NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.2004 8.0549 114.0041 61.3985 33.3848 174.2373 2 R 4.3996 8.9368 121.4293 54.7252 32.3720 174.0700 3 D 4.7504 8.3531 120.8504 52.7068 44.7876 174.8829 4 G 3.5825 6.9265 108.4702 45.2997 0.0000 171.2872 5 Y 4.6626 8.2820 117.3875 57.7982 39.0402 175.3554 6 I 4.3648 8.5875 124.2435 60.1543 39.7603 174.4711 7 A 4.6505 8.2375 130.7410 51.2568 20.6936 175.0256 8 Q 4.4211 7.9364 112.2411 53.9748 32.0586 174.3184 9 P 4.6616 0.0000 0.0000 63.7849 31.9038 175.9301 10 E 4.1905 7.7424 120.0872 56.6760 29.8471 175.6298 11 N 4.0220 8.0264 110.8678 55.5584 37.7384 172.5592 12 C 5.5954 7.5971 116.4674 55.5647 43.6127 173.3670 13 V 4.4268 7.8138 112.4546 61.1001 35.6840 173.8177 14 Y 4.7029 7.9792 117.8074 57.3383 40.0425 174.4918 15 H 4.9488 8.5169 116.0027 55.1334 32.9566 172.6080 16 C 4.7560 8.4817 119.5788 54.6638 46.5781 172.8221 17 F 5.1079 8.0185 121.0541 54.8227 40.1681 173.6332 18 P 4.3984 0.0000 0.0000 64.2332 30.4594 176.2007 19 G 3.9872 7.7236 111.2566 46.0717 0.0000 169.8639 20 S 4.3375 8.2870 112.9189 61.2871 63.7267 176.2546 21 S 4.0533 8.4283 117.5553 61.5192 62.2912 176.3589 22 G 3.7217 7.6036 107.4733 46.6076 0.0000 173.1465 23 C 4.3644 7.5840 115.0197 55.4464 40.2456 175.2203 24 D 4.2876 8.3400 122.0855 57.6624 40.6445 178.1073 25 T 3.8981 7.4740 116.1950 66.4725 68.4659 176.7349 26 L 3.9299 7.6551 120.4839 57.8141 41.5655 178.5583 27 C 4.1614 8.5186 118.7650 59.6973 42.8275 175.8585 28 K 4.0158 7.8945 120.0873 59.5375 31.4917 179.1124 29 E 4.1502 7.7736 115.9689 58.8231 29.7562 178.7098 30 K 4.2285 7.9827 119.1548 57.9298 32.3825 177.0124 31 G 4.2069 8.1285 108.3907 45.8618 0.0000 173.4950 32 G 4.1500 8.4764 108.7341 43.4977 0.0000 174.4283 33 T 4.5105 8.1462 111.9281 60.9548 69.2617 174.1962 34 S 4.6753 7.5996 116.3185 58.3385 67.3812 173.4735 35 G 4.3747 8.0914 107.4879 46.3873 0.0000 171.9668 36 H 4.9391 9.2981 118.1961 55.5863 33.7956 171.4697 37 C 5.2090 8.5232 117.1280 56.6956 43.0492 172.5053 38 G 4.3692 8.0563 105.5460 46.5217 0.0000 172.1053 39 F 4.9516 9.1779 121.2975 56.0765 42.4799 174.1653 40 K 3.9041 8.4371 127.6127 54.0333 33.6614 174.9599 41 V 4.1623 8.2879 127.5633 63.0101 32.2518 174.5662 42 G 3.9206 8.7933 119.0110 46.1664 0.0000 173.2950 43 H 4.6296 8.5608 114.2658 54.3282 31.6940 177.6700 44 G 3.5200 7.2128 107.3028 45.7641 0.0000 170.5904 45 L 3.5746 7.2629 123.1050 55.0117 43.0790 177.4512 46 A 5.0328 8.7067 125.5987 50.1509 23.3829 173.3200 47 C 5.4614 8.5639 113.7959 55.1989 43.5105 173.0953 48 W 5.5919 9.1382 128.3992 56.4218 33.7478 173.0977 49 C 5.3422 7.7107 120.4621 55.4892 42.2922 172.6556 50 N 5.0478 8.6769 117.4774 51.7158 42.0235 174.3215 51 A 3.3963 8.3987 123.5572 53.0050 16.2089 177.6570 52 L 4.5250 7.7564 121.6087 53.4099 43.4739 176.0808 53 P 4.6818 0.0000 0.0000 62.2264 31.9473 177.2988 54 D 4.4272 8.5386 119.6948 56.8996 40.7326 177.3477 55 N 4.5787 7.9994 114.5176 53.0370 37.9763 175.0846 56 V 4.1829 7.5686 119.2134 61.8837 32.9833 174.9875 57 G 4.3649 8.0957 111.6091 44.0807 0.0000 172.3089 58 I 4.2695 7.6786 115.9456 59.7064 41.0737 174.7904 59 I 4.0761 7.8128 122.3012 61.1285 37.6291 175.6592 60 V 4.5981 8.0067 123.5412 62.0302 34.9900 173.2936 61 E 4.8358 8.3691 122.3785 55.4811 32.4029 173.1432 62 G 3.6013 8.4118 117.0066 45.4625 0.0000 173.2944 63 E 4.5655 7.4605 124.7794 55.0405 29.3012 173.4614 64 K 4.3836 8.0351 118.0822 55.1311 35.3300 175.5015 65 C 5.2936 8.6638 120.8983 56.3242 44.0794 172.0535 66 H 5.0541 8.0063 119.0093 54.4673 31.8483 173.4683 67 S 4.3770 8.3440 113.9659 59.5363 63.3882 176.9965 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 V 8.05 4.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 2 R 8.94 4.40 0.00 1.65 1.72 0.00 3.09 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 3 D 8.35 4.75 0.00 2.51 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.93 3.58 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 0.00 0.00 0.00 5 Y 8.28 4.66 0.00 2.97 3.01 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 6 I 8.59 4.36 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.38 0.99 0.00 0.00 7 A 8.24 4.65 1.11 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 0.00 0.00 8 Q 7.94 4.42 0.00 1.76 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 9 P 0.00 4.66 0.00 2.13 2.23 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 10 E 7.74 4.19 0.00 1.92 1.56 0.00 0.00 0.00 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 11 N 8.03 4.02 0.00 2.96 3.04 0.00 0.00 6.86 7.78 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 12 C 7.60 5.60 0.00 3.02 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 13 V 7.81 4.43 1.89 