NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0145 8.3393 109.7367 46.5643 0.0000 171.1364 2 D 4.6071 9.0020 116.7903 54.3315 47.0162 174.8426 3 T 3.1209 8.1004 118.3226 64.2278 68.8019 171.5567 4 L 4.0575 8.3293 123.1230 53.1881 42.0181 176.5138 5 G 3.6304 8.6319 107.9097 46.3148 0.0000 172.9954 6 A 4.0526 7.9828 122.3218 52.6764 18.1875 177.9243 7 S 4.4919 8.3152 115.3135 59.9382 68.0026 175.1748 8 W 4.7254 7.8475 118.4250 56.5823 30.7073 175.0515 9 H 5.0289 8.5765 113.2048 56.5136 28.5583 175.1900 10 R 3.8300 8.1008 118.3411 56.2672 27.0896 176.2351 11 P 4.6257 0.0000 0.0000 63.1395 34.6000 174.3811 12 D 4.4846 8.7440 124.5597 54.7590 47.3800 176.6450 13 K 4.6577 8.7909 121.1738 56.7688 37.1595 175.2955 14 C 4.9207 8.1057 114.3379 58.6141 43.9543 174.3582 15 C 4.7436 7.4513 117.0178 56.5553 45.9265 173.3256 16 L 4.4087 8.7456 119.6432 54.8699 40.8668 177.6767 17 G 4.0762 8.2267 112.8955 43.8808 0.0000 174.0087 18 Y 5.1489 7.5908 113.5347 56.6111 41.4630 173.3618 19 Q 3.9779 9.9340 126.9641 57.0406 29.6021 176.4449 20 K 4.2310 8.6950 125.4776 58.1756 33.1552 176.9910 21 R 4.2025 7.4895 115.9371 54.2299 31.0883 174.1804 22 P 3.5613 0.0000 0.0000 62.3233 31.9650 175.8246 23 L 4.5080 6.4635 120.7263 52.0799 44.5878 175.0582 24 P 4.6582 0.0000 0.0000 62.2459 33.2582 175.0097 25 Q 4.3509 8.3414 116.1937 57.3297 30.9069 177.0029 26 V 3.8719 7.8557 114.6012 64.0084 31.6078 175.5321 27 L 4.4338 7.7369 119.0738 55.8675 43.2257 175.7748 28 L 4.5947 7.3345 117.2044 53.4709 42.8764 174.8261 29 S 4.6250 8.5762 115.4182 59.5255 62.1353 176.0389 30 S 5.0748 7.6391 112.9744 57.4764 67.1810 170.8130 31 W 5.3223 8.3155 115.2477 57.1353 31.7458 172.9249 32 Y 4.2956 8.2066 113.5665 55.4686 40.7091 172.1923 33 P 4.8575 0.0000 0.0000 63.3129 32.5493 175.4506 34 T 4.8210 8.4176 111.7782 60.4185 71.7731 172.7025 35 S 4.7017 8.3940 115.0871 56.6845 64.1438 174.1923 36 Q 4.5120 8.4522 121.1405 56.2528 28.4550 178.0883 37 L 4.2061 7.4305 118.9278 57.2016 42.1500 176.9749 38 C 4.6556 7.1050 113.3344 56.5220 41.9403 173.1274 39 S 3.9516 8.3635 115.2002 60.4544 62.9029 174.3460 40 K 4.0343 7.2172 116.2909 54.9679 32.5530 172.4106 41 P 4.8695 0.0000 0.0000 60.9656 33.6297 177.6945 42 G 4.1796 7.2891 105.6537 46.0370 0.0000 172.3277 43 V 4.6634 7.9841 123.9527 60.7885 34.5285 174.7007 44 I 4.6477 7.7080 120.6301 59.4240 40.5949 174.8263 45 F 5.5104 9.1902 122.8136 56.0687 42.7186 174.3938 46 L 5.2790 9.6839 119.5461 53.6960 45.4323 178.2992 47 T 4.2058 9.0396 116.0208 61.7828 68.7314 174.9049 48 K 4.5235 8.6978 124.0770 56.6245 32.1863 176.0829 49 R 4.5024 7.1729 114.9362 55.9666 33.2388 176.3797 50 G 4.1266 7.9368 106.3331 45.9540 0.0000 172.3375 51 R 4.7168 8.1837 119.6380 54.2695 32.2356 175.6112 52 Q 5.2419 8.7677 121.8607 54.3430 31.7442 174.7785 53 V 4.7090 9.0383 120.6101 61.4071 35.8710 173.4882 54 C 5.3836 8.8389 122.6957 54.9613 40.7995 172.4224 55 A 4.7557 9.2742 127.4418 49.8147 23.0896 174.6567 56 D 3.4803 7.5788 118.5798 53.6152 40.8183 176.8717 57 K 3.1304 8.4534 129.5319 59.4379 32.0994 177.1479 58 S 4.3078 7.6877 110.7140 58.4402 63.1231 174.4762 59 K 4.2055 8.8152 123.9713 56.0194 32.7041 176.6220 60 D 4.3873 8.8593 125.2993 57.5930 40.6492 179.1457 61 W 4.2367 8.3152 115.4502 59.7234 28.1268 178.0466 62 V 2.2243 5.6258 118.0875 64.9741 30.7229 177.3984 63 K 3.5162 7.7866 118.3984 59.5401 32.2767 177.7416 64 K 3.9869 7.6056 118.8859 59.3480 32.0426 179.6123 65 L 3.7381 7.4575 117.5862 55.2018 41.2527 178.9144 *67 Q 4.2195 8.1685 121.2980 56.0513 30.5066 176.0352 68 Q 4.2944 7.8661 114.8421 57.3111 29.4321 176.0290 69 L 4.8451 8.2773 117.6548 53.1279 43.4551 174.9081 70 P 4.7398 0.0000 0.0000 62.1486 33.0847 176.4782 71 V 2.0190 8.2650 123.4677 60.4431 28.6623 175.3369 72 T 3.8653 8.0050 126.3773 63.8636 70.0449 172.2921 73 A 3.8429 8.0955 127.2808 53.0001 21.3861 177.5995 *74 R 4.0675 8.3416 116.6449 56.6690 30.1622 173.4809 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 G 8.34 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 2 D 9.00 4.61 0.00 2.84 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 3 T 8.10 3.12 4.23 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 1.20 0.00 0.00 4 L 8.33 4.06 0.00 1.61 1.49 0.92 0.86 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 5 G 8.63 3.63 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 0.00 0.00 0.00 6 A 7.98 4.05 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 7 S 8.32 4.49 0.00 3.72 3.50 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 8 W 7.85 4.73 0.00 3.46 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 9 H 8.58 5.03 0.00 3.16 3.28 0.00 5.87 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.10 3.83 0.00 1.99 1.98 0.00 3.24 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 11 P 0.00 4.63 0.00 1.96 1.73 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.71 0.00 12 D 8.74 4.48 0.00 2.60 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 13 K 8.79 4.66 0.00 1.67 1.66 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.40 7.81 14 C 8.11 4.92 0.00 2.87 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 15 C 7.45 4.74 0.00 2.90 2.94 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 