NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 Y 4.7696 7.9876 121.6972 57.7236 41.0421 176.7372 18 N 3.4641 8.3492 117.6407 55.2365 36.5020 175.0760 19 W 3.8836 8.4857 130.2151 59.6763 31.0895 179.2091 20 V 3.4260 7.8508 118.4718 66.0201 31.1448 177.6596 21 A 3.9358 7.2397 119.9027 55.5080 18.1014 178.9240 22 C 4.1387 7.5014 115.1741 59.7897 34.4167 176.5771 23 G 3.4897 7.8029 107.3179 47.9001 0.0000 175.6090 24 I 3.6781 7.7097 122.3801 63.9157 37.1095 177.9769 25 L 3.8876 7.7068 120.6764 58.2779 42.0437 178.7294 26 E 4.0324 8.2238 119.2321 59.3504 29.4681 178.5034 27 G 3.6768 8.0839 106.1644 47.0070 0.0000 175.4989 28 G 3.9085 8.1250 107.6791 47.4251 0.0000 175.3594 29 L 3.9674 7.8809 121.6743 57.2807 41.6794 179.5953 30 K 4.0200 8.0526 118.7241 58.9227 31.9375 178.4214 31 A 4.1861 8.3545 119.9569 53.5937 18.5883 178.2055 32 A 4.4695 8.0337 117.7576 51.0288 19.3004 177.2841 33 G 3.9074 7.6556 105.0729 46.7536 0.0000 175.3365 34 V 4.1495 7.7784 113.0324 60.5486 33.0509 175.7567 35 L 4.6283 7.8005 121.9343 52.8863 43.3871 174.9206 36 E 4.7705 8.3099 122.6908 53.6702 32.7050 175.0811 37 E 3.8729 8.7114 120.5229 57.5637 30.3416 176.6342 38 G 3.7893 8.3617 111.8166 46.6662 0.0000 172.4656 39 Q 4.4065 7.4771 119.3597 54.7321 31.5912 172.8856 40 Y 5.1497 7.7182 115.5525 55.3948 42.5668 176.4067 41 N 4.3458 8.9591 120.9040 57.0187 39.1787 177.7624 42 R 3.9031 7.9720 118.7749 59.3898 30.3816 178.4728 43 E 3.9959 8.3246 117.8689 59.5407 29.4441 179.2541 44 L 3.9663 8.5245 120.3133 58.0351 42.3268 178.5839 45 A 4.1328 7.8741 120.4075 55.5004 18.2246 179.5315 46 E 3.9328 8.1660 116.2834 59.3915 29.6274 179.4642 47 A 4.0355 7.5616 120.2381 55.1802 18.2284 179.7613 48 I 3.6655 7.7512 117.2624 64.2732 37.5074 178.3295 49 A 4.0808 7.9315 120.9639 55.0496 18.2980 179.1740 50 A 3.9445 8.3195 119.8287 55.6604 18.1699 179.8807 51 K 3.9864 7.7658 114.9068 59.5355 32.2567 179.0912 52 G 4.0544 7.8482 103.0436 45.0229 0.0000 175.1621 53 E 4.4809 7.9684 122.0700 56.7469 27.9230 175.2814 54 G 4.4189 8.5488 112.6228 42.7421 0.0000 170.4985 55 F 4.1652 9.1207 116.3069 60.6995 38.8082 177.7854 56 W 4.7498 8.6329 118.4509 60.1013 28.7726 178.4758 57 T 4.2470 8.1696 108.3924 64.7094 68.5474 176.4919 58 T 3.9785 7.8339 118.0924 66.6818 68.6019 175.8422 59 Q 3.8125 7.4698 118.5525 57.7054 29.1344 175.8541 60 F 4.7368 7.0304 117.7943 55.4576 40.3923 175.5364 61 P 4.4133 0.0000 0.0000 65.5804 31.2992 178.9057 62 Q 4.0808 8.1249 116.6882 58.9000 28.6029 178.6212 63 I 3.9132 7.8750 120.5638 64.4325 36.8211 178.4465 64 G 3.7729 7.9305 105.3159 47.8891 0.0000 174.9563 65 D 4.6057 8.1297 120.0124 55.5046 41.1713 178.8138 66 W 4.1629 8.0920 129.1983 60.2905 30.7283 177.1909 67 N 3.9481 8.8017 117.4433 57.0038 38.2985 176.3513 68 E 3.9259 7.8262 118.9686 59.6271 29.4842 179.2273 69 D 4.2536 7.5994 117.2968 57.4994 40.9112 178.9422 70 Q 3.7111 7.4857 117.9733 58.7185 28.7230 178.5850 71 A 3.9413 8.1853 121.9992 55.1718 17.9978 179.5885 72 A 3.9467 8.1769 119.2360 54.8831 18.3531 179.8497 73 A 3.8801 8.1875 119.9053 55.2175 18.4953 179.6611 74 L 3.8280 8.3818 119.0576 58.2255 41.9729 179.0187 75 A 4.0462 7.6699 119.1716 54.8325 18.4796 179.2674 76 D 4.3880 7.6386 117.3779 57.7754 40.8791 178.9193 77 R 3.8665 7.7477 117.9768 59.1601 29.9119 178.8929 78 A 3.8878 7.9035 120.5643 55.2151 18.3911 179.5276 79 Q 3.9970 8.0357 118.2040 59.5356 29.0076 178.3892 80 T 3.9528 7.7703 107.9173 64.0696 69.0332 175.3686 81 C 3.9277 7.6032 118.4054 56.2506 40.4059 173.6648 82 G 3.8768 7.7357 107.7205 46.7256 0.0000 175.0003 83 L 4.3352 7.9423 121.3130 55.3227 42.5948 177.0482 84 V 4.6127 7.1981 109.1484 59.5505 36.1111 175.0656 85 K 4.4876 8.2453 120.9984 54.8568 34.1370 176.3985 86 A 4.4289 8.6389 124.0354 52.4419 18.9449 177.5263 87 D 4.4801 8.6941 120.2593 53.6206 39.7775 176.2798 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 17 Y 7.99 4.77 0.00 3.08 3.08 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 0.00 0.00 0.00 18 N 8.35 3.46 0.00 3.06 3.16 0.00 0.00 5.85 8.00 0.00 0.00 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 W 8.49 3.88 0.00 3.35 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 20 V 7.85 3.43 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 0.99 0.00 0.00 1.00 0.00 0.00 21 A 7.24 3.94 1.16 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 0.00 0.00 22 C 7.50 4.14 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.80 3.49 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 0.00 0.00 0.00 24 I 7.71 3.68 1.97 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 1.53 0.78 0.90 0.00 0.00 25 L 7.71 3.89 0.00 1.71 1.77 0.87 0.66 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 26 E 8.22 4.03 0.00 2.01 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 2.27 2.28 0.00 27 G 8.08 3.68 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 0.00 0.00 0.00 28 G 8.12 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 29 L 7.88 3.97 0.00 