NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2321 0.0000 0.0000 63.4016 32.2920 173.6358 17 S 3.8390 8.8571 115.8727 57.3463 63.4837 170.1764 18 R 4.4348 8.2494 125.4277 55.3940 32.8783 171.6474 19 K 4.7334 8.3042 117.7713 55.3167 33.9837 176.2079 20 A 4.0898 8.3998 120.2076 51.6888 18.9612 177.3936 21 K 4.0740 8.4498 120.8885 56.5012 31.9622 176.5398 22 V 4.7114 7.8382 125.6893 61.0516 35.9768 171.2079 23 K 4.7166 9.3646 132.0444 57.3995 38.5017 177.3626 24 A 4.5875 8.9389 113.6683 51.1007 19.5138 176.6968 25 T 3.8276 7.2310 118.3376 65.7060 69.5222 178.2147 26 L 4.2963 7.8243 126.2706 55.6559 42.9703 177.6691 27 G 3.2376 7.6388 102.7038 46.3726 0.0000 175.1520 28 E 3.5491 7.6409 120.0614 58.5682 29.9078 177.5330 29 F 4.6184 5.9341 113.3117 57.7996 39.8717 173.6647 30 D 4.5814 8.3407 114.9173 54.3530 43.5870 177.5418 31 L 4.4140 8.6858 127.2476 54.3740 41.3780 177.0463 32 R 4.8030 7.8472 118.2149 57.5305 37.0128 174.7531 33 D 4.5760 8.5226 118.0184 54.6311 41.5702 175.1419 34 Y 4.2645 8.7140 123.5986 59.4441 39.1747 176.7486 35 R 4.0890 8.3187 119.0209 58.9257 30.4714 175.9491 36 N 5.1247 7.5558 113.2351 51.9751 39.2540 174.9850 37 V 3.6189 7.6064 117.0150 63.4237 32.1573 173.2998 38 E 4.6529 7.8036 124.7548 55.6615 35.1717 176.8480 39 V 4.0031 7.7858 119.0418 65.2370 31.2406 178.3451 40 L 4.0774 7.8328 117.6313 56.5258 41.7657 177.4462 41 K 4.3092 8.2724 118.3855 58.5378 33.2620 177.3646 42 R 3.8006 7.9763 117.9093 59.9122 30.0700 177.1696 43 F 4.1611 8.1131 116.8989 58.6175 39.4146 175.8645 44 L 4.2815 7.2069 121.8770 53.9017 42.5883 176.4387 45 S 4.2731 8.2961 116.2593 58.6272 63.3305 174.4997 46 E 4.3615 8.5904 120.5163 57.0487 29.1977 175.8840 47 T 4.7125 7.3351 115.5449 61.8226 72.3410 173.8048 48 G 3.7103 8.7389 110.2075 46.4499 0.0000 174.4140 49 K 3.6537 7.9874 119.4161 56.5912 32.1927 176.3819 50 I 3.5798 8.3210 125.0559 61.2289 37.1506 175.7643 51 L 3.8209 8.6524 125.3273 54.8544 41.0097 175.1028 52 P 4.3804 0.0000 0.0000 63.6181 32.1280 176.1181 53 R 5.1253 7.5067 118.3206 58.4543 37.7400 176.7513 54 R 3.9134 8.0851 115.8664 58.4354 29.5164 177.8359 55 R 4.1115 8.7687 125.4560 58.8922 31.1474 178.8092 56 T 3.6733 7.5287 114.4637 64.9141 68.9008 175.0250 57 G 4.3126 8.0286 114.5726 45.8025 0.0000 175.0182 58 L 4.2648 7.1300 120.5838 53.8776 43.4066 178.4614 59 S 4.4350 8.3688 120.7633 58.6294 67.5770 177.8218 60 G 4.1511 8.4732 109.2340 46.0303 0.0000 175.6593 61 K 3.9150 7.8169 121.5162 59.4172 32.2766 177.7197 62 E 4.4065 8.0583 115.6816 56.4038 29.4893 176.6145 63 Q 4.4806 7.8649 121.3463 56.3203 31.2240 177.5400 64 R 3.8982 7.5209 115.5785 59.4071 30.3917 177.7925 65 I 4.0896 7.6011 116.8777 62.8547 38.2623 177.6758 66 L 3.8932 8.1267 121.5919 58.1959 41.5580 178.4134 67 A 3.9594 7.8855 120.4500 55.6065 18.2828 179.8286 68 K 4.0778 8.0827 116.2052 59.4321 31.9606 179.6798 69 T 3.9738 7.9286 115.1358 66.2723 68.6359 175.4696 70 I 4.2986 7.7732 120.6978 62.6467 38.0513 177.8507 71 K 3.9499 8.0610 120.5211 59.2591 31.8582 178.6971 72 R 3.9253 7.9251 118.0484 59.4093 29.7717 178.2916 73 A 4.1509 7.9518 119.1797 56.1401 18.4937 179.1273 74 R 4.7419 8.0908 117.2215 59.3930 29.8542 179.0835 75 I 3.7797 7.6463 121.4058 64.2340 37.6810 177.5037 76 L 4.4157 8.4180 118.8147 54.1597 41.4062 179.2423 77 G 4.0536 8.5912 108.3459 46.1491 0.0000 175.9741 78 L 4.0006 7.7591 120.8058 57.4891 42.5221 176.7909 79 L 4.9381 7.4296 116.9181 52.5471 47.1563 174.5287 80 P 5.0033 0.0000 0.0000 62.8363 29.8842 175.7230 81 F 4.8219 9.2301 113.7329 59.1074 41.0926 173.7648 82 T 4.6243 7.6062 111.0552 61.1256 70.8152 171.9652 83 E 4.7863 8.3967 122.8215 55.0509 31.2623 175.5581 84 K 4.7333 8.3269 119.0071 55.8028 35.7571 175.3151 85 L 4.4988 7.8765 120.6227 54.5574 44.2436 174.6459 86 V 4.3837 7.7050 115.2027 62.6474 34.4761 176.4491 87 R 3.8293 9.0545 122.1323 55.5304 27.8953 176.3688 88 K 4.1242 7.5960 123.9470 56.9352 33.7130 174.5735 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 16 P 0.00 4.23 0.00 2.19 2.11 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 17 S 8.86 3.84 0.00 4.10 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 18 R 8.25 4.43 0.00 1.74 1.68 0.00 3.24 0.00 0.00 3.16 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 19 K 8.30 4.73 0.00 1.71 1.61 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.38 7.81 20 A 8.40 4.09 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 21 K 8.45 4.07 0.00 1.73 1.80 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.52 7.81 22 V 7.84 4.71 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 1.15 0.00 0.00 1.00 0.00 0.00 23 K 9.36 4.72 0.00 1.72 1.29 0.00 1.66 0.00 0.00 2.38 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.32 7.81 24 A 8.94 4.59 1.22 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 0.00 0.00 0.00 25 T 7.23 3.83 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 1.27 0.00 0.00 26 L 7.82 4.30 0.00 1.90 1.82 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.64 3.24 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 0.00 28 E 7.64 3.55 0.00 1.88 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 2.27 2.26 0.00 29 F 5.93 4.62 0.00 3.05 3.15 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 