NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 C 4.5392 8.3293 115.6109 57.3046 31.3885 172.8265 9 F 4.6644 6.9266 112.9097 55.3066 39.9811 172.2037 10 A 4.1889 8.5975 125.5660 52.7690 20.0236 179.3588 11 T 4.7669 8.3107 111.3152 61.8139 69.5845 176.9476 12 L 4.0977 7.9473 124.3260 58.4799 41.7033 179.2877 13 G 3.6475 8.1527 105.0344 47.7042 0.0000 175.4145 14 A 4.0826 8.0503 122.6064 55.1779 18.2233 179.6622 15 T 3.8043 7.4952 112.9767 66.7680 68.8048 176.4466 16 L 3.8652 7.6216 120.6797 57.8595 41.3813 179.4763 17 Q 4.3621 8.2015 117.9324 59.4059 28.5301 178.7373 18 D 4.5525 8.1174 117.6498 56.2493 41.1139 177.8364 19 S 4.5096 8.2342 115.4860 57.8056 63.3419 174.1024 20 I 4.0542 6.9220 123.6266 63.0122 37.2188 176.5822 21 G 3.9984 9.4336 113.9329 45.0065 0.0000 173.2856 22 K 4.6474 7.9893 119.3945 54.5957 35.0328 175.5562 23 Q 4.7188 8.4843 123.6045 56.1795 30.6429 175.0297 24 V 4.9573 9.1429 118.4880 59.4843 36.1790 174.0614 25 L 4.9911 9.1699 126.0312 53.8032 43.9916 175.3166 26 V 4.8465 9.1938 126.0245 61.0281 34.5650 174.1212 27 K 4.8762 7.8289 126.2474 54.5363 34.9028 175.1983 28 L 5.1783 8.5201 122.7729 52.2859 45.2675 175.9713 29 R 3.8298 8.5576 118.9919 56.9726 31.4110 176.7381 30 D 4.2212 9.1111 116.8184 55.6390 38.3455 174.0447 31 S 3.6962 7.2280 107.6874 60.0783 60.9579 172.0152 32 H 4.8639 7.6790 115.7980 54.3637 31.2894 174.8169 33 E 4.9476 8.6113 121.8491 54.6394 32.6600 174.2588 34 I 5.2048 9.0773 127.1848 59.7354 41.8458 174.6893 35 R 5.4299 8.1989 122.3535 53.6600 34.8246 174.5981 36 G 4.2833 8.1034 107.8829 46.0332 0.0000 171.8008 37 I 4.6609 8.1803 121.6923 60.1299 38.5353 175.6755 38 L 4.3653 8.8669 130.5681 55.5813 42.1845 177.1493 39 R 4.6829 8.8685 125.8280 57.4142 32.3705 176.2503 40 S 4.7893 7.7865 111.3035 57.6174 65.9734 172.8366 41 F 5.6201 8.0359 116.6489 57.2888 40.4469 172.0754 42 D 4.9343 8.4759 118.5514 50.9527 42.3519 176.3793 43 Q 4.0627 8.6007 116.1509 59.2747 28.7112 176.8737 44 H 4.5637 8.5707 114.8484 55.3628 28.5794 175.9417 45 V 3.5532 8.1651 118.7540 63.7096 30.4599 170.9779 46 N 4.9054 8.3182 115.0623 52.8441 39.7468 174.0675 47 L 5.2763 9.3047 122.0715 52.8237 46.3129 175.1484 48 L 5.1564 8.7358 123.1335 53.4629 44.5293 175.1435 49 L 5.3281 9.3115 126.3217 53.0386 45.1906 175.4788 50 E 4.9071 8.7917 120.6032 54.6555 33.6340 175.3751 51 D 4.5067 8.7142 117.8617 55.3478 38.8496 174.0900 52 A 4.8122 8.4465 119.7829 52.0103 20.3961 177.2645 53 E 5.1622 9.1591 116.0863 55.3635 33.5225 174.0157 54 E 5.0432 9.3319 121.3628 55.1241 32.3283 175.2199 55 I 4.9483 8.5367 124.1964 59.9069 39.0175 175.4465 56 I 4.3899 9.0764 129.1199 60.3605 39.5431 176.0069 57 D 4.4314 9.8872 127.1957 55.4333 38.1655 175.0599 58 G 4.0434 8.2953 105.6223 45.5307 0.0000 173.1519 59 N 4.8577 7.9908 117.4182 51.7903 40.9891 174.1148 60 V 4.6601 8.0134 121.9447 61.7114 33.2709 174.5438 61 Y 4.5161 9.2076 125.9778 55.8410 40.1957 175.2223 62 K 4.5213 8.7453 124.6425 56.6969 32.2236 177.3802 63 R 4.4583 9.6903 123.1185 54.2340 33.1584 176.7550 64 G 4.0268 8.4905 104.7467 44.8628 0.0000 175.7507 65 T 4.7009 8.4292 120.2786 63.1338 69.2518 172.4607 66 M 4.7708 9.2890 125.3858 54.0394 36.2922 173.4290 67 V 4.7277 8.4780 125.6472 61.3562 33.3555 174.6087 68 V 4.4137 8.7312 128.6531 61.0134 33.9373 174.9074 69 R 4.5864 8.5818 127.1953 55.5022 30.8519 177.7175 70 G 3.9296 9.8328 112.6218 47.2097 0.0000 174.9112 71 E 3.8407 8.3517 119.7925 59.0719 29.6078 177.1772 72 N 4.6960 7.8840 113.5776 52.9547 39.1691 