NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6394 8.1476 118.3288 55.3575 33.6032 173.3014 2 Q 4.9769 8.1736 115.0623 52.7937 32.2978 172.6972 3 I 4.2410 9.4318 114.6233 59.3344 42.3641 175.4326 4 F 5.0728 8.6878 123.1721 56.0984 40.2965 175.1730 5 V 4.4309 8.9726 126.1905 61.3420 32.2369 174.8636 6 K 4.6563 9.0812 131.9611 56.5301 33.0951 176.5690 7 T 4.6219 8.9103 118.6698 60.8715 70.1803 176.0032 8 L 4.0815 8.1165 122.0025 57.4931 41.6831 178.3801 9 T 4.0931 7.8109 111.4847 62.5214 67.6263 174.4093 10 G 3.8672 8.2464 108.5213 46.5892 0.0000 173.0554 11 K 4.6860 7.4990 119.1168 54.4753 35.8155 174.9457 12 T 4.9805 8.2963 119.6628 61.9061 71.6795 173.2850 13 I 4.3227 8.7805 128.7661 59.6547 39.3505 174.9029 14 T 5.0516 8.6037 126.9811 63.4501 69.4198 174.2028 15 L 4.8485 9.0888 124.6557 54.2745 44.5543 174.6010 16 E 5.0435 8.7042 119.9212 55.1829 31.2730 175.8316 17 V 4.3589 8.4585 117.4872 60.5479 35.7295 173.4957 18 E 4.7953 8.3187 117.9254 54.2355 32.9199 175.2336 19 P 4.1361 0.0000 0.0000 65.6541 31.4586 178.1322 20 S 4.4283 7.8341 109.5899 58.2088 63.8599 173.5576 21 D 4.4725 8.0809 123.1969 54.1621 41.7264 175.6699 22 T 4.5618 8.2661 116.6791 61.4249 71.1094 175.4623 23 I 3.6460 8.7167 124.7872 64.8635 37.2218 178.2543 24 E 4.3463 8.1434 121.1413 58.9450 29.5056 178.5180 25 N 4.3903 7.7885 116.5293 56.1344 38.9751 177.0706 26 V 3.5372 7.9999 120.1308 66.0856 31.7123 178.0977 27 K 4.5340 8.7583 119.6177 58.9620 31.8625 179.2009 28 A 4.0436 8.0806 120.9989 55.0068 18.2603 179.8657 29 K 4.0022 8.1219 117.1855 59.4941 32.0791 179.6275 30 I 3.7284 7.7904 120.3528 64.3577 37.0822 178.0888 31 Q 4.3104 8.1736 121.7637 58.6791 28.5896 177.9954 32 D 4.3206 7.8427 118.1964 57.0252 41.3579 177.7511 33 K 4.2936 7.8965 117.4319 57.5177 32.5322 177.4347 34 E 4.4132 8.9347 117.0390 56.0664 31.8523 177.0473 35 G 4.0270 8.1749 104.7568 45.0774 0.0000 172.8453 36 I 4.2938 7.5049 121.0284 58.8614 38.7656 173.6699 37 P 4.4812 0.0000 0.0000 61.5840 32.1709 175.7845 38 P 4.2797 0.0000 0.0000 65.8339 31.1486 178.1700 39 D 4.3303 8.1374 118.0131 56.3240 41.4448 176.6071 40 Q 4.4229 8.0565 118.2821 55.7810 29.8668 173.8831 41 Q 5.0566 7.8805 118.8671 55.1105 32.0123 174.4030 42 R 5.0344 9.0810 124.1622 54.2505 34.4106 174.2745 43 L 5.1793 8.2798 121.5805 53.5055 45.1752 175.1732 44 I 4.9980 8.7058 126.3444 59.6378 41.0691 174.4368 45 F 5.0483 9.0448 126.3087 57.1291 42.8477 174.4382 46 A 3.2783 9.3164 129.0661 53.1667 15.8256 176.7455 47 G 3.7705 8.5506 103.4289 47.4098 0.0000 174.0448 48 K 4.5812 7.8719 118.5004 54.3448 35.6237 174.2163 49 Q 4.9976 8.4196 123.4644 54.3717 31.3926 174.4731 50 L 4.6634 8.5992 125.0275 52.9337 44.6472 175.3286 51 E 4.7996 8.8409 117.5696 54.5206 32.5085 176.9334 52 D 4.4351 8.9825 120.9902 57.6196 41.0628 178.4329 53 G 3.9103 8.0636 104.7023 46.0008 0.0000 172.9227 54 R 4.5418 8.0341 120.0358 54.4864 32.8734 174.5819 55 T 5.1335 7.6544 107.4022 59.5973 72.2687 174.9204 56 L 3.9856 8.4091 121.1681 58.1823 41.8906 180.3743 57 S 4.1129 8.5692 114.9587 61.5092 62.9338 176.3352 58 D 4.0990 7.6825 118.7994 56.7856 40.9200 176.2551 59 Y 4.4960 7.6417 113.7967 57.0308 38.1460 174.8453 60 N 4.2711 8.2327 116.7609 54.2558 38.1533 174.1561 61 I 3.6908 7.4209 116.5456 61.1107 37.6083 175.5115 62 Q 4.7238 7.9692 122.3253 53.7109 32.0114 174.9981 63 K 4.0814 8.5224 117.7342 57.5196 33.1986 175.6204 64 E 3.1053 8.0936 115.0081 57.6102 29.2063 174.8721 65 S 4.9535 7.0379 112.7086 58.1269 67.1201 174.2276 66 T 5.2336 8.6708 118.3692 62.1731 70.6656 173.3435 67 L 5.1780 9.1649 126.1617 53.7274 46.6642 174.3686 68 