NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3099 8.1593 117.3725 62.4751 69.5722 173.5138 2 P 4.2967 0.0000 0.0000 62.4425 32.4636 174.1038 3 D 4.5039 8.6614 120.7732 55.1641 41.6262 177.4723 4 C 5.0133 8.5753 116.3807 57.7622 47.9193 174.3891 5 V 4.6274 7.4355 115.6107 61.0847 33.9193 173.3990 6 T 4.9555 8.5118 118.3738 60.9355 72.5947 174.5617 7 G 4.0649 7.5652 112.8067 45.2270 0.0000 170.7897 8 K 4.7093 7.8104 118.5418 54.5962 34.3158 176.4295 9 V 3.5160 8.2797 121.4017 63.6211 31.8836 175.1838 10 E 4.2933 9.2137 129.9499 58.8825 29.6877 175.9571 11 Y 5.1152 7.1867 115.8800 55.9769 41.3810 172.8950 12 T 4.9564 8.5687 109.9818 60.0456 72.2875 173.0992 13 K 4.5197 8.1982 123.6774 55.3702 36.1064 173.8156 14 Y 4.8267 8.7342 128.7272 56.4577 40.1032 174.6577 15 N 4.9362 8.4107 123.9380 51.2667 40.7725 175.3970 16 D 4.4427 8.7056 119.1347 56.9678 41.1500 176.7641 17 D 4.7416 7.9240 116.0147 52.7640 39.5591 175.8937 18 D 4.0405 8.1337 117.3768 55.6268 38.9362 173.5450 19 T 4.3160 7.2175 108.6802 59.8780 72.1781 172.7935 20 F 5.1763 8.5869 124.1599 56.8047 42.1603 173.7951 21 T 5.1109 8.5006 123.2057 62.1775 70.6997 173.9012 22 V 4.5281 8.5511 124.8151 60.9044 34.5704 174.5506 23 K 4.3123 8.3389 129.5910 54.7751 33.3699 174.7301 24 V 4.4295 7.7263 126.7567 60.6738 34.5227 174.9050 25 G 3.8801 8.9481 116.1366 47.2080 0.0000 174.9988 26 D 4.8379 8.6372 123.4026 52.4369 40.2818 176.3016 27 K 4.1161 7.4782 119.3354 56.5019 33.3866 175.8130 28 E 4.9289 8.3763 121.5454 54.6421 29.5821 174.4954 29 L 5.1159 7.7388 124.8146 53.8905 44.6311 175.3691 30 F 5.5159 8.6713 113.4944 56.2143 41.9210 173.2225 31 T 4.1977 8.8085 112.9481 59.6465 71.1930 173.0445 32 N 4.4815 8.1336 120.7615 52.4669 38.0826 174.6507 33 R 4.3139 7.1945 118.6910 55.3788 30.7003 177.0773 34 W 4.1312 8.8387 124.2951 60.1754 28.8443 178.2303 35 N 4.4169 8.4011 115.2383 56.2400 37.8464 177.2181 36 L 4.1392 7.9879 120.4426 58.0721 41.7297 178.1593 37 Q 2.8207 8.1527 117.8352 58.5768 28.4310 178.6684 38 S 3.9330 7.8625 112.5092 62.0494 62.6477 176.5487 39 L 3.8531 7.5434 120.9007 58.2014 41.5444 179.9283 40 L 4.2728 8.2214 118.6144 57.7520 41.5101 179.3540 41 L 4.1349 7.8377 119.9824 58.3095 42.0004 179.2615 42 S 4.1691 8.3202 115.0322 61.4670 62.7379 176.5112 43 A 4.0887 8.1732 123.6360 54.9506 18.0004 179.5208 44 Q 3.9848 8.3313 118.4059 59.3914 28.9728 178.3309 45 I 3.8273 8.1455 120.6726 63.9598 37.2001 177.4892 46 T 4.4303 7.8088 108.0868 60.7876 68.9826 174.9754 47 G 3.9281 7.7688 109.0132 47.0026 0.0000 174.1010 48 M 4.3956 7.8693 118.5503 55.4732 33.2266 175.8041 49 T 4.6836 8.5495 117.0445 62.2276 70.8229 174.5851 50 V 4.7836 9.3390 120.4392 59.8432 35.3561 174.7442 51 T 4.9784 8.0626 118.5683 60.8540 71.8477 173.0091 52 I 4.5287 8.5398 127.2226 59.4709 39.4835 174.7541 53 K 4.6631 8.2634 126.9506 54.4574 32.6970 175.8286 54 T 4.6654 8.1719 118.7155 60.5071 70.3872 173.2641 55 N 4.4753 8.9156 121.9443 55.0932 39.9966 176.3589 56 A 4.5011 7.5958 123.0821 51.2281 17.8095 178.8202 57 C 4.4890 7.6044 122.8219 53.8407 38.1379 171.6706 58 H 4.5713 7.7748 117.1439 53.9532 30.3868 174.1117 59 N 4.2214 8.9096 117.5750 55.5787 38.5963 175.7312 60 G 3.9958 8.7032 111.1321 44.9469 0.0000 173.5048 61 G 4.2850 7.8608 107.7005 45.9689 0.0000 172.6323 62 G 4.1072 8.4513 106.6377 43.8962 0.0000 172.1868 63 F 5.2228 8.0411 118.2277 55.6261 40.9894 174.5729 64 S 4.4798 8.7831 110.4289 58.6420 69.3786 174.6404 65 E 4.8482 8.2624 120.3565 54.4152 32.2684 175.2115 66 V 4.6692 8.2585 122.3361 61.2264 35.4674 173.9601 67 I 4.3667 8.1800 126.5856 59.4946 39.8824 174.4156 68 F 4.9333 8.8789 126.1659 56.0009 40.4033 175.9235 69 R 4.3027 8.5444 123.5883 56.3648 30.2403 175.2285 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 T 8.16 4.31 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 1.26 0.00 0.00 2 P 0.00 4.30 0.00 2.17 2.17 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.05 0.00 3 D 8.66 4.50 0.00 2.53 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 4 C 8.58 5.01 0.00 2.95 3.13 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 0.00 5 V 7.44 4.63 1.97 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 0.59 0.00 0.00 0.88 0.00 0.00 6 T 8.51 4.96 4.19 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 1.16 0.00 0.00 7 G 7.57 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.81 4.71 0.00 1.92 1.91 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 9 V 8.28 3.52 2.12 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 0.79 0.00 0.00 0.97 0.00 0.00 10 E 9.21 4.29 0.00 1.89 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 2.56 2.36 0.00 11 Y 7.19 5.12 0.00 3.05 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 12 T 8.57 4.96 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 1.50 0.00 0.00 13 K 8.20 4.52 0.00 1.87 1.66 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.40 7.81 14 Y 8.73 4.83 0.00 3.19 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.41 4.94 0.00 2.66 2.65 0.00 0.00 6.