NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.3033 8.0093 121.4633 61.2588 37.6114 174.2806 4 K 4.3245 8.5407 125.0281 54.1651 34.2317 171.2452 5 V 4.0701 8.2953 121.0754 61.3549 34.3192 176.0381 6 R 4.3550 8.3499 127.3334 54.4872 30.7607 172.8577 7 E 4.5613 8.4200 123.5964 54.0439 30.7931 176.1639 8 N 4.1446 8.5785 122.4636 54.0410 39.6760 170.4776 9 E 3.3496 8.5345 129.2878 54.3112 28.2622 172.1291 10 P 3.9390 0.0000 0.0000 63.0830 31.3067 176.8049 11 F 4.6744 8.3874 117.2308 58.3042 39.0205 175.9917 12 D 4.2340 7.3003 117.5997 55.3089 37.2057 173.8291 13 V 4.2254 7.5732 123.2366 60.2427 33.1695 176.0359 14 A 3.9507 8.9402 128.4948 55.0343 19.0440 177.0935 15 L 3.5082 7.7594 114.3371 56.6396 39.9784 174.9348 16 R 4.3990 7.5216 115.6832 56.7869 30.4101 178.3833 17 R 4.0043 7.4437 119.0398 59.3794 30.3203 178.5259 18 F 4.2545 8.4344 117.0204 60.7302 38.7991 177.4511 19 K 3.9840 8.2405 116.4288 59.2201 31.9935 177.7715 20 R 4.5525 7.7437 115.9521 56.6709 30.3550 176.9879 21 S 4.6038 7.6401 112.4961 58.1107 63.4873 172.4650 22 C 4.6337 7.0054 118.4444 59.4056 36.3572 178.7385 23 E 4.2350 7.9142 125.3466 55.3622 30.4973 176.8484 24 K 3.3909 8.7438 121.4687 57.7172 31.6977 175.2514 25 A 4.2712 8.5099 120.1369 53.3770 18.8700 176.0411 26 G 4.2600 8.9905 107.5463 45.6363 0.0000 175.5176 27 V 4.0774 7.4952 117.1354 63.7536 32.1255 177.8952 28 L 4.0080 7.6941 118.0361 57.4569 41.8129 178.7311 29 A 3.9759 7.9846 118.5439 55.1653 18.2897 178.8003 30 E 4.0719 8.1888 116.7899 58.5574 29.9289 177.9229 31 V 4.1291 6.9046 116.0145 63.2978 32.1912 176.6837 32 R 3.7477 7.9443 116.8127 62.5773 30.1723 178.9902 33 R 4.2037 7.6697 120.4764 55.1948 32.2407 175.6967 34 R 4.1738 8.2909 115.9819 56.8981 31.0967 176.9810 35 E 4.1463 8.6391 122.1266 56.5846 27.7576 176.7657 36 F 4.1251 7.6436 131.7621 58.5051 47.6332 175.6907 37 Y 3.9066 8.0788 119.2316 58.5351 35.4712 170.0757 38 E 4.4232 9.0581 125.1857 58.3826 31.9817 179.5205 39 K 3.9744 8.1100 119.7764 58.7541 32.7103 177.4760 40 P 3.6832 0.0000 0.0000 65.8562 31.4028 178.3018 41 T 4.0054 7.2616 113.7659 64.8604 67.8937 173.8460 42 T 4.4155 6.9732 109.1876 60.9333 71.5402 175.4076 43 E 3.7537 8.3949 125.6829 58.7145 30.3112 179.7910 44 R 4.0151 7.6855 117.2042 59.0710 30.2844 178.6442 45 K 4.1976 7.7670 116.3841 58.0908 31.9114 178.3120 46 R 4.2769 8.3227 117.7170 56.8664 30.3265 177.3424 47 A 4.3162 7.9565 122.4211 54.0160 18.9626 179.8785 48 K 3.6029 7.8250 117.3126 59.9506 32.4671 179.1705 49 A 3.9828 8.0073 120.3173 53.9387 18.5334 178.3421 50 S 4.4170 7.6860 110.6172 60.3212 63.2291 175.6191 51 A 4.0322 8.5084 123.2315 55.0257 18.0433 178.9371 52 V 3.6639 7.8055 116.6336 64.2667 31.5549 176.2131 53 K 3.9727 7.8022 125.0650 56.7510 32.9838 173.9855 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 3 I 8.01 4.30 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.12 1.21 0.00 0.00 4 K 8.54 4.32 0.00 1.95 1.83 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.55 7.81 5 V 8.30 4.07 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 0.76 0.00 0.00 0.71 0.00 0.00 6 R 8.35 4.36 0.00 1.73 1.77 0.00 3.26 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 7 E 8.42 4.56 0.00 2.21 2.32 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 2.31 2.30 0.00 8 N 8.58 4.14 0.00 2.64 2.72 0.00 0.00 7.20 7.65 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 9 E 8.53 3.35 0.00 2.04 1.82 0.00 0.00 0.00 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 2.20 0.00 10 P 0.00 3.94 0.00 2.10 1.93 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 11 F 8.39 4.67 0.00 2.97 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.30 