NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2764 8.1233 122.4561 51.7050 20.9212 175.8285 2 D 4.4142 8.4740 119.6650 53.6253 40.4058 175.6552 3 C 4.5261 9.3443 124.9721 59.1307 40.1651 174.4446 4 A 4.7086 7.2491 118.7328 50.3688 22.3997 175.1526 5 K 4.7589 9.3579 122.5740 53.5193 35.2674 176.1064 6 G 3.9651 7.9335 112.8351 46.3667 0.0000 171.4553 7 K 4.8419 8.2009 118.9288 55.7666 33.3185 177.4092 8 I 4.0748 8.1572 123.4737 61.4113 37.5374 176.1873 9 E 4.4136 9.3981 126.8877 58.9033 30.2189 176.6473 10 F 5.0283 7.3091 111.9665 56.1563 40.8457 173.1249 11 S 5.2161 8.8876 113.3807 56.9927 66.6235 173.1570 12 K 4.5005 8.2839 121.4697 55.4018 35.8248 173.8905 13 Y 4.6899 8.7158 128.8124 56.8608 39.8595 174.3410 14 N 5.0093 8.4045 123.8688 51.2672 40.9337 175.9050 15 E 4.0170 8.7422 119.9507 59.4770 29.6441 177.7979 16 D 4.6033 7.9072 116.1129 53.0978 39.4577 176.7784 17 D 3.9497 8.1236 117.9102 54.9500 39.1935 173.9910 18 T 4.1549 7.6574 111.1111 60.9510 71.2891 173.1582 19 F 5.0470 9.0189 122.7405 56.9517 43.0104 173.1364 20 T 5.3877 8.7501 122.6041 62.0346 71.3416 173.8348 21 V 4.7272 9.1248 117.8773 59.3842 36.3688 174.3392 22 K 4.6545 8.1692 124.8740 54.6355 34.0875 175.1011 23 V 4.6093 8.6554 127.4512 61.5771 34.9406 174.8801 24 D 4.3826 9.7855 126.7182 55.4198 39.4935 174.1404 25 G 3.9486 9.4205 104.0499 45.4276 0.0000 173.8420 26 K 4.5437 7.8746 118.8056 54.2943 35.9897 175.0311 27 E 4.7467 8.5121 123.1824 55.4774 31.5613 174.9415 28 Y 5.3220 9.1443 120.8239 55.9885 42.6342 174.2747 29 W 5.5735 8.8243 119.3370 55.1139 31.8804 174.1976 30 T 4.5426 9.4703 115.4294 59.1485 70.3592 174.1884 31 S 4.4159 8.5427 120.2360 57.9465 63.8206 174.2749 32 R 4.1315 7.6178 121.9708 55.6788 29.5798 177.1321 33 W 4.1230 9.0267 124.6062 60.0137 28.0825 178.2460 34 N 4.5049 8.3792 115.5748 56.0103 38.0311 176.8405 35 L 4.1463 7.9378 119.7854 56.6039 41.5973 179.1590 36 Q 2.6289 7.8333 119.2939 58.0879 28.5927 176.9061 37 P 4.2199 0.0000 0.0000 65.6386 31.4761 178.3889 38 L 3.8600 7.3692 119.4261 57.6002 41.4935 179.3895 39 L 4.3767 8.5709 119.4766 57.8840 41.6030 179.2841 40 Q 4.2477 8.4329 119.7792 59.3958 28.9792 178.5269 41 S 4.2131 8.5351 116.3313 61.3525 62.7488 176.4069 42 A 4.0885 8.2612 123.6172 55.1487 18.2226 179.3904 43 Q 3.9744 8.6629 118.6644 59.3871 29.0081 178.6236 44 L 4.1041 8.3081 119.6481 58.3436 40.4273 178.0372 45 T 4.4468 7.6545 110.8921 60.8975 67.6239 174.4064 46 G 3.8739 7.8413 107.0789 47.2444 0.0000 173.4846 47 M 4.3034 8.1446 119.8108 55.3126 33.1009 175.9751 48 T 4.3862 8.5719 122.5616 63.5925 69.9769 173.9916 49 V 4.7371 8.8352 119.0987 59.7043 35.9540 174.8358 50 T 4.7226 8.3630 119.3037 61.8003 71.2292 173.4614 51 I 3.7529 8.3172 129.0304 60.4043 38.3478 175.2760 52 K 4.8877 8.0837 126.4592 54.6951 34.4171 175.4375 53 S 4.4593 8.5508 118.2680 57.5495 65.4938 174.7117 54 S 4.3135 8.7719 118.7036 60.6745 62.8654 175.1637 55 T 4.7150 7.5907 108.1742 60.0737 71.2122 174.1988 56 C 5.0089 8.0882 119.4995 56.7137 39.2098 174.4607 57 E 4.1834 7.9718 120.1672 55.8837 29.7170 176.2695 58 S 3.8521 8.2810 116.2938 60.1611 62.6986 174.6947 59 G 4.0814 9.0588 116.3773 45.0702 0.0000 173.8661 60 S 4.5370 7.9514 116.2655 58.4220 64.2735 173.8723 61 G 2.6672 8.2506 109.1502 44.5990 0.0000 172.7169 62 F 4.9564 7.9853 114.0746 54.9873 41.5904 174.7497 63 A 4.5422 8.4074 120.5229 51.3657 20.3476 175.2822 64 E 4.9229 7.9734 118.5289 55.8072 33.2715 174.3572 65 V 4.7329 8.2540 124.0841 60.6762 34.3062 172.4702 66 Q 4.5423 8.7268 125.0980 54.3944 31.5762 174.0635 67 F 4.8329 8.8102 124.4850 56.1857 40.2560 175.1060 68 N 4.9008 9.1272 122.0917 52.0076 40.4813 175.1450 69 N 4.8025 8.5398 115.7000 53.0177 39.2605 175.2478 70 D 4.5834 8.1889 123.9284 54.9908 40.8952 176.5283 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 4.28 1.23 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 0.00 0.00 2 D 8.47 4.41 0.00 2.58 2.55 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 3 C 9.34 4.53 0.00 2.44 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 4 A 7.25 4.71 1.07 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 5 K 9.36 4.76 0.00 1.62 1.58 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.44 7.81 6 G 7.93 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 7 K 8.20 4.84 0.00 1.66 1.76 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.47 7.81 8 I 8.16 4.07 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.47 1.01 0.00 0.00 9 E 9.40 4.41 0.00 1.78 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 2.32 2.37 0.00 10 F 7.31 5.03 0.00 3.01 3.10 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 11 S 8.89 5.22 0.00 3.67 4.01 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 12 K 8.28 4.50 0.00 1.88 1.66 0.00 1.56 0.00 0.00 1.45 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.37 7.81 13 Y 8.72 4.69 0.00 3.31 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 14 N 8.40 5.01 0.00 2.81 