0.00 0.00 0.00 0.00 30 D 8.34 4.58 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.69 4.41 0.00 1.70 1.68 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.85 4.80 0.00 1.76 2.18 0.00 3.35 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 33 D 8.52 4.58 0.00 2.86 2.63 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 0.00 0.00 0.00 0.00 34 Y 8.71 4.26 0.00 2.93 3.04 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 35 R 8.32 4.09 0.00 1.82 2.03 0.00 3.38 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 36 N 7.56 5.12 0.00 2.67 2.76 0.00 0.00 6.97 7.56 0.00 0.00 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 V 7.61 3.62 1.99 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 0.60 0.00 0.00 0.67 0.00 0.00 38 E 7.80 4.65 0.00 2.01 1.70 0.00 0.00 0.00 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 39 V 7.79 4.00 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 0.48 0.00 0.00 0.57 0.00 0.00 40 L 7.83 4.08 0.00 1.50 1.66 0.51 0.69 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 41 K 8.27 4.31 0.00 1.70 1.86 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.38 7.81 42 R 7.98 3.80 0.00 1.99 1.77 0.00 2.21 0.00 0.00 2.39 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 43 F 8.11 4.16 0.00 2.98 3.05 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 44 L 7.21 4.28 0.00 1.66 1.70 0.96 0.90 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 45 S 8.30 4.27 0.00 4.02 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 46 E 8.59 4.36 0.00 1.96 1.99 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 2.27 2.29 0.00 47 T 7.34 4.71 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 1.20 0.00 0.00 48 G 8.74 3.71 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 0.00 0.00 0.00 49 K 7.99 3.65 0.00 1.72 1.77 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 50 I 8.32 3.58 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.38 0.88 0.00 0.00 51 L 8.65 3.82 0.00 1.61 1.66 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.38 0.00 2.03 1.96 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 53 R 7.51 5.13 0.00 1.72 1.86 0.00 3.34 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 54 R 8.09 3.91 0.00 1.95 1.74 0.00 3.24 0.00 0.00 3.33 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 55 R 8.77 4.11 0.00 1.83 1.99 0.00 3.29 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 56 T 7.53 3.67 4.35 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 1.20 0.00 0.00 57 G 8.03 4.31 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 0.00 58 L 7.13 4.26 0.00 1.61 1.52 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.37 4.43 0.00 3.93 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 60 G 8.47 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.82 3.91 0.00 1.62 1.81 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.41 7.81 62 E 8.06 4.41 0.00 1.97 1.92 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 2.29 2.28 0.00 63 Q 7.86 4.48 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 64 R 7.52 3.90 0.00 1.94 2.00 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 65 I 7.60 4.09 1.88 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 1.30 0.86 0.92 0.00 0.00 66 L 8.13 3.89 0.00 1.91 1.76 0.89 1.33 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 67 A 7.89 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.08 0.00 1.86 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 69 T 7.93 3.97 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 70 I 7.77 4.30 1.88 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 1.37 0.90 0.90 0.00 0.00 71 K 8.06 3.95 0.00 2.07 1.84 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 72 R 7.93 3.93 0.00 1.94 1.94 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.07 0.00 73 A 7.95 4.15 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 0.00 0.00 74 R 8.09 4.74 0.00 2.17 2.01 0.00 3.20 0.00 0.00 3.45 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.59 0.00 75 I 7.65 3.78 1.89 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 1.67 0.50 0.92 0.00 0.00 76 L 8.42 4.42 0.00 1.70 1.66 0.81 0.81 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 77 G 8.59 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 78 L 7.76 4.00 0.00 1.72 1.91 1.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.43 4.94 0.00 1.86 1.51 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 5.00 0.00 2.26 1.27 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 81 F 9.23 4.82 0.00 2.86 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 82 T 7.61 4.62 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 1.30 0.00 0.00 83 E 8.40 4.79 0.00 2.08 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 2.24 2.30 0.00 84 K 8.33 4.73 0.00 1.67 1.67 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.45 7.81 85 L 7.88 4.50 0.00 1.52 1.52 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.70 4.38 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 0.96 0.00 0.00 0.93 0.00 0.00 87 R 9.05 3.83 0.00 2.01 2.05 0.00 3.57 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 88 K 7.60 4.12 0.00 1.87 1.73 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81