NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3681 8.1127 119.6562 56.1819 32.4072 173.4721 5 E 4.8060 8.3694 120.3802 53.1858 32.2343 173.5145 6 C 4.2296 10.0171 127.7617 59.5102 32.5107 173.6617 7 D 4.4120 8.5746 128.1780 56.4378 39.9148 176.1588 8 Y 4.2657 7.0776 119.3155 59.0476 40.2493 175.8604 9 C 4.0118 8.1437 115.6007 59.3582 30.7157 175.6953 10 G 3.9691 8.2753 108.2893 45.1371 0.0000 173.3405 11 T 4.3953 7.4600 110.1264 60.7564 71.0312 173.4653 12 D 4.8608 8.4881 122.1839 54.3747 41.5991 176.6190 13 I 4.1108 8.3911 125.2305 59.9842 37.6549 175.4897 14 E 3.8190 8.9841 128.4957 55.6640 29.7182 174.7496 15 P 4.3115 0.0000 0.0000 64.5336 31.5964 176.1717 16 G 3.8779 9.3977 108.1764 46.3955 0.0000 172.6083 17 T 4.5278 7.2277 114.3880 62.4378 72.7134 174.0136 18 G 4.0780 9.0362 109.6499 45.6818 0.0000 172.4624 19 T 4.8184 8.3454 112.9764 61.8905 73.2545 173.4735 20 M 5.1087 8.6968 123.4160 53.8755 34.4754 174.3382 21 F 4.8098 9.4577 130.3214 57.3826 41.2015 174.3643 22 V 4.3223 7.6580 126.2034 61.3841 32.3987 175.3642 23 H 4.0938 9.0680 125.8166 54.8475 29.5276 176.4738 24 K 3.8558 8.7359 122.2534 59.7446 31.9787 177.8350 25 D 4.3863 8.0003 116.7355 55.7622 39.4607 175.7633 26 G 3.3992 7.5732 106.7537 44.6259 0.0000 173.8571 27 A 4.1826 9.3469 124.7594 52.4869 19.6615 176.5999 28 T 4.9262 8.4296 116.7084 62.0048 71.5037 173.7885 29 T 4.6327 8.9532 122.5926 62.0918 72.0491 172.6531 30 H 5.0494 9.5254 125.1405 54.8823 30.5954 174.4883 31 F 5.3722 9.4746 122.6937 55.9011 41.1472 176.7440 32 C 4.3238 9.1607 117.5949 60.4944 30.2323 173.5556 33 S 4.6707 7.6959 113.8919 56.0689 66.8699 174.6042 34 S 4.2479 8.4405 117.1684 60.5214 62.8295 176.0268 35 K 3.7775 7.9927 122.8144 59.6015 31.9139 178.3570 36 C 4.1265 7.7992 115.7590 62.8566 27.8462 175.6602 37 E 2.5597 7.3451 119.9790 59.3123 28.9139 179.4463 38 N 4.2732 8.0574 116.2971 56.3041 38.5015 177.3393 39 N 4.4091 8.1057 117.7590 56.1967 38.6917 177.3688 40 A 4.3163 7.6073 122.2589 55.2446 18.2051 179.4284 41 D 4.3810 7.5772 116.2718 56.9337 40.8506 177.9253 42 L 4.4403 7.3859 117.2624 54.3174 41.5536 177.5685 43 G 3.9703 7.6980 105.6221 46.0839 0.0000 174.6682 44 R 4.2973 7.7136 117.9215 55.6163 31.0764 175.7119 45 E 4.6594 8.4270 119.7120 54.2243 31.6042 177.1618 46 A 3.4726 8.0940 125.6078 55.1055 18.5418 180.0313 47 R 3.7727 7.6916 113.8076 59.1673 30.1909 177.2924 48 N 4.5200 7.9008 112.7732 53.4698 39.2785 174.6474 49 L 4.5142 7.1700 120.2056 52.5960 42.8192 177.0437 50 E 3.9522 8.9652 124.4681 59.1917 29.5403 178.7048 51 W 4.3956 7.9171 113.8983 58.6239 28.9123 176.6801 52 T 3.6583 6.8545 117.3623 63.2211 68.1393 174.9325 53 D 4.3541 8.6562 125.3873 57.2807 40.9025 176.7740 54 T 3.8370 6.9920 115.7718 64.8144 68.9248 175.6464 55 A 3.9298 7.5053 127.0424 55.3527 19.0436 177.7010 56 R 4.1350 7.8419 115.2656 56.3272 29.7486 176.2472 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 4 R 8.11 4.37 0.00 1.77 1.88 0.00 2.96 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 5 E 8.37 4.81 0.00 1.95 1.76 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 2.15 2.44 0.00 6 C 10.02 4.23 0.00 3.04 2.90 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 7 D 8.57 4.41 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.08 4.27 0.00 2.95 3.02 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 0.00 0.00 0.00 9 C 8.14 4.01 0.00 3.24 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 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 0.00 0.00 0.00 11 T 7.46 4.40 4.30 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 1.30 0.00 0.00 12 D 8.49 4.86 0.00 2.61 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 13 I 8.39 4.11 