H 5.4300 9.3577 117.2856 53.7486 32.4050 172.6231 69 L 5.1036 8.8381 124.2123 53.4360 44.5324 175.6469 70 V 4.4708 8.6844 118.6477 59.3848 35.8309 174.0373 71 L 4.8241 8.3931 124.1582 53.5567 43.1425 176.1682 72 R 4.4929 8.5108 122.6495 56.1590 29.8931 176.3031 73 L 4.0289 9.3758 124.3919 55.5073 39.9071 174.5679 74 R 4.5383 7.2847 109.9891 56.4829 31.8837 172.7437 75 G 4.2088 7.5624 105.8922 46.7276 0.0000 173.7050 76 G 3.7550 8.7329 113.6062 46.0094 0.0000 172.9406 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 M 8.15 4.64 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 2 Q 8.17 4.98 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.12 2.50 0.00 3 I 9.43 4.24 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.08 0.76 0.00 0.00 4 F 8.69 5.07 0.00 2.97 2.97 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 5 V 8.97 4.43 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 0.96 0.00 0.00 0.93 0.00 0.00 6 K 9.08 4.66 0.00 1.83 1.50 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.42 7.81 7 T 8.91 4.62 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 1.22 0.00 0.00 8 L 8.12 4.08 0.00 1.74 1.79 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.81 4.09 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 10 G 8.25 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 0.00 0.00 0.00 11 K 7.50 4.69 0.00 1.78 1.63 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.26 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.43 7.81 12 T 8.30 4.98 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 1.29 0.00 0.00 13 I 8.78 4.32 2.00 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 1.69 1.00 0.00 0.00 14 T 8.60 5.05 4.36 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 1.49 0.00 0.00 15 L 9.09 4.85 0.00 1.67 1.70 0.89 0.81 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 16 E 8.70 5.04 0.00 1.85 1.89 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 2.35 2.31 0.00 17 V 8.46 4.36 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 0.61 0.00 0.00 0.91 0.00 0.00 18 E 8.32 4.80 0.00 1.95 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 0.00 2.25 2.26 0.00 19 P 0.00 4.14 0.00 2.14 2.07 0.00 3.55 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 2.08 2.05 0.00 20 S 7.83 4.43 0.00 3.95 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 21 D 8.08 4.47 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.56 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 23 I 8.72 3.65 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.90 0.92 0.00 0.00 24 E 8.14 4.35 0.00 2.21 1.95 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 2.31 2.19 0.00 25 N 7.79 4.39 0.00 2.89 3.14 0.00 0.00 7.47 7.58 0.00 0.00 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 V 8.00 3.54 2.24 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 1.04 0.00 0.00 1.00 0.00 0.00 27 K 8.76 4.53 0.00 1.97 1.88 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.49 7.81 28 A 8.08 4.04 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 29 K 8.12 4.00 0.00 1.99 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 30 I 7.79 3.73 2.15 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 1.62 0.84 0.92 0.00 0.00 31 Q 8.17 4.31 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 32 D 7.84 4.32 0.00 2.72 2.88 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 33 K 7.90 4.29 0.00 1.79 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.72 7.81 34 E 8.93 4.41 0.00 2.00 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 2.23 2.36 0.00 35 G 8.17 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 