NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5349 8.1749 111.0786 61.6038 70.5727 172.6802 3 I 4.4011 8.8054 124.0925 58.7242 40.5010 172.6003 4 Q 5.0912 9.5879 129.3081 54.3271 31.3459 174.1147 5 L 4.8994 9.0331 126.1098 53.2381 45.7604 175.4056 6 T 4.7555 8.3633 118.7105 62.5293 70.6550 174.0781 7 V 4.9316 8.7001 126.7018 59.1366 31.5034 174.0780 8 P 4.4205 0.0000 0.0000 64.3570 31.7350 177.7150 9 T 4.1854 7.8021 106.8267 62.6341 69.3866 175.1112 10 I 3.6707 7.4749 123.7938 61.8672 37.4923 175.3799 11 A 4.5801 8.6361 126.4727 52.7914 21.4485 175.5342 12 C 4.8074 7.6418 111.3087 56.6903 34.0267 175.2681 13 E 4.0233 8.7658 118.9691 61.0448 29.0742 177.1435 14 A 4.2066 7.9504 119.9679 55.3972 18.4285 179.1980 15 C 4.0324 8.1269 114.5851 62.9860 28.2374 175.9179 16 A 3.9398 7.7984 121.7829 55.2848 17.9371 179.3028 17 E 3.8412 8.3572 117.4699 59.3208 29.7177 178.8396 18 A 3.9999 8.1821 120.9275 55.1880 18.4776 179.8431 19 V 3.5485 8.0303 116.9018 66.3356 31.5207 178.4042 20 T 3.8656 8.0583 115.5451 66.6867 68.2442 176.8050 21 K 3.9432 8.5248 120.5651 59.2971 31.7994 179.2926 22 A 3.9671 7.9172 120.2368 55.0908 18.6104 179.5980 23 V 3.6787 7.8378 116.6836 66.3845 31.3585 178.3522 24 Q 4.2899 8.4077 117.5118 58.5161 28.2785 178.2102 25 N 4.4905 8.3599 117.1954 55.5038 38.5592 176.1897 26 E 4.6799 7.8693 118.6731 56.4903 30.9750 175.6677 27 D 4.4060 7.4971 117.8416 52.7992 41.9479 175.0269 28 A 4.2733 8.3434 128.9188 53.7659 18.6721 178.0977 29 Q 4.2746 7.9666 112.7244 56.0344 29.2309 176.0515 30 A 4.3588 7.8188 121.1854 52.3965 19.2501 177.2104 31 T 4.4730 8.8390 119.0024 62.2206 70.4911 174.1918 32 V 4.8120 8.3371 125.4623 61.2338 34.4428 174.3209 33 Q 4.7703 9.1280 126.5521 54.0080 32.1433 174.6333 34 V 4.6898 8.3523 122.2377 61.1211 34.4622 173.7973 35 D 4.8440 8.7738 128.0149 52.5456 42.1118 177.1908 36 L 4.1229 8.7594 126.4639 57.4809 42.2462 178.6083 37 T 4.2286 8.1262 114.7253 65.8670 68.9494 176.3186 38 S 4.2061 8.5929 114.0935 58.8623 63.6317 174.9664 39 K 3.9649 8.1952 119.6404 56.9939 29.9894 174.6913 40 K 4.7847 7.7075 118.8973 55.4901 33.8589 175.8761 41 V 4.7803 9.0264 125.0126 61.5007 33.9970 174.1174 42 T 5.0640 8.9213 125.3578 61.9107 71.0438 173.6188 43 I 5.0474 9.0256 126.8763 59.7729 41.4586 174.4190 44 T 4.9647 8.6394 123.6033 62.1209 70.7923 173.4571 45 S 4.9674 8.2988 119.2309 57.6219 65.3430 175.0946 46 A 4.1773 9.2546 122.9924 53.7367 18.4607 178.2657 47 L 4.3484 7.7225 116.4086 54.1795 42.4693 177.8697 48 G 3.9364 8.8557 109.4341 43.7862 0.0000 174.6917 49 E 3.9462 8.5568 119.9255 59.2336 29.5594 178.5452 50 E 3.9565 8.1110 118.1770 59.5265 29.5344 179.1409 51 Q 4.0208 8.0274 117.5732 58.8856 28.7271 178.7547 52 L 3.9727 8.1533 120.0914 57.8550 41.6169 179.6082 53 R 3.9275 8.2330 118.2480 59.7193 30.0102 179.3329 54 T 3.8579 8.0038 115.1718 66.4395 68.2278 176.6734 55 A 4.0042 8.0051 121.8406 55.3690 18.8452 179.4778 56 I 3.8065 8.1684 118.4081 64.3861 37.1373 178.4671 57 A 4.4168 8.5774 123.4935 54.6316 17.9640 179.8071 58 S 4.1262 7.9730 111.5517 60.9235 63.0658 175.5943 59 A 4.4556 7.6068 122.0088 51.9341 18.7362 177.7258 60 G 3.8792 8.2176 106.2147 45.4004 0.0000 173.2664 61 H 4.8992 8.0382 118.2510 54.2113 31.8030 173.4312 62 E 4.5050 8.3665 117.9830 54.7456 30.7774 176.5320 63 V 4.6157 8.0168 122.4425 60.0917 33.7197 175.2946 64 E 4.1601 8.8712 125.7687 56.7865 29.1897 176.6677 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 T 8.17 4.53 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 3 I 8.81 4.40 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 1.11 0.80 0.91 0.00 0.00 4 Q 9.59 5.09 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 5 L 9.03 4.90 0.00 1.56 1.50 0.92 0.45 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 6 T 8.36 4.76 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 7 V 8.70 4.93 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 1.27 0.00 0.00 0.92 0.00 0.00 8 P 0.00 4.42 0.00 2.09 2.10 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 9 T 7.80 4.19 4.30 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 0.00 0.00 0.00 1.23 0.00 0.00 10 I 7.47 3.67 1.84 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.88 0.00 0.00 11 A 8.64 4.58 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 12 C 7.64 4.81 0.00 