 32.8010 175.8804 32 T 4.4631 8.3608 112.3003 60.6292 70.6632 174.1401 33 S 4.2636 8.3644 116.0934 57.8571 62.7188 173.3162 34 P 4.3856 0.0000 0.0000 64.7772 31.2571 177.4446 35 A 4.2036 7.8757 120.3463 53.8908 18.6343 177.3630 36 C 4.5768 7.8789 114.0793 55.8855 40.8875 172.3144 37 P 4.3031 0.0000 0.0000 64.8280 31.1972 176.8329 38 K 4.5978 7.6451 117.6014 53.1672 34.1773 174.1232 39 P 4.3403 0.0000 0.0000 62.9580 31.9918 175.6156 40 G 4.5347 8.5583 108.5807 44.6482 0.0000 171.5137 41 V 5.1585 8.6246 112.0487 59.4735 36.3094 174.9609 42 I 4.5215 8.8033 124.8729 60.0078 39.0034 174.8504 43 L 4.4665 8.7724 128.2208 53.5657 42.8908 175.3474 44 L 5.0208 8.7901 127.9952 53.9769 43.7143 176.2740 45 T 4.7546 8.8485 117.1259 60.5105 70.4856 175.8992 46 K 3.9513 9.1211 122.4124 59.9066 32.0937 178.6404 47 R 4.1091 7.9409 114.4101 56.6898 30.2188 177.1553 48 G 3.9535 8.5137 107.1205 45.1037 0.0000 173.5186 49 R 4.1027 7.9811 121.1386 56.1566 31.2864 175.3947 50 Q 4.6799 8.7426 125.5608 54.8584 29.9375 175.0859 51 I 4.3939 8.2032 126.5897 59.4965 39.2380 174.8715 52 C 4.9677 8.8536 125.5969 57.0452 42.4212 172.8053 53 A 5.0106 9.2460 125.0817 50.1595 23.0609 174.4740 54 D 3.9082 7.7871 120.0826 51.6965 41.6441 175.3206 55 P 4.0894 0.0000 0.0000 64.0593 31.5237 177.3907 56 S 4.1230 7.6672 113.3557 59.5169 63.6861 174.7308 57 K 4.1588 7.5433 122.7790 54.9902 33.6296 176.7316 58 N 4.1635 8.6020 122.5404 56.5837 39.0080 176.9567 59 W 4.2707 7.9786 117.5442 59.5281 28.0791 178.3888 60 V 3.1036 6.4087 118.5422 65.6313 30.9414 178.0457 61 R 3.5719 7.4635 117.5515 59.2236 29.5692 179.1248 62 Q 3.9662 7.6979 117.2055 58.7531 29.0202 178.2386 63 L 4.1443 7.8674 119.9823 57.8432 41.5459 179.2484 64 M 3.3942 7.8930 118.8130 58.5080 31.5967 178.5789 65 Q 4.0061 7.6707 116.3782 59.2757 29.0378 179.0313 66 R 4.2489 7.5922 115.3654 56.2146 30.6509 176.3038 67 L 4.9940 7.3942 119.0128 51.6922 45.1704 174.4163 68 P 4.5659 0.0000 0.0000 62.9096 32.7884 174.8938 69 A 4.0092 8.4138 124.6616 50.7271 19.7005 176.6767 70 I 4.4554 7.9832 123.1224 59.2662 40.5897 175.7534 71 A 3.8622 8.5716 130.5781 52.4755 18.9634 176.6731 72 H 4.1221 8.0383 122.2160 58.3518 30.3116 174.8994 73 H 4.5334 7.6327 119.4597 55.9176 29.4546 173.0419 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 5 V 7.90 4.06 2.09 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 1.05 0.00 0.00 0.94 0.00 0.00 6 S 8.61 3.84 0.00 3.73 3.76 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 7 Y 7.27 4.85 0.00 3.06 2.98 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 0.00 0.00 0.00 0.00 8 T 7.65 4.22 4.27 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 1.25 0.00 0.00 9 P 0.00 4.56 0.00 2.25 2.13 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 10 N 8.45 5.06 0.00 2.66 2.79 0.00 0.00 6.85 7.57 0.00 0.00 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 S 8.62 4.67 0.00 3.97 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.62 5.03 0.00 2.49 2.37 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 0.00 13 C 8.40 4.33 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.18 4.11 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.22 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 16 F 8.12 4.95 0.00 3.03 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.89 4.17 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 18 Q 8.88 4.38 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.49 0.00 0.00 0.00 0.00 0.00 2.58 2.36 0.00 19 H 7.92 4.52 0.00 3.02 3.10 0.00 5.93 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.58 0.00 1.63 1.46 0.00 3.14 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.00 21 P 0.00 4.50 0.00 2.21 2.10 0.00 3.93 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 22 P 0.00 4.30 0.00 2.24 2.23 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 23 V 8.66 3.65 2.09 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 1.03 0.00 0.00 0.94 0.00 0.00 24 Q 8.11 4.10 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 25 I 7.83 4.18 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.92 0.00 0.00 