NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3167 8.1227 123.5821 52.4026 20.9486 178.8927 5 N 4.1669 8.0335 113.5614 56.3279 39.0340 175.4728 6 K 4.0605 8.7873 120.6852 59.1204 32.5891 178.9655 7 R 3.8926 7.9103 118.0985 59.4016 30.0531 178.6495 8 N 4.3096 7.8112 115.7459 56.2280 38.5917 176.9977 9 E 3.8577 8.1635 120.4993 59.2424 29.6063 178.4728 10 A 4.0774 8.4259 120.9563 55.5285 18.4172 179.6963 11 L 3.9053 7.8645 117.2116 57.7858 41.6310 179.7381 12 R 3.8751 8.5943 119.1053 59.4438 29.9749 178.7107 13 I 3.6652 8.2650 119.9459 64.2324 37.0568 177.8211 14 E 3.9262 8.3166 121.8465 58.6794 29.4307 178.8296 15 S 3.9967 8.1807 112.7021 61.3569 62.4748 175.9188 16 A 4.8511 7.8545 124.7094 54.6721 18.0250 179.5998 17 L 3.9307 8.2696 117.7689 58.0794 41.7834 179.7190 18 L 3.8668 8.4852 119.1814 57.7923 41.4136 179.4706 19 N 4.3105 8.6482 116.7407 56.0965 38.5304 177.3471 20 K 3.9231 8.1190 120.8990 59.6906 32.3619 178.6552 21 I 3.7495 8.0618 120.1709 64.6011 36.7847 178.2886 22 A 4.0822 7.8490 120.3916 55.4238 18.3128 179.4207 23 M 4.1565 8.2780 116.4836 57.8582 32.0146 178.1262 24 L 4.4547 7.5920 118.1417 54.0570 42.8024 177.3770 25 G 4.1549 8.1948 108.7211 45.4205 0.0000 174.8240 26 T 4.0540 8.9072 121.3587 66.6870 68.5200 176.6524 27 E 3.9736 8.1476 119.9359 59.3868 29.6023 179.2710 28 K 3.9591 8.0236 117.8147 59.8214 32.1425 179.2522 29 T 3.9102 8.3175 115.9666 66.6991 68.3848 176.2412 30 A 3.3480 8.1426 122.5250 55.0391 18.4259 179.2368 31 E 3.7475 8.2361 117.3237 59.5162 29.5375 178.9952 32 A 4.0166 8.1260 119.6625 54.6184 18.5147 178.8660 33 V 3.9294 7.7945 114.6805 62.3628 32.0308 175.7917 34 G 3.6847 7.7457 105.4992 47.3714 0.0000 173.8231 35 V 4.1307 7.3526 119.2558 58.7487 32.9256 175.0963 36 D 4.3538 8.5219 124.4632 53.7730 41.9762 176.6475 37 K 3.8792 8.9414 125.9889 60.0254 31.8572 179.1104 38 S 4.2774 8.1942 112.3335 60.4200 63.2288 175.3588 39 Q 4.3867 9.0131 121.6988 56.0094 29.2559 177.1471 40 I 3.9434 7.3496 121.7429 64.7671 37.1025 177.9732 41 S 4.0196 7.9361 112.9642 61.4817 62.4097 175.9453 42 R 3.5362 7.7290 120.8725 58.7537 29.6011 177.9272 43 W 3.7064 8.0511 128.4416 60.4807 30.5194 178.1804 44 K 3.6811 7.8976 117.0633 58.9076 31.6386 179.1779 45 R 4.0904 8.0177 115.4301 57.6082 29.5894 176.5253 46 D 4.7283 7.7518 116.2792 55.5804 42.8219 177.9382 47 W 4.4870 7.4673 118.5260 59.8967 29.3122 178.2070 48 I 3.7978 7.8625 119.8679 64.3104 36.7164 176.4145 49 P 4.2829 0.0000 0.0000 65.6354 31.1080 178.7843 50 K 4.0050 7.8146 116.6130 59.6075 31.9972 179.1661 51 F 4.3745 8.6559 121.1644 61.5517 38.7686 177.2932 52 S 3.7943 8.5503 115.2034 61.5229 62.5618 176.3739 53 M 3.9966 7.8046 120.5798 58.3545 31.9910 177.9398 54 L 3.9325 7.8106 120.5364 58.3283 42.2054 179.0758 55 L 3.9835 7.9145 118.8277 57.4449 41.3928 179.4205 56 A 3.9971 7.8060 121.0350 54.9395 18.1808 179.8557 57 V 3.5659 8.0602 116.2354 66.0342 31.7840 177.6737 58 L 4.2703 8.2796 115.8591 54.5400 41.6526 176.6166 59 E 3.8475 8.0019 117.4543 56.7244 27.6807 174.6237 60 W 4.0529 8.4206 128.3879 57.1195 31.3338 175.5749 61 G 3.7337 7.9086 114.8888 45.0917 0.0000 173.1532 62 V 4.5381 8.2392 123.7390 61.2344 34.5809 174.6199 63 V 4.5592 8.2737 119.1038 59.4162 35.3294 175.1395 64 D 4.8907 8.3353 120.3264 54.3190 42.4200 178.4067 65 D 4.4257 8.2870 120.1436 57.3941 40.7655 177.9055 66 D 4.3714 8.1127 118.5488 57.8107 40.8273 178.5414 67 M 4.0039 8.0550 117.7548 58.2882 32.2466 178.0117 68 A 3.9339 7.7966 120.6391 55.1086 18.6241 179.4124 69 R 3.8221 8.2811 117.6590 59.6314 30.0633 178.4211 70 L 3.9321 8.2551 120.0357 57.9879 42.0092 178.6953 71 A 3.9785 8.2416 120.9047 55.5232 18.3530 179.4234 72 R 3.8536 8.1681 116.4887 59.4198 30.0575 178.9371 73 Q 3.9832 8.4074 117.4811 59.5395 28.9315 180.1873 74 V 3.5964 8.1595 118.8218 65.8698 31.3962 177.9988 75 A 4.0473 8.1850 119.6688 54.7579 18.4036 179.3384 76 A 4.0550 7.9886 119.7129 55.3670 18.5082 179.6465 77 I 3.7181 7.3932 115.2546 63.6207 38.0531 177.4837 78 L 4.2353 7.6176 118.6015 57.1885 41.6298 178.6655 79 T 4.1716 7.6525 109.1981 64.3007 69.3418 174.5235 80 N 4.5129 8.0157 122.1156 53.1070 38.6824 174.7341 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 4 A 8.12 4.32 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 5 N 8.03 4.17 0.00 2.93 2.81 0.00 0.00 7.09 5.28 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 6 K 8.79 4.06 0.00 1.80 1.84 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.47 7.81 7 R 7.91 3.89 0.00 1.99 1.97 0.00 3.29 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 8 N 7.81 4.31 0.00 2.76 2.85 0.00 0.00 6.73 7.33 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 9 E 8.16 3.86 0.00 2.20 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 0.00 2.31 2.38 0.00 10 A 8.43 4.08 1.40 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 0.00 0.00 11 L 7.86 3.91 0.00 1.95 1.71 0.93 0.72 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 12 R 8.59 3.88 0.00 1.92 2.05 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 13 I 8.27 3.67 1.95 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 1.40 0.61 0.78 0.00 0.00 14 E 8.32 3.93 0.00 2.06 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 2.25 2.13 0.00 15 S 8.18 4.00 0.00 3.91 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 16 A 7.85 4.85 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 