NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 P 4.4799 0.0000 0.0000 62.1765 32.9671 176.8129 24 F 3.9813 8.9279 121.6170 60.7091 38.9973 172.1692 25 V 3.7068 8.8519 118.9177 66.4314 31.6694 177.5345 26 Q 3.8299 7.9425 117.0049 58.5905 28.4452 178.1853 27 L 3.8231 7.6166 120.7299 58.0026 42.4955 178.7351 28 F 4.0512 7.9503 115.0654 59.6985 37.6879 177.1713 29 L 2.6168 6.1292 120.8799 57.2130 41.5853 178.4297 30 E 3.7592 7.7281 119.1760 59.2778 29.1688 178.6064 31 E 3.8783 7.6548 117.8741 59.4095 29.5065 178.9377 32 I 3.7821 7.4130 119.4374 62.7692 37.2071 177.2616 33 G 3.9280 8.6098 107.0084 44.8963 0.0000 172.6700 34 C 4.6641 7.7946 119.6744 57.4811 33.5018 174.3266 35 T 4.0928 8.3820 117.8957 63.5549 69.3985 176.1543 36 Q 3.8699 8.1026 123.4564 59.8250 28.7453 178.0500 37 Y 4.5809 7.1024 117.4171 60.2715 37.8703 178.0554 38 L 3.9973 8.4638 121.9251 58.4697 42.0996 178.8389 39 D 4.4476 8.0131 118.2513 57.4609 40.7035 178.8267 40 S 4.3330 8.1350 117.0410 61.1432 62.8905 176.8416 41 F 3.9279 8.5606 119.9248 60.5709 38.7708 177.5772 42 I 3.8247 7.8254 119.0655 64.3569 36.6181 178.0766 43 Q 3.9980 7.8765 119.7536 59.2196 28.9707 177.6314 44 C 4.2887 7.7551 114.3668 58.8341 29.2532 172.7070 45 N 4.1192 7.8980 118.1981 54.2872 37.2636 173.7487 46 L 4.5495 7.9240 118.5564 53.8579 43.3698 175.5578 47 V 4.4140 8.2943 123.5676 62.6497 33.6729 175.2662 48 T 4.2304 7.7352 117.1163 63.4129 69.3320 175.4420 49 E 3.8937 8.7119 125.9585 59.2683 29.9380 178.8859 50 E 3.7772 7.9720 118.8285 59.2294 29.6659 178.5350 51 E 4.0627 7.7959 117.8626 59.1744 29.4374 179.1371 52 I 3.8933 7.4777 119.7375 64.7155 36.9903 178.4869 53 K 4.0406 7.5999 117.6851 59.4884 31.9419 178.5049 54 Y 4.1168 7.9056 118.5601 58.6415 38.9232 176.0982 55 L 4.0857 7.4252 120.5909 54.9399 42.3339 176.9341 56 D 4.7879 8.1808 122.8783 52.5124 43.9318 177.6098 57 K 3.8643 8.4773 120.6824 60.0283 32.3083 179.0032 58 D 4.4797 7.9697 118.3930 57.4751 40.8511 178.7113 59 I 3.7137 7.5828 119.7841 64.3218 37.1573 178.2152 60 L 4.0003 8.2394 120.2126 57.7338 41.1540 179.5845 61 I 3.6650 7.2809 118.2988 64.5027 37.1732 178.0991 62 A 4.1087 7.7904 119.6238 54.8513 18.5226 178.8230 63 L 3.9508 8.2929 119.6239 57.5752 42.4059 177.3237 64 G 4.1692 7.5620 107.8854 46.4676 0.0000 173.8648 65 V 4.6893 7.7765 117.5990 61.1648 33.5718 174.6159 66 N 4.8354 9.1772 122.8857 53.0135 39.3664 174.6651 67 K 4.6260 7.5264 118.4818 54.2508 34.5545 177.0751 68 I 3.6210 8.5139 124.5517 63.8013 38.5857 178.0676 69 G 3.6488 8.2027 109.2327 48.6377 0.0000 175.1580 70 D 4.2577 7.7165 120.0695 56.9935 40.6272 178.9565 71 R 3.8522 7.5340 118.7624 59.4033 29.9947 179.0453 72 L 4.0359 7.7446 118.3412 57.6370 41.6001 179.6923 73 K 3.9793 7.8651 117.9986 59.4719 31.9988 179.2140 74 I 3.9729 7.9802 120.1541 64.5017 36.9484 178.5410 75 L 4.0453 7.8369 119.2603 57.8461 41.2428 179.8780 76 R 3.9583 8.0400 116.9254 59.3268 30.3612 178.9789 77 K 4.2648 8.7419 118.6430 59.6149 31.9953 179.5264 78 S 4.0960 8.4896 115.6115 61.6208 62.7147 176.8837 79 K 4.0248 8.0411 121.2661 59.4009 31.5354 179.3810 80 S 4.2369 7.9425 113.8044 61.1939 62.7530 175.8567 81 F 3.8848 8.1338 124.0065 60.8715 39.0776 174.7651 82 Q 4.1425 8.0697 120.7951 55.9759 28.7036 175.3032 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 23 P 0.00 4.48 0.00 2.31 2.30 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 24 F 8.93 3.98 0.00 3.44 3.36 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 0.00 25 V 8.85 3.71 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 0.99 0.00 0.00 1.06 0.00 0.00 26 Q 7.94 3.83 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 27 L 7.62 3.82 0.00 1.61 1.55 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.95 4.05 0.00 2.