174.9233 73 V 3.9304 7.7382 120.0695 62.9310 32.2328 175.2905 74 L 4.5319 8.6627 128.4552 56.5629 42.2993 176.6665 75 F 5.0712 7.2651 111.3997 55.8271 41.5597 172.3690 76 I 5.1528 8.5196 119.5598 59.7007 40.3369 175.1743 77 S 4.6085 9.6052 121.8789 55.6390 65.4272 171.2615 78 P 4.6641 0.0000 0.0000 62.9757 31.6226 176.2394 79 V 3.7628 8.6343 125.1405 61.9911 31.9405 174.1222 80 P 4.1309 0.0000 0.0000 63.8741 31.8086 176.5436 81 G 4.2000 8.7324 110.6096 46.1073 0.0000 173.2554 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 8 C 8.33 4.54 0.00 3.17 3.11 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 0.00 0.00 0.00 9 F 6.93 4.66 0.00 3.19 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 10 A 8.60 4.19 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 11 T 8.31 4.77 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 1.11 0.00 0.00 12 L 7.95 4.10 0.00 1.78 1.75 0.93 0.89 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 13 G 8.15 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.08 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.50 3.80 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 1.18 0.00 0.00 16 L 7.62 3.87 0.00 1.04 0.28 0.50 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.20 4.36 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.69 2.98 0.00 18 D 8.12 4.55 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 19 S 8.23 4.51 0.00 3.93 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 20 I 6.92 4.05 1.95 0.00 0.00 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 1.36 0.54 0.96 0.00 0.00 21 G 9.43 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 0.00 0.00 0.00 22 K 7.99 4.65 0.00 1.79 1.72 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.38 7.81 23 Q 8.48 4.72 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 24 V 9.14 4.96 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 0.83 0.00 0.00 1.03 0.00 0.00 25 L 9.17 4.99 0.00 1.81 1.80 1.09 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 V 9.19 4.85 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 0.89 0.00 0.00 0.94 0.00 0.00 27 K 7.83 4.88 0.00 0.79 1.30 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 1.00 7.81 28 L 8.52 5.18 0.00 1.52 1.61 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.56 3.83 0.00 1.73 1.87 0.00 3.42 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 30 D 9.11 4.22 0.00 2.91 2.76 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 31 S 7.23 3.70 0.00 3.94 3.89 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 32 H 7.68 4.86 0.00 3.04 3.16 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.61 4.95 0.00 1.97 1.75 0.00 0.00 0.00 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 2.30 0.00 34 I 9.08 5.20 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.92 0.00 0.00 35 R 8.20 5.43 0.00 1.73 1.77 0.00 3.22 0.00 0.00 3.29 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 36 G 8.10 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 37 I 8.18 4.66 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.02 0.91 0.00 0.00 38 L 8.87 4.37 0.00 1.81 1.76 1.11 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.87 4.68 0.00 1.74 1.96 0.00 3.42 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 40 S 7.79 4.79 0.00 3.