NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2879 8.1933 115.2930 59.3113 62.3249 172.8203 2 R 3.4823 8.4072 123.4557 55.8952 27.7970 172.4701 3 V 3.8301 7.6154 113.9405 61.3285 30.7335 176.3373 4 C 4.0217 8.2769 125.9933 59.9394 31.2308 173.0584 5 Q 3.8505 7.2897 120.1296 57.4528 29.0824 174.7767 6 V 3.7349 8.0447 119.1504 64.7414 32.4023 177.7459 7 T 4.3917 7.9137 108.7775 59.5022 69.0853 174.1953 8 G 4.1432 8.2211 108.5547 46.3582 0.0000 173.9565 9 K 4.1317 7.4689 117.2365 56.2128 32.5946 176.7282 10 R 4.9074 8.0983 120.5094 53.1265 34.0191 173.3039 11 P 4.3511 0.0000 0.0000 63.3361 31.5501 175.9786 12 V 4.6348 8.3286 116.8817 59.4026 34.6937 175.0689 13 T 4.5848 8.6308 115.1628 61.3307 69.7652 173.8964 14 G 4.8789 8.7163 115.3878 44.7473 0.0000 170.3895 15 N 5.2490 8.8766 116.5022 51.5555 41.3203 174.5131 16 N 4.1364 8.5498 119.8660 55.0323 38.4802 174.4193 17 R 3.6599 8.0207 127.1180 56.2784 26.7056 176.4278 18 S 4.3942 7.8777 118.1612 57.1317 64.9029 174.1566 19 H 4.2685 8.1987 116.6489 56.7633 28.9063 177.1624 20 A 3.8313 9.0154 121.9652 51.9979 17.3857 178.0383 21 L 3.7961 7.8595 113.5895 56.2214 39.0711 174.5033 22 N 4.6083 7.7966 115.8271 52.9757 39.3345 174.5750 23 A 4.6314 8.5562 127.2755 51.4106 19.9641 176.7448 24 T 4.4186 8.4045 112.7978 60.9035 71.6552 173.0145 25 K 4.5797 7.7567 124.6922 53.2741 31.5711 175.9951 26 R 4.1505 8.7516 122.2917 55.1875 31.7241 172.8367 27 R 3.8983 8.0090 125.5977 55.5944 29.0587 175.3054 28 F 4.5527 8.7493 124.4588 56.9587 40.0978 174.9072 29 L 4.7581 8.0023 120.8640 54.6535 42.5468 172.4182 30 P 4.6582 0.0000 0.0000 61.4564 32.8092 175.8410 31 N 4.6550 8.4754 118.0943 51.8572 36.5929 173.2594 32 L 5.0976 8.3219 123.5956 52.7210 43.7113 177.7397 33 H 4.7042 8.4497 120.3628 54.4819 28.2728 172.7180 34 S 3.6069 8.1641 118.9584 59.6551 62.4636 171.3809 35 H 4.2358 7.5694 115.0421 55.6916 33.9662 173.2977 36 R 4.6752 8.5135 125.6219 55.9609 30.8682 175.8774 37 F 5.1298 9.8885 123.1234 55.6199 42.1898 174.2650 38 W 5.3060 9.1350 131.4454 56.4941 31.3454 176.0156 39 V 3.8094 6.8070 118.5955 60.4305 33.2435 176.2514 40 E 3.0572 5.9000 123.1719 57.2441 27.1673 175.9874 41 S 3.7775 7.0147 111.1213 63.0591 63.3171 175.3908 42 E 3.9318 7.6807 124.1323 56.7797 30.1654 176.6119 43 K 3.4361 7.6343 118.0428 56.9751 30.4379 174.4931 44 R 4.9654 7.0173 111.5725 55.0973 33.3972 173.5976 45 F 5.4192 8.9591 118.6133 57.0023 40.0401 175.7949 46 V 4.5220 9.0023 117.9207 59.8634 33.7145 174.8830 47 T 4.8617 8.7029 120.9674 61.4442 67.0374 173.8682 48 L 4.8132 9.1151 127.8140 53.0073 46.2543 175.6422 49 R 4.2598 9.0027 122.7846 56.9894 30.3255 175.7099 50 V 4.9665 8.5261 117.6127 58.4561 36.2366 174.5087 51 S 5.3990 8.5862 113.9218 55.3886 65.5896 173.1345 52 A 4.2508 8.2043 123.0186 52.8831 19.0179 177.4302 53 K 4.3057 9.0075 125.9671 57.8538 32.0597 178.2861 54 G 3.9566 7.8085 103.6152 46.2065 0.0000 174.1287 55 M 4.4950 7.8398 120.1883 57.1082 33.2172 177.9298 56 R 4.1764 8.3919 118.6476 58.6992 30.4361 178.3722 57 V 3.8047 8.6523 120.1104 64.5966 31.4628 177.8751 58 I 3.9782 7.4530 117.1375 62.3350 36.9675 176.8318 59 D 4.5948 8.2274 120.4212 55.5828 40.7558 176.6405 60 K 4.2820 7.8442 119.3566 56.0436 32.9261 177.2632 61 K 3.9939 8.2763 120.0555 59.7758 33.2582 177.0286 62 G 4.0826 8.8080 106.2140 44.0175 0.0000 173.8858 63 I 3.2748 7.9996 116.0229 64.9434 37.5487 177.5979 64 D 4.3578 7.7815 120.0347 56.6739 40.9842 178.6265 65 T 3.8078 7.9101 115.7740 66.9787 68.2070 176.4844 66 V 4.0072 7.9529 120.3228 64.7220 31.5905 177.0801 67 L 4.3515 7.7844 117.6959 54.0678 41.7558 178.2603 68 A 4.1351 7.9322 