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.97 0.00 0.00 14 E 8.98 3.82 0.00 2.06 1.90 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 2.41 2.42 0.00 15 P 0.00 4.31 0.00 2.23 2.07 0.00 3.88 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 2.00 1.99 0.00 16 G 9.40 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 17 T 7.23 4.53 4.46 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 1.24 0.00 0.00 18 G 9.04 4.08 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 0.00 0.00 0.00 19 T 8.35 4.82 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 1.31 0.00 0.00 20 M 8.70 5.11 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.35 0.00 21 F 9.46 4.81 0.00 3.30 3.22 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 22 V 7.66 4.32 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 0.73 0.00 0.00 0.84 0.00 0.00 23 H 9.07 4.09 0.00 3.31 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.74 3.86 0.00 1.73 1.87 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 8.00 4.39 0.00 2.81 2.79 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 26 G 7.57 3.40 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 0.00 27 A 9.35 4.18 1.20 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 0.00 0.00 28 T 8.43 4.93 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 1.19 0.00 0.00 29 T 8.95 4.63 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 0.67 0.00 0.00 30 H 9.53 5.05 0.00 3.19 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.47 5.37 0.00 3.01 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 32 C 9.16 4.32 0.00 3.17 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 33 S 7.70 4.67 0.00 4.03 4.03 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 34 S 8.44 4.25 0.00 3.98 4.09 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 35 K 7.99 3.78 0.00 1.76 1.84 0.00 1.43 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.47 1.40 7.81 36 C 7.80 4.13 0.00 3.40 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 37 E 7.35 2.56 0.00 1.70 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 1.47 2.15 0.00 38 N 8.06 4.27 0.00 2.75 2.77 0.00 0.00 7.09 7.66 0.00 0.00 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 N 8.11 4.41 0.00 2.85 3.11 0.00 0.00 6.91 7.77 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 40 A 7.61 4.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.58 4.38 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 42 L 7.39 4.44 0.00 1.81 1.71 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.70 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 0.00 0.00 0.00 44 R 7.71 4.30 0.00 2.17 1.99 0.00 3.26 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 45 E 8.43 4.66 0.00 1.97 1.76 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 2.32 2.29 0.00 46 A 8.09 3.47 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.77 0.00 1.73 1.92 0.00 3.14 0.00 0.00 3.17 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 48 N 7.90 4.52 0.00 2.69 2.83 0.00 0.00 6.93 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 49 L 7.17 4.51 0.00 0.98 0.93 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.97 3.95 0.00 2.03 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 0.00 2.32 2.33 0.00 51 W 7.92 4.40 0.00 3.56 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.85 3.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 53 D 8.66 4.35 0.00 2.69 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 54 T 6.99 3.84 4.02 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 0.00 0.00 1.07 0.00 0.00 55 A 7.51 3.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 4.13 0.00 1.94 1.90 0.00 3.12 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.00