NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4599 8.3301 115.4199 56.5970 65.7848 176.3412 2 A 4.8865 7.7310 130.1362 49.5476 22.0660 170.7464 3 V 4.5293 8.1223 104.0764 60.8712 33.3200 172.7769 4 I 4.2606 7.1590 112.3718 61.6810 40.5294 173.4259 5 S 4.4214 6.1358 113.6391 58.5025 64.2665 178.2335 6 L 5.1059 8.5833 121.0567 56.1613 41.4034 177.4590 7 D 4.8998 7.8612 116.1176 54.1117 41.8144 175.8203 8 E 4.7001 7.8749 116.0772 57.0846 30.7259 176.0306 9 F 4.8651 8.2537 116.4204 57.9336 39.3007 176.3646 10 E 5.1865 7.9319 117.6620 55.8815 29.7446 176.6392 11 N 4.6128 8.2355 117.8104 55.2483 39.5369 175.5528 12 K 4.5429 7.8071 115.6715 55.3553 34.1470 177.5760 13 T 4.3910 8.2619 120.1017 64.0391 67.4765 175.4942 14 L 3.7811 7.6971 123.2409 54.5940 39.6749 173.1545 15 D 4.5851 7.3053 122.7523 55.3557 47.3800 178.7113 16 E 4.2638 8.4176 117.1282 58.4433 29.5389 178.0294 17 I 4.2355 7.2514 107.4813 61.3826 39.6898 174.8148 18 I 4.5425 7.5222 122.6380 60.5480 39.5600 174.1467 19 G 4.1963 8.8373 112.8677 45.8312 0.0000 175.8159 20 F 4.2585 9.8665 123.6106 60.7305 40.4227 175.0407 21 Y 4.3103 8.5153 116.7386 59.7845 36.9926 177.9481 22 E 3.4051 8.7187 120.9350 59.4505 29.7483 178.2974 23 A 3.9952 7.6168 120.5582 55.0737 17.1485 178.9900 24 Q 4.0121 7.5697 113.1793 57.1572 28.4897 177.8471 25 V 2.9311 7.8715 121.2497 64.7166 31.8362 177.7178 26 L 3.7379 6.6146 117.9537 57.5569 41.4922 179.2945 27 K 3.8567 7.4608 119.1429 58.4334 31.8668 178.4345 28 L 4.0045 6.7325 118.3092 57.8883 42.2352 178.1843 29 F 3.0151 8.6984 118.0169 60.8751 38.7267 177.1618 30 Y 3.7168 8.6492 119.8643 59.4510 38.3299 177.3498 31 A 4.0819 7.2946 119.8154 54.1096 18.8691 178.6782 32 E 4.2961 8.5130 117.9862 57.8465 30.1609 176.5373 33 Y 4.5728 7.3528 123.5541 55.6160 37.2659 173.7653 34 P 3.9807 0.0000 0.0000 62.3700 32.4860 174.7230 35 S 3.3379 8.2795 115.1559 58.4556 60.8078 172.3685 36 T 3.8668 8.2314 124.9856 66.8269 67.8556 175.9181 37 R 3.4607 7.5114 119.0015 59.4969 30.3464 178.4839 38 K 4.0638 7.7987 117.3046 58.7379 32.1310 179.1478 39 L 3.9593 8.1958 121.4705 58.0134 42.0526 178.7323 40 A 4.0699 8.4956 120.6371 54.6057 17.9987 179.3242 41 Q 3.8645 7.3660 117.9430 59.0616 29.3522 177.9111 42 R 4.0154 7.4999 118.3515 58.1602 30.2159 177.6331 43 L 4.4840 6.7258 116.9497 52.3828 42.5815 177.1766 44 G 3.9072 7.7606 107.0241 45.8503 0.0000 172.5530 45 V 4.3464 7.9486 115.5301 61.2104 36.5324 173.5780 46 S 4.5371 8.4864 114.5595 60.4563 63.3273 178.4980 47 H 3.9838 8.3724 117.2905 56.7232 31.2265 175.9295 48 T 3.7372 8.1784 113.1888 66.8229 69.0439 175.3183 49 A 3.9724 7.8339 122.1154 55.1657 18.3697 179.3222 50 I 3.6144 7.7983 116.3871 64.4261 37.9546 177.3977 51 A 4.0315 8.4631 121.7741 55.1331 18.1358 178.6824 52 N 4.1825 8.5793 115.2168 57.2264 38.7548 176.6540 53 K 4.0104 7.8573 118.2045 59.5730 32.6400 178.3820 54 L 3.6241 7.6313 117.4247 56.0731 40.5936 178.5064 55 K 3.8937 8.7677 123.5169 59.7397 32.0328 178.2104 56 Q 4.1808 7.8234 115.8093 58.3962 28.8798 177.2195 57 Y 4.0667 7.9861 118.1792 58.8270 37.9110 176.0740 58 G 4.3324 7.3902 109.0484 45.5260 0.0000 174.1328 59 I 4.1530 7.1259 121.1252 59.2867 37.5430 173.9153 60 G 3.6706 7.0055 112.9686 45.3475 0.0000 172.9375 61 K 4.1390 7.7968 124.9100 55.6348 32.4141 176.1355 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 S 8.33 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 2 A 7.73 4.89 1.37 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 3 V 8.12 4.53 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 0.89 0.00 0.00 0.92 0.00 0.00 4 I 7.16 4.26 0.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.60 0.99 0.00 0.00 5 S 6.14 4.42 0.00 3.79 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 6 L 8.58 5.11 0.00 1.84 1.93 1.09 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.86 4.90 0.00 2.66 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 8 E 7.87 4.70 0.00 1.85 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 2.34 2.21 0.00 9 F 8.25 4.87 0.00 3.12 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 10 E 7.93 5.19 0.00 2.02 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 0.00 2.20 2.27 0.00 11 N 8.24 4.61 0.00 2.77 2.92 0.00 0.00 7.02 7.60 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 12 K 7.81 4.54 0.00 1.90 1.81 