NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3649 8.2493 123.5833 52.2122 18.7703 175.4669 2 S 4.7051 8.0863 115.8467 56.4223 62.5675 172.9234 3 R 4.3777 8.9624 124.5071 56.9717 32.0464 178.0825 4 F 4.8237 8.0466 118.1743 55.2906 40.0781 173.6203 5 H 5.6180 8.5571 117.7172 53.8147 32.2706 172.6763 6 E 4.9120 9.0325 118.5421 54.7543 33.2561 173.5384 7 Q 5.9051 8.8875 123.5118 53.7904 31.5134 174.7259 8 F 5.0197 8.1297 114.7839 55.6862 41.0679 173.2802 9 I 4.0231 8.5625 116.6277 60.7996 38.5963 175.5947 10 V 4.4462 8.0136 117.4883 59.2575 34.2472 176.0914 11 R 4.1428 8.5159 123.6846 56.1806 30.7537 177.6219 12 E 4.0719 8.7949 120.3140 59.7114 29.8166 178.1712 13 D 4.5012 8.3482 117.0366 56.5633 41.5348 177.1074 14 L 4.8055 7.1929 116.6796 55.2959 40.7071 177.0907 15 M 4.2133 8.5067 119.9982 57.6392 33.3705 176.1289 16 G 4.6458 7.0670 119.7893 46.3787 0.0000 173.9717 17 L 4.4958 7.2968 120.8820 53.0512 42.5568 174.7120 18 A 4.5618 7.7178 127.4265 49.2673 18.9959 173.9755 19 I 3.8079 8.0109 119.2058 62.4018 37.3209 176.4284 20 G 4.7457 9.1385 126.4188 45.0679 0.0000 172.9243 21 T 3.2137 7.8101 108.2752 62.7736 69.5266 170.1947 22 H 3.8781 8.4177 110.8582 57.6685 26.0272 175.8520 23 G 3.7757 7.7922 107.0741 45.5010 0.0000 173.2776 24 A 4.8310 8.0307 127.4463 49.9246 23.3975 176.5030 25 N 4.4020 8.6021 119.0218 56.1629 38.5081 178.2551 26 I 3.7185 7.6406 120.9509 64.4229 37.3995 178.1705 27 Q 4.0178 7.9876 118.1881 59.0974 28.7804 178.4019 28 Q 3.9280 8.3853 119.2088 59.3238 28.6211 179.3224 29 A 4.2054 7.6435 119.2752 55.2613 18.3758 179.2605 30 R 4.0948 7.5325 116.6381 59.2435 30.2857 178.5291 31 K 4.0767 8.2512 118.0488 57.9902 32.2513 177.8976 32 V 3.5580 7.2786 118.8559 62.4357 31.8501 173.3502 33 P 4.5826 0.0000 0.0000 64.8991 31.1810 174.8151 34 G 3.8406 9.0446 119.9152 45.8011 0.0000 172.5745 35 V 3.8939 6.7708 121.3236 63.5955 31.6217 175.3438 36 T 4.4412 8.6581 121.9773 63.2576 68.3745 173.9387 37 A 4.5482 7.4860 120.6554 51.6461 22.3556 174.7743 38 I 4.9685 8.5356 118.5007 59.3873 41.4427 173.9301 39 D 4.9891 9.1548 127.1365 52.3722 44.9123 173.6669 40 L 4.2683 8.4359 125.5863 52.9829 45.1068 174.9301 41 D 4.7892 8.5726 125.3322 52.9193 43.4830 176.2743 42 E 4.1705 8.7083 122.1988 58.1484 31.2444 177.7756 43 D 4.3639 8.2624 117.0488 57.7998 40.8164 178.1322 44 T 4.0410 7.7577 112.3766 63.7936 69.3450 173.7741 45 C 3.6505 7.6567 119.3835 60.4784 29.8122 171.9532 46 T 4.6923 7.8482 114.6902 61.7986 73.7114 173.9879 47 F 4.7239 8.1959 124.7798 56.6052 42.3298 173.5385 48 H 5.4488 9.2280 122.5115 54.0139 32.0898 172.7299 49 I 4.6396 8.5613 123.0509 59.5727 40.5028 174.0262 50 Y 5.1628 8.7715 124.2230 56.5872 40.4368 175.1603 51 G 4.4613 9.0691 111.7073 44.6413 0.0000 172.0986 52 E 4.9078 8.0095 116.9283 54.8366 30.3353 175.7750 53 D 3.8898 7.9709 115.7173 53.1472 44.4304 174.3190 54 Q 3.9387 8.0502 128.3095 59.7407 28.9651 177.9226 55 D 4.3329 7.9620 118.7979 57.3758 40.8511 178.2551 56 A 3.9764 7.8874 120.2992 55.4461 18.4856 179.7095 57 V 3.5078 8.2395 116.8479 66.1664 31.6048 178.4888 58 K 3.9002 8.6457 118.6342 58.9088 31.7473 179.6861 59 K 3.3249 7.9077 118.8460 59.1964 32.1353 179.2000 60 A 4.1603 7.9765 121.0212 55.1323 18.1786 179.6768 61 R 3.3440 7.5925 117.2215 59.2793 29.8832 178.6388 62 S 3.8749 7.0312 111.6023 60.7487 62.2908 175.8106 63 F 4.6774 7.2336 119.9326 60.2960 39.0032 177.4270 64 L 4.1308 7.8087 117.6914 57.4912 41.4931 177.1392 65 E 4.2545 7.8644 120.2793 56.4571 29.8086 176.1409 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 A 8.25 4.36 1.31 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 0.00 0.00 0.00 2 S 8.09 4.71 0.00 4.03 3.89 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 3 R 8.96 4.38 0.00 1.82 1.79 0.00 3.12 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 4 F 8.05 4.82 0.00 3.13 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 5 H 8.56 5.62 0.00 3.59 3.65 0.00 5.51 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 9.03 4.91 0.00 2.08 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 7 Q 8.89 5.91 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.43 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 8 F 8.13 5.02 0.00 3.10 3.08 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 0.00 0.00 0.00 0.00 9 I 8.56 4.02 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.92 0.00 0.00 10 V 8.01 4.