NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1459 8.1233 122.4446 51.9872 20.2558 175.6124 2 Y 4.9461 8.3263 120.0527 55.6978 40.7393 169.8686 3 V 4.7092 8.9467 121.3627 60.8023 35.9277 174.6263 4 I 4.1961 8.3873 120.0118 61.6260 38.4820 174.4507 5 T 3.4854 7.9290 111.1083 60.7122 71.4180 176.3687 6 E 2.9701 5.9000 120.1893 58.0059 31.5147 177.0364 7 P 4.1165 0.0000 0.0000 65.0736 31.6781 177.4978 8 C 3.9807 7.8100 118.5022 62.0302 31.4270 173.8355 9 I 3.8518 7.5349 120.5821 61.2868 34.6793 175.9153 10 G 4.0148 7.8250 117.1114 46.2057 0.0000 171.0044 11 T 3.4932 8.6389 108.9361 63.5718 65.9175 171.1997 12 K 3.8423 8.7881 124.4599 57.0680 29.9014 176.4350 13 C 4.2998 7.3393 114.3829 59.9248 32.3966 172.9583 14 A 4.0670 7.7992 126.2826 51.1201 18.5290 178.0299 15 S 4.2476 8.0941 119.0348 62.4194 63.5384 176.7633 16 C 4.1441 7.7150 113.4126 59.7492 29.7623 174.3277 17 V 3.5734 6.3796 120.7326 62.6129 31.6013 175.1819 18 E 4.2730 9.5756 126.4563 56.8353 30.0701 176.3511 19 V 3.7042 7.4730 116.3009 64.1293 32.0640 176.1985 20 C 4.1839 7.9818 121.7399 58.4920 31.8756 171.9983 21 P 4.1835 0.0000 0.0000 65.4967 31.0409 177.2534 22 V 4.2357 7.4680 107.8545 60.7738 33.0575 175.4362 23 D 4.2532 7.9001 118.0428 55.1876 39.8913 173.2876 24 C 4.6577 7.4425 110.4560 58.6656 30.6790 174.2031 25 I 4.8230 7.4800 112.0739 60.5731 39.6997 174.8380 26 H 4.8160 8.9858 122.2804 53.8191 33.0914 172.5244 27 E 4.4933 7.8792 121.3477 55.1719 30.1809 176.7581 28 G 3.7928 8.9516 113.5542 46.9263 0.0000 172.5912 29 E 4.7516 7.7936 125.2363 56.4933 35.1690 176.8551 30 D 4.5081 7.9163 118.5335 56.1194 39.9045 175.1848 31 Q 4.6600 7.5024 115.9307 55.5667 32.2014 172.4965 32 Y 4.3766 8.3902 117.0555 56.9488 38.9973 175.2124 33 Y 4.4452 8.9638 123.7585 56.6532 39.5928 175.1596 34 I 4.4156 7.9597 126.0514 60.8004 38.3583 175.4220 35 D 4.8043 8.9504 127.9750 53.1920 41.1611 175.1438 36 P 4.2906 0.0000 0.0000 66.1190 31.3165 177.6768 37 D 4.5025 8.9893 117.8859 56.3118 40.8750 178.0630 38 V 3.9859 7.7755 117.3751 63.5232 32.1400 175.8322 39 C 4.0077 7.8559 119.8316 59.8250 31.5443 172.7372 40 I 4.0007 8.3344 120.1867 60.0908 37.3526 174.4271 41 D 3.5690 7.9175 119.8932 55.2583 38.5681 171.9707 42 C 4.7639 7.6498 117.5013 56.4359 33.0312 174.7555 43 G 3.9684 8.5875 110.5243 45.7128 0.0000 172.6025 44 A 4.5244 7.0696 120.5710 52.6133 22.7626 178.6747 45 C 3.9089 8.2600 108.6620 61.0782 29.6536 176.0444 46 E 3.8268 8.2965 121.2350 58.8603 29.0155 178.5369 47 A 4.0050 7.9151 118.8148 55.0635 18.5159 179.2975 48 V 3.8401 7.7466 116.4495 64.8412 31.8453 175.8478 49 C 4.0863 8.2643 120.8658 58.9035 31.2089 171.6780 50 P 4.8619 0.0000 0.0000 63.2301 30.6304 177.2635 51 V 4.1117 7.6755 113.7361 60.9130 33.8404 174.4422 52 S 3.9778 8.4061 114.1651 57.8143 59.3125 170.2791 53 A 3.5149 7.6763 120.3329 50.6050 22.0298 176.5867 54 I 4.0090 8.4349 116.7897 60.8160 36.4180 175.0801 55 Y 4.9392 8.2068 124.3881 55.6847 41.5160 174.9377 56 H 4.7662 8.2771 119.4757 55.6271 30.4761 175.8221 57 E 4.0895 8.7875 125.1735 59.9112 29.0617 179.5703 58 D 4.4454 8.1833 117.3900 56.3733 39.6995 178.1913 59 F 4.6086 8.4302 118.9853 59.1089 39.1592 176.4746 60 V 3.9707 7.1627 117.9322 62.5837 31.8340 173.9427 61 P 4.4178 0.0000 0.0000 62.8572 32.3106 176.7572 62 E 3.9876 9.1314 121.7626 60.0532 29.1444 179.5575 63 E 3.9861 8.1779 116.2993 59.2477 29.7835 178.7735 64 W 5.1715 8.4449 116.6124 57.1733 29.7299 178.3655 65 K 4.1127 8.1617 119.1759 59.2080 31.3182 178.8091 66 S 4.1546 8.4137 115.4886 62.2261 62.7168 176.2529 67 Y 4.1911 8.3538 119.2090 60.9936 37.5083 178.7186 68 I 3.8419 7.8660 120.4510 64.3870 37.3196 177.8747 69 Q 3.9799 8.2716 120.4232 59.1369 28.7764 178.3864 70 K 3.7634 8.2297 120.6184 59.6642 32.0377 178.4616 71 N 4.6417 8.7616 115.7714 56.4858 38.8238 176.9000 72 R 4.2219 8.5627 120.5199 59.5596 30.1269 177.7240 73 D 4.3705 8.6617 117.7854 57.7538 41.0280 178.4995 74 F 3.6369 7.4685 116.8968 60.0413 38.8682 177.1971 75 F 4.8174 6.8301 111.3603 57.2946 39.8400 177.3563 76 K 4.2883 8.0664 119.0970 58.7173 32.1825 176.8364 77 K 4.0613 7.6794 121.6218 57.4482 31.9349 174.8422 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 8.12 4.