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.13 2.62 0.00 0.68 1.16 0.67 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.73 3.76 0.00 2.09 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 2.29 0.00 31 E 7.65 3.88 0.00 2.04 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 2.52 0.00 32 I 7.41 3.78 1.94 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.31 0.90 0.00 0.00 33 G 8.61 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 34 C 7.79 4.66 0.00 2.97 2.93 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 35 T 8.38 4.09 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 1.16 0.00 0.00 36 Q 8.10 3.87 0.00 1.90 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 37 Y 7.10 4.58 0.00 3.20 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 38 L 8.46 4.00 0.00 1.59 1.76 0.86 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.01 4.45 0.00 2.97 2.72 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 0.00 0.00 0.00 40 S 8.14 4.33 0.00 4.25 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 41 F 8.56 3.93 0.00 3.35 3.25 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 42 I 7.83 3.82 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.23 0.95 0.00 0.00 43 Q 7.88 4.00 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 44 C 7.76 4.29 0.00 2.92 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.90 4.12 0.00 2.87 2.87 0.00 0.00 7.05 7.11 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 46 L 7.92 4.55 0.00 1.68 1.81 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.29 4.41 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 0.90 0.00 0.00 0.97 0.00 0.00 48 T 7.74 4.23 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 1.21 0.00 0.00 49 E 8.71 3.89 0.00 1.53 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 50 E 7.97 3.78 0.00 1.91 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 2.35 2.35 0.00 51 E 7.80 4.06 0.00 2.35 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 2.27 2.45 0.00 52 I 7.48 3.89 1.85 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 1.73 1.19 0.81 0.00 0.00 53 K 7.60 4.04 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.37 7.81 54 Y 7.91 4.12 0.00 2.98 3.30 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 0.00 55 L 7.43 4.09 0.00 1.84 1.58 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.18 4.79 0.00 2.56 2.47 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 57 K 8.48 3.86 0.00 1.69 1.87 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.52 7.81 58 D 7.97 4.48 0.00 2.65 2.69 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 0.00 0.00 0.00 0.00 59 I 7.58 3.71 2.03 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.51 0.88 0.00 0.00 60 L 8.24 4.00 0.00 1.81 1.69 0.92 0.74 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 61 I 7.28 3.67 2.04 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 1.45 0.70 0.91 0.00 0.00 62 A 7.79 4.11 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 63 L 8.29 3.95 0.00 1.60 1.70 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.56 4.17 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 0.00 65 V 7.78 4.69 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 0.72 0.00 0.00 1.02 0.00 0.00 66 N 9.18 4.84 0.00 2.81 2.87 0.00 0.00 6.91 7.63 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 67 K 7.53 4.63 0.00 2.07 1.74 0.00 2.11 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.52 7.81 68 I 8.51 3.62 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 1.34 1.34 0.91 0.00 0.00 69 G 8.20 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 70 D 7.72 4.26 0.00 2.56 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 0.00 0.00 0.00 0.00 71 R 7.53 3.85 0.00 1.96 1.96 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 72 L 7.74 4.04 0.00 1.79 1.72 0.92 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.87 3.98 0.00 1.92 1.84 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.71 7.81 74 I 7.98 3.97 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 1.34 0.00 0.00 75 L 7.84 4.05 0.00 1.84 1.73 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.04 3.96 0.00 1.82 2.03 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 77 K 8.74 4.26 0.00 2.14 2.20 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.75 7.81 78 S 8.49 4.10 0.00 4.01 3.83 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 79 K 8.04 4.02 0.00 1.99 1.90 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.74 7.81 80 S 7.94 4.24 0.00 4.12 4.11 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 81 F 8.13 3.88 0.00 2.89 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 82 Q 8.07 4.14 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.35 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00