NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0215 7.9133 120.3917 62.6498 32.5545 174.5658 6 R 4.1165 8.0485 122.2427 56.0989 31.1442 176.4408 7 I 3.4779 8.7068 119.2177 61.2752 36.1599 174.7279 8 K 4.1383 7.1284 118.6413 56.0217 34.3912 177.6018 9 L 3.3354 7.5308 115.8247 54.3070 41.3604 175.1472 10 L 4.4807 8.1609 123.9321 55.7224 41.6731 175.1881 11 L 5.1524 7.8132 118.9067 56.1953 44.1781 173.2504 12 E 5.0336 8.4978 116.7806 54.8834 33.3826 175.4538 13 C 5.7669 8.7092 118.3743 57.7474 31.7570 172.7678 14 T 5.3462 8.1187 115.2280 58.8223 69.9623 172.6482 15 E 3.7315 8.5896 129.9593 56.2791 30.4179 178.1144 16 C 4.2934 8.3112 122.3620 61.0376 28.5151 173.0696 17 K 3.4950 8.2955 115.6942 62.5027 29.0489 174.7396 18 R 2.8104 8.7129 114.4374 56.4359 32.5546 177.2454 19 R 2.9861 8.6780 121.3260 56.0350 30.2852 178.1718 20 N 3.7671 7.1956 112.2995 52.8340 38.2014 173.3258 21 Y 5.7224 8.6048 118.8433 55.8523 41.8898 173.9085 22 A 4.7259 8.8997 120.3398 53.5830 25.8970 173.0922 23 T 3.6880 8.2180 112.5300 61.2983 71.1065 169.9637 24 E 4.5686 8.1799 127.2952 55.0267 30.5350 175.8666 25 K 4.7521 8.4663 126.8187 56.2804 36.0066 175.6689 26 N 4.9789 7.9548 121.7542 52.5614 38.0582 175.6299 27 K 5.1333 8.9917 129.0240 59.9264 35.9596 179.5588 28 R 3.0302 8.7115 113.7852 55.8467 30.9175 176.9524 29 N 4.3635 9.5874 124.1070 56.8333 37.9981 176.3699 30 T 3.9617 7.8616 113.6987 61.3361 67.9264 169.6894 31 P 4.4259 0.0000 0.0000 61.9264 30.1845 173.8507 32 N 4.7565 8.9882 116.5842 52.3894 43.8671 173.8153 33 K 4.3085 8.7917 124.8444 56.3845 30.7903 178.8701 34 L 4.8025 8.7286 110.4847 52.4286 44.7666 175.3732 35 E 4.1782 7.9757 119.9472 56.2785 31.1952 175.6583 36 L 5.1199 8.2358 121.4241 55.2300 45.4270 173.4023 37 R 4.7058 8.6557 122.3946 54.1836 32.3726 174.6630 38 K 4.0312 8.7068 123.3569 56.8569 32.5776 174.6423 39 Y 4.5170 8.6098 125.7489 56.6494 42.5241 172.2130 40 C 5.2252 8.5761 124.9588 56.5461 32.8790 170.8298 41 P 5.0623 0.0000 0.0000 60.9568 32.7334 174.8665 42 W 4.8424 8.4221 131.5067 60.8570 31.5626 175.1708 43 C 3.9674 7.9564 125.4640 62.7826 27.7544 174.0448 44 R 4.2969 8.3507 124.5113 55.3558 27.1939 174.9274 45 K 4.5783 8.1682 122.2397 58.1551 32.4048 176.2442 46 H 5.0456 8.6996 124.5552 56.2526 31.1708 173.2852 47 T 4.7946 9.2183 117.5003 62.2395 66.0961 175.0378 48 V 4.3418 7.9946 108.4476 59.5613 35.0196 173.3805 49 H 5.1978 8.5850 116.6945 56.5992 28.4691 174.3593 50 R 5.0797 7.9077 116.6688 54.1302 32.5918 174.0337 51 E 4.5472 8.3402 119.8187 55.2620 30.1386 175.8056 52 V 4.5923 8.9079 123.0652 61.7527 33.0117 171.7167 53 K 3.7099 8.1624 122.5121 57.4231 31.9414 174.9279 54 I 3.9048 8.2334 108.2430 60.8879 37.5575 175.8457 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 7.91 4.02 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 0.97 0.00 0.00 0.93 0.00 0.00 6 R 8.05 4.12 0.00 2.03 1.82 0.00 3.26 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 7 I 8.71 3.48 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 0.42 0.91 0.00 0.00 8 K 7.13 4.14 0.00 1.65 1.93 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.37 7.81 9 L 7.53 3.34 0.00 1.94 2.06 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.16 4.48 0.00 1.76 1.69 0.91 0.61 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 11 L 7.81 5.15 0.00 1.63 1.79 0.92 1.01 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 12 E 8.50 5.03 0.00 2.01 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 0.00 2.19 2.24 0.00 13 C 8.71 5.77 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 5.35 3.66 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 0.00 0.00 0.00 1.09 