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.71 4.44 0.00 2.65 2.73 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 17 D 7.92 4.74 0.00 2.74 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 18 D 8.13 4.04 0.00 2.98 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 19 T 7.22 4.32 4.42 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 1.20 0.00 0.00 20 F 8.59 5.18 0.00 2.92 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 21 T 8.50 5.11 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 1.28 0.00 0.00 22 V 8.55 4.53 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 0.67 0.00 0.00 1.23 0.00 0.00 23 K 8.34 4.31 0.00 1.05 0.74 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.10 1.16 7.81 24 V 7.73 4.43 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 0.79 0.00 0.00 0.81 0.00 0.00 25 G 8.95 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 0.00 0.00 0.00 26 D 8.64 4.84 0.00 2.75 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 27 K 7.48 4.12 0.00 1.85 1.68 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.46 7.81 28 E 8.38 4.93 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 29 L 7.74 5.12 0.00 1.67 1.79 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.67 5.52 0.00 3.17 3.13 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 0.00 31 T 8.81 4.20 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 0.96 0.00 0.00 32 N 8.13 4.48 0.00 2.63 2.84 0.00 0.00 5.99 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 33 R 7.19 4.31 0.00 1.76 1.86 0.00 3.25 0.00 0.00 3.05 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.59 0.00 34 W 8.84 4.13 0.00 3.43 3.37 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 35 N 8.40 4.42 0.00 2.76 2.91 0.00 0.00 7.10 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 36 L 7.99 4.14 0.00 1.77 1.71 0.86 1.08 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 37 Q 8.15 2.82 0.00 2.17 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.65 0.00 0.00 0.00 0.00 0.00 1.35 1.89 0.00 38 S 7.86 3.93 0.00 3.85 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 39 L 7.54 3.85 0.00 1.72 1.50 0.92 0.51 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 40 L 8.22 4.27 0.00 1.99 2.02 1.35 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.84 4.13 0.00 1.89 1.86 1.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.32 4.17 0.00 3.93 3.86 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 43 A 8.17 4.09 1.57 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 0.00 0.00 44 Q 8.33 3.98 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 45 I 8.15 3.83 1.90 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 1.63 0.95 0.93 0.00 0.00 46 T 7.81 4.43 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 47 G 7.77 3.93 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 0.00 0.00 0.00 48 M 7.87 4.40 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 49 T 8.55 4.68 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 50 V 9.34 4.78 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 0.79 0.00 0.00 0.91 0.00 0.00 51 T 8.06 4.98 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 52 I 8.54 4.53 1.55 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 1.02 0.47 0.00 0.00 53 K 8.26 4.66 0.00 1.62 2.03 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.13 7.81 54 T 8.17 4.67 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 55 N 8.92 4.48 0.00 2.75 2.85 0.00 0.00 6.87 7.35 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 56 A 7.60 4.50 1.32 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 0.00 0.00 0.00 57 C 7.60 4.49 0.00 2.93 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 58 H 7.77 4.57 0.00 3.35 3.33 0.00 5.74 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.91 4.22 0.00 2.75 2.88 0.00 0.00 7.10 7.65 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 60 G 8.70 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 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 0.00 0.00 0.00 0.00 62 G 8.45 4.11 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 0.00 0.00 0.00 63 F 8.04 5.22 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.78 4.48 0.00 3.78 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 65 E 8.26 4.85 0.00 2.06 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 0.00 2.28 2.26 0.00 66 V 8.26 4.67 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 0.34 0.00 0.00 1.07 0.00 0.00 67 I 8.18 4.37 1.76 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 1.14 0.95 0.89 0.00 0.00 68 F 8.88 4.93 0.00 2.91 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 69 R 8.54 4.30 0.00 1.86 1.73 0.00 3.12 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00