NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5145 8.0976 117.4210 56.4560 32.4401 173.4682 2 T 4.9129 8.3843 107.2772 60.2419 72.3891 171.4402 3 C 5.2938 9.6697 120.6955 55.3165 41.1806 174.7657 4 L 4.9040 8.8529 120.6951 54.6964 42.9864 176.0781 5 I 4.7016 7.7799 114.6152 61.0195 40.2772 175.6138 6 S 3.3595 8.8727 113.6263 56.9681 63.5850 172.9757 7 P 4.1840 0.0000 0.0000 66.9125 31.5939 177.1062 8 S 4.2534 7.9131 111.7472 58.5232 64.3080 174.0240 9 S 3.6209 8.0854 117.1936 59.9942 60.3655 169.6270 10 T 4.7820 7.0818 110.7225 59.2867 72.9439 172.4835 11 P 5.3969 0.0000 0.0000 61.9072 32.9516 175.6833 12 Q 4.5961 8.6079 119.2668 55.2404 32.5631 173.5362 13 T 4.8868 8.2985 117.7643 62.2540 69.5054 175.4944 14 C 4.5211 8.8849 124.6798 56.8590 36.4075 171.3912 15 P 4.7623 0.0000 0.0000 60.2765 33.4089 174.5606 16 N 4.5646 8.3629 116.7757 54.6400 37.7924 173.6234 17 G 4.1795 9.1581 109.0051 46.0408 0.0000 172.9792 18 Q 5.3697 7.7219 118.9612 53.8355 27.1312 174.8018 19 D 4.6830 8.1194 119.4467 53.4024 41.0806 177.3318 20 I 4.6434 7.4970 121.0314 59.7502 40.7121 175.3085 21 C 5.3694 8.7814 123.4839 55.8550 43.6154 172.6349 22 F 5.5762 8.3740 115.3130 55.4064 41.4871 173.0948 23 L 5.0293 9.1971 121.0209 53.3035 45.1564 174.9190 24 K 4.8848 9.2860 127.4158 54.5571 35.4233 174.5453 25 A 5.0530 9.1323 130.6451 50.6462 19.7223 175.3459 26 Q 5.1063 9.5909 120.6474 55.4822 32.2576 173.9674 27 C 4.9623 8.7801 118.5218 55.7823 40.0877 173.8685 28 D 4.6903 8.5017 123.3007 51.4629 41.0510 176.8412 29 K 4.2244 8.6811 119.4905 58.7211 32.3988 176.7032 30 F 4.9268 8.1130 117.4406 57.3975 40.1029 178.0767 31 C 4.5217 8.8360 121.9018 59.2145 43.4874 175.7848 32 S 3.9929 8.1634 112.1520 60.6938 62.3442 174.9613 33 I 4.3071 7.6972 119.4410 62.1941 38.8341 176.8790 34 R 4.0346 7.8523 118.8134 58.5285 30.3204 176.2458 35 G 4.0235 7.7286 101.9450 42.3798 0.0000 171.3572 36 P 4.5914 0.0000 0.0000 62.7535 32.5248 176.3028 37 V 4.1997 9.6120 121.9914 61.6828 32.4945 174.9461 38 I 4.6794 8.2857 129.0959 60.9850 38.7549 175.8265 39 E 4.5270 8.9968 126.6343 55.7794 32.7553 173.7907 40 Q 5.1046 9.0539 125.6837 52.6753 32.9752 176.6685 41 G 4.1376 6.5758 105.8127 46.2639 0.0000 171.8987 42 C 4.9367 8.3741 120.9316 55.9753 35.0676 173.3980 43 V 4.5314 8.9354 124.7676 60.0174 33.4316 176.2222 44 A 5.1625 8.3278 120.9001 52.2464 20.0120 176.5025 45 T 4.6619 7.5077 110.2377 62.1725 72.7872 173.2155 46 C 4.6756 8.4924 122.4428 53.9602 44.2959 171.3853 47 P 4.3231 0.0000 0.0000 62.8223 31.1127 176.1722 48 Q 4.0030 8.6935 121.5358 56.0457 29.0489 176.8029 49 F 4.5290 8.7635 124.1086 58.2769 38.2967 174.2595 50 R 3.7790 7.5998 126.8989 55.1950 30.5189 177.9814 51 S 3.9387 8.5363 117.2994 61.4353 62.5038 174.8311 52 N 4.4979 7.7323 114.5999 53.5857 37.1338 173.7506 53 Y 5.1081 6.9847 116.8463 57.0695 39.5158 175.5780 54 R 4.5330 9.0072 122.6922 56.2443 30.9613 176.3131 55 S 5.8121 7.1419 119.3801 58.6804 64.4148 175.3711 56 L 5.2411 8.4510 123.2952 53.4625 45.3678 175.5143 57 L 4.6188 8.4235 125.3496 54.0745 45.5506 173.9247 58 C 5.6358 8.9320 123.6514 55.3180 38.4732 172.5329 59 C 5.0547 9.0368 118.4767 54.0226 44.9488 173.6418 60 T 4.4106 8.4682 113.8134 60.3981 67.9827 173.6995 61 T 4.1585 7.5656 122.5293 63.3990 72.1889 172.6263 62 D 4.6663 8.7968 125.1417 55.7137 41.4172 175.7623 63 N 4.2590 8.9948 119.7800 54.3203 36.8372 173.4804 64 C 4.5180 7.9072 115.0521 57.9479 42.4698 174.5356 65 N 4.6938 7.8581 118.8475 52.3203 34.6494 174.4949 66 H 4.4327 7.6557 119.9622 56.5931 28.6548 174.1901 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 R 8.10 4.51 0.00 2.04 2.16 0.00 2.94 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 2 T 8.38 4.91 4.22 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 0.00 0.00 0.00 1.22 0.00 0.00 3 C 9.67 5.29 0.00 2.78 2.85 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 4 L 8.85 4.90 0.00 1.71 1.53 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.78 4.70 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.99 0.84 0.00 0.00 6 S 8.87 3.36 0.00 3.94 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.02 2.10 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 8 S 7.91 4.25 0.00 3.96 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 9 S 8.09 3.62 0.00 3.93 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 10 T 7.08 4.78 4.22 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 0.00 0.00 0.00 1.24 0.00 0.00 11 P 0.00 5.40 0.00 1.93 1.98 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.16 0.00 12 Q 8.61 4.60 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 13 T 8.30 