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 0.40 0.00 0.00 0.82 0.00 0.00 14 Y 7.98 4.70 0.00 3.00 2.71 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 0.00 0.00 0.00 0.00 15 H 8.52 4.95 0.00 3.05 3.16 0.00 5.83 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.48 4.76 0.00 3.08 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 17 F 8.02 5.11 0.00 3.08 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 18 P 0.00 4.40 0.00 2.11 2.13 0.00 3.98 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 19 G 7.72 3.99 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 0.00 0.00 0.00 20 S 8.29 4.34 0.00 4.12 4.14 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 21 S 8.43 4.05 0.00 4.02 4.05 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 22 G 7.60 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 23 C 7.58 4.36 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 24 D 8.34 4.29 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.47 3.90 4.34 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 1.20 0.00 0.00 26 L 7.66 3.93 0.00 1.66 1.60 0.14 0.73 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 27 C 8.52 4.16 0.00 3.07 3.20 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 28 K 7.89 4.02 0.00 2.01 1.83 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.66 7.81 29 E 7.77 4.15 0.00 2.07 2.07 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 2.54 2.39 0.00 30 K 7.98 4.23 0.00 1.75 1.90 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.69 1.64 7.81 31 G 8.13 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 0.00 0.00 0.00 0.00 32 G 8.48 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.51 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 1.20 0.00 0.00 34 S 7.60 4.68 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 4.37 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 0.00 0.00 0.00 36 H 9.30 4.94 0.00 3.22 3.24 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.52 5.21 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 38 G 8.06 4.37 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 0.00 0.00 0.00 39 F 9.18 4.95 0.00 3.07 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 40 K 8.44 3.90 0.00 0.89 1.26 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.77 1.16 7.81 41 V 8.29 4.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.01 0.00 0.00 42 G 8.79 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 0.00 0.00 0.00 43 H 8.56 4.63 0.00 3.07 3.13 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.21 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.26 3.57 0.00 1.51 1.52 1.12 0.92 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 46 A 8.71 5.03 1.13 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 0.00 0.00 47 C 8.56 5.46 0.00 2.92 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 9.14 5.59 0.00 3.38 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.71 5.34 0.00 2.63 2.71 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 0.00 0.00 0.00 0.00 50 N 8.68 5.05 0.00 2.75 2.72 0.00 0.00 7.62 7.70 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 51 A 8.40 3.40 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 4.52 0.00 1.62 1.52 0.80 0.85 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 53 P 0.00 4.68 0.00 2.29 1.95 0.00 3.57 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 2.09 2.08 0.00 54 D 8.54 4.43 0.00 2.65 2.72 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 0.00 0.00 0.00 55 N 8.00 4.58 0.00 2.81 2.91 0.00 0.00 5.92 7.66 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 56 V 7.57 4.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.96 0.00 0.00 57 G 8.10 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.68 4.27 2.06 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.82 0.00 0.00 59 I 7.81 4.08 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.19 0.71 0.00 0.00 60 V 8.01 4.60 2.24 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 0.71 0.00 0.00 0.97 0.00 0.00 61 E 8.37 4.84 0.00 2.02 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 2.21 2.44 0.00 62 G 8.41 3.60 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 0.00 0.00 0.00 0.00 63 E 7.46 4.57 0.00 1.96 1.82 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 2.21 2.18 0.00 64 K 8.04 4.38 0.00 1.65 1.62 0.00 1.62 0.00 0.00 1.46 0.00 0.00 3.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.29 1.43 7.81 65 C 8.66 5.29 0.00 3.09 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 66 H 8.01 5.05 0.00 3.15 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.34 4.38 0.00 3.68 3.68 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 0.00 0.00 0.00