0.00 0.00 15 E 8.59 3.73 0.00 1.76 1.70 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 2.22 2.33 0.00 16 C 8.31 4.29 0.00 2.97 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 K 8.30 3.49 0.00 2.10 1.86 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.45 7.81 18 R 8.71 2.81 0.00 1.79 2.17 0.00 3.41 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 19 R 8.68 2.99 0.00 1.88 1.76 0.00 3.31 0.00 0.00 3.23 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 20 N 7.20 3.77 0.00 2.75 3.00 0.00 0.00 6.60 7.48 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 21 Y 8.60 5.72 0.00 2.86 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 22 A 8.90 4.73 1.26 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 23 T 8.22 3.69 4.38 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 1.22 0.00 0.00 24 E 8.18 4.57 0.00 1.87 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 2.06 2.18 0.00 25 K 8.47 4.75 0.00 1.64 1.60 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.45 7.81 26 N 7.95 4.98 0.00 2.76 2.38 0.00 0.00 6.78 7.63 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 27 K 8.99 5.13 0.00 1.75 1.72 0.00 1.77 0.00 0.00 2.09 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.14 7.81 28 R 8.71 3.03 0.00 1.92 2.04 0.00 3.28 0.00 0.00 3.27 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 29 N 9.59 4.36 0.00 2.80 2.97 0.00 0.00 5.86 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 30 T 7.86 3.96 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 1.25 0.00 0.00 31 P 0.00 4.43 0.00 2.09 1.99 0.00 3.76 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 2.03 2.16 0.00 32 N 8.99 4.76 0.00 2.94 2.70 0.00 0.00 6.74 7.53 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 33 K 8.79 4.31 0.00 1.70 1.11 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.44 7.81 34 L 8.73 4.80 0.00 1.64 1.53 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.98 4.18 0.00 2.06 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 2.27 2.27 0.00 36 L 8.24 5.12 0.00 1.58 1.53 0.96 0.86 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 37 R 8.66 4.71 0.00 1.87 1.87 0.00 3.16 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 38 K 8.71 4.03 0.00 1.81 1.82 0.00 1.63 0.00 0.00 2.27 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.64 7.81 39 Y 8.61 4.52 0.00 3.14 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.58 5.23 0.00 2.39 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 41 P 0.00 5.06 0.00 2.41 2.20 0.00 4.35 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 42 W 8.42 4.84 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 7.96 3.97 0.00 3.03 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 44 R 8.35 4.30 0.00 1.86 2.09 0.00 3.15 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 45 K 8.17 4.58 0.00 1.78 1.27 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.38 7.81 46 H 8.70 5.05 0.00 3.15 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.22 4.79 4.28 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 1.35 0.00 0.00 48 V 7.99 4.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 49 H 8.58 5.20 0.00 3.59 3.36 0.00 6.03 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.91 5.08 0.00 1.98 1.97 0.00 2.94 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 51 E 8.34 4.55 0.00 2.03 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 2.33 2.25 0.00 52 V 8.91 4.59 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 53 K 8.16 3.71 0.00 1.93 1.71 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.46 7.81 54 I 8.23 3.90 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 0.89 0.00 0.00