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.33 4.95 0.00 2.94 2.79 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 0.00 0.00 0.00 3 V 8.95 4.71 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.02 0.00 0.00 4 I 8.39 4.20 1.58 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.85 0.00 0.00 5 T 7.93 3.49 3.27 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 1.24 0.00 0.00 6 E 5.90 2.97 0.00 1.16 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 2.43 2.34 0.00 7 P 0.00 4.12 0.00 1.91 2.04 0.00 3.25 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 8 C 7.81 3.98 0.00 2.64 2.84 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 9 I 7.53 3.85 1.90 0.00 0.00 0.61 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 0.42 0.91 0.00 0.00 10 G 7.82 4.01 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 0.00 0.00 0.00 11 T 8.64 3.49 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 12 K 8.79 3.84 0.00 1.97 1.98 0.00 1.92 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.38 7.81 13 C 7.34 4.30 0.00 2.92 2.79 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 0.00 0.00 0.00 14 A 7.80 4.07 0.97 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 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.09 4.25 0.00 3.80 3.82 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 0.00 0.00 0.00 16 C 7.71 4.14 0.00 3.01 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 17 V 6.38 3.57 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 0.54 0.00 0.00 0.95 0.00 0.00 18 E 9.58 4.27 0.00 2.02 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 0.00 2.16 2.20 0.00 19 V 7.47 3.70 2.04 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 0.74 0.00 0.00 0.91 0.00 0.00 20 C 7.98 4.18 0.00 2.94 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 21 P 0.00 4.18 0.00 2.04 2.12 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 22 V 7.47 4.24 2.05 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 0.77 0.00 0.00 0.93 0.00 0.00 23 D 7.90 4.25 0.00 2.65 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 24 C 7.44 4.66 0.00 2.93 3.04 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 25 I 7.48 4.82 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 0.90 0.00 0.00 26 H 8.99 4.82 0.00 3.16 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.88 4.49 0.00 1.74 1.73 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 1.55 1.47 0.00 28 G 8.95 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.79 4.75 0.00 1.95 1.96 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 2.11 2.15 0.00 30 D 7.92 4.51 0.00 2.90 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 31 Q 7.50 4.66 0.00 1.83 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 32 Y 8.39 4.38 0.00 2.75 2.90 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 33 Y 8.96 4.45 0.00 2.99 2.99 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 34 I 7.96 4.42 1.94 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 1.12 0.48 0.97 0.00 0.00 35 D 8.95 4.80 0.00 2.21 2.46 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 36 P 0.00 4.29 0.00 2.44 2.23 0.00 4.02 