NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3356 8.1744 110.9435 61.2532 70.6861 173.5403 6 N 4.7366 7.9185 120.3913 53.1509 39.2573 173.2250 7 S 4.4892 8.7739 113.2429 57.5468 64.8748 173.1508 8 D 4.8764 8.5622 121.6237 54.7355 41.9785 175.1833 9 F 5.2694 7.9609 114.1091 55.5645 41.7007 173.8811 10 V 4.5845 8.8624 111.6633 59.4821 35.6338 174.9702 11 V 4.9056 8.7359 123.4914 61.2736 33.9499 174.3427 12 I 4.9482 8.9353 128.6939 59.3355 40.4815 174.1618 13 K 5.0091 9.1039 128.6685 54.3027 34.5001 175.0068 14 A 4.4462 8.8232 130.1899 52.1938 19.1830 177.4738 15 L 4.7068 8.9059 121.6840 54.5964 42.8196 175.8391 16 E 4.6996 7.7293 115.5950 54.5808 32.6938 174.3492 17 D 4.4191 8.3710 118.9818 55.5385 41.3570 176.8976 18 G 3.8660 8.3966 110.0287 45.8406 0.0000 173.9461 19 V 3.9165 7.5971 119.4380 62.8675 32.9409 174.3699 20 N 5.3872 9.2541 124.6581 51.4276 41.7380 173.4926 21 V 4.5431 8.6574 124.2439 61.3796 33.7335 174.1448 22 I 4.5554 8.4341 130.0684 59.3940 39.3341 175.1944 23 G 4.0829 8.8007 115.5007 45.3999 0.0000 172.4116 24 L 5.4434 8.7511 126.0049 53.1544 43.9258 176.3432 25 T 4.4896 8.7790 114.5777 61.8176 69.2980 174.2256 26 R 4.3240 7.9503 126.0687 56.6862 29.7307 175.3464 27 G 3.7442 8.7984 109.7147 44.1287 0.0000 173.8850 28 A 4.1152 8.5770 121.6607 54.2959 18.6684 177.5692 29 D 4.8570 7.2378 112.7575 53.3349 42.5027 176.5553 30 T 4.5461 8.1911 121.4476 61.1287 69.1646 172.6163 31 R 4.7222 8.8554 122.7996 53.8121 33.6796 174.4366 32 F 5.4399 8.6315 117.7280 57.4285 39.2615 175.8208 33 H 4.9731 9.0907 118.4648 56.4999 30.4801 174.2192 34 H 4.8710 7.6849 117.4993 54.7940 33.4399 171.9371 35 S 4.7906 8.1703 118.8331 56.3959 64.7128 172.3837 36 E 4.4237 9.1818 129.4032 54.9733 31.0757 174.6604 37 K 4.8528 8.6058 126.6029 55.2051 33.4264 175.7757 38 L 4.9071 8.8894 125.7926 53.2711 44.3317 175.9957 39 D 4.8792 9.0561 122.5516 52.4670 43.3154 176.0193 40 K 4.0703 8.5367 121.9398 58.5900 32.3058 176.7951 41 G 4.0675 9.0399 115.6308 45.2271 0.0000 173.5087 42 E 4.3256 8.2003 119.4280 56.0542 30.9131 175.9505 43 V 4.9823 8.2997 122.0541 61.0036 34.3566 174.2644 44 L 4.7568 8.9762 129.3184 53.2634 44.8773 174.7736 45 I 5.0270 8.4740 126.4777 59.5317 39.3482 174.8583 46 A 4.6366 8.8429 128.5692 50.2543 22.0948 175.4475 47 Q 4.7863 8.6659 121.3215 55.0817 30.3557 175.7930 48 F 4.7712 8.4603 120.2068 57.9533 39.9275 175.1896 49 T 4.6976 8.8505 111.3750 60.1214 71.9796 173.0941 50 E 4.0128 8.9865 121.3829 59.6331 29.5472 177.4874 51 H 4.5239 8.1531 114.1225 56.7132 29.7255 174.3235 52 T 5.5710 8.3743 116.4800 60.9515 70.8956 174.5503 53 S 4.9220 9.0594 119.7843 58.0725 65.0909 173.3019 54 A 5.0374 7.9167 121.5120 51.0370 22.6360 175.0855 55 I 4.9737 8.5217 120.3309 59.3539 40.8795 174.6988 56 K 4.5942 8.8554 127.6564 54.4714 34.9483 174.6290 57 V 4.7144 8.4216 126.5526 61.2039 33.6523 174.4930 58 R 4.5337 9.0963 127.5366 55.4449 32.7002 176.0602 59 G 3.9630 8.9984 109.0726 43.9318 0.0000 172.5195 60 K 4.5169 9.3719 120.6600 56.1335 32.9324 175.6236 61 A 5.1319 8.7736 127.9452 50.8399 23.4728 173.5492 62 Y 5.1660 9.0265 120.8591 55.9802 41.3778 174.6544 63 I 4.9359 8.2830 126.8002 59.5182 41.1413 174.1900 64 Q 4.9993 8.9375 126.0370 54.2970 31.7887 174.9164 65 T 4.7081 8.4868 112.6683 59.5533 72.5271 174.6235 66 R 3.7441 8.5438 120.7975 59.4337 29.8549 176.4942 67 H 4.7070 8.8616 112.4448 55.5925 29.7104 175.7452 68 G 3.6784 6.2538 106.7813 44.5711 0.0000 172.6679 69 V 4.7937 7.5769 113.5053 59.9737 34.9909 174.9697 70 I 4.3867 8.0006 120.5197 60.2960 41.9658 172.7264 71 E 5.2981 8.6525 126.0510 54.4836 31.8753 176.1989 72 S 4.5678 8.8763 119.4379 58.1031 64.9967 172.9231 73 E 4.8385 8.6094 119.7634 54.5126 32.8705 176.2956 74 G 3.7307 8.6708 110.9803 45.8057 0.0000 173.5186 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 5 T 8.17 4.34 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 6 N 7.92 4.74 0.00 2.80 2.85 0.00 0.00 7.08 6.75 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 7 S 8.77 4.49 0.00 4.12 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 8 D 8.56 4.88 0.00 2.82 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 9 F 7.96 5.27 0.00 2.99 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 10 V 8.86 4.58 2.00 0.00 0.00 0.00 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 0.80 0.00 0.00 11 V 8.74 4.91 2.13 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 1.18 0.00 0.00 1.17 0.00 0.00 12 I 8.94 4.95 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 0.91 0.00 0.00 13 K 9.10 5.01 0.00 1.90 1.81 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.82 4.45 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.91 4.71 0.00 1.64 1.71 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.73 4.70 0.00 2.02 1.89 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 2.34 2.33 0.00 17 D 8.37 4.42 