NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2429 8.1233 122.4580 51.8463 20.9033 176.0222 2 D 4.7027 8.4739 119.7859 53.1409 40.0253 175.8345 3 C 4.5068 8.9441 124.0001 59.5955 42.3500 174.0664 4 A 4.7244 7.2651 117.8599 50.6827 22.2032 175.2764 5 K 5.2335 8.7043 119.8962 52.9243 35.6344 176.3422 6 G 4.1611 7.9571 111.3198 43.8582 0.0000 171.9882 7 K 4.5343 7.8562 119.1610 55.3719 33.2045 176.3177 8 I 4.3238 7.9802 121.6813 60.6590 37.7899 176.0224 9 E 4.3454 8.9303 126.6644 59.0213 29.8596 177.0928 10 F 5.2069 7.3456 112.3789 55.5762 41.6949 172.9013 11 S 5.3592 8.8453 113.2914 56.6393 66.6075 173.1425 12 K 4.4674 8.7094 121.2155 55.0728 35.6365 174.0749 13 Y 4.4257 8.6732 129.0946 57.0363 39.5461 174.2963 14 N 4.9321 8.1457 124.2343 51.2270 40.7456 175.7873 15 E 4.0110 8.7457 121.6221 59.3001 29.8105 177.2366 16 D 4.6201 7.9536 116.2598 53.1945 39.3941 176.4280 17 D 4.3919 8.1471 117.1599 55.4486 39.3020 173.9038 18 T 4.6204 7.3686 110.6884 60.8294 71.3370 173.3157 19 F 5.1626 9.5965 124.2783 56.7851 42.3999 173.5419 20 T 5.3250 8.7460 123.0153 62.0925 70.9715 174.0184 21 V 4.8244 8.9320 118.2106 59.4248 35.9611 174.3050 22 K 4.7047 8.1170 125.3802 54.9384 34.2912 175.5449 23 V 4.5584 8.2796 126.5088 61.6942 35.1275 173.9817 24 D 4.5666 9.3621 128.4180 55.7351 39.2575 173.4416 25 G 4.0442 8.5522 101.7303 46.0031 0.0000 173.4896 26 K 4.5721 7.8042 117.4964 54.2589 36.1900 175.3670 27 E 4.8426 8.1997 123.0081 55.7360 31.5206 174.9685 28 Y 5.2992 9.0564 119.8845 56.1856 42.9596 174.1144 29 W 5.7715 8.7407 118.2883 55.2071 32.2266 174.0394 30 T 4.7158 9.3181 114.9379 60.4347 70.2811 174.2232 31 S 4.8346 8.8732 120.5753 58.0735 63.8577 174.0040 32 R 4.2462 7.5926 121.4914 55.5422 30.6402 176.7511 33 W 4.3740 9.2547 133.6109 60.8538 30.7925 177.5904 34 N 4.4902 8.1898 112.8086 55.1488 38.4550 177.0331 35 L 4.1605 7.5535 118.5729 57.7086 41.5126 178.4720 36 Q 3.2203 7.7326 118.0718 58.4484 28.5879 177.0762 37 P 4.0702 0.0000 0.0000 66.3732 31.0051 178.3131 38 L 3.9350 7.6096 118.3853 57.1571 41.4034 179.4462 39 L 4.2141 7.9387 119.1672 57.8247 41.7134 179.1234 40 L 4.1286 7.8347 119.7826 58.2231 41.9171 178.7830 41 S 4.1107 8.1664 114.8784 61.8430 62.8287 176.6968 42 A 4.1081 8.1054 123.1118 55.0729 18.0364 179.5929 43 Q 3.9424 7.9383 118.0035 59.4886 29.0208 178.3251 44 L 4.1265 8.0191 118.9419 57.0451 41.6836 178.5902 45 T 4.4979 7.6095 106.5778 59.8896 70.4061 174.5904 46 G 3.9898 7.7598 109.5262 47.2951 0.0000 172.7541 47 M 4.4325 8.1849 116.9013 55.4349 34.1380 178.0505 48 T 4.5547 9.0906 117.7343 62.7052 70.2092 174.5829 49 V 4.5681 8.5029 120.4807 59.9469 34.5468 175.6119 50 T 4.4789 8.1196 120.8603 61.5952 70.7265 173.4905 51 I 3.6931 8.0810 128.7610 60.8542 38.1288 175.6891 52 K 4.9314 8.0550 125.3694 54.8758 35.3416 175.4580 53 S 4.3623 8.8864 117.4553 57.7763 65.5502 174.8833 54 S 4.1906 8.9970 119.3677 60.8940 62.9680 174.3859 55 T 4.5316 7.5800 109.4835 60.4757 70.1404 175.0179 56 C 4.9791 8.6153 121.1585 56.3786 39.7761 173.9207 57 E 4.2386 7.9519 118.7722 55.7064 29.8534 176.2446 58 S 3.5031 8.3246 115.1150 60.1995 62.6625 174.6966 59 G 3.9564 8.6131 116.1446 44.9814 0.0000 173.2749 60 S 4.6739 7.5442 114.6924 57.2495 65.5380 173.2956 61 G 3.1499 8.0159 106.9687 44.6555 0.0000 173.1081 62 F 5.1356 8.1662 115.8755 54.9732 41.2336 174.7626 63 A 4.4408 8.5374 118.6447 51.9144 21.3558 175.3740 64 E 4.8933 8.2050 118.4116 54.6981 32.9958 174.7683 65 V 4.7744 8.3311 125.2233 60.4924 34.5608 173.3767 66 Q 4.5020 8.7095 125.6960 54.6644 31.2139 174.0358 67 F 5.1710 8.7727 123.4991 55.8333 41.6128 174.2483 68 N 5.0508 8.9594 121.3683 51.4833 41.1411 175.8104 69 N 4.1263 9.6104 121.3473 57.0512 39.1149 174.8349 70 D 4.7047 7.2938 120.6000 52.8695 40.8883 174.8510 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 A 8.12 4.24 1.28 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 0.00 0.00 0.00 0.00 0.00 2 D 8.47 4.70 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.94 4.51 0.00 2.30 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 4 A 7.27 4.72 1.09 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 0.00 0.00 5 K 8.70 5.23 0.00 1.57 1.56 0.00 1.60 0.00 0.00 2.32 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.29 7.81 6 G 7.96 4.16 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 0.00 0.00 0.00 7 K 7.86 4.53 0.00 1.79 1.74 0.00 1.69 0.00 0.00 1.98 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.40 7.81 8 I 7.98 4.32 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 0.99 0.00 0.00 9 E 8.93 4.35 0.00 1.67 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 2.34 2.20 0.00 10 F 7.35 5.21 0.00 3.09 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 11 S 8.85 5.36 0.00 3.91 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 0.00 12 K 8.71 4.47 0.00 1.84 1.64 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.36 7.81 13 Y 8.67 4.43 0.00 3.26 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 14 N 8.15 4.93 0.00 2.83 2.59 0.00 0.00 6.19 6.94 