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 37 D 8.99 4.50 0.00 2.79 2.80 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 0.00 0.00 0.00 38 V 7.78 3.99 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 0.76 0.00 0.00 0.96 0.00 0.00 39 C 7.86 4.01 0.00 2.97 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 40 I 8.33 4.00 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.68 0.90 0.00 0.00 41 D 7.92 3.57 0.00 2.58 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.65 4.76 0.00 3.04 2.77 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 43 G 8.59 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.07 4.52 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 45 C 8.26 3.91 0.00 3.14 3.23 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 46 E 8.30 3.83 0.00 2.10 1.96 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 2.27 2.42 0.00 47 A 7.92 4.01 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 48 V 7.75 3.84 2.16 0.00 0.00 0.00 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 0.94 0.00 0.00 49 C 8.26 4.09 0.00 2.99 2.88 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 50 P 0.00 4.86 0.00 2.19 2.09 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 51 V 7.68 4.11 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 0.71 0.00 0.00 0.81 0.00 0.00 52 S 8.41 3.98 0.00 4.02 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.68 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.43 4.01 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.42 0.97 0.00 0.00 55 Y 8.21 4.94 0.00 2.99 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 56 H 8.28 4.77 0.00 2.37 2.59 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.79 4.09 0.00 2.11 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 2.44 2.23 0.00 58 D 8.18 4.45 0.00 3.00 2.97 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 0.00 0.00 0.00 0.00 59 F 8.43 4.61 0.00 3.21 3.13 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 60 V 7.16 3.97 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.27 0.00 0.00 61 P 0.00 4.42 0.00 2.05 1.87 0.00 4.10 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 62 E 9.13 3.99 0.00 2.05 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 0.00 2.44 2.55 0.00 63 E 8.18 3.99 0.00 1.61 1.96 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 2.20 2.43 0.00 64 W 8.44 5.17 0.00 3.67 3.27 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 0.00 65 K 8.16 4.11 0.00 2.17 1.97 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.61 1.83 7.81 66 S 8.41 4.15 0.00 3.74 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 67 Y 8.35 4.19 0.00 3.26 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 68 I 7.87 3.84 2.18 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.63 1.00 0.00 0.00 69 Q 8.27 3.98 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 70 K 8.23 3.76 0.00 1.91 2.07 0.00 1.29 0.00 0.00 1.08 0.00 0.00 2.66 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.46 1.38 7.81 71 N 8.76 4.64 0.00 3.13 3.26 0.00 0.00 7.71 7.98 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 72 R 8.56 4.22 0.00 2.04 2.16 0.00 3.16 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 73 D 8.66 4.37 0.00 2.72 2.77 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 74 F 7.47 3.64 0.00 2.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 6.83 4.82 0.00 3.23 3.05 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 76 K 8.07 4.29 0.00 1.86 1.87 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.29 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.52 7.81 77 K 7.68 4.06 0.00 1.76 1.69 0.00 1.44 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 1.40 7.81