1.68 1.70 0.87 0.65 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 30 K 8.05 4.02 0.00 2.11 1.78 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.58 7.81 31 A 8.35 4.19 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 32 A 8.03 4.47 1.34 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 33 G 7.66 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 34 V 7.78 4.15 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 0.77 0.00 0.00 0.95 0.00 0.00 35 L 7.80 4.63 0.00 1.53 1.62 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.31 4.77 0.00 2.05 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 2.29 2.24 0.00 37 E 8.71 3.87 0.00 1.91 1.88 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 2.27 2.35 0.00 38 G 8.36 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.48 4.41 0.00 2.32 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 40 Y 7.72 5.15 0.00 3.01 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 41 N 8.96 4.35 0.00 2.91 2.95 0.00 0.00 7.41 7.24 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 42 R 7.97 3.90 0.00 1.88 1.95 0.00 3.17 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 43 E 8.32 4.00 0.00 2.29 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 0.00 2.45 2.44 0.00 44 L 8.52 3.97 0.00 1.71 1.65 0.94 0.91 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 45 A 7.87 4.13 1.39 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 0.00 0.00 0.00 46 E 8.17 3.93 0.00 2.06 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 0.00 2.32 2.53 0.00 47 A 7.56 4.04 1.40 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 48 I 7.75 3.67 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 0.87 0.00 0.00 49 A 7.93 4.08 1.40 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 50 A 8.32 3.94 1.40 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 51 K 7.77 3.99 0.00 1.94 1.92 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.29 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.62 7.81 52 G 7.85 4.05 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 0.00 53 E 7.97 4.48 0.00 2.20 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 0.00 2.32 2.38 0.00 54 G 8.55 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 0.00 0.00 0.00 0.00 55 F 9.12 4.17 0.00 3.19 3.35 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 56 W 8.63 4.75 0.00 3.42 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 57 T 8.17 4.25 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 1.46 0.00 0.00 58 T 7.83 3.98 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 1.14 0.00 0.00 59 Q 7.47 3.81 0.00 1.71 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 60 F 7.03 4.74 0.00 3.20 2.86 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 0.00 0.00 0.00 61 P 0.00 4.41 0.00 2.19 2.11 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 62 Q 8.12 4.08 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 63 I 7.87 3.91 1.99 0.00 0.00 0.53 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 0.58 1.10 0.00 0.00 64 G 7.93 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 65 D 8.13 4.61 0.00 2.80 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 66 W 8.09 4.16 0.00 3.50 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.80 3.95 0.00 3.10 3.16 0.00 0.00 7.27 7.42 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 68 E 7.83 3.93 0.00 2.06 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 2.33 2.65 0.00 69 D 7.60 4.25 0.00 2.80 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 70 Q 7.49 3.71 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.20 1.16 0.00 71 A 8.19 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.18 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 73 A 8.19 3.88 1.30 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 0.00 0.00 74 L 8.38 3.83 0.00 1.78 1.61 0.88 1.17 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 75 A 7.67 4.05 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 76 D 7.64 4.39 0.00 2.99 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 77 R 7.75 3.87 0.00 1.89 1.92 0.00 3.09 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 78 A 7.90 3.89 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 79 Q 8.04 4.00 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 80 T 7.77 3.95 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 1.22 0.00 0.00 81 C 7.60 3.93 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.74 3.88 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 0.00 0.00 0.00 83 L 7.94 4.34 0.00 1.63 1.65 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.20 4.61 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 0.64 0.00 0.00 0.90 0.00 0.00 85 K 8.25 4.49 0.00 1.04 1.64 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.28 1.12 7.81 86 A 8.64 4.43 1.28 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 87 D 8.69 4.48 0.00 2.80 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