NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2581 8.3645 123.5823 52.5477 19.8066 176.8638 1 N 4.5934 8.5078 113.3335 51.3003 38.2484 168.6433 2 Q 4.3316 8.2639 122.3636 56.7145 30.5459 174.8961 3 A 4.6742 8.6216 128.6320 51.5366 20.8375 175.9447 4 S 5.1207 9.0550 116.1282 56.3045 67.2537 173.4900 5 V 4.3284 8.5391 121.9652 62.8421 32.3670 174.9833 6 V 4.9064 8.5521 127.0873 60.6949 35.0609 174.3203 7 A 4.5466 8.9346 129.9437 52.2680 18.9832 177.3564 8 N 4.8031 9.1138 121.3929 53.9876 39.6259 174.1263 9 Q 4.6206 7.5568 113.8774 55.4105 31.6835 173.6461 10 L 4.1798 8.5191 122.4263 55.5348 42.8549 175.9822 11 I 4.3854 8.8499 127.8568 58.8875 38.9562 173.6230 12 P 4.6065 0.0000 0.0000 62.0292 32.5651 176.1705 13 I 3.9622 8.3568 122.3259 62.9508 38.2512 175.5741 14 Q 3.6685 8.5095 123.6957 56.9614 27.1176 173.7260 15 T 4.2890 7.8158 115.3936 63.2025 69.8363 173.7320 16 A 4.7686 8.4591 127.5849 51.2424 19.5478 177.3260 17 L 4.2434 9.1137 124.2649 55.0984 43.0911 176.5706 18 T 4.9156 8.2810 112.0456 59.5053 72.1977 174.9824 19 L 4.0564 8.5385 121.5942 57.8557 41.8904 180.2431 20 V 3.7068 7.7685 110.8697 64.2568 31.7523 176.8964 21 M 4.2453 8.0365 118.1968 56.4108 32.2487 175.2104 22 M 5.2350 7.7892 118.7039 53.3865 34.6773 175.3680 23 R 4.6693 8.9987 120.3133 54.4019 33.3829 174.3580 24 S 5.3198 8.4125 113.5886 56.6763 64.2809 172.7853 25 E 4.7298 9.0125 125.0049 55.0464 34.5932 174.6401 26 V 4.4041 8.3297 122.6182 62.0775 31.7854 175.4922 27 V 4.5971 8.2579 120.1122 59.7559 35.5723 175.1557 28 T 4.5775 8.1605 117.6745 60.9198 70.8886 172.8083 29 P 4.4907 0.0000 0.0000 62.1495 32.2853 175.8248 30 V 3.9171 8.1548 118.9488 62.5880 32.6845 175.8661 31 G 4.3964 8.0903 115.0907 45.4001 0.0000 172.7421 32 I 3.9764 8.5697 123.3902 60.7322 38.3828 174.3738 33 P 4.6834 0.0000 0.0000 62.7751 31.9534 177.3032 34 A 3.9690 8.9166 126.0255 55.4763 17.9678 179.9255 35 E 4.0442 8.1356 115.6248 59.0714 29.8802 177.9855 36 D 4.6843 8.3238 117.8470 54.5970 41.1467 177.9653 37 I 3.6683 7.6134 122.1678 64.2777 37.3259 175.9830 38 P 4.2678 0.0000 0.0000 65.9056 30.9721 178.5507 39 R 4.2154 7.9456 114.7259 58.0953 30.3540 178.0887 40 L 4.3247 7.8932 118.3863 54.8406 42.0442 176.8954 41 V 3.9977 6.7469 118.2187 64.1647 31.8400 176.3151 42 S 4.1566 9.0211 122.1445 58.8526 61.5158 169.5203 43 M 4.5562 7.9213 120.6788 54.4466 33.8342 175.3641 44 Q 5.0067 8.4894 120.2931 55.0430 31.4122 175.2564 45 V 4.5778 8.3626 115.9993 60.4105 33.6326 176.1273 46 N 4.9061 8.9283 121.1427 52.5423 38.4384 174.0948 47 R 4.6287 7.5096 113.7168 55.3622 32.2808 174.1405 48 A 4.3453 8.5404 122.0365 51.9137 19.5999 177.3804 49 V 4.2165 8.6440 122.1835 60.2552 33.6812 173.3923 50 P 4.6347 0.0000 0.0000 62.0020 32.7374 175.9698 51 L 4.0278 8.3839 123.6115 57.0082 42.2353 177.6423 52 G 3.9674 9.1919 114.5153 45.4631 0.0000 173.3985 53 T 4.2963 7.6412 117.2836 63.1502 69.9774 174.2849 54 T 4.4194 8.3504 122.5826 63.1788 69.5792 174.0188 55 L 4.0998 9.1311 129.8868 55.2744 43.1764 175.8871 56 M 4.8312 8.4521 125.4630 52.6983 34.6423 174.9521 57 P 4.2202 0.0000 0.0000 65.9674 31.5746 178.2669 58 D 4.5541 8.0060 114.7943 55.2358 39.7829 176.6444 59 M 4.5346 8.1374 118.9299 55.1707 32.6491 175.5515 60 V 4.6362 7.3002 119.9517 60.3822 33.3854 174.6921 61 K 4.0708 8.9225 128.3525 57.9405 32.0091 177.5494 62 G 3.9488 9.0505 112.8725 45.1251 0.0000 172.2873 63 Y 4.2480 7.5274 121.5965 56.9371 39.2484 174.5211 64 A 4.3807 7.8264 128.6925 50.2140 22.3274 175.3490 65 A 4.0019 8.0008 123.4137 52.2550 19.3919 175.9243 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 0 A 8.36 4.26 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 1 N 8.51 4.59 0.00 2.82 2.69 0.00 0.00 6.52 6.57 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 2 Q 8.26 4.33 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 3 A 8.62 4.67 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 4 S 9.05 5.12 0.00 3.69 3.81 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 5 V 8.54 4.33 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 0.81 0.00 0.00 0.92 0.00 0.00 6 V 8.55 4.91 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 1.07 0.00 0.00 0.92 0.00 0.00 7 A 8.93 4.55 1.32 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 0.00 0.00 0.00 8 N 9.11 4.80 0.00 2.67 2.96 0.00 0.00 7.04 7.13 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 9 Q 7.56 4.62 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 10 L 8.52 4.18 0.00 1.65 1.62 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.85 4.39 1.86 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 1.22 0.81 0.90 0.00 0.00 12 P 0.00 4.61 