NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3337 8.0433 120.5823 54.6914 43.9278 175.2097 2 Q 4.3585 8.4431 122.3493 54.6987 29.9565 172.9116 3 C 5.1211 9.3530 121.7073 54.8950 45.9883 172.6035 4 Y 5.3936 8.3439 117.8641 57.3574 38.2337 174.8205 5 N 4.9448 8.9037 123.1241 52.1785 40.8213 174.2523 6 C 4.9010 8.7975 123.8675 54.8654 42.1565 172.3825 7 P 4.3108 0.0000 0.0000 64.2319 31.5062 175.4636 8 N 5.0180 7.4897 115.1104 51.3446 42.6350 173.3725 9 P 4.1950 0.0000 0.0000 62.2443 29.8004 175.4341 10 T 4.3623 7.6360 122.0430 61.3847 69.6433 173.8677 11 A 4.9179 7.6534 124.3605 51.6180 19.5759 176.1722 12 D 4.5211 7.0448 112.9617 54.6879 43.9987 176.4531 13 C 4.4050 8.3635 118.9861 57.0233 44.3076 172.7471 14 K 4.3107 8.3736 125.9898 56.3771 32.9067 175.7042 15 T 4.5602 8.0548 113.4356 59.7810 68.0015 172.8308 16 A 4.3806 8.6554 131.1734 51.6706 19.3589 176.7033 17 V 4.4696 8.3453 120.4877 60.1250 35.1102 173.6296 18 N 4.6674 8.7237 119.8845 53.8529 39.2467 175.2958 19 C 4.5363 8.3921 119.0524 56.2243 41.3983 174.0576 20 S 4.2091 8.6887 116.9133 58.4878 62.1692 173.3634 21 S 4.4414 8.4073 117.5940 58.2552 63.3860 173.1931 22 D 4.1902 8.4342 117.2247 55.2148 37.9982 174.1707 23 F 4.9609 7.9741 115.9646 56.3102 41.7668 174.2606 24 D 5.0347 9.0636 123.0815 53.4479 43.2622 175.5283 25 A 4.8860 8.2709 120.8613 49.9463 21.8255 175.1771 26 C 4.7772 8.8989 120.1921 57.5153 40.1099 172.8631 27 L 5.1693 8.5903 123.7463 53.3843 45.0467 175.0260 28 I 5.3405 8.4429 125.2951 58.6207 39.6629 173.7381 29 T 4.8825 8.2728 124.5567 61.3733 71.1525 174.3090 30 K 4.8210 8.4072 124.7117 54.2941 34.5042 175.9850 31 A 4.6464 8.4725 134.4020 53.6455 19.2931 178.1182 32 G 4.0675 8.0362 105.8090 45.7816 0.0000 173.6899 33 L 5.5064 6.8922 129.7539 55.9053 42.6430 175.1043 34 Q 4.3375 7.1187 116.6309 54.1669 32.8198 175.0182 35 V 4.4048 7.8812 124.0392 61.4264 30.5794 174.8582 36 Y 4.1532 8.6106 123.6009 58.2716 39.5255 175.4751 37 N 5.1883 8.7290 119.0757 52.1644 41.9867 173.6978 38 K 4.6464 8.5796 120.9982 55.6479 36.7384 174.3556 39 C 4.6595 8.2376 119.0548 56.3511 35.2968 172.8856 40 W 4.9934 8.9531 132.7503 55.3567 34.3465 174.5902 41 K 4.7711 8.4010 122.0116 55.5648 32.6626 177.9934 42 F 4.3387 8.7183 122.3460 60.3895 39.6812 176.1604 43 E 4.1055 8.2015 119.9089 58.0937 29.8097 176.1694 44 H 4.9096 8.2408 113.3381 56.0533 29.6512 176.1983 45 C 3.9720 7.3667 122.3940 55.4105 42.0523 170.6095 46 N 5.5888 6.8378 117.3155 50.3225 40.7928 174.5036 47 F 4.5603 8.4328 118.7573 56.3305 38.1518 174.2431 48 N 4.5752 7.0634 127.7471 53.5834 42.0324 175.4814 49 D 4.1897 7.9511 117.8460 55.8203 40.9019 178.2090 50 V 3.5811 7.1306 118.2863 64.7179 31.9406 177.3622 51 T 3.9868 7.5838 107.8071 63.7641 68.5866 175.6739 52 T 4.2300 7.2863 118.4862 65.5451 69.2522 176.9691 53 R 4.0009 7.4376 117.9615 59.3882 30.1994 178.1380 54 L 4.1725 7.8756 115.1889 55.2530 41.8224 177.2345 55 R 3.9526 7.7876 116.6281 57.3778 28.0546 175.4768 56 E 4.8548 7.5161 120.2498 55.9143 31.1117 172.0215 57 N 4.7672 7.8386 113.7534 54.7105 45.7800 174.7785 58 E 4.0705 8.1540 129.0252 57.5536 29.4056 176.1234 59 L 4.4502 7.6778 122.0272 55.4555 43.1768 174.6587 60 T 4.3943 7.7924 110.4548 59.6018 69.5028 171.3587 61 Y 4.2531 7.6468 127.6288 56.8451 40.1334 174.0434 62 Y 4.5990 8.5963 123.9108 55.8727 41.2078 173.9962 63 C 5.5615 8.3697 123.9311 56.5061 36.3413 173.2283 64 C 4.8528 8.3764 119.8162 54.9599 47.7530 173.3361 65 K 4.9057 8.2932 118.2100 55.9593 32.8825 176.4801 66 K 4.4866 7.9619 118.3159 54.0975 34.8888 173.7182 67 D 4.3596 8.6910 126.2693 55.6478 40.6280 174.9323 