4.23 0.00 2.91 3.17 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 13 V 7.57 4.23 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 0.59 0.00 0.00 0.83 0.00 0.00 14 A 8.94 3.95 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 15 L 7.76 3.51 0.00 1.92 1.59 0.83 0.89 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 16 R 7.52 4.40 0.00 1.95 1.95 0.00 3.25 0.00 0.00 3.35 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 17 R 7.44 4.00 0.00 2.03 2.09 0.00 3.35 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 18 F 8.43 4.25 0.00 2.99 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 3.98 0.00 1.76 1.93 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.67 7.81 20 R 7.74 4.55 0.00 2.10 1.96 0.00 3.12 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 21 S 7.64 4.60 0.00 3.73 3.95 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 0.00 0.00 0.00 22 C 7.01 4.63 0.00 3.00 2.76 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 23 E 7.91 4.24 0.00 1.98 1.93 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 2.29 2.24 0.00 24 K 8.74 3.39 0.00 1.93 1.76 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.38 7.81 25 A 8.51 4.27 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.50 4.08 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 1.05 0.00 0.00 0.98 0.00 0.00 28 L 7.69 4.01 0.00 1.73 1.68 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.98 3.98 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 30 E 8.19 4.07 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 31 V 6.90 4.13 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 0.88 0.00 0.00 1.00 0.00 0.00 32 R 7.94 3.75 0.00 1.93 1.86 0.00 3.29 0.00 0.00 3.21 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 33 R 7.67 4.20 0.00 1.74 1.78 0.00 3.24 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 34 R 8.29 4.17 0.00 1.90 1.98 0.00 2.90 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 35 E 8.64 4.15 0.00 1.33 1.12 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 0.00 2.33 2.40 0.00 36 F 7.64 4.13 0.00 2.92 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 37 Y 8.08 3.91 0.00 3.24 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 38 E 9.06 4.42 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 39 K 8.11 3.97 0.00 2.33 2.33 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.50 7.81 40 P 0.00 3.68 0.00 1.93 1.60 0.00 3.83 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 2.08 1.98 0.00 41 T 7.26 4.01 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 1.20 0.00 0.00 42 T 6.97 4.42 4.25 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 1.22 0.00 0.00 43 E 8.39 3.75 0.00 2.02 2.31 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 2.48 2.48 0.00 44 R 7.69 4.02 0.00 2.09 1.81 0.00 2.69 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 45 K 7.77 4.20 0.00 1.95 1.82 0.00 1.92 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.47 7.81 46 R 8.32 4.28 0.00 1.93 1.96 0.00 3.16 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 47 A 7.96 4.32 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 48 K 7.82 3.60 0.00 2.01 2.06 0.00 1.20 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.59 7.81 49 A 8.01 3.98 1.36 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 0.00 0.00 50 S 7.69 4.42 0.00 3.88 4.04 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 51 A 8.51 4.03 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 52 V 7.81 3.66 2.17 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 0.72 0.00 0.00 0.93 0.00 0.00 53 K 7.80 3.97 0.00 1.69 1.63 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.25 7.81