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 15 E 8.75 4.01 0.00 1.93 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 0.00 2.33 2.36 0.00 16 D 7.95 4.62 0.00 2.74 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 17 D 8.15 4.39 0.00 2.97 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 18 T 7.37 4.62 4.47 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 1.18 0.00 0.00 19 F 9.60 5.16 0.00 3.09 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 20 T 8.75 5.32 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 1.43 0.00 0.00 21 V 8.93 4.82 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 0.95 0.00 0.00 1.02 0.00 0.00 22 K 8.12 4.70 0.00 0.79 0.88 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 1.30 7.81 23 V 8.28 4.56 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 0.85 0.00 0.00 0.81 0.00 0.00 24 D 9.36 4.57 0.00 2.91 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 25 G 8.55 4.04 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 0.00 0.00 0.00 26 K 7.80 4.57 0.00 1.93 1.40 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.29 1.55 7.81 27 E 8.20 4.84 0.00 1.88 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 0.00 2.20 2.27 0.00 28 Y 9.06 5.30 0.00 2.70 2.83 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 29 W 8.74 5.77 0.00 3.54 3.24 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 30 T 9.32 4.72 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 1.24 0.00 0.00 31 S 8.87 4.83 0.00 4.15 4.27 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 32 R 7.59 4.25 0.00 1.89 1.94 0.00 3.32 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 33 W 9.25 4.37 0.00 3.31 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 34 N 8.19 4.49 0.00 2.81 2.87 0.00 0.00 6.92 7.85 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 35 L 7.55 4.16 0.00 1.95 1.70 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.73 3.22 0.00 1.81 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 1.94 2.26 0.00 37 P 0.00 4.07 0.00 2.13 2.18 0.00 3.40 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 38 L 7.61 3.93 0.00 1.83 1.50 0.88 0.47 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 39 L 7.94 4.21 0.00 1.83 1.99 1.30 0.57 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 40 L 7.83 4.13 0.00 1.86 1.67 1.15 1.03 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 41 S 8.17 4.11 0.00 4.10 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 42 A 8.11 4.11 1.63 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 0.00 0.00 43 Q 7.94 3.94 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 44 L 8.02 4.13 0.00 1.85 1.74 0.94 0.75 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 45 T 7.61 4.50 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 1.22 0.00 0.00 46 G 7.76 3.99 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 0.00 0.00 0.00 47 M 8.18 4.43 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 48 T 9.09 4.55 4.34 0.00 0.00 0.00 0.00 0.00 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 49 V 8.50 4.57 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 0.80 0.00 0.00 0.78 0.00 0.00 50 T 8.12 4.48 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 1.14 0.00 0.00 51 I 8.08 3.69 1.12 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.68 -0.39 0.00 0.00 52 K 8.06 4.93 0.00 1.54 1.65 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.40 7.81 53 S 8.89 4.36 0.00 3.69 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 54 S 9.00 4.19 0.00 3.89 3.87 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 0.00 0.00 0.00 55 T 7.58 4.53 4.50 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 0.00 0.00 0.00 1.22 0.00 0.00 56 C 8.62 4.98 0.00 2.97 3.15 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 57 E 7.95 4.24 0.00 2.11 2.10 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 2.38 2.26 0.00 58 S 8.32 3.50 0.00 3.71 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 59 G 8.61 3.96 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 0.00 0.00 0.00 60 S 7.54 4.67 0.00 3.94 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 61 G 8.02 3.15 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 62 F 8.17 5.14 0.00 3.00 2.74 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 0.00 0.00 0.00 63 A 8.54 4.44 1.17 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 0.00 0.00 64 E 8.20 4.89 0.00 2.01 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 2.23 2.28 0.00 65 V 8.33 4.77 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 0.65 0.00 0.00 0.37 0.00 0.00 66 Q 8.71 4.50 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 67 F 8.77 5.17 0.00 2.92 2.92 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 68 N 8.96 5.05 0.00 2.85 2.69 0.00 0.00 6.58 6.51 0.00 0.00 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 N 9.61 4.13 0.00 2.73 2.89 0.00 0.00 7.18 8.06 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 70 D 7.29 4.70 0.00 2.84 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