NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5847 8.3049 120.3671 56.1651 32.8582 171.8264 2 I 2.8429 7.6890 126.8222 59.2018 38.0621 169.3918 3 V 3.3365 8.5402 124.5834 62.0136 32.9218 173.6892 4 P 4.2833 0.0000 0.0000 61.6048 31.2442 176.6985 5 V 3.6614 8.1481 123.7924 63.6540 32.1829 173.1411 6 R 3.6588 8.4699 128.0619 56.0428 29.3290 175.4574 7 C 4.0222 8.3538 121.2117 58.4190 32.4120 172.6485 8 F 4.2501 8.2496 123.0755 60.6534 38.3368 177.1862 9 S 3.4314 8.4837 114.1696 62.6809 63.4362 175.4664 10 C 4.0479 8.3039 116.2550 56.9506 42.2814 174.2557 11 G 3.1815 8.1998 113.6047 44.1231 0.0000 173.9248 12 K 3.9097 7.9844 122.8080 56.0573 32.7227 176.0231 13 V 3.9229 8.1313 124.9311 64.1263 32.2666 176.3588 14 V 4.3797 8.0552 120.6018 63.6722 34.6485 175.3693 15 G 3.6824 8.0701 107.9822 48.3886 0.0000 174.9260 16 D 4.5385 8.1831 119.7026 56.1964 40.2392 178.6874 17 K 4.0609 7.4840 116.2976 57.6424 32.1496 178.3264 18 W 4.7200 9.1339 130.8208 59.8500 30.5362 177.5702 19 E 3.7275 8.3588 117.3912 59.6901 29.3051 179.4058 20 S 4.0793 8.1862 114.3438 61.9730 62.7004 176.1314 21 Y 3.9140 7.5520 119.7747 60.7894 38.6609 177.1917 22 L 3.4981 8.1546 121.4839 58.3142 41.7617 178.9227 23 N 4.3176 8.3758 116.5948 55.9865 38.3898 177.0239 24 L 4.0827 7.4520 117.4083 55.9831 41.3123 177.9465 25 L 4.2371 7.6357 118.9797 56.3089 42.8733 178.4564 26 Q 3.8833 7.2287 116.7981 59.1135 29.5305 176.6876 27 E 3.9221 7.7311 118.1081 58.1394 29.1957 177.8984 28 D 4.1676 8.8723 119.8242 56.7471 41.5800 178.5326 29 E 3.7563 7.9898 112.9937 57.6988 25.6638 174.4308 30 L 4.8436 7.8431 125.5478 52.6396 46.0650 175.3550 31 D 4.9386 7.9867 117.9509 52.3564 41.7891 175.9128 32 E 3.3402 9.0263 115.4063 57.6997 30.3831 180.9914 33 G 3.9357 8.2677 110.6171 47.8142 0.0000 175.7822 34 T 4.0050 8.1425 118.1918 66.1654 68.4937 176.7395 35 A 3.9705 7.8436 121.5603 55.6356 18.5476 179.0856 36 L 4.1028 8.2304 116.4144 58.5000 41.6101 179.6294 37 S 4.1113 7.8479 113.7696 62.1515 62.6201 177.1854 38 R 3.9823 7.7214 120.1600 59.0423 29.9636 177.9556 39 L 4.2511 8.0708 117.5243 55.7018 41.8402 177.9068 40 G 3.9214 7.7047 107.2949 44.8704 0.0000 173.8548 41 L 4.2073 7.6316 119.5506 54.4495 41.0110 176.1978 42 K 4.3194 8.6673 123.6296 57.7498 33.6736 177.2971 43 R 4.6914 7.7157 116.4500 53.9683 31.1403 176.4278 44 Y 4.3372 9.4512 120.3110 60.4659 37.5722 177.8710 45 C 3.9929 7.5730 114.5576 61.7455 29.7010 175.4667 46 C 4.5815 8.0285 115.7645 56.6893 34.5750 175.2972 47 R 4.2378 7.6818 121.4448 58.7976 29.8949 178.3978 48 R 3.9857 8.6104 115.7576 59.4211 29.2118 177.7848 49 M 4.0570 8.0743 118.5383 58.8552 32.0895 178.0155 50 I 3.7946 7.4844 119.2600 64.1761 37.3230 178.0269 51 L 3.9798 7.7704 119.5406 57.7850 41.7845 177.7527 52 T 4.4801 7.4244 112.6858 64.5993 70.4101 174.1091 53 H 3.7895 6.9310 116.6767 56.4964 30.0452 173.8724 54 V 4.1884 8.2866 126.5334 61.0798 32.5626 176.7932 55 D 4.7925 8.4066 132.2629 53.3479 40.1291 177.5409 56 L 3.7261 8.2558 121.3704 58.1765 41.6534 178.8204 57 I 4.2665 8.1272 117.8894 64.7155 37.7113 177.0618 58 E 3.8713 8.1019 117.8628 59.5399 29.3732 179.3696 59 K 4.0562 8.7597 119.3723 59.1770 31.8935 179.3382 60 F 4.6504 7.6868 116.5232 60.9114 39.3579 176.8833 61 L 4.2690 9.1293 119.6135 58.1313 41.2276 179.4011 62 R 4.0373 7.4201 113.3802 55.7152 29.9719 175.2722 63 Y 4.4527 8.2730 119.8803 58.1495 36.0188 176.0277 64 N 4.9448 9.0758 125.3385 53.8393 42.3862 171.2182 65 P 4.4932 0.0000 0.0000 62.9130 31.7334 176.3757 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 M 8.30 4.58 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 2 I 7.69 2.84 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.15 0.82 0.00 0.00 3 V 8.54 3.34 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.22 0.00 0.00 4 P 0.00 4.28 0.00 1.75 1.63 0.00 3.54 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 5 V 8.15 3.66 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 0.77 0.00 0.00 0.89 0.00 0.00 6 R 8.47 3.66 0.00 1.91 2.02 0.00 3.24 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 7 C 8.35 4.02 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 4.25 0.00 3.08 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 9 S 8.48 3.43 0.00 3.94 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 10 C 8.30 4.05 0.00 3.07 3.18 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 0.00 0.00 0.00 11 G 8.20 3.18 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 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.98 3.91 0.00 1.79 1.68 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.43 7.81 13 V 8.13 