122.7580 56.6619 18.8046 179.0583 69 E 4.2496 8.1114 115.8867 57.2772 30.2211 174.8823 70 L 3.9179 8.4249 119.7812 56.9089 39.9334 176.8174 71 R 3.8035 7.7214 117.6109 58.8915 30.4474 177.9355 72 A 4.3661 7.4596 117.0924 53.1650 18.1696 177.7162 73 R 4.4534 8.1100 113.1954 54.7350 33.0890 174.5748 74 G 3.5202 7.6191 104.3455 46.5635 0.0000 175.0723 75 E 4.6003 7.3752 117.0606 55.9141 30.3741 177.5010 76 K 3.2554 8.4387 120.1796 57.6163 33.6156 175.3628 77 Y 4.0549 8.4744 113.4216 57.8993 39.1927 169.9583 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 S 8.19 4.29 0.00 3.88 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 2 R 8.41 3.48 0.00 2.01 2.03 0.00 3.45 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 3 V 7.62 3.83 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 0.77 0.00 0.00 0.99 0.00 0.00 4 C 8.28 4.02 0.00 3.09 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 5 Q 7.29 3.85 0.00 2.55 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 6 V 8.04 3.73 2.02 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 0.94 0.00 0.00 0.89 0.00 0.00 7 T 7.91 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 8 G 8.22 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 9 K 7.47 4.13 0.00 1.95 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 10 R 8.10 4.91 0.00 1.75 1.80 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 11 P 0.00 4.35 0.00 2.20 2.11 0.00 3.74 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 2.01 2.01 0.00 12 V 8.33 4.63 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 0.91 0.00 0.00 1.02 0.00 0.00 13 T 8.63 4.58 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 1.23 0.00 0.00 14 G 8.72 4.88 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 15 N 8.88 5.25 0.00 2.63 2.72 0.00 0.00 6.79 8.00 0.00 0.00 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 N 8.55 4.14 0.00 2.76 2.79 0.00 0.00 7.02 7.54 0.00 0.00 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 R 8.02 3.66 0.00 1.98 2.00 0.00 3.38 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 18 S 7.88 4.39 0.00 3.98 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 19 H 8.20 4.27 0.00 3.28 3.29 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 9.02 3.83 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.86 3.80 0.00 1.81 1.85 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.80 4.61 0.00 2.69 2.77 0.00 0.00 6.95 7.42 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 23 A 8.56 4.63 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 24 T 8.40 4.42 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 1.20 0.00 0.00 25 K 7.76 4.58 0.00 1.67 1.75 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.45 7.81 26 R 8.75 4.15 0.00 1.62 1.96 0.00 2.68 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 0.00 27 R 8.01 3.90 0.00 1.94 1.95 0.00 3.22 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 28 F 8.75 4.55 0.00 3.17 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 29 L 8.00 4.76 0.00 1.72 1.64 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.66 0.00 2.21 2.10 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 31 N 8.48 4.65 0.00 3.05 3.10 0.00 0.00 5.92 6.67 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 32 L 8.32 5.10 0.00 1.63 1.61 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.45 4.70 0.00 3.21 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.16 3.61 0.00 4.04 3.90 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 35 H 7.57 4.24 0.00 3.17 2.92 0.00 5.77 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.51 4.68 0.00 1.49 1.83 0.00 3.13 