26 L 7.71 4.65 0.00 1.89 1.70 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.88 4.48 0.00 1.86 1.93 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.41 7.81 28 E 7.63 5.15 0.00 2.18 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 2.26 2.35 0.00 29 W 8.81 6.12 0.00 3.54 3.14 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 0.00 30 Y 7.80 4.72 0.00 2.83 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.22 0.00 2.22 2.35 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 32 T 8.36 4.46 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 33 S 8.36 4.26 0.00 3.86 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.39 0.00 2.09 2.11 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 35 A 7.88 4.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.88 4.58 0.00 3.04 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.22 2.24 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 38 K 7.65 4.60 0.00 1.79 1.94 0.00 1.90 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.46 7.81 39 P 0.00 4.34 0.00 2.01 2.00 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 40 G 8.56 4.53 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 0.00 0.00 0.00 41 V 8.62 5.16 2.22 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 0.72 0.00 0.00 0.81 0.00 0.00 42 I 8.80 4.52 0.56 0.00 0.00 0.82 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 1.01 0.61 0.00 0.00 43 L 8.77 4.47 0.00 1.62 1.66 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.79 5.02 0.00 1.79 1.73 1.07 1.06 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 45 T 8.85 4.75 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 46 K 9.12 3.95 0.00 1.74 1.96 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.51 1.56 7.81 47 R 7.94 4.11 0.00 1.83 1.99 0.00 3.24 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 48 G 8.51 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 4.10 0.00 1.97 1.84 0.00 3.11 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 50 Q 8.74 4.68 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 51 I 8.20 4.39 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 1.05 0.00 0.00 52 C 8.85 4.97 0.00 2.92 3.17 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 0.00 53 A 9.25 5.01 1.06 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 0.00 0.00 54 D 7.79 3.91 0.00 1.58 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.09 0.00 2.01 1.89 0.00 3.54 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 56 S 7.67 4.12 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.54 4.16 0.00 1.03 1.16 0.00 1.62 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.12 1.26 7.81 58 N 8.60 4.16 0.00 2.77 2.81 0.00 0.00 6.96 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 W 7.98 4.27 0.00 3.58 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 60 V 6.41 3.10 1.60 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 0.66 0.00 0.00 -0.62 0.00 0.00 61 R 7.46 3.57 0.00 1.91 1.79 0.00 3.04 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.63 0.00 62 Q 7.70 3.97 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 63 L 7.87 4.14 0.00 1.85 1.72 1.18 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 64 M 7.89 3.39 0.00 0.94 1.77 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.02 0.00 65 Q 7.67 4.01 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 66 R 7.59 4.25 0.00 1.90 2.00 0.00 3.28 0.00 0.00 3.33 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 67 L 7.39 4.99 0.00 2.00 1.78 1.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.57 0.00 2.11 2.20 0.00 3.90 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 69 A 8.41 4.01 0.65 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 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.98 4.46 1.95 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 1.11 0.63 0.89 0.00 0.00 71 A 8.57 3.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.04 4.12 0.00 1.40 2.68 0.00 5.87 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.63 4.53 0.00 3.05 3.03 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00