16 L 8.75 4.41 0.00 1.76 1.75 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.23 4.08 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 0.00 0.00 0.00 18 Y 7.59 5.15 0.00 2.91 2.89 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 19 Q 9.93 3.98 0.00 2.05 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 20 K 8.70 4.23 0.00 1.77 1.79 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.47 7.81 21 R 7.49 4.20 0.00 1.73 1.70 0.00 3.18 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 22 P 0.00 3.56 0.00 1.90 1.73 0.00 3.53 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 23 L 6.46 4.51 0.00 0.91 1.76 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.66 0.00 2.17 2.07 0.00 3.65 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 25 Q 8.34 4.35 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.50 7.04 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 26 V 7.86 3.87 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 0.78 0.00 0.00 0.93 0.00 0.00 27 L 7.74 4.43 0.00 1.61 1.65 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.33 4.59 0.00 1.73 1.81 0.89 0.81 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 29 S 8.58 4.62 0.00 3.88 4.02 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 0.00 0.00 0.00 30 S 7.64 5.07 0.00 4.13 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 31 W 8.32 5.32 0.00 3.21 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 32 Y 8.21 4.30 0.00 2.92 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 33 P 0.00 4.86 0.00 2.16 2.23 0.00 3.53 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 34 T 8.42 4.82 4.34 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 0.00 0.00 0.00 1.20 0.00 0.00 35 S 8.39 4.70 0.00 3.94 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.45 4.51 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 37 L 7.43 4.21 0.00 1.67 1.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.10 4.66 0.00 2.94 3.02 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 0.00 0.00 0.00 39 S 8.36 3.95 0.00 3.72 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 40 K 7.22 4.03 0.00 1.47 1.46 0.00 1.43 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.43 1.02 7.81 41 P 0.00 4.87 0.00 2.26 2.31 0.00 3.52 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 42 G 7.29 4.18 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 0.00 43 V 7.98 4.66 1.77 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 0.03 0.00 0.00 0.93 0.00 0.00 44 I 7.71 4.65 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.66 0.00 0.00 45 F 9.19 5.51 0.00 3.07 3.09 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 0.00 0.00 0.00 46 L 9.68 5.28 0.00 1.81 1.63 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.04 4.21 4.29 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 1.31 0.00 0.00 48 K 8.70 4.52 0.00 1.78 1.87 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.40 7.81 49 R 7.17 4.50 0.00 1.78 1.76 0.00 3.26 0.00 0.00 3.24 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 50 G 7.94 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 0.00 0.00 0.00 0.00 51 R 8.18 4.72 0.00 1.83 1.89 0.00 3.11 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 52 Q 8.77 5.24 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 53 V 9.04 4.71 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 1.41 0.00 0.00 1.05 0.00 0.00 54 C 8.84 5.38 0.00 3.07 3.03 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 55 A 9.27 4.76 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 56 D 7.58 3.48 0.00 1.58 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 0.00 0.00 0.00 0.00 57 K 8.45 3.13 0.00 1.59 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.15 7.81 58 S 7.69 4.31 0.00 3.94 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 59 K 8.82 4.21 0.00 1.44 1.45 0.00 2.02 0.00 0.00 2.13 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.77 7.81 60 D 8.86 4.39 0.00 2.83 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 61 W 8.32 4.24 0.00 3.54 3.17 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 0.00 0.00 0.00 0.00 62 V 5.63 2.22 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 0.75 0.00 0.00 -0.96 0.00 0.00 63 K 7.79 3.52 0.00 1.67 1.78 0.00 1.79 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.34 7.81 64 K 7.61 3.99 0.00 1.82 1.91 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 65 L 7.46 3.74 0.00 1.25 1.11 0.36 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 *67 Q 8.17 4.22 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 68 Q 7.87 4.29 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 69 L 8.28 4.85 0.00 1.86 2.02 0.93 1.16 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 70 P 0.00 4.74 0.00 2.10 2.22 0.00 3.90 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 71 V 8.27 2.02 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 0.51 0.00 0.00 0.30 0.00 0.00 72 T 8.01 3.87 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 1.15 0.00 0.00 73 A 8.10 3.84 1.15 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 *74 R 8.34 4.07 0.00 1.52 1.69 0.00 3.19 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.