3.11 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 13 E 8.77 4.02 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 2.31 1.95 0.00 14 A 7.95 4.21 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 15 C 8.13 4.03 0.00 3.13 2.91 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 16 A 7.80 3.94 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 17 E 8.36 3.84 0.00 2.22 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 2.30 2.20 0.00 18 A 8.18 4.00 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 19 V 8.03 3.55 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 1.01 0.00 0.00 0.87 0.00 0.00 20 T 8.06 3.87 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 21 K 8.52 3.94 0.00 1.98 1.86 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.33 7.81 22 A 7.92 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.68 2.19 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 1.02 0.00 0.00 0.95 0.00 0.00 24 Q 8.41 4.29 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 25 N 8.36 4.49 0.00 2.86 2.88 0.00 0.00 6.93 8.47 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 26 E 7.87 4.68 0.00 2.05 1.99 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 2.46 2.44 0.00 27 D 7.50 4.41 0.00 2.69 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 28 A 8.34 4.27 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 29 Q 7.97 4.27 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 30 A 7.82 4.36 1.27 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 0.00 0.00 31 T 8.84 4.47 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 32 V 8.34 4.81 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 33 Q 9.13 4.77 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 34 V 8.35 4.69 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 0.75 0.00 0.00 0.91 0.00 0.00 35 D 8.77 4.84 0.00 2.83 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.76 4.12 0.00 1.67 1.71 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.13 4.23 4.37 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 1.21 0.00 0.00 38 S 8.59 4.21 0.00 3.95 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 39 K 8.20 3.96 0.00 2.00 2.08 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.54 7.81 40 K 7.71 4.78 0.00 1.65 1.71 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.52 7.81 41 V 9.03 4.78 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 1.05 0.00 0.00 0.91 0.00 0.00 42 T 8.92 5.06 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 43 I 9.03 5.05 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 1.22 0.67 0.91 0.00 0.00 44 T 8.64 4.96 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 45 S 8.30 4.97 0.00 4.00 3.80 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 46 A 9.25 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.72 4.35 0.00 1.66 1.61 0.92 0.74 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 48 G 8.86 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.56 3.95 0.00 2.04 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 2.38 2.40 0.00 50 E 8.11 3.96 0.00 2.14 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 2.40 1.97 0.00 51 Q 8.03 4.02 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 52 L 8.15 3.97 0.00 1.83 1.71 0.92 0.81 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 53 R 8.23 3.93 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 54 T 8.00 3.86 4.37 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 1.21 0.00 0.00 55 A 8.01 4.00 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 56 I 8.17 3.81 1.88 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 1.45 1.21 0.93 0.00 0.00 57 A 8.58 4.42 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 58 S 7.97 4.13 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.61 4.46 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 60 G 8.22 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 0.00 0.00 0.00 61 H 8.04 4.90 0.00 3.18 3.19 0.00 5.61 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.37 4.51 0.00 1.84 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 2.20 2.10 0.00 63 V 8.02 4.62 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 1.00 0.00 0.00 0.94 0.00 0.00 64 E 8.87 4.16 0.00 1.99 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 2.35 2.38 0.00