2.58 0.00 0.00 6.69 8.28 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 15 E 8.74 4.02 0.00 1.95 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 2.37 2.36 0.00 16 D 7.91 4.60 0.00 2.66 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 17 D 8.12 3.95 0.00 2.63 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 0.00 0.00 0.00 18 T 7.66 4.15 4.49 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 0.00 0.00 0.00 1.14 0.00 0.00 19 F 9.02 5.05 0.00 2.97 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 20 T 8.75 5.39 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 1.33 0.00 0.00 21 V 9.12 4.73 2.05 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 0.91 0.00 0.00 0.95 0.00 0.00 22 K 8.17 4.65 0.00 0.79 0.85 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.14 1.23 7.81 23 V 8.66 4.61 2.05 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 0.84 0.00 0.00 0.80 0.00 0.00 24 D 9.79 4.38 0.00 2.74 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 25 G 9.42 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 0.00 0.00 0.00 26 K 7.87 4.54 0.00 1.65 1.16 0.00 1.90 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.33 7.81 27 E 8.51 4.75 0.00 1.80 1.81 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 2.08 2.19 0.00 28 Y 9.14 5.32 0.00 2.58 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 5.57 0.00 3.44 3.20 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 30 T 9.47 4.54 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 1.09 0.00 0.00 31 S 8.54 4.42 0.00 3.94 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 32 R 7.62 4.13 0.00 1.78 1.92 0.00 3.22 0.00 0.00 3.06 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 33 W 9.03 4.12 0.00 3.43 3.35 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 0.00 34 N 8.38 4.50 0.00 2.87 2.91 0.00 0.00 7.15 6.74 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 35 L 7.94 4.15 0.00 1.84 1.81 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.83 2.63 0.00 1.97 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 1.89 2.25 0.00 37 P 0.00 4.22 0.00 2.24 2.30 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 38 L 7.37 3.86 0.00 1.96 1.36 0.88 0.39 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 39 L 8.57 4.38 0.00 1.92 2.08 1.39 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.43 4.25 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 41 S 8.54 4.21 0.00 3.99 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 42 A 8.26 4.09 1.68 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 43 Q 8.66 3.97 0.00 2.30 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 44 L 8.31 4.10 0.00 1.83 1.96 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.65 4.45 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 1.34 0.00 0.00 46 G 7.84 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 0.00 0.00 0.00 47 M 8.14 4.30 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.66 0.00 48 T 8.57 4.39 4.24 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 1.20 0.00 0.00 49 V 8.84 4.74 1.69 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 0.64 0.00 0.00 0.81 0.00 0.00 50 T 8.36 4.72 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 1.11 0.00 0.00 51 I 8.32 3.75 0.98 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.19 -0.56 0.00 0.00 52 K 8.08 4.89 0.00 1.64 1.60 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.33 7.81 53 S 8.55 4.46 0.00 3.78 3.75 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 54 S 8.77 4.31 0.00 3.89 3.91 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 55 T 7.59 4.72 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 1.23 0.00 0.00 56 C 8.09 5.01 0.00 2.86 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 57 E 7.97 4.18 0.00 2.09 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 2.41 2.37 0.00 58 S 8.28 3.85 0.00 3.67 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 59 G 9.06 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 60 S 7.95 4.54 0.00 4.09 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 61 G 8.25 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 0.00 0.00 0.00 62 F 7.99 4.96 0.00 3.00 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 63 A 8.41 4.54 1.15 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 64 E 7.97 4.92 0.00 2.00 1.72 0.00 0.00 0.00 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 2.30 0.00 65 V 8.25 4.73 2.07 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 0.65 0.00 0.00 0.40 0.00 0.00 66 Q 8.73 4.54 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 67 F 8.81 4.83 0.00 3.02 3.04 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 68 N 9.13 4.90 0.00 2.68 2.94 0.00 0.00 6.98 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 69 N 8.54 4.80 0.00 2.71 2.84 0.00 0.00 6.92 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 8.19 4.58 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00