NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4815 8.3049 120.3262 55.0474 33.4371 174.4958 2 K 4.5381 8.4536 121.2532 54.0765 35.2848 174.0051 3 I 4.5911 7.8396 122.2805 59.2922 40.8113 176.0285 4 S 4.1616 8.8267 119.6121 60.8310 63.2538 174.8727 5 G 3.7422 8.1274 109.6369 46.0514 0.0000 173.3397 6 R 3.9663 8.6211 124.6678 58.2085 30.7512 176.2144 7 N 4.7617 8.1450 116.2189 51.9404 39.6899 174.4322 8 K 4.8815 8.5893 123.9382 54.4854 34.4311 175.9197 9 L 4.2193 8.7007 126.1874 52.5445 43.8795 176.0887 10 E 4.5953 8.9298 124.6106 56.2926 29.8107 175.7655 11 A 5.1399 9.0773 127.0880 50.2322 23.4261 174.0980 12 T 5.0101 8.5602 113.8133 61.7182 72.2710 174.4221 13 V 3.9340 8.8764 126.9876 63.2661 32.0706 176.2206 14 K 4.3695 9.2710 127.4307 57.8387 33.8286 176.4357 15 E 4.7756 7.8135 118.3928 54.8494 33.4207 173.8845 16 I 5.0259 8.3003 125.0090 59.5562 40.6326 174.7283 17 V 4.3586 8.8300 127.4901 61.0064 33.8205 174.1405 18 K 4.7444 8.8233 127.4454 54.9483 33.8666 176.3503 19 G 4.3419 8.4879 115.6458 44.4891 0.0000 172.9098 20 T 4.0616 8.5515 114.9274 65.8660 69.0643 175.1445 21 V 4.2625 7.8994 118.7378 64.0768 34.3566 175.5378 22 M 5.1720 7.9923 118.0972 53.6091 35.2597 174.7604 23 A 5.1138 9.0985 121.7631 50.1130 22.9633 174.9509 24 K 4.6992 9.1656 123.4509 55.2713 34.1012 175.3095 25 I 4.6812 8.8427 129.3490 59.7597 39.2745 174.6876 26 V 4.5518 8.7869 128.9153 61.9866 32.9883 174.8133 27 M 5.3290 9.2491 126.8423 53.6189 36.7374 173.5297 28 D 5.2268 9.0775 120.7581 53.0249 43.9044 174.6352 29 Y 5.1345 8.9785 126.8652 55.6428 40.5201 175.0345 30 K 3.8548 9.7122 128.9008 56.9700 29.8612 176.6821 31 G 3.9634 8.5181 106.8721 45.3107 0.0000 174.0324 32 T 4.5107 7.6546 117.1591 61.6568 70.1819 173.2393 33 E 4.7796 8.6676 127.1655 55.9429 30.5617 175.4936 34 L 4.9482 9.1709 126.4186 52.9779 45.5050 175.6306 35 V 4.8709 8.2827 120.0717 61.3050 34.1968 174.2833 36 A 4.8784 9.0925 129.4072 49.9738 22.2358 174.8188 37 A 5.2125 8.6287 122.5218 50.3066 21.0675 175.3556 38 I 4.7651 8.3552 115.1691 59.4107 42.0132 175.1611 39 T 4.5711 8.2862 111.7654 60.9564 69.8040 175.7932 40 I 3.7528 8.5317 117.9025 64.3632 37.3337 178.3501 41 D 4.4204 8.0717 120.1052 57.1268 40.5650 178.6087 42 S 4.1121 7.9383 115.7808 61.3223 62.7877 176.7378 43 V 3.5453 7.6171 120.4546 65.8408 31.0348 178.0235 44 A 3.9481 7.8272 118.9329 55.1135 18.4327 178.5457 45 D 4.4152 8.0906 115.5708 57.6061 41.4804 178.1790 46 L 4.1009 8.0785 116.9542 54.6879 42.5088 176.0916 47 D 4.3798 7.7907 117.5449 55.0082 39.9951 173.7729 48 L 4.4344 7.6907 117.2905 54.9199 42.9512 177.5447 49 V 4.5558 8.8397 114.9063 58.6072 35.7613 173.3025 50 P 4.4520 0.0000 0.0000 64.6425 31.5198 176.9398 51 G 4.0305 9.0415 111.7748 45.1310 0.0000 173.7335 52 D 4.5528 7.9419 119.9288 54.3958 42.1335 175.6033 53 K 4.8202 8.4991 121.4213 55.8304 33.2829 176.4431 54 V 4.5800 8.7998 117.1620 60.0196 36.8691 174.4217 55 T 4.9514 8.3226 117.7594 61.7705 70.2121 174.3304 56 A 4.2152 8.8266 130.1207 51.4422 19.8150 175.7185 57 L 5.1940 8.4076 123.6381 53.1655 45.1316 175.7394 58 V 4.4526 8.5883 125.1415 60.6763 35.0067 174.6770 59 K 4.2622 8.7227 128.6525 55.9657 32.9849 177.1852 60 A 3.9981 8.8141 128.8058 55.6615 18.3542 179.3076 61 T 4.1481 7.8690 103.1135 63.2857 69.1265 174.7042 62 E 4.4950 8.2975 121.3732 56.1453 29.9068 174.8137 63 M 4.4769 7.6793 119.7354 53.7988 33.3511 175.5209 64 E 4.5100 8.5420 125.5555 55.1488 31.4202 175.4044 65 V 4.4546 8.0502 119.1196 61.0123 34.0405 174.6181 66 L 4.8449 8.2921 125.7086 53.0289 44.4524 176.3855 67 K 4.0920 8.3550 121.9861 56.9561 32.0721 175.3875 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 8.30 4.48 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 K 8.45 4.54 0.00 1.78 1.67 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.52 7.81 3 I 7.84 4.59 1.86 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 1.46 0.61 0.92 0.00 0.00 4 S 8.83 4.16 0.00 3.97 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 5 G 8.13 3.74 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 0.00 0.00 0.00 6 R 8.62 3.97 0.00 1.81 2.00 0.00 3.36 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 7 N 8.14 4.76 0.00 2.81 2.75 0.00 0.00 6.69 7.69 0.00 0.00 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 K 8.59 4.88 0.00 1.58 1.69 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.46 7.81 9 L 8.70 4.22 0.00 0.83 0.13 0.74 0.68 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 10 E 8.93 4.60 0.00 1.96 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 2.32 2.34 0.00 11 A 9.08 5.14 1.21 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 12 T 8.56 5.01 4.27 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 1.27 0.00 0.00 13 V 8.88 3.93 2.22 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 0.87 0.00 0.00 0.97 0.00 0.00 14 K 9.27 4.37 0.00 1.70 1.83 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.34 7.81 15 E 7.81 4.78 0.00 2.