NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0175 7.9133 120.3916 62.6609 32.7007 174.5674 6 R 4.0448 8.0501 122.2662 56.0612 30.9672 176.4581 7 I 3.4701 8.6756 118.9901 61.3212 36.1972 174.7719 8 K 4.1468 7.1818 119.0726 56.0800 34.4374 177.6924 9 L 3.3324 7.5005 116.0131 54.4551 41.2533 175.0753 10 L 4.4667 8.1695 124.4250 55.7507 41.7150 175.2313 11 L 5.1468 7.7905 119.1484 56.1928 44.1879 173.2357 12 E 5.0789 8.5055 116.8102 54.8777 33.4266 175.4225 13 C 5.7891 8.7092 118.1221 57.7084 31.8979 172.8187 14 T 5.3563 8.1249 115.1082 58.8284 69.9662 172.6448 15 E 3.7109 8.6113 129.9821 56.2814 30.4089 178.0815 16 C 4.2889 8.3141 122.4624 61.0506 28.5277 173.0122 17 K 3.4895 8.2790 115.4924 62.6837 29.0364 174.6640 18 R 2.8076 8.6806 114.4599 56.3627 32.6269 177.1427 19 R 3.0048 8.6353 121.3613 55.9974 30.2792 178.1201 20 N 3.7681 7.1705 112.1831 52.7924 38.2190 173.3298 21 Y 5.7503 8.6164 118.7050 55.8221 41.9014 173.9636 22 A 4.7217 8.8785 120.2618 53.5017 25.8085 173.1362 23 T 3.6807 8.2186 112.4014 61.3099 71.1352 169.9357 24 E 4.5579 8.1919 127.1680 55.0112 30.6265 175.8910 25 K 4.6881 8.4625 126.8398 56.2866 35.9772 175.7244 26 N 4.9806 7.9098 121.6786 52.6199 38.1024 175.5802 27 K 5.0309 8.9652 127.9085 59.9052 35.9774 179.5363 28 R 3.0519 8.7308 113.8834 55.7894 30.9236 176.9189 29 N 4.3593 9.6120 124.2191 56.8488 37.9409 176.3323 30 T 3.9623 7.8735 113.7217 61.3037 67.9256 169.6031 31 P 4.3851 0.0000 0.0000 61.9354 30.2711 173.8540 32 N 4.7768 9.0218 116.7205 52.3376 43.9228 173.7595 33 K 4.2922 8.8309 124.6518 56.3777 30.8533 178.7858 34 L 4.8073 8.7388 110.3795 52.4184 44.7211 175.4065 35 E 4.1763 7.9704 119.3005 56.2971 31.2020 175.6636 36 L 5.2237 8.2341 121.2916 55.2124 45.4363 173.4165 37 R 4.7029 8.6693 122.4387 54.1944 32.3572 174.6310 38 K 4.0412 8.6789 123.3697 56.7971 32.6141 174.6022 39 Y 4.4903 8.6098 125.6668 56.6749 42.5001 172.1788 40 C 5.2250 8.5560 124.9465 56.5225 32.9212 170.8315 41 P 5.0600 0.0000 0.0000 60.9692 32.7219 174.8676 42 W 4.8495 8.4195 131.5452 60.8625 31.5652 175.2180 43 C 3.9840 7.9514 125.4525 62.6931 27.6856 174.0589 44 R 4.3027 8.3343 124.4237 55.3132 27.2729 174.9530 45 K 4.5695 8.1527 122.0918 58.1726 32.3616 176.5465 46 H 5.0733 8.7087 124.6161 56.1708 31.2343 173.4072 47 T 4.8056 9.1797 117.6186 62.2187 66.2458 175.0435 48 V 4.3385 8.0007 108.4790 59.7124 34.9819 173.3454 49 H 5.1993 8.5604 116.8224 56.5502 28.4602 174.3504 50 R 5.0824 7.9104 116.6845 54.1158 32.6083 174.0518 51 E 4.5705 8.2705 120.1937 55.3596 30.1551 175.7353 52 V 4.6391 8.9642 122.9415 61.7347 32.9629 171.7067 53 K 3.7037 8.1078 122.6679 57.4526 31.9285 174.9810 54 I 3.9069 8.2422 108.4968 60.8769 37.5681 175.7945 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 4.04 0.00 2.03 1.82 0.00 3.27 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 8.68 3.47 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 0.63 0.91 0.00 0.00 8 K 7.18 4.15 0.00 1.63 1.93 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.36 7.81 9 L 7.50 3.33 0.00 1.93 2.07 0.92 0.42 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 8.17 4.47 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 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.79 5.15 0.00 1.63 1.79 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.51 5.08 0.00 2.01 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 2.19 2.25 0.00 13 C 8.71 5.79 0.00 2.76 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 5.36 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 1.14 0.00 0.00 15 E 8.61 3.71 0.00 1.79 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 2.22 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 8.28 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 8.68 2.81 0.00 1.79 2.18 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 8.64 3.00 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 7.17 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 8.62 5.75 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 8.88 4.72 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 3.68 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 8.19 4.56 0.00 1.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 25 K 8.46 4.69 0.00 1.64 1.60 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.45 7.81 26 N 7.91 4.98 0.00 2.76 2.42 0.00 0.00 6.77 7.59 0.00 0.00 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 8.97 5.03 0.00 1.74 1.71 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 8.73 3.05 0.00 1.92 2.03 0.00 3.29 0.00 0.00 3.27 7.84 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 9.61 4.36 0.00 2.80 2.97 0.00 0.00 5.85 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 7.87 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 1.21 0.00 0.00 31 P 0.00 4.39 0.00 2.09 2.00 0.00 3.75 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 9.02 4.78 0.00 2.94 2.70 0.00 0.00 6.74 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 33 K 8.83 4.29 0.00 1.70 1.13 0.00 1.72 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 1.34 1.44 7.81 34 L 8.74 4.81 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 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.97 4.18 0.00 2.13 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 8.23 5.22 0.00 1.58 1.53 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.67 4.70 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 8.68 4.04 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 4.49 0.00 3.16 2.45 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 40 C 8.56 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 4.34 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 2.12 2.02 0.00 42 W 8.42 4.85 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 7.95 3.98 0.00 3.03 2.92 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 44 R 8.33 4.30 0.00 1.85 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 1.53 0.00 45 K 8.15 4.57 0.00 1.78 1.21 0.00 1.64 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 8.71 5.07 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 9.18 4.81 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 1.39 0.00 0.00 48 V 8.00 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 0.92 0.00 0.00 49 H 8.56 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 1.91 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 8.27 4.57 0.00 1.98 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 8.96 4.64 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 0.88 0.00 0.00 0.98 0.00 0.00 53 K 8.11 3.70 0.00 1.93 1.67 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.46 7.81 54 I 8.24 3.91 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 0.55 0.89 0.00 0.00