NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 S 4.3446 8.1933 116.7961 58.3193 64.4110 174.0895 46 D 4.6845 8.0273 121.2045 53.9138 41.5929 175.1565 47 G 4.1471 7.2924 118.1882 46.3936 0.0000 172.6310 48 D 4.9553 8.9567 126.0328 51.7372 40.7788 176.1517 49 Q 4.7549 8.7618 123.6634 55.6068 29.5203 176.1271 50 C 4.4769 7.8880 115.4677 56.3615 44.1986 173.4366 51 A 4.5952 8.1324 118.4330 51.6858 18.3454 178.4787 52 S 4.5377 7.3359 110.8354 59.2717 64.2058 174.3965 53 S 3.6262 8.2154 113.5982 60.0005 59.5655 170.6253 54 P 4.2954 0.0000 0.0000 64.8995 32.0840 178.2961 55 C 5.5656 7.6213 113.9271 54.7832 42.1716 172.7802 56 Q 4.3197 7.6109 118.5240 56.4529 31.9990 174.1279 57 N 4.2079 9.5990 110.9838 55.5623 35.8900 174.3101 58 G 3.8871 8.2498 99.3096 46.2537 0.0000 173.9493 59 G 3.5980 7.7351 106.8725 46.0685 0.0000 174.7264 60 S 4.6780 8.7875 121.5578 57.6357 63.3736 172.5774 61 C 5.2131 8.6229 125.1273 55.6119 40.6536 172.5872 62 K 4.9366 9.3070 125.5704 54.4422 35.6986 174.8181 63 D 4.8314 8.9321 127.1810 53.6984 40.0171 175.3173 64 Q 4.7268 8.1381 121.3777 53.1678 32.6000 174.7477 65 L 4.0030 8.3478 119.9211 56.4381 42.4732 175.4307 66 Q 3.8438 7.7162 120.3989 54.7169 29.0996 177.2574 67 S 4.9470 7.8045 120.5135 57.7382 65.9813 170.9135 68 Y 5.1669 7.3798 120.2420 56.3851 41.1236 174.4451 69 I 4.4443 8.5453 117.5702 60.0458 41.9466 173.7206 70 C 5.3513 8.4826 125.7880 55.2359 38.0518 173.4759 71 F 4.5937 9.5724 124.7664 56.9243 39.6157 174.2966 72 C 5.4477 8.5704 122.8726 55.1915 38.2685 173.4643 73 L 4.7364 8.1726 118.6219 53.0308 43.0319 175.9884 74 P 4.3703 0.0000 0.0000 65.1371 31.5392 176.8363 75 A 4.4870 8.1221 121.8208 51.8207 18.7915 176.0986 76 F 4.8858 8.0947 115.8175 56.5356 42.3151 174.4278 77 E 4.6001 9.7632 121.5391 54.4211 32.3218 174.7846 78 G 3.9850 8.8844 104.5116 44.9458 0.0000 173.9785 79 R 4.0551 8.5209 119.6210 58.8046 30.6799 176.4854 80 N 5.0784 8.9447 115.9216 53.5571 39.4744 173.8240 81 C 4.3129 8.4029 109.1895 58.1291 38.3178 173.7730 82 E 4.5979 8.2897 114.1826 56.4100 29.5714 175.4556 83 T 4.6933 7.9806 116.1882 62.6463 72.7992 172.3891 84 H 4.0912 8.8872 126.6751 54.6436 30.6100 176.2085 85 K 4.5013 7.5986 127.9852 55.3464 28.6157 176.7437 86 D 4.3390 7.9597 119.9605 54.7099 42.3784 175.0984 87 D 4.4165 7.9326 116.9219 54.6465 39.1590 173.2150 88 G 3.7586 8.3792 110.7005 45.7919 0.0000 172.5605 89 S 4.2348 9.4749 115.8755 60.2776 64.0596 173.9570 90 A 4.3054 7.8244 126.1535 52.1515 18.9551 176.3727 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 45 S 8.19 4.34 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 46 D 8.03 4.68 0.00 2.75 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 47 G 7.29 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.96 4.96 0.00 2.76 2.66 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 0.00 0.00 0.00 0.00 49 Q 8.76 4.75 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.76 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 50 C 7.89 4.48 0.00 2.40 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 51 A 8.13 4.60 1.24 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 0.00 0.00 0.00 52 S 7.34 4.54 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.22 3.63 0.00 3.96 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 54 P 0.00 4.30 0.00 2.03 1.96 0.00 3.54 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.00 55 C 7.62 5.57 0.00 2.94 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 56 Q 7.61 4.32 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 57 N 9.60 4.21 0.00 3.03 2.43 0.00 0.00 7.26 7.83 0.00 0.00 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 G 8.25 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.79 4.68 0.00 4.18 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 61 C 8.62 5.21 0.00 2.94 2.93 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 0.00 0.00 0.00 62 K 9.31 4.94 0.00 2.10 1.79 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 63 D 8.93 4.83 0.00 2.76 2.71 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 0.00 0.00 0.00 64 Q 8.14 4.73 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 65 L 8.35 4.00 0.00 1.59 1.57 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.72 3.84 0.00 2.31 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 67 S 7.80 4.95 0.00 3.66 3.52 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 0.00 0.00 0.00 0.00 68 Y 7.38 5.17 0.00 3.04 2.98 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 69 I 8.55 4.44 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.60 1.07 0.00 0.00 70 C 8.48 5.35 0.00 2.84 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 71 F 9.57 4.59 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.57 5.45 0.00 2.85 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 73 L 8.17 4.74 0.00 1.92 1.72 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.37 0.00 2.21 2.22 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 75 A 8.12 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.09 4.89 0.00 3.17 2.94 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 77 E 9.76 4.60 0.00 2.05 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 2.26 2.24 0.00 78 G 8.88 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 79 R 8.52 4.06 0.00 1.78 2.05 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 80 N 8.94 5.08 0.00 3.14 2.92 0.00 0.00 7.17 8.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.40 4.31 0.00 3.10 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 82 E 8.29 4.60 0.00 2.10 2.06 0.00 0.00 0.00 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 2.35 0.00 83 T 7.98 4.69 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 1.22 0.00 0.00 84 H 8.89 4.09 0.00 3.07 3.07 0.00 5.92 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.60 4.50 0.00 1.58 1.69 0.00 1.88 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.14 7.81 86 D 7.96 4.34 0.00 2.53 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.93 4.42 0.00 2.79 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 88 G 8.38 3.76 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 0.00 0.00 0.00 89 S 9.47 4.23 0.00 3.86 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 90 A 7.82 4.31 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