NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2511 8.2644 123.5807 54.4195 19.7103 176.0289 3 R 4.3011 7.8926 107.1206 56.0037 31.1217 174.1636 4 R 4.2818 8.1501 121.4770 56.0587 31.5663 175.5308 5 T 4.7421 8.2710 106.7498 60.0883 72.5911 174.2222 6 W 4.3418 8.7896 131.9194 60.8819 30.7852 177.8335 7 L 3.4746 8.2617 119.4768 58.1656 42.0905 178.7531 8 G 3.8474 7.8629 105.0171 47.9266 0.0000 175.3361 9 D 4.2938 8.2891 121.1360 57.1849 40.8831 178.7077 10 I 3.6692 7.1332 117.9688 63.1173 37.2345 177.1727 11 L 4.4429 7.2926 119.3592 55.7490 42.9576 178.9914 12 R 3.7152 7.6046 119.4264 58.8161 30.2788 175.8419 13 P 4.4523 0.0000 0.0000 63.4236 31.3862 176.2866 14 L 4.3401 8.4303 119.4649 56.3399 43.3285 177.2287 15 N 4.8222 7.3785 117.1923 52.7398 37.3331 174.4604 16 S 4.6383 7.5796 113.6423 58.8288 65.8024 174.8482 17 E 4.2541 8.0514 120.3486 57.4985 29.9954 177.7394 18 Y 3.7849 7.9427 112.7315 61.6313 39.4050 176.7618 19 G 3.2562 8.7189 116.2341 48.0638 0.0000 174.4429 20 K 3.9927 7.0018 120.4759 54.3707 31.9449 181.5254 21 V 4.3508 7.9526 122.0594 59.1295 34.0380 174.0172 22 A 4.1707 8.4303 126.7054 51.6615 19.0809 174.7471 23 P 4.6855 0.0000 0.0000 62.5522 33.6472 177.0701 24 G 4.0063 8.1178 110.2223 47.3478 0.0000 174.1295 25 W 4.4852 9.7742 123.9044 57.9691 30.3554 178.3752 26 G 3.7501 7.3488 105.9663 44.9206 0.0000 178.0949 27 T 4.3137 8.7166 124.3653 63.5841 68.4691 175.1636 28 T 3.9055 7.6203 120.0303 66.7093 68.4556 174.2450 29 P 4.3994 0.0000 0.0000 65.1167 31.3998 178.4734 30 L 4.1023 8.2343 119.9881 58.0910 41.9233 178.5948 31 M 4.0422 8.0128 117.6177 58.7063 32.1978 177.9325 32 A 4.0629 8.4881 121.1335 54.8659 18.4464 179.9298 33 V 3.5814 7.6089 117.2061 66.2213 31.6868 178.2284 34 F 3.9055 8.3807 117.5342 60.9944 38.6876 177.0542 35 M 4.3206 8.5942 118.4118 58.8129 31.9421 178.8502 36 G 3.8139 8.2203 105.4979 47.9112 0.0000 175.3040 37 L 3.9621 8.0350 122.2746 57.9915 42.1830 178.6258 38 F 4.5094 9.0237 121.0168 61.5223 39.4666 176.2764 39 L 3.6995 8.7193 120.1234 58.6532 41.7861 179.0982 40 V 3.5917 7.7964 117.3392 65.9621 31.3015 177.8364 41 F 4.2973 8.1080 119.8596 61.4154 39.1999 177.1212 42 L 3.1365 7.2687 118.5081 57.3917 41.2828 179.3192 43 L 3.6366 7.5398 119.8293 57.9302 41.7164 179.1802 44 I 3.7816 7.3520 119.3925 64.7797 36.7220 177.7781 45 I 3.7445 8.0612 121.2914 63.2921 36.8866 178.2150 46 L 4.1099 8.8426 121.4551 58.4702 42.4016 179.0715 47 E 4.2639 8.3256 116.5826 57.6508 29.5708 178.6858 48 I 4.1056 8.9985 121.1580 63.9373 37.4551 177.3162 49 Y 4.2251 7.8902 118.7825 60.5980 38.8422 176.6842 50 N 4.5010 8.0723 114.8633 53.4607 39.1864 174.8880 51 S 3.8611 7.7093 113.7931 60.9062 60.9971 172.1789 52 T 4.4266 7.7720 114.4482 63.0227 68.0810 175.7171 53 L 4.3257 7.2107 121.8494 54.8045 42.8808 173.5692 54 I 4.2428 7.9297 124.8179 60.0862 38.6036 175.6416 55 L 4.7935 7.9795 122.1993 52.4920 45.4009 175.7285 56 D 4.4111 8.6367 121.7908 56.5817 40.7685 177.0637 57 G 3.9332 8.9833 113.6773 45.2037 0.0000 173.4248 58 V 3.4435 6.9093 119.7748 59.6948 31.7236 172.1453 59 N 3.9994 8.1145 128.8018 53.6949 39.3065 175.4373 60 V 4.0486 8.2180 123.6523 60.4264 30.1864 175.3426 61 S 4.7911 7.5110 118.9707 55.2877 66.8506 176.0505 62 W 3.9720 8.7241 117.6263 60.3195 28.9478 177.6027 63 K 4.0894 7.6718 118.0818 55.7719 32.7540 175.2411 64 A 4.4898 8.5477 135.0000 54.0392 19.3681 176.8143 65 L 4.2334 8.8329 121.0810 53.2695 41.0121 179.5401 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 A 8.26 4.25 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.89 4.30 0.00 1.81 1.80 0.00 3.25 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.70 0.00 4 R 8.15 4.28 0.00 1.87 1.70 0.00 3.35 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 5 T 8.27 4.74 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 6 W 8.79 4.34 0.00 3.43 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 3.47 0.00 1.88 1.73 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.29 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.13 3.67 1.42 0.00 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.04 0.65 0.00 0.00 11 L 7.29 4.44 0.00 1.69 1.61 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.60 3.72 0.00 2.08 1.87 0.00 3.11 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 13 P 0.00 4.45 0.00 2.19 2.12 0.00 3.31 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 