36 I 7.50 4.29 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 1.42 1.17 0.91 0.00 0.00 37 P 0.00 4.48 0.00 2.18 1.96 0.00 3.71 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 2.11 2.07 0.00 38 P 0.00 4.28 0.00 2.22 2.31 0.00 3.70 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 2.07 1.96 0.00 39 D 8.14 4.33 0.00 2.78 2.71 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 0.00 0.00 0.00 0.00 40 Q 8.06 4.42 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 41 Q 7.88 5.06 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 42 R 9.08 5.03 0.00 1.73 1.77 0.00 3.12 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 43 L 8.28 5.18 0.00 1.69 1.40 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.71 5.00 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 1.08 0.52 0.87 0.00 0.00 45 F 9.04 5.05 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 46 A 9.32 3.28 0.48 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 47 G 8.55 3.77 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 0.00 0.00 0.00 48 K 7.87 4.58 0.00 1.74 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.40 7.81 49 Q 8.42 5.00 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.60 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 50 L 8.60 4.66 0.00 1.35 1.17 0.63 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.84 4.80 0.00 2.06 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 2.32 2.32 0.00 52 D 8.98 4.44 0.00 2.75 2.78 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 53 G 8.06 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 0.00 0.00 0.00 54 R 8.03 4.54 0.00 2.27 1.72 0.00 3.29 0.00 0.00 2.94 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 55 T 7.65 5.13 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 L 8.41 3.99 0.00 1.87 1.65 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.57 4.11 0.00 3.85 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 58 D 7.68 4.10 0.00 2.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.64 4.50 0.00 3.03 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 60 N 8.23 4.27 0.00 2.89 2.95 0.00 0.00 7.12 7.46 0.00 0.00 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 I 7.42 3.69 1.63 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.25 0.62 0.00 0.00 62 Q 7.97 4.72 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.05 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 63 K 8.52 4.08 0.00 1.97 1.78 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.42 7.81 64 E 8.09 3.11 0.00 2.52 2.27 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 2.27 2.38 0.00 65 S 7.04 4.95 0.00 3.75 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 66 T 8.67 5.23 4.42 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 1.38 0.00 0.00 67 L 9.16 5.18 0.00 1.70 1.52 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.36 5.43 0.00 3.26 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.84 5.10 0.00 1.68 1.50 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.68 4.47 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 0.62 0.00 0.00 0.98 0.00 0.00 71 L 8.39 4.82 0.00 1.65 1.56 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.51 4.49 0.00 1.79 1.93 0.00 3.29 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 73 L 9.38 4.03 0.00 1.84 1.88 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.28 4.54 0.00 1.87 1.89 0.00 3.07 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 75 G 7.56 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.73 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 0.00 0.00 0.00