NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4041 8.3049 120.3483 55.5218 32.7623 174.2242 2 K 4.4396 7.8810 129.2434 54.0888 34.7146 175.2641 3 S 4.1994 9.6538 114.6169 62.2830 63.2498 176.2148 4 I 3.9727 7.8374 118.9853 61.4927 37.4602 176.0136 5 G 3.9644 7.6007 105.9030 46.7363 0.0000 173.6169 6 V 4.5083 7.8360 111.2560 58.8445 34.8047 175.7268 7 V 4.5169 8.2347 122.1739 59.7809 33.9145 175.0882 8 R 4.6683 8.3516 120.1275 54.3205 33.1677 175.0266 9 K 4.4826 8.2991 120.1330 54.2190 33.7438 176.7927 10 V 3.7408 8.3184 123.5579 63.0885 31.9268 174.9692 11 D 4.4310 9.0605 127.0364 55.3906 41.4017 176.3847 12 E 5.2151 7.5923 126.4128 57.2803 31.2473 177.9133 13 L 4.0637 7.7105 116.2218 56.4569 41.7812 177.2403 14 G 3.7413 8.2244 104.4758 45.0309 0.0000 173.9713 15 R 4.0818 8.0428 121.3671 55.8089 30.6104 175.7661 16 I 4.7450 8.0050 115.2217 59.1446 40.8837 174.2533 17 V 4.2586 8.1221 119.4851 60.1271 32.0509 175.2366 18 M 4.3067 8.4369 125.0057 53.9160 33.0172 174.6186 19 P 4.6803 0.0000 0.0000 61.3829 33.3419 176.4499 20 I 3.6303 8.3763 118.1660 64.5817 37.5067 177.3043 21 E 3.8839 8.2676 118.7622 59.4634 29.2304 179.0496 22 L 3.9918 8.0236 120.1711 58.1301 42.1848 179.2409 23 R 3.9324 7.8364 117.5296 59.2457 29.8801 178.9988 24 R 3.8527 8.4982 116.7687 59.3244 30.2227 178.4742 25 A 4.1615 8.2241 119.3218 53.7276 18.5674 178.6181 26 L 3.9770 8.2415 115.8133 54.6652 41.8244 177.2771 27 D 5.1905 8.4190 126.5063 55.4822 44.2009 175.2398 28 I 4.4618 7.8330 119.4468 59.7600 39.4277 174.7469 29 A 4.6127 7.9436 125.2930 53.1142 20.8552 176.2316 30 I 4.6685 7.4552 110.7842 61.5364 44.7536 175.4111 31 K 4.4666 7.9617 116.5180 56.1595 36.0758 178.7439 32 D 4.1139 7.9144 114.1494 53.0264 41.1008 176.8320 33 S 5.5287 7.8603 125.7827 58.5239 66.4553 174.6835 34 I 5.0483 8.3008 125.8591 59.4277 40.0717 174.5282 35 E 4.1259 9.4698 128.5484 54.1633 32.0464 174.6170 36 F 5.8175 7.9119 124.2254 56.0262 42.0653 174.4524 37 F 5.0203 9.6286 123.8700 56.3966 42.6363 174.4787 38 V 4.8921 7.6750 122.0838 60.1492 33.9779 174.7330 39 D 4.7946 9.6002 126.0484 52.4755 41.3182 175.3874 40 G 4.2278 8.5742 114.9787 45.1684 0.0000 171.0860 41 D 4.9611 8.3730 116.7864 52.0849 41.1109 175.8646 42 K 4.7933 8.1898 119.4581 55.6591 36.1436 174.6724 43 I 5.2448 8.3900 123.8060 59.6146 40.6961 174.9568 44 I 4.7978 9.2522 125.1911 59.5855 40.9483 174.5126 45 L 5.6574 8.6487 124.6589 53.0016 45.2378 175.8655 46 K 4.7323 8.9724 120.4788 54.9471 36.5851 175.4270 47 K 5.2752 8.5193 122.0054 55.7557 32.8121 176.3216 48 Y 4.0453 8.7953 127.4150 60.7867 39.1661 177.5039 49 K 3.7982 8.4141 118.9518 59.0297 32.3162 175.2421 50 P 4.3479 0.0000 0.0000 64.0318 31.9627 175.5078 51 H 4.2546 9.2493 122.1095 56.8026 26.5400 175.5582 52 G 3.9029 7.1005 110.2589 45.8659 0.0000 174.4270 53 V 3.7316 7.3383 120.0005 60.2842 32.1945 175.9392 54 C 3.9993 8.6509 114.4270 58.8961 29.0842 173.9188 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 M 8.30 4.40 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 7.88 4.44 0.00 1.93 1.74 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 S 9.65 4.20 0.00 3.82 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.97 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 1.35 0.68 0.91 0.00 0.00 5 G 7.60 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 0.00 0.00 0.00 6 V 7.84 4.51 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 0.87 0.00 0.00 0.93 0.00 0.00 7 V 8.23 4.52 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 0.76 0.00 0.00 0.92 0.00 0.00 8 R 8.35 4.67 0.00 1.73 1.81 0.00 3.22 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 9 K 8.30 4.48 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.33 7.81 10 V 8.32 3.74 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 0.74 0.00 0.00 0.90 0.00 0.00 11 D 9.06 4.43 0.00 