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 37 F 9.89 5.13 0.00 3.08 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 38 W 9.14 5.31 0.00 3.39 3.05 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 0.00 0.00 0.00 0.00 39 V 6.81 3.81 1.83 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 0.64 0.00 0.00 0.62 0.00 0.00 40 E 5.90 3.06 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 1.81 2.14 0.00 41 S 7.01 3.78 0.00 3.70 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 42 E 7.68 3.93 0.00 1.88 1.91 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 2.30 2.29 0.00 43 K 7.63 3.44 0.00 1.84 1.87 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.22 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.54 7.81 44 R 7.02 4.97 0.00 2.02 2.06 0.00 3.11 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 45 F 8.96 5.42 0.00 3.10 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 46 V 9.00 4.52 2.18 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 0.92 0.00 0.00 1.04 0.00 0.00 47 T 8.70 4.86 4.28 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 1.29 0.00 0.00 48 L 9.12 4.81 0.00 1.82 1.58 0.73 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.00 4.26 0.00 1.73 1.95 0.00 3.17 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 50 V 8.53 4.97 2.28 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 1.05 0.00 0.00 1.11 0.00 0.00 51 S 8.59 5.40 0.00 3.97 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 52 A 8.20 4.25 1.29 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 53 K 9.01 4.31 0.00 1.95 1.93 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 54 G 7.81 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 55 M 7.84 4.49 0.00 2.09 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 2.76 2.70 0.00 56 R 8.39 4.18 0.00 1.81 2.08 0.00 3.06 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 57 V 8.65 3.80 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 0.69 0.00 0.00 0.91 0.00 0.00 58 I 7.45 3.98 1.89 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 0.58 0.00 0.00 59 D 8.23 4.59 0.00 2.89 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 60 K 7.84 4.28 0.00 1.74 1.69 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.38 7.81 61 K 8.28 3.99 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.47 7.81 62 G 8.81 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 63 I 8.00 3.27 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.45 0.86 0.00 0.00 64 D 7.78 4.36 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 3.81 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 1.20 0.00 0.00 66 V 7.95 4.01 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 1.05 0.00 0.00 0.86 0.00 0.00 67 L 7.78 4.35 0.00 1.66 1.55 0.67 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.93 4.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.25 0.00 2.10 1.95 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 2.40 2.39 0.00 70 L 8.42 3.92 0.00 2.21 2.02 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.72 3.80 0.00 1.69 1.93 0.00 3.09 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.41 0.00 72 A 7.46 4.37 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 73 R 8.11 4.45 0.00 1.84 1.90 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 74 G 7.62 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.38 4.60 0.00 1.99 1.94 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 2.21 2.42 0.00 76 K 8.44 3.26 0.00 1.96 1.78 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.52 7.81 77 Y 8.47 4.05 0.00 3.32 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00