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.04 5.62 0.00 3.07 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 42 D 8.48 4.93 0.00 2.85 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 Q 8.60 4.06 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.13 0.00 0.00 0.00 0.00 0.00 2.18 1.97 0.00 44 H 8.57 4.56 0.00 3.46 3.40 0.00 5.92 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.17 3.55 2.12 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 0.93 0.00 0.00 0.96 0.00 0.00 46 N 8.32 4.91 0.00 3.05 2.75 0.00 0.00 6.79 6.74 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 47 L 9.30 5.28 0.00 1.54 1.57 0.93 0.53 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 48 L 8.74 5.16 0.00 1.77 1.61 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.31 5.33 0.00 1.56 1.53 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.79 4.91 0.00 1.90 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 2.26 0.00 51 D 8.71 4.51 0.00 2.79 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 52 A 8.45 4.81 1.25 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 0.00 0.00 53 E 9.16 5.16 0.00 2.11 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 0.00 2.39 2.32 0.00 54 E 9.33 5.04 0.00 2.04 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 2.27 2.30 0.00 55 I 8.54 4.95 1.91 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 1.26 0.49 0.95 0.00 0.00 56 I 9.08 4.39 2.07 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 0.88 0.00 0.00 57 D 9.89 4.43 0.00 2.85 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 58 G 8.30 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 0.00 0.00 0.00 59 N 7.99 4.86 0.00 2.82 2.49 0.00 0.00 6.38 7.28 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 60 V 8.01 4.66 2.00 0.00 0.00 0.00 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 0.91 0.00 0.00 61 Y 9.21 4.52 0.00 2.95 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 62 K 8.75 4.52 0.00 1.66 1.77 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 63 R 9.69 4.46 0.00 1.63 1.95 0.00 3.34 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 64 G 8.49 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 65 T 8.43 4.70 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 1.22 0.00 0.00 66 M 9.29 4.77 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 67 V 8.48 4.73 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 0.83 0.00 0.00 0.94 0.00 0.00 68 V 8.73 4.41 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 0.90 0.00 0.00 0.93 0.00 0.00 69 R 8.58 4.59 0.00 1.90 1.84 0.00 3.18 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 70 G 9.83 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 0.00 0.00 0.00 71 E 8.35 3.84 0.00 1.93 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 0.00 2.30 2.36 0.00 72 N 7.88 4.70 0.00 2.77 2.79 0.00 0.00 6.65 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 73 V 7.74 3.93 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 0.76 0.00 0.00 0.94 0.00 0.00 74 L 8.66 4.53 0.00 1.44 1.69 0.89 0.71 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 75 F 7.27 5.07 0.00 3.01 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 76 I 8.52 5.15 1.90 0.00 0.00 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 1.26 0.93 0.92 0.00 0.00 77 S 9.61 4.61 0.00 3.71 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 78 P 0.00 4.66 0.00 2.11 2.05 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 79 V 8.63 3.76 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 0.77 0.00 0.00 1.00 0.00 0.00 80 P 0.00 4.13 0.00 2.07 1.98 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 81 G 8.73 4.20 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 0.00