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.05 0.00 0.00 11 R 8.52 4.14 0.00 1.90 1.88 0.00 3.15 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 12 E 8.79 4.07 0.00 1.96 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 2.32 2.30 0.00 13 D 8.35 4.50 0.00 2.63 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 14 L 7.19 4.81 0.00 1.86 1.72 0.97 0.91 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 15 M 8.51 4.21 0.00 2.04 2.39 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 16 G 7.07 4.65 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 0.00 0.00 0.00 17 L 7.30 4.50 0.00 1.59 1.60 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.72 4.56 1.24 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 0.00 0.00 0.00 19 I 8.01 3.81 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 1.36 0.85 0.92 0.00 0.00 20 G 9.14 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.81 3.21 4.13 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 1.17 0.00 0.00 22 H 8.42 3.88 0.00 3.36 3.42 0.00 5.83 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 23 G 7.79 3.78 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 0.00 0.00 0.00 24 A 8.03 4.83 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 25 N 8.60 4.40 0.00 2.77 2.91 0.00 0.00 7.00 6.97 0.00 0.00 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 I 7.64 3.72 1.92 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 1.81 0.72 1.02 0.00 0.00 27 Q 7.99 4.02 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 28 Q 8.39 3.93 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 29 A 7.64 4.21 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.53 4.09 0.00 1.91 2.16 0.00 3.31 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 31 K 8.25 4.08 0.00 1.89 1.85 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.58 7.81 32 V 7.28 3.56 2.30 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 1.15 0.00 0.00 1.16 0.00 0.00 33 P 0.00 4.58 0.00 2.23 2.09 0.00 3.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 34 G 9.04 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.77 3.89 2.13 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 1.02 0.00 0.00 1.02 0.00 0.00 36 T 8.66 4.44 4.32 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 1.39 0.00 0.00 37 A 7.49 4.55 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 38 I 8.54 4.97 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.32 1.00 0.00 0.00 39 D 9.15 4.99 0.00 2.84 2.41 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 40 L 8.44 4.27 0.00 1.20 1.17 0.67 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.57 4.79 0.00 2.60 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.71 4.17 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 2.19 2.19 0.00 43 D 8.26 4.36 0.00 2.61 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 4.04 4.22 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 1.21 0.00 0.00 45 C 7.66 3.65 0.00 3.08 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.85 4.69 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 1.06 0.00 0.00 47 F 8.20 4.72 0.00 2.41 1.83 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 0.00 0.00 0.00 0.00 48 H 9.23 5.45 0.00 2.90 2.83 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.56 4.64 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.32 0.94 0.00 0.00 50 Y 8.77 5.16 0.00 3.13 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.07 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 4.91 0.00 2.23 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 2.34 2.24 0.00 53 D 7.97 3.89 0.00 2.67 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.05 3.94 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 55 D 7.96 4.33 0.00 2.73 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 56 A 7.89 3.98 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 57 V 8.24 3.51 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.06 0.00 0.00 58 K 8.65 3.90 0.00 1.88 1.71 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.55 7.81 59 K 7.91 3.32 0.00 2.00 1.82 0.00 1.42 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.23 7.81 60 A 7.98 4.16 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 61 R 7.59 3.34 0.00 1.63 1.69 0.00 2.90 0.00 0.00 2.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 62 S 7.03 3.87 0.00 3.66 3.24 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 0.00 63 F 7.23 4.68 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 64 L 7.81 4.13 0.00 1.60 1.78 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.86 4.25 0.00 2.08 1.85 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 2.17 2.28 0.00