NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4175 8.3344 116.7949 58.4064 63.2115 172.5546 3 I 4.3414 7.8444 124.6511 56.9902 40.0250 174.8569 4 S 4.1947 8.9953 122.3655 60.7831 64.0534 174.0938 5 A 3.9917 7.1885 121.9852 52.5850 18.0276 177.5085 6 R 4.1119 8.6065 121.6004 57.4106 30.9325 176.0450 7 N 4.8510 7.8333 116.2754 51.7164 40.3278 174.3699 8 Q 4.7791 8.6472 122.8822 54.2722 32.1335 174.5236 9 L 4.7267 9.0076 125.4740 52.5339 44.1857 176.5535 10 K 4.5409 8.7880 124.0613 56.5929 33.2393 176.4764 11 G 4.3118 9.2737 110.5546 45.3364 0.0000 171.2172 12 K 5.1850 8.6894 118.2088 54.5690 35.8988 176.0246 13 V 4.2111 9.0687 123.8210 63.3842 32.1921 176.3873 14 V 4.4526 8.5702 119.5455 59.9207 33.4466 175.8007 15 G 4.2789 7.8009 107.1862 45.0759 0.0000 172.2112 16 L 5.1170 8.2713 124.8962 53.5057 45.5675 174.5120 17 K 4.5485 9.3869 127.5210 54.6991 35.2317 174.6375 18 K 4.6429 8.8753 127.1563 54.9621 33.3318 176.9271 19 G 4.2153 8.7643 115.7301 45.3856 0.0000 173.9845 20 V 3.9247 8.4896 118.7809 64.5575 32.7105 177.6956 21 V 3.9823 7.8148 118.4378 64.2417 32.3385 174.7683 22 T 5.1033 7.5159 107.7171 59.9435 72.4524 172.2434 23 A 5.0298 8.8910 121.4372 50.6098 23.2350 174.6544 24 E 5.0127 9.3975 121.6807 54.5334 31.9718 174.8843 25 V 4.8233 9.0947 126.8456 61.0272 34.8762 174.0153 26 V 4.8622 8.8469 127.8241 61.1175 33.9013 174.0671 27 L 5.2107 9.0429 127.8663 52.9233 45.1007 174.8275 28 E 4.9602 9.1594 124.7316 54.8925 31.6913 175.2391 29 I 4.9135 8.4664 120.8311 58.5409 40.9357 174.6354 30 A 4.0620 8.4809 123.9019 54.1761 18.4291 178.4699 31 G 3.8282 9.0141 108.1218 45.6270 0.0000 174.8974 32 G 3.9237 7.7460 105.8027 45.2348 0.0000 174.1763 33 N 4.6764 7.6642 117.0538 53.1139 39.8909 174.1879 34 K 5.0959 8.4998 119.5518 54.7325 35.7944 175.5894 35 I 4.5854 8.8621 124.6374 59.7916 40.2192 174.5496 36 T 5.0869 8.5607 122.6485 61.7816 71.0893 173.5216 37 S 4.7440 9.3190 120.3712 56.4585 65.9606 172.4602 38 I 5.0643 8.4611 127.0815 59.6161 39.0563 174.6637 39 I 4.8771 8.4692 120.0322 58.4101 42.0422 174.9443 40 S 4.5777 8.5386 116.4301 58.1943 63.4788 175.2491 41 L 3.9814 9.1618 124.8921 58.3106 41.6630 179.0748 42 D 4.3741 8.1438 118.5457 57.6742 40.7195 178.9783 43 S 4.1001 8.0504 115.3840 61.3911 62.8191 176.6978 44 V 3.5846 7.6468 120.5843 66.1817 31.2615 178.0022 45 E 3.9649 8.3402 118.1454 59.5438 29.1147 179.2230 46 E 4.0052 8.2321 117.6158 59.1420 29.6470 178.6127 47 L 4.3691 8.2723 116.4413 53.8594 42.1816 176.8050 48 G 3.9128 7.9199 106.9898 46.0129 0.0000 174.5982 49 V 3.6493 7.7259 119.5206 62.6439 32.2189 175.0310 50 K 4.5390 8.3237 124.0041 55.3612 35.2490 174.5709 51 E 4.2318 8.6305 119.0946 58.5127 29.7033 178.8027 52 G 4.0262 9.1502 111.4120 45.2133 0.0000 173.8320 53 A 4.1367 7.8072 122.3091 52.1730 19.6850 176.4389 54 E 4.8538 8.6701 121.1664 55.3997 30.7059 175.5795 55 L 4.9086 8.9299 123.6563 53.5412 47.1684 175.1545 56 T 5.0896 8.3838 115.7388 61.8166 71.2377 173.9112 57 A 4.4251 9.2040 128.7000 51.1931 20.2764 176.1983 58 V 4.9102 8.3751 122.1147 61.0287 33.7770 174.9045 59 V 4.5145 8.5700 126.8693 60.8021 35.0789 174.9283 60 K 4.2219 8.6804 126.9663 56.2222 33.0252 177.9879 61 S 4.1166 8.9340 119.3651 62.1433 62.8357 176.5543 62 T 4.1026 7.8583 107.2013 63.2465 68.5996 174.2623 63 D 4.6437 7.9945 121.4517 54.2384 41.4455 176.1162 64 V 4.1074 7.5144 120.4821 61.6690 32.3348 175.3190 65 M 4.5351 8.3836 126.4895 54.0482 33.7752 175.1530 66 I 4.4770 8.0544 120.5952 59.3621 39.7240 174.9934 67 L 4.6370 8.5285 126.1344 53.0359 44.0841 175.8189 68 A 4.3321 8.5283 127.4120 52.3374 19.2014 175.5696 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 2 S 8.33 4.42 0.00 3.88 3.88 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 3 I 7.84 4.34 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 1.47 1.57 0.91 0.00 0.00 4 S 9.00 4.19 0.00 4.01 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 5 A 7.19 3.99 1.28 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 0.00 0.00 6 R 8.61 4.11 0.00 1.81 1.99 0.00 3.18 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 7 N 7.83 4.85 0.00 2.85 2.74 0.00 0.00 6.64 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 8 Q 8.65 4.78 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 9 L 9.01 4.73 0.00 1.52 1.55 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.79 4.54 0.00 1.64 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.39 7.81 11 G 9.27 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 0.00 0.00 0.00 0.00 12 K 8.69 5.19 0.00 1.80 1.87 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.34 7.81 13 V 9.07 4.21 2.22 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 1.04 0.00 0.00 0.93 0.00 0.00 14 V 8.57 4.45 