NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8504 8.3249 119.3309 57.4368 39.3329 174.1718 2 V 3.9371 8.0591 119.1832 59.3889 32.6887 174.8158 3 N 4.5299 9.3502 121.4380 53.8200 39.9511 173.7227 4 Q 4.7250 8.0997 117.3388 54.2672 31.7936 175.2364 5 H 4.4757 8.5550 117.0208 55.2911 29.4992 175.2342 6 L 4.7082 8.4617 123.3489 53.2023 44.2358 175.6158 7 C 4.9545 8.2802 120.9604 58.6882 32.7803 174.7423 8 G 3.8490 8.4556 110.9571 46.5457 0.0000 177.4223 9 S 4.0534 8.5285 117.4505 61.1538 63.3431 176.3316 10 H 4.2354 8.0597 118.4462 58.2812 28.2027 177.4599 11 L 3.8396 7.6435 121.7952 58.3743 42.0989 179.4053 12 V 3.2780 7.2848 111.6800 64.0145 31.2656 178.4098 13 E 3.9534 8.1948 118.3979 59.3948 29.3193 179.2465 14 A 3.9201 7.8387 120.5573 55.0324 18.4542 179.5316 15 L 3.5402 7.7971 117.7450 57.9499 41.4671 179.1046 16 Y 4.1022 7.6590 119.2579 60.4901 38.4881 177.7945 17 L 3.7508 7.7894 120.1045 58.3655 42.2925 178.9616 18 V 3.6404 7.5643 116.5253 65.6259 31.7455 176.9562 19 C 4.3849 8.2317 115.8623 59.0742 29.2063 175.7692 20 G 3.4560 8.5136 108.9262 46.3696 0.0000 177.1592 21 E 4.1571 8.8654 122.6762 58.2108 29.6901 178.1225 22 R 3.8622 7.7763 119.0612 57.3205 30.1785 177.6307 23 G 3.9767 9.6973 103.7628 45.3396 0.0000 171.3159 24 F 4.9144 7.5292 112.3141 56.0566 40.1439 172.9878 25 F 4.9376 8.4079 115.2805 55.0268 40.0390 173.9924 26 Y 4.8356 8.9312 124.8774 56.3889 39.6669 175.1860 27 T 4.4637 7.8124 118.3332 58.3819 68.6154 172.5292 28 P 4.1454 0.0000 0.0000 66.0945 31.7290 178.9678 29 K 4.0759 7.8111 116.9168 59.3005 32.9065 176.8622 30 T 4.0670 7.7254 120.9903 63.8215 68.2720 174.0348 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 F 8.32 4.85 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 2 V 8.06 3.94 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 0.68 0.00 0.00 0.93 0.00 0.00 3 N 9.35 4.53 0.00 2.69 2.76 0.00 0.00 6.79 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 4 Q 8.10 4.73 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 5 H 8.56 4.48 0.00 3.14 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.46 4.71 0.00 1.57 1.55 0.89 0.86 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 7 C 8.28 4.95 0.00 2.97 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.46 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.53 4.05 0.00 3.89 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 10 H 8.06 4.24 0.00 3.36 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.64 3.84 0.00 1.85 1.75 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.28 3.28 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 -0.06 0.00 0.00 0.86 0.00 0.00 13 E 8.19 3.95 0.00 2.14 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 2.37 2.43 0.00 14 A 7.84 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.54 0.00 0.72 0.13 0.74 0.76 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 16 Y 7.66 4.10 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.79 3.75 0.00 1.80 1.77 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.56 3.64 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 0.82 0.00 0.00 0.86 0.00 0.00 19 C 8.23 4.38 0.00 3.20 3.20 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 20 G 8.51 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.87 4.16 0.00 2.08 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 2.26 2.36 0.00 22 R 7.78 3.86 0.00 2.00 2.08 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 23 G 9.70 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.53 4.91 0.00 2.98 2.99 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 25 F 8.41 4.94 0.00 3.21 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 26 Y 8.93 4.84 0.00 3.18 3.16 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 27 T 7.81 4.46 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 1.36 0.00 0.00 28 P 0.00 4.15 0.00 2.09 2.02 0.00 3.29 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 29 K 7.81 4.08 0.00 1.87 1.97 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.43 7.81 30 T 7.73 4.07 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 1.25 0.00 0.00