NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0792 8.0244 121.4513 61.1799 37.7055 174.6218 2 V 4.1639 8.0770 125.5665 60.0501 32.7240 174.2744 3 C 4.6234 9.5949 129.8245 56.8970 45.6078 172.5742 4 H 4.8049 8.5667 121.1977 55.4016 30.1616 176.1960 5 T 4.1888 8.4871 109.3492 61.8083 68.3788 175.8347 6 T 3.2814 9.3430 129.1104 64.1435 66.6373 173.4671 7 A 4.4153 8.9575 124.5836 53.0475 23.0378 176.8794 8 T 3.8485 9.0176 118.8140 61.9856 68.4819 172.3820 9 S 4.8937 7.5690 115.6086 55.2885 65.6341 172.5196 10 P 4.4273 0.0000 0.0000 65.2675 31.5142 176.8218 11 I 4.8380 7.1237 116.7322 59.5443 42.5890 173.8635 12 S 4.4069 8.8849 124.5311 58.4450 70.0800 177.8296 13 A 4.5551 9.2239 132.3049 51.9648 22.3311 177.0264 14 V 4.3591 8.1631 119.2973 63.7407 32.0876 173.8452 15 T 3.4494 8.0840 120.1620 62.8258 69.8522 171.4144 16 C 4.5478 8.6139 126.0604 54.7748 42.6110 170.5897 17 P 4.5636 0.0000 0.0000 63.7472 31.7338 175.5045 18 P 4.2276 0.0000 0.0000 63.1032 31.9854 178.8540 19 G 3.9450 7.3082 110.7474 44.0426 0.0000 171.5760 20 E 4.9411 8.5896 117.3373 57.1786 33.0046 175.9960 21 N 4.6892 8.9481 122.8678 53.8047 35.5546 175.0047 22 L 4.7977 8.2602 124.9631 53.3501 45.3917 175.2433 23 C 4.6628 8.3635 123.6369 55.2505 37.2365 172.9004 24 Y 4.3887 8.0219 123.8091 58.0616 39.2199 173.8864 25 R 4.5090 8.1530 123.5378 54.2797 31.3943 174.8053 26 K 4.2837 8.4675 126.9913 56.4420 33.5474 176.0670 27 M 4.8813 8.5306 123.7943 52.9636 34.5216 174.7454 28 W 4.0205 9.5126 135.0000 58.8908 31.3136 176.0159 29 C 4.2080 8.2854 119.9546 56.4423 40.8981 171.7518 30 D 4.8198 8.6109 121.5236 56.8753 42.7404 176.3222 31 A 4.6247 8.4295 120.7538 52.4285 25.2879 179.9654 32 F 3.5554 9.1066 113.7426 55.7609 41.4876 177.0505 33 C 4.1943 9.3534 126.7285 56.9269 38.5483 172.7557 34 S 4.3296 8.1125 119.4792 59.8889 63.8161 175.5670 35 S 4.7640 7.5509 120.0153 55.1577 62.5520 173.3742 36 R 4.7753 7.8607 120.0145 55.2362 35.9255 175.7893 37 G 4.0993 10.2470 109.1198 43.9637 0.0000 176.2462 38 K 3.7374 9.3363 119.5129 56.7015 31.4588 176.2556 39 V 4.1467 7.1160 118.2391 63.0117 33.6604 173.3758 40 V 4.7022 7.8470 122.0023 60.4092 33.6071 172.9594 41 E 4.5121 8.4508 125.2237 52.7795 37.0252 174.0831 42 L 3.7619 7.9749 117.6040 55.2131 41.6053 176.0596 43 G 4.1001 8.4180 111.9513 44.4991 0.0000 169.8635 44 C 4.1797 8.6971 124.9929 55.3713 43.0535 171.2946 45 A 4.4260 7.9162 126.6345 50.4053 21.5994 176.0884 46 A 4.2329 8.0768 119.2702 52.9295 19.4663 176.9251 47 T 4.3945 7.1531 107.8392 61.5839 69.8974 173.0171 48 C 4.9199 8.4763 124.1467 55.8925 43.7579 173.0648 49 P 4.2381 0.0000 0.0000 63.0356 30.8855 175.8197 50 S 4.4554 7.6106 115.8140 58.5436 62.1244 172.8526 51 K 4.6303 7.8931 129.0435 56.6606 33.5826 174.2315 52 K 4.6254 7.7273 120.3297 54.3929 34.1946 173.1661 53 P 4.1394 0.0000 0.0000 64.8803 31.7218 176.7943 54 Y 4.4661 5.7059 124.0796 54.1703 37.8463 176.2188 55 E 4.5916 8.7766 132.5078 56.7085 30.0398 176.8307 56 E 5.9745 7.6159 128.1439 58.5980 28.8236 176.8121 57 V 4.0132 7.2016 114.8753 61.4102 32.4172 176.3845 58 T 4.4456 7.8181 111.6260 59.9445 69.9404 170.3767 59 C 4.3128 8.3106 121.4301 55.7504 43.6999 174.2029 60 C 4.8133 8.0941 116.7080 55.8215 41.1505 173.8140 61 S 4.6027 7.8429 117.3381 57.4645 65.2204 173.6130 62 T 3.8127 8.7437 114.5234 61.6800 67.6005 172.1348 63 D 4.8205 7.1453 123.8127 52.1178 43.8276 174.0493 64 K 4.1318 8.5495 118.5011 57.5076 31.7497 176.4533 65 C 4.3172 8.3024 126.8031 59.2493 44.1153 173.6346 66 N 4.4203 7.9456 117.3692 53.0153 38.9191 171.2178 67 P 4.0343 0.0000 0.0000 63.3296 30.9400 177.8648 68 H 4.3142 8.1277 115.8333 54.4296 33.7865 171.4662 69 P 4.2514 0.0000 0.0000 63.2665 30.5632 175.7925 70 K 3.7105 8.6453 123.7709 58.4178 32.8295 177.3511 71 Q 3.4537 7.6422 116.2346 55.4607 27.9804 173.5115 72 R 4.6634 7.7953 116.3331 53.6262 32.2450 173.6171 73 P 4.9048 0.0000 0.0000 61.4669 33.8494 175.2259 74 G 3.8171 8.0595 111.2131 45.8277 0.0000 173.1618 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 1 I 8.02 4.08 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 1.30 1.07 0.96 0.00 0.00 2 V 8.08 4.16 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 0.67 0.00 0.00 0.94 0.00 0.00 3 C 9.59 4.62 0.00 3.06 2.94 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 4 H 8.57 4.80 0.00 3.08 3.23 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.49 4.19 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 6 T 9.34 3.28 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 1.23 0.00 0.00 7 A 8.96 4.42 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 8 T 9.02 3.85 4.25 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 1.22 0.00 0.00 9 S 7.57 4.89 0.00 4.05 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 10 P 0.00 4.43 0.00 2.16 2.18 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 11 I 7.12 4.84 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.64 0.91 0.00 0.00 12 S 8.88 4.41 0.00 3.81 3.40 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 0.00 13 A 9.22 4.56 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 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 0.79 0.00 0.00 0.97 0.00 0.00 15 T 8.08 3.45 4.25 