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 0.85 0.00 0.00 1.00 0.00 0.00 15 G 7.80 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 0.00 0.00 0.00 0.00 16 L 8.27 5.12 0.00 1.60 1.50 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.39 4.55 0.00 1.79 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.38 7.81 18 K 8.88 4.64 0.00 1.67 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 19 G 8.76 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 0.00 0.00 0.00 0.00 20 V 8.49 3.92 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 0.81 0.00 0.00 0.93 0.00 0.00 21 V 7.81 3.98 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 0.98 0.00 0.00 0.93 0.00 0.00 22 T 7.52 5.10 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 1.21 0.00 0.00 23 A 8.89 5.03 1.21 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 24 E 9.40 5.01 0.00 1.99 1.81 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 2.22 2.23 0.00 25 V 9.09 4.82 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 0.84 0.00 0.00 0.93 0.00 0.00 26 V 8.85 4.86 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 0.74 0.00 0.00 0.93 0.00 0.00 27 L 9.04 5.21 0.00 1.57 1.51 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.16 4.96 0.00 2.02 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 2.23 2.24 0.00 29 I 8.47 4.91 1.93 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 1.32 0.76 0.95 0.00 0.00 30 A 8.48 4.06 1.28 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 0.00 0.00 31 G 9.01 3.83 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 0.00 0.00 0.00 32 G 7.75 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 33 N 7.66 4.68 0.00 2.70 2.75 0.00 0.00 6.73 7.34 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 34 K 8.50 5.10 0.00 1.58 1.66 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.42 7.81 35 I 8.86 4.59 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 1.23 1.01 0.91 0.00 0.00 36 T 8.56 5.09 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 1.25 0.00 0.00 37 S 9.32 4.74 0.00 3.80 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 5.06 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 1.40 0.78 0.91 0.00 0.00 39 I 8.47 4.88 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 1.28 0.80 0.91 0.00 0.00 40 S 8.54 4.58 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.16 3.98 0.00 1.74 1.70 0.97 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.14 4.37 0.00 2.72 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 43 S 8.05 4.10 0.00 4.03 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 44 V 7.65 3.58 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 1.03 0.00 0.00 0.93 0.00 0.00 45 E 8.34 3.96 0.00 2.17 1.98 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 2.56 2.49 0.00 46 E 8.23 4.01 0.00 2.11 2.01 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 2.35 2.44 0.00 47 L 8.27 4.37 0.00 1.58 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.92 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 49 V 7.73 3.65 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 0.81 0.00 0.00 0.97 0.00 0.00 50 K 8.32 4.54 0.00 1.93 1.84 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.45 7.81 51 E 8.63 4.23 0.00 2.01 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 2.41 2.28 0.00 52 G 9.15 4.03 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 0.00 0.00 0.00 53 A 7.81 4.14 1.33 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 54 E 8.67 4.85 0.00 1.86 1.91 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 2.26 2.33 0.00 55 L 8.93 4.91 0.00 1.53 1.50 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.38 5.09 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 1.26 0.00 0.00 57 A 9.20 4.43 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 58 V 8.38 4.91 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 0.82 0.00 0.00 0.98 0.00 0.00 59 V 8.57 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 0.92 0.00 0.00 0.93 0.00 0.00 60 K 8.68 4.22 0.00 1.86 1.71 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.46 7.81 61 S 8.93 4.12 0.00 3.88 3.93 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 62 T 7.86 4.10 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 1.21 0.00 0.00 63 D 7.99 4.64 0.00 2.84 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 64 V 7.51 4.11 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 0.77 0.00 0.00 0.99 0.00 0.00 65 M 8.38 4.54 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 66 I 8.05 4.48 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 0.87 0.91 0.00 0.00 67 L 8.53 4.64 0.00 1.54 1.52 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.53 4.33 1.20 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