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 16 I 8.30 5.03 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 1.23 0.79 0.91 0.00 0.00 17 V 8.83 4.36 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 0.94 0.00 0.00 0.93 0.00 0.00 18 K 8.82 4.74 0.00 1.66 1.70 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 19 G 8.49 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 0.00 0.00 0.00 0.00 20 T 8.55 4.06 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 21 V 7.90 4.26 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 1.10 0.00 0.00 0.93 0.00 0.00 22 M 7.99 5.17 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 23 A 9.10 5.11 1.17 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 0.00 0.00 24 K 9.17 4.70 0.00 1.80 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 25 I 8.84 4.68 1.86 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 0.81 0.90 0.00 0.00 26 V 8.79 4.55 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 27 M 9.25 5.33 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 28 D 9.08 5.23 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.98 5.13 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 9.71 3.85 0.00 1.50 1.66 0.00 1.26 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.18 7.81 31 G 8.52 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.65 4.51 4.39 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 1.25 0.00 0.00 33 E 8.67 4.78 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 34 L 9.17 4.95 0.00 1.56 1.51 0.79 0.67 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 35 V 8.28 4.87 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 0.79 0.00 0.00 0.94 0.00 0.00 36 A 9.09 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.63 5.21 1.21 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 38 I 8.36 4.77 1.86 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 1.28 0.84 0.90 0.00 0.00 39 T 8.29 4.57 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 40 I 8.53 3.75 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 1.69 0.60 1.02 0.00 0.00 41 D 8.07 4.42 0.00 2.70 2.75 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 0.00 0.00 0.00 42 S 7.94 4.11 0.00 4.07 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.62 3.55 2.23 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 1.01 0.00 0.00 0.93 0.00 0.00 44 A 7.83 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.09 4.42 0.00 2.75 2.83 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 0.00 0.00 0.00 0.00 46 L 8.08 4.10 0.00 1.77 1.70 0.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.79 4.38 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 4.43 0.00 1.67 1.58 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.84 4.56 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 0.82 0.00 0.00 1.05 0.00 0.00 50 P 0.00 4.45 0.00 2.04 2.16 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 51 G 9.04 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 52 D 7.94 4.55 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.50 4.82 0.00 1.64 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.42 7.81 54 V 8.80 4.58 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 0.73 0.00 0.00 0.91 0.00 0.00 55 T 8.32 4.95 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 1.16 0.00 0.00 56 A 8.83 4.22 1.09 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 0.00 0.00 57 L 8.41 5.19 0.00 1.56 1.48 1.01 0.86 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 58 V 8.59 4.45 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 0.88 0.00 0.00 0.90 0.00 0.00 59 K 8.72 4.26 0.00 1.82 1.73 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 60 A 8.81 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 4.15 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 62 E 8.30 4.49 0.00 2.06 1.97 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 2.24 2.20 0.00 63 M 7.68 4.48 0.00 1.90 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 2.52 2.48 0.00 64 E 8.54 4.51 0.00 2.00 1.87 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 2.26 2.28 0.00 65 V 8.05 4.45 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 0.85 0.00 0.00 0.94 0.00 0.00 66 L 8.29 4.84 0.00 1.62 1.52 0.93 0.83 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 67 K 8.36 4.09 0.00 1.66 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.43 7.81