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 1.22 0.00 0.00 16 C 8.61 4.55 0.00 2.96 3.07 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 0.00 0.00 0.00 0.00 17 P 0.00 4.56 0.00 2.21 2.12 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 18 P 0.00 4.23 0.00 2.19 2.10 0.00 3.74 0.00 0.00 3.65 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 19 G 7.31 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 0.00 0.00 0.00 20 E 8.59 4.94 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 21 N 8.95 4.69 0.00 2.88 2.50 0.00 0.00 6.94 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.26 4.80 0.00 1.63 1.55 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.36 4.66 0.00 3.02 3.12 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 24 Y 8.02 4.39 0.00 2.98 2.85 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 25 R 8.15 4.51 0.00 2.06 1.78 0.00 3.37 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 26 K 8.47 4.28 0.00 1.74 1.74 0.00 1.71 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.34 7.81 27 M 8.53 4.88 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.36 0.00 28 W 9.51 4.02 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 29 C 8.29 4.21 0.00 3.16 3.07 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 0.00 0.00 0.00 0.00 30 D 8.61 4.82 0.00 2.90 2.87 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 0.00 0.00 0.00 31 A 8.43 4.62 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 32 F 9.11 3.56 0.00 3.08 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 33 C 9.35 4.19 0.00 3.41 3.31 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 34 S 8.11 4.33 0.00 4.08 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 35 S 7.55 4.76 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 4.78 0.00 1.80 1.86 0.00 3.28 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 37 G 10.25 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 9.34 3.74 0.00 1.95 1.90 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.34 7.81 39 V 7.12 4.15 2.31 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 1.06 0.00 0.00 0.98 0.00 0.00 40 V 7.85 4.70 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 0.89 0.00 0.00 1.02 0.00 0.00 41 E 8.45 4.51 0.00 1.90 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 42 L 7.97 3.76 0.00 1.96 1.72 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.42 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.70 4.18 0.00 3.12 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 45 A 7.92 4.43 0.30 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 46 A 8.08 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.15 4.39 4.19 0.00 0.00 0.00 0.00 0.00 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 48 C 8.48 4.92 0.00 2.99 2.99 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 49 P 0.00 4.24 0.00 2.23 2.15 0.00 3.89 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 2.01 1.95 0.00 50 S 7.61 4.46 0.00 4.09 3.96 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 0.00 0.00 0.00 51 K 7.89 4.63 0.00 1.84 1.81 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.14 1.28 7.81 52 K 7.73 4.63 0.00 1.61 1.66 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.34 7.81 53 P 0.00 4.14 0.00 1.59 1.82 0.00 3.43 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.57 0.00 54 Y 5.71 4.47 0.00 2.97 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 55 E 8.78 4.59 0.00 1.83 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 56 E 7.62 5.97 0.00 1.98 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 0.00 2.10 1.72 0.00 57 V 7.20 4.01 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.68 0.00 0.00 58 T 7.82 4.45 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 1.21 0.00 0.00 59 C 8.31 4.31 0.00 3.31 3.32 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 0.00 60 C 8.09 4.81 0.00 3.05 3.05 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 61 S 7.84 4.60 0.00 3.98 3.92 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 0.00 0.00 0.00 62 T 8.74 3.81 4.24 0.00 0.00 0.00 0.00 0.00 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 63 D 7.15 4.82 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.55 4.13 0.00 1.62 1.69 0.00 1.47 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.64 7.81 65 C 8.30 4.32 0.00 2.94 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 66 N 7.95 4.42 0.00 2.57 2.72 0.00 0.00 6.97 8.02 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 67 P 0.00 4.03 0.00 2.18 1.92 0.00 3.82 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 1.98 1.98 0.00 68 H 8.13 4.31 0.00 3.12 3.28 0.00 5.90 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.25 0.00 2.19 2.11 0.00 3.86 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 2.01 1.98 0.00 70 K 8.65 3.71 0.00 2.03 2.08 0.00 1.50 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.53 7.81 71 Q 7.64 3.45 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 72 R 7.80 4.66 0.00 1.77 1.79 0.00 3.20 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 73 P 0.00 4.90 0.00 2.02 2.06 0.00 4.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 74 G 8.06 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00