17 L 8.27 3.93 0.00 1.78 1.71 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.49 3.87 0.00 1.88 1.66 0.71 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.65 4.31 0.00 2.89 2.86 0.00 0.00 6.63 7.71 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 20 K 8.12 3.92 0.00 2.01 1.83 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.67 7.81 21 I 8.06 3.75 1.95 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.48 0.95 0.00 0.00 22 A 7.85 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 23 M 8.28 4.16 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.59 0.00 24 L 7.59 4.45 0.00 1.91 1.77 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.19 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 0.00 0.00 0.00 0.00 26 T 8.91 4.05 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 1.41 0.00 0.00 27 E 8.15 3.97 0.00 2.00 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 2.43 2.36 0.00 28 K 8.02 3.96 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.56 7.81 29 T 8.32 3.91 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 30 A 8.14 3.35 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.24 3.75 0.00 2.02 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 0.00 2.28 2.30 0.00 32 A 8.13 4.02 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 33 V 7.79 3.93 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 0.82 0.00 0.00 1.06 0.00 0.00 34 G 7.75 3.68 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 0.00 0.00 0.00 35 V 7.35 4.13 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.46 0.00 0.00 36 D 8.52 4.35 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.94 3.88 0.00 1.81 1.88 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.52 7.81 38 S 8.19 4.28 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 9.01 4.39 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 40 I 7.35 3.94 2.03 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 1.42 0.71 1.14 0.00 0.00 41 S 7.94 4.02 0.00 3.86 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 42 R 7.73 3.54 0.00 1.62 1.00 0.00 3.21 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.50 0.00 43 W 8.05 3.71 0.00 3.26 3.31 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 44 K 7.90 3.68 0.00 1.66 1.67 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.94 1.45 7.81 45 R 8.02 4.09 0.00 1.87 1.97 0.00 2.95 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 46 D 7.75 4.73 0.00 2.59 2.37 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 47 W 7.47 4.49 0.00 3.78 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 48 I 7.86 3.80 1.74 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.29 0.84 0.00 0.00 49 P 0.00 4.28 0.00 2.29 2.11 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 50 K 7.81 4.01 0.00 2.06 1.95 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.93 1.75 7.81 51 F 8.66 4.37 0.00 3.06 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 52 S 8.55 3.79 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.80 4.00 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 54 L 7.81 3.93 0.00 1.80 1.79 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.91 3.98 0.00 1.54 1.49 -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.81 4.00 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 8.06 3.57 2.21 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 0.88 0.00 0.00 0.93 0.00 0.00 58 L 8.28 4.27 0.00 1.87 1.91 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.00 3.85 0.00 2.16 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 0.00 2.27 2.41 0.00 60 W 8.42 4.05 0.00 3.40 3.01 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 61 G 7.91 3.73 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 0.00 0.00 0.00 62 V 8.24 4.54 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 0.93 0.00 0.00 1.12 0.00 0.00 63 V 8.27 4.56 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 0.77 0.00 0.00 0.98 0.00 0.00 64 D 8.34 4.89 0.00 2.70 2.60 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 65 D 8.29 4.43 0.00 2.73 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 66 D 8.11 4.37 0.00 2.70 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 67 M 8.05 4.00 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 68 A 7.80 3.93 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 69 R 8.28 3.82 0.00 1.86 2.12 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 70 L 8.26 3.93 0.00 1.79 1.80 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.24 3.98 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 72 R 8.17 3.85 0.00 2.03 1.96 0.00 3.17 0.00 0.00 3.17 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 73 Q 8.41 3.98 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 74 V 8.16 3.60 2.26 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 1.01 0.00 0.00 0.97 0.00 0.00 75 A 8.19 4.05 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 76 A 7.99 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.39 3.72 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 1.52 0.86 1.03 0.00 0.00 78 L 7.62 4.24 0.00 1.92 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.65 4.17 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 1.27 0.00 0.00 80 N 8.02 4.51 0.00 2.74 2.77 0.00 0.00 6.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00