2.61 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 12 E 7.59 5.22 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 13 L 7.71 4.06 0.00 1.72 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.22 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 0.00 0.00 0.00 15 R 8.04 4.08 0.00 1.88 1.87 0.00 3.08 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 16 I 8.00 4.74 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.93 0.00 0.00 17 V 8.12 4.26 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 0.87 0.00 0.00 0.93 0.00 0.00 18 M 8.44 4.31 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 19 P 0.00 4.68 0.00 2.21 2.17 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 20 I 8.38 3.63 1.88 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 1.64 1.20 0.92 0.00 0.00 21 E 8.27 3.88 0.00 2.02 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 2.41 2.33 0.00 22 L 8.02 3.99 0.00 1.73 1.91 0.97 0.88 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 23 R 7.84 3.93 0.00 2.04 2.18 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 24 R 8.50 3.85 0.00 1.90 2.00 0.00 3.19 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 25 A 8.22 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 3.98 0.00 1.74 1.48 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.42 5.19 0.00 2.64 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 28 I 7.83 4.46 1.90 0.00 0.00 0.90 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 0.90 1.06 0.00 0.00 29 A 7.94 4.61 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 30 I 7.46 4.67 1.88 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 1.42 0.93 0.92 0.00 0.00 31 K 7.96 4.47 0.00 1.73 1.77 0.00 1.92 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.39 7.81 32 D 7.91 4.11 0.00 2.88 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 0.00 0.00 0.00 0.00 33 S 7.86 5.53 0.00 3.94 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 34 I 8.30 5.05 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.63 1.15 0.00 0.00 35 E 9.47 4.13 0.00 2.02 1.78 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 2.16 2.11 0.00 36 F 7.91 5.82 0.00 3.01 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 37 F 9.63 5.02 0.00 3.06 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 38 V 7.68 4.89 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 0.66 0.00 0.00 1.00 0.00 0.00 39 D 9.60 4.79 0.00 2.94 2.68 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 40 G 8.57 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 0.00 0.00 0.00 0.00 41 D 8.37 4.96 0.00 2.75 2.70 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 0.00 0.00 0.00 42 K 8.19 4.79 0.00 1.84 1.88 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.42 7.81 43 I 8.39 5.24 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 1.37 1.04 0.94 0.00 0.00 44 I 9.25 4.80 2.06 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.12 0.90 0.00 0.00 45 L 8.65 5.66 0.00 1.55 1.66 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.97 4.73 0.00 1.67 1.78 0.00 1.20 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.52 1.37 7.81 47 K 8.52 5.28 0.00 1.77 1.78 0.00 1.67 0.00 0.00 2.43 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.49 7.81 48 Y 8.80 4.05 0.00 3.05 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 49 K 8.41 3.80 0.00 1.82 1.88 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.57 7.81 50 P 0.00 4.35 0.00 2.13 2.00 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 51 H 9.25 4.25 0.00 3.24 3.44 0.00 5.77 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 52 G 7.10 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.34 3.73 2.06 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 0.92 0.00 0.00 0.93 0.00 0.00 54 C 8.65 4.00 0.00 3.20 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