0.00 2.69 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 18 G 8.40 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 19 V 7.60 3.92 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 1.07 0.00 0.00 1.00 0.00 0.00 20 N 9.25 5.39 0.00 2.60 2.58 0.00 0.00 6.35 7.22 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 21 V 8.66 4.54 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 0.84 0.00 0.00 0.89 0.00 0.00 22 I 8.43 4.56 1.40 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.37 -0.45 0.00 0.00 23 G 8.80 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 24 L 8.75 5.44 0.00 1.91 1.71 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.78 4.49 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 26 R 7.95 4.32 0.00 1.90 1.98 0.00 3.26 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.80 3.74 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 0.00 0.00 0.00 28 A 8.58 4.12 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 0.00 0.00 0.00 0.00 0.00 29 D 7.24 4.86 0.00 2.63 2.58 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 0.00 0.00 0.00 0.00 30 T 8.19 4.55 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 1.28 0.00 0.00 31 R 8.86 4.72 0.00 1.81 2.01 0.00 2.78 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 32 F 8.63 5.44 0.00 2.93 2.87 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 33 H 9.09 4.97 0.00 3.14 3.50 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.68 4.87 0.00 3.28 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.17 4.79 0.00 3.72 3.58 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 0.00 0.00 0.00 0.00 36 E 9.18 4.42 0.00 2.13 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 2.25 2.32 0.00 37 K 8.61 4.85 0.00 1.64 1.72 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.49 7.81 38 L 8.89 4.91 0.00 1.55 1.55 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.06 4.88 0.00 2.59 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 40 K 8.54 4.07 0.00 1.73 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.31 7.81 41 G 9.04 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 42 E 8.20 4.33 0.00 2.04 1.87 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 2.32 2.34 0.00 43 V 8.30 4.98 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 0.84 0.00 0.00 0.96 0.00 0.00 44 L 8.98 4.76 0.00 1.74 1.45 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 5.03 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.68 0.00 0.00 46 A 8.84 4.64 1.12 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 0.00 0.00 47 Q 8.67 4.79 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 48 F 8.46 4.77 0.00 3.05 2.97 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 49 T 8.85 4.70 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 1.29 0.00 0.00 50 E 8.99 4.01 0.00 1.92 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 1.99 2.26 0.00 51 H 8.15 4.52 0.00 3.22 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.37 5.57 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 53 S 9.06 4.92 0.00 3.82 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 54 A 7.92 5.04 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 0.00 0.00 0.00 0.00 0.00 55 I 8.52 4.97 1.87 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.84 0.00 0.00 56 K 8.86 4.59 0.00 1.81 1.49 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 57 V 8.42 4.71 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.10 4.53 0.00 1.73 1.79 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 59 G 9.00 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 K 9.37 4.52 0.00 1.84 1.72 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.77 5.13 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 62 Y 9.03 5.17 0.00 3.02 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 63 I 8.28 4.94 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.56 0.82 0.00 0.00 64 Q 8.94 5.00 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 65 T 8.49 4.71 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 1.15 0.00 0.00 66 R 8.54 3.74 0.00 1.57 1.72 0.00 3.27 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 H 8.86 4.71 0.00 3.20 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.25 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 0.00 0.00 0.00 69 V 7.58 4.79 1.79 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 0.70 0.00 0.00 0.98 0.00 0.00 70 I 8.00 4.39 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.25 0.84 0.00 0.00 71 E 8.65 5.30 0.00 1.91 1.88 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 2.52 2.47 0.00 72 S 8.88 4.57 0.00 3.92 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 73 E 8.61 4.84 0.00 1.83 1.85 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 2.21 2.29 0.00 74 G 8.67 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 0.00 0.00 0.00