0.00 2.06 1.96 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 13 I 8.36 3.96 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 1.41 0.81 0.91 0.00 0.00 14 Q 8.51 3.67 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 15 T 7.82 4.29 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 1.21 0.00 0.00 16 A 8.46 4.77 1.23 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 0.00 0.00 17 L 9.11 4.24 0.00 1.75 1.59 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.28 4.92 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 19 L 8.54 4.06 0.00 1.73 1.76 0.92 0.87 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 20 V 7.77 3.71 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 0.70 0.00 0.00 0.98 0.00 0.00 21 M 8.04 4.25 0.00 2.10 2.23 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 2.60 2.50 0.00 22 M 7.79 5.24 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 23 R 9.00 4.67 0.00 1.83 2.02 0.00 2.72 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 24 S 8.41 5.32 0.00 3.87 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 25 E 9.01 4.73 0.00 1.91 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 2.22 2.25 0.00 26 V 8.33 4.40 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 0.88 0.00 0.00 0.93 0.00 0.00 27 V 8.26 4.60 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 0.80 0.00 0.00 0.92 0.00 0.00 28 T 8.16 4.58 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 29 P 0.00 4.49 0.00 2.17 2.06 0.00 3.75 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 1.95 0.00 30 V 8.15 3.92 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.09 4.40 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 0.00 32 I 8.57 3.98 1.72 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.66 0.75 0.00 0.00 33 P 0.00 4.68 0.00 2.11 2.01 0.00 3.85 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 2.16 2.13 0.00 34 A 8.92 3.97 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 35 E 8.14 4.04 0.00 1.97 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 0.00 2.33 2.36 0.00 36 D 8.32 4.68 0.00 2.87 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 37 I 7.61 3.67 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.02 0.91 0.00 0.00 38 P 0.00 4.27 0.00 2.17 2.12 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 39 R 7.95 4.22 0.00 2.03 2.06 0.00 3.17 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 40 L 7.89 4.32 0.00 1.85 1.68 0.82 0.60 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 41 V 6.75 4.00 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 0.76 0.00 0.00 0.93 0.00 0.00 42 S 9.02 4.16 0.00 4.08 4.06 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 43 M 7.92 4.56 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 44 Q 8.49 5.01 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 45 V 8.36 4.58 2.15 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 0.82 0.00 0.00 1.01 0.00 0.00 46 N 8.93 4.91 0.00 2.82 3.03 0.00 0.00 6.87 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.51 4.63 0.00 1.79 1.90 0.00 3.02 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 48 A 8.54 4.35 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 49 V 8.64 4.22 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 0.85 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.63 0.00 2.10 1.95 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 51 L 8.38 4.03 0.00 1.57 1.58 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.19 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 53 T 7.64 4.30 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 1.20 0.00 0.00 54 T 8.35 4.42 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 1.24 0.00 0.00 55 L 9.13 4.10 0.00 1.79 1.44 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.45 4.83 0.00 2.13 1.95 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 2.58 2.63 0.00 57 P 0.00 4.22 0.00 2.27 2.43 0.00 3.61 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 2.21 2.20 0.00 58 D 8.01 4.55 0.00 2.80 2.82 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 59 M 8.14 4.53 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 60 V 7.30 4.64 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 1.06 0.00 0.00 0.78 0.00 0.00 61 K 8.92 4.07 0.00 1.94 1.77 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 9.05 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 0.00 0.00 0.00 63 Y 7.53 4.25 0.00 2.86 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 64 A 7.83 4.38 1.05 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 0.00 0.00 65 A 8.00 4.00 1.04 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