4.89 4.23 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 1.21 0.00 0.00 14 C 8.88 4.52 0.00 2.93 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 15 P 0.00 4.76 0.00 2.17 1.98 0.00 3.70 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 16 N 8.36 4.56 0.00 2.83 2.83 0.00 0.00 6.22 7.00 0.00 0.00 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 G 9.16 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.72 5.37 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 19 D 8.12 4.68 0.00 2.79 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 20 I 7.50 4.64 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.98 0.00 0.00 21 C 8.78 5.37 0.00 3.02 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 22 F 8.37 5.58 0.00 3.21 3.12 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 23 L 9.20 5.03 0.00 1.73 1.55 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.29 4.88 0.00 1.62 1.78 0.00 0.86 0.00 0.00 1.07 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.05 0.42 7.81 25 A 9.13 5.05 1.27 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 0.00 0.00 26 Q 9.59 5.11 0.00 2.47 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 27 C 8.78 4.96 0.00 3.04 3.09 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 28 D 8.50 4.69 0.00 2.80 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 29 K 8.68 4.22 0.00 1.87 2.11 0.00 2.24 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.97 1.62 7.81 30 F 8.11 4.93 0.00 3.18 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 31 C 8.84 4.52 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 32 S 8.16 3.99 0.00 4.01 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 33 I 7.70 4.31 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 0.94 0.00 0.00 34 R 7.85 4.03 0.00 2.18 2.00 0.00 3.39 0.00 0.00 3.49 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 35 G 7.73 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 0.00 0.00 0.00 36 P 0.00 4.59 0.00 2.12 2.11 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 37 V 9.61 4.20 2.26 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 0.97 0.00 0.00 0.95 0.00 0.00 38 I 8.29 4.68 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.56 0.92 0.00 0.00 39 E 9.00 4.53 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 2.70 2.45 0.00 40 Q 9.05 5.10 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 41 G 6.58 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.37 4.94 0.00 2.97 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 43 V 8.94 4.53 2.51 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 1.22 0.00 0.00 1.02 0.00 0.00 44 A 8.33 5.16 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.51 4.66 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 1.22 0.00 0.00 46 C 8.49 4.68 0.00 2.93 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 47 P 0.00 4.32 0.00 2.13 1.94 0.00 3.43 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 48 Q 8.69 4.00 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.28 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 49 F 8.76 4.53 0.00 2.97 3.07 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 50 R 7.60 3.78 0.00 0.67 1.25 0.00 3.07 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.36 0.00 51 S 8.54 3.94 0.00 3.70 3.81 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 52 N 7.73 4.50 0.00 2.88 2.88 0.00 0.00 6.21 7.57 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 53 Y 6.98 5.11 0.00 2.56 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.01 4.53 0.00 1.85 2.16 0.00 3.52 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 55 S 7.14 5.81 0.00 4.14 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 0.00 56 L 8.45 5.24 0.00 2.10 1.65 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.42 4.62 0.00 1.81 1.50 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.93 5.64 0.00 2.86 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 59 C 9.04 5.05 0.00 2.98 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 60 T 8.47 4.41 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 61 T 7.57 4.16 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 62 D 8.80 4.67 0.00 2.66 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 63 N 8.99 4.26 0.00 2.77 2.84 0.00 0.00 7.03 7.62 0.00 0.00 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 C 7.91 4.52 0.00 3.04 3.29 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 65 N 7.86 4.69 0.00 2.84 2.87 0.00 0.00 5.79 7.90 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 66 H 7.66 4.43 0.00 3.21 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00