3.92 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 0.81 0.00 0.00 0.92 0.00 0.00 14 V 8.06 4.38 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 0.81 0.00 0.00 0.93 0.00 0.00 15 G 8.07 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 16 D 8.18 4.54 0.00 2.96 2.96 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 17 K 7.48 4.06 0.00 1.96 1.97 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.56 7.81 18 W 9.13 4.72 0.00 3.28 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 3.73 0.00 2.07 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 2.56 2.59 0.00 20 S 8.19 4.08 0.00 3.91 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 21 Y 7.55 3.91 0.00 2.88 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 22 L 8.15 3.50 0.00 0.80 1.36 0.61 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.38 4.32 0.00 2.93 2.75 0.00 0.00 6.95 6.52 0.00 0.00 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 L 7.45 4.08 0.00 1.58 1.57 0.90 0.50 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 25 L 7.64 4.24 0.00 1.59 1.46 0.66 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.23 3.88 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 27 E 7.73 3.92 0.00 2.13 1.71 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 2.35 2.28 0.00 28 D 8.87 4.17 0.00 2.57 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 29 E 7.99 3.76 0.00 1.95 2.28 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 2.24 2.54 0.00 30 L 7.84 4.84 0.00 1.74 1.50 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.99 4.94 0.00 2.79 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 32 E 9.03 3.34 0.00 2.15 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 2.51 2.63 0.00 33 G 8.27 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.14 4.00 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 1.21 0.00 0.00 35 A 7.84 3.97 1.31 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 36 L 8.23 4.10 0.00 1.90 1.78 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.85 4.11 0.00 4.15 3.97 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 0.00 0.00 0.00 38 R 7.72 3.98 0.00 1.85 2.16 0.00 3.25 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 39 L 8.07 4.25 0.00 1.86 1.76 1.20 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.70 3.92 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 0.00 0.00 0.00 41 L 7.63 4.21 0.00 1.68 1.68 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.67 4.32 0.00 1.88 1.95 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.45 7.81 43 R 7.72 4.69 0.00 2.15 2.19 0.00 3.02 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 44 Y 9.45 4.34 0.00 3.20 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 45 C 7.57 3.99 0.00 3.00 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 46 C 8.03 4.58 0.00 3.01 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 47 R 7.68 4.24 0.00 2.10 2.06 0.00 3.21 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 48 R 8.61 3.99 0.00 1.97 2.15 0.00 3.23 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.11 0.00 49 M 8.07 4.06 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 50 I 7.48 3.79 1.65 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 1.34 0.76 0.45 0.00 0.00 51 L 7.77 3.98 0.00 1.62 1.75 1.00 0.92 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 52 T 7.42 4.48 4.33 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 1.26 0.00 0.00 53 H 6.93 3.79 0.00 3.02 3.08 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.29 4.19 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 0.87 0.00 0.00 1.05 0.00 0.00 55 D 8.41 4.79 0.00 2.71 2.70 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 0.00 0.00 0.00 56 L 8.26 3.73 0.00 1.84 1.07 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.13 4.27 2.04 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 1.77 1.50 1.08 0.00 0.00 58 E 8.10 3.87 0.00 2.17 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 2.65 2.61 0.00 59 K 8.76 4.06 0.00 1.38 1.68 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 60 F 7.69 4.65 0.00 3.27 3.12 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 0.00 0.00 0.00 61 L 9.13 4.27 0.00 1.86 1.81 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.42 4.04 0.00 1.85 1.80 0.00 3.19 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 63 Y 8.27 4.45 0.00 3.22 2.25 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 64 N 9.08 4.94 0.00 2.68 2.60 0.00 0.00 6.83 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 65 P 0.00 4.49 0.00 2.23 2.03 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00