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.50 7.81 13 T 8.26 4.39 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 1.28 0.00 0.00 14 L 7.70 3.78 0.00 1.75 1.72 1.07 1.16 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 15 D 7.31 4.59 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.42 4.26 0.00 1.99 2.02 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 2.35 2.27 0.00 17 I 7.25 4.24 1.13 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.47 0.84 0.00 0.00 18 I 7.52 4.54 1.98 0.00 0.00 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 1.39 0.98 1.02 0.00 0.00 19 G 8.84 4.20 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 0.00 20 F 9.87 4.26 0.00 3.24 3.22 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 21 Y 8.52 4.31 0.00 3.37 3.28 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 0.00 22 E 8.72 3.41 0.00 2.21 2.32 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 2.19 1.95 0.00 23 A 7.62 4.00 1.19 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 0.00 0.00 0.00 24 Q 7.57 4.01 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.66 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 25 V 7.87 2.93 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 0.00 0.00 -0.40 0.00 0.00 -0.22 0.00 0.00 26 L 6.61 3.74 0.00 1.44 1.38 0.83 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.46 3.86 0.00 1.67 1.74 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.35 7.81 28 L 6.73 4.00 0.00 1.57 1.31 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.70 3.02 0.00 3.12 3.19 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 0.00 30 Y 8.65 3.72 0.00 3.31 2.96 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 31 A 7.29 4.08 1.37 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 32 E 8.51 4.30 0.00 1.57 1.12 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 2.45 2.45 0.00 33 Y 7.35 4.57 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 34 P 0.00 3.98 0.00 2.11 2.00 0.00 3.95 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 35 S 8.28 3.34 0.00 3.92 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 3.87 4.31 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 1.41 0.00 0.00 37 R 7.51 3.46 0.00 1.64 1.83 0.00 3.23 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 1.55 1.69 0.00 38 K 7.80 4.06 0.00 2.07 1.78 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.43 7.81 39 L 8.20 3.96 0.00 1.82 1.70 1.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.50 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.37 3.86 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 42 R 7.50 4.02 0.00 1.16 1.17 0.00 2.73 0.00 0.00 2.73 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 43 L 6.73 4.48 0.00 1.62 1.62 0.79 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.76 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 0.00 0.00 0.00 45 V 7.95 4.35 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 0.82 0.00 0.00 0.97 0.00 0.00 46 S 8.49 4.54 0.00 3.89 3.87 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 47 H 8.37 3.98 0.00 3.24 3.07 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.18 3.74 4.20 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 1.15 0.00 0.00 49 A 7.83 3.97 1.32 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 0.00 0.00 50 I 7.80 3.61 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 1.08 0.00 0.00 51 A 8.46 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.58 4.18 0.00 2.95 2.89 0.00 0.00 7.35 5.83 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 53 K 7.86 4.01 0.00 1.87 1.76 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.71 7.81 54 L 7.63 3.62 0.00 1.45 1.51 0.76 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.77 3.89 0.00 1.86 1.98 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.60 7.81 56 Q 7.82 4.18 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.94 2.45 0.00 57 Y 7.99 4.07 0.00 2.97 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 58 G 7.39 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.13 4.15 1.60 0.00 0.00 0.69 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 0.73 0.42 0.00 0.00 60 G 7.01 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 4.14 0.00 1.67 1.64 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.48 7.81