14 L 8.43 4.34 0.00 1.68 1.72 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.38 4.82 0.00 2.80 2.73 0.00 0.00 7.05 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.58 4.64 0.00 3.99 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 0.00 17 E 8.05 4.25 0.00 2.05 1.97 0.00 0.00 0.00 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 2.28 0.00 18 Y 7.94 3.78 0.00 2.87 2.80 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 19 G 8.72 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 0.00 0.00 0.00 20 K 7.00 3.99 0.00 1.78 1.64 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.31 7.81 21 V 7.95 4.35 1.99 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 0.76 0.00 0.00 0.87 0.00 0.00 22 A 8.43 4.17 1.25 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 0.00 0.00 23 P 0.00 4.69 0.00 2.21 1.98 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 24 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 25 W 9.77 4.49 0.00 3.42 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.35 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.72 4.31 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 T 7.62 3.91 4.60 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 1.29 0.00 0.00 29 P 0.00 4.40 0.00 2.23 2.17 0.00 3.66 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 30 L 8.23 4.10 0.00 1.82 1.84 1.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 M 8.01 4.04 0.00 2.35 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 32 A 8.49 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 3.58 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.03 0.00 0.00 34 F 8.38 3.91 0.00 3.20 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.59 4.32 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.66 0.00 36 G 8.22 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.04 3.96 0.00 2.02 1.87 0.87 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.02 4.51 0.00 3.22 3.37 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 39 L 8.72 3.70 0.00 1.80 1.90 0.87 1.13 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 40 V 7.80 3.59 2.12 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 0.97 0.00 0.00 0.94 0.00 0.00 41 F 8.11 4.30 0.00 3.08 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.27 3.14 0.00 1.46 1.28 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.54 3.64 0.00 1.72 1.80 0.88 0.85 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 I 7.35 3.78 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.89 0.97 0.00 0.00 45 I 8.06 3.74 1.78 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.86 0.00 0.00 46 L 8.84 4.11 0.00 1.67 1.66 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.33 4.26 0.00 2.16 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 2.31 2.46 0.00 48 I 9.00 4.11 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.23 0.87 0.00 0.00 49 Y 7.89 4.23 0.00 2.89 2.80 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 50 N 8.07 4.50 0.00 2.88 2.80 0.00 0.00 7.28 7.54 0.00 0.00 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 S 7.71 3.86 0.00 4.09 3.94 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 52 T 7.77 4.43 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 53 L 7.21 4.33 0.00 1.53 1.69 0.92 1.07 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 54 I 7.93 4.24 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 1.42 0.55 0.91 0.00 0.00 55 L 7.98 4.79 0.00 1.63 1.49 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.64 4.41 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 3.93 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 0.00 0.00 0.00 58 V 6.91 3.44 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 0.72 0.00 0.00 0.92 0.00 0.00 59 N 8.11 4.00 0.00 2.88 2.79 0.00 0.00 6.87 7.71 0.00 0.00 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 8.22 4.05 2.04 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 0.71 0.00 0.00 1.00 0.00 0.00 61 S 7.51 4.79 0.00 3.59 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.72 3.97 0.00 3.30 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.67 4.09 0.00 1.81 1.81 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.60 7.81 64 A 8.55 4.49 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 65 L 8.83 4.23 0.00 1.68 1.45 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00