68 L 3.4964 8.6183 125.1576 55.2602 38.1526 173.9777 69 C 4.4463 7.8698 113.8162 55.9101 43.8127 173.3011 70 N 4.4297 7.7180 115.3963 52.9850 38.8693 174.3229 71 F 4.3796 6.8476 112.2100 57.7034 38.3754 175.3116 72 N 4.7767 8.4537 117.9696 50.9729 36.1409 175.8203 73 E 4.7916 7.8623 119.9711 54.8960 30.4280 175.2551 74 Q 4.4968 7.7287 113.1250 56.2285 30.0965 174.1122 75 L 4.5643 7.8881 112.4033 54.4152 43.6868 176.4978 76 E 4.5364 7.9470 120.2753 54.3681 29.5164 175.7861 77 N 4.4987 8.2440 119.0765 52.7439 37.7035 175.9843 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 L 8.04 4.33 0.00 1.69 1.67 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.44 4.36 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 3 C 9.35 5.12 0.00 2.77 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.34 5.39 0.00 2.91 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 5 N 8.90 4.94 0.00 2.68 2.70 0.00 0.00 7.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.80 4.90 0.00 3.02 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 7 P 0.00 4.31 0.00 2.19 2.18 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 8 N 7.49 5.02 0.00 2.66 2.67 0.00 0.00 7.00 8.02 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 9 P 0.00 4.19 0.00 1.71 1.26 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 10 T 7.64 4.36 4.20 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 1.20 0.00 0.00 11 A 7.65 4.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.04 4.52 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 4.41 0.00 2.93 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 14 K 8.37 4.31 0.00 1.65 1.68 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.25 7.81 15 T 8.05 4.56 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 1.33 0.00 0.00 16 A 8.66 4.38 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 4.47 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 0.68 0.00 0.00 0.92 0.00 0.00 18 N 8.72 4.67 0.00 2.62 2.80 0.00 0.00 6.99 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 19 C 8.39 4.54 0.00 3.16 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 20 S 8.69 4.21 0.00 4.03 4.37 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.41 4.44 0.00 3.82 3.73 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 22 D 8.43 4.19 0.00 2.16 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 23 F 7.97 4.96 0.00 3.24 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 9.06 5.03 0.00 2.53 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 25 A 8.27 4.89 1.48 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 0.00 0.00 26 C 8.90 4.78 0.00 2.94 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 27 L 8.59 5.17 0.00 1.88 1.84 0.55 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.44 5.34 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 1.09 0.00 0.00 29 T 8.27 4.88 4.29 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 0.00 0.00 1.19 0.00 0.00 30 K 8.41 4.82 0.00 1.79 1.65 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 31 A 8.47 4.65 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.89 5.51 0.00 1.94 1.77 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.12 4.34 0.00 1.71 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 35 V 7.88 4.40 2.24 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 0.85 0.00 0.00 0.93 0.00 0.00 36 Y 8.61 4.15 0.00 3.03 2.95 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 37 N 8.73 5.19 0.00 2.59 2.94 0.00 0.00 6.79 7.64 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 38 K 8.58 4.65 0.00 1.87 1.95 0.00 1.54 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.98 7.81 39 C 8.24 4.66 0.00 1.23 2.42 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 0.00 40 W 8.95 4.99 0.00 3.51 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 41 K 8.40 4.77 0.00 1.70 1.62 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.03 7.81 42 F 8.72 4.34 0.00 2.95 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 43 E 8.20 4.11 0.00 1.99 2.03 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 2.30 2.41 0.00 44 H 8.24 4.91 0.00 3.45 3.69 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.37 3.97 0.00 2.96 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 46 N 6.84 5.59 0.00 2.82 2.75 0.00 0.00 6.27 7.49 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 47 F 8.43 4.56 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.06 4.58 0.00 2.87 2.74 0.00 0.00 7.72 8.50 0.00 0.00 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 D 7.95 4.19 0.00 2.98 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 50 V 7.13 3.58 1.25 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 0.25 0.00 0.00 -0.52 0.00 0.00 51 T 7.58 3.99 4.43 0.00 0.00 0.00 0.00 0.00 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 52 T 7.29 4.23 4.29 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 0.00 0.00 1.23 0.00 0.00 53 R 7.44 4.00 0.00 2.62 2.38 0.00 2.99 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 54 L 7.88 4.17 0.00 1.50 1.48 0.46 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.79 3.95 0.00 2.01 2.08 0.00 3.13 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 56 E 7.52 4.85 0.00 1.81 1.74 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 2.21 2.20 0.00 57 N 7.84 4.77 0.00 2.70 2.65 0.00 0.00 6.87 7.68 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 58 E 8.15 4.07 0.00 2.03 1.98 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 2.36 2.28 0.00 59 L 7.68 4.45 0.00 1.55 1.57 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.79 4.39 4.13 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 1.18 0.00 0.00 61 Y 7.65 4.25 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.60 4.60 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.37 5.56 0.00 2.92 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 64 C 8.38 4.85 0.00 2.95 2.86 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 0.00 0.00 0.00 0.00 65 K 8.29 4.91 0.00 1.63 1.63 0.00 1.47 0.00 0.00 1.03 0.00 0.00 2.61 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.12 1.27 7.81 66 K 7.96 4.49 0.00 1.71 1.71 0.00 1.92 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.45 7.81 67 D 8.69 4.36 0.00 2.72 2.68 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 68 L 8.62 3.50 0.00 1.99 1.99 0.88 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 C 7.87 4.45 0.00 2.97 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 70 N 7.72 4.43 0.00 2.83 2.75 0.00 0.00 7.06 8.03 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 71 F 6.85 4.38 0.00 3.04 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 72 N 8.45 4.78 0.00 2.87 2.92 0.00 0.00 5.65 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.86 4.79 0.00 1.82 1.77 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 0.00 2.21 2.19 0.00 74 Q 7.73 4.50 0.00 1.95 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.34 7.34 0.00 0.00 0.00 0.00 0.00 1.57 2.14 0.00 75 L 7.89 4.56 0.00 1.56 1.52 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.95 4.54 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 77 N 8.24 4.50 0.00 2.81 2.76 0.00 0.00 6.17 7.55 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