NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5824 8.1476 120.2696 55.2289 34.2906 173.6383 2 Q 4.8565 8.3998 120.4081 52.5000 31.2561 172.8941 3 I 4.6326 8.9323 117.5569 58.8581 41.9425 175.3042 4 F 5.5460 9.0594 121.2020 55.7324 42.4492 174.6898 5 V 4.8018 8.6728 121.7763 61.0151 34.3748 174.0637 6 K 4.6831 9.2815 130.5934 55.9058 33.6389 176.3654 7 T 4.8326 8.5332 118.3168 59.8913 71.3060 175.3318 8 L 3.9274 8.7375 120.9228 58.2485 41.4716 178.8280 9 T 4.1731 7.7825 105.2462 61.7948 69.4021 175.0541 10 G 4.0158 8.1218 110.9809 45.1010 0.0000 174.1857 11 K 4.0596 7.6348 120.8879 57.0552 33.2279 175.7535 12 T 5.0699 8.4987 123.8843 62.3472 70.0723 174.1259 13 I 4.5755 9.2143 120.2738 59.7494 40.6421 174.3724 14 T 4.9814 8.4360 120.1254 62.2027 70.0452 174.0723 15 L 4.8184 8.5641 125.3988 52.7435 46.0704 175.1184 16 E 4.7525 8.6912 122.2264 54.7734 31.0025 175.2430 17 V 4.7362 8.3723 119.3811 59.7343 36.1443 174.7932 18 E 4.7764 8.6341 120.4116 53.9075 32.2918 175.9236 19 P 4.2959 0.0000 0.0000 64.7546 31.5751 177.6729 20 S 4.6425 7.6640 112.3247 57.8763 64.2123 174.0358 21 D 4.3511 8.1495 122.6485 54.4486 40.7411 176.7097 22 T 4.9613 8.3511 115.7082 61.4294 70.8315 175.0936 23 I 3.8704 8.1849 120.5595 64.0239 37.1269 178.2264 24 E 3.9663 8.2176 119.2496 59.4475 29.2835 178.7784 25 N 4.2669 7.8843 116.4714 56.4299 38.7028 177.4229 26 V 3.5591 7.3989 118.8481 66.1866 31.6340 178.2562 27 K 4.3534 8.3485 119.1557 58.7521 31.7923 179.2087 28 A 4.0259 8.3433 121.6795 55.2037 18.2172 179.8972 29 K 4.2290 7.9579 118.2469 59.0150 32.0925 179.6741 30 I 3.8504 7.8199 120.2943 63.8292 36.9313 178.1276 31 Q 4.0025 8.5720 120.9902 59.4983 28.8251 177.9547 32 D 4.3324 8.0384 119.8353 57.1882 40.6118 178.5479 33 K 4.2452 7.7494 118.2352 57.4387 32.5723 176.7114 34 E 4.4309 8.3091 117.1658 54.9950 31.5100 176.5333 35 G 3.9095 8.6339 106.0892 45.2956 0.0000 172.5571 36 I 4.3878 7.3185 119.7646 58.3857 38.9045 174.0318 37 P 4.4407 0.0000 0.0000 61.6747 32.3302 175.3360 38 P 4.2339 0.0000 0.0000 65.9294 31.2504 178.2521 39 D 4.5421 8.1231 114.4082 55.1291 39.2966 176.4722 40 Q 4.4890 7.8302 117.5972 55.9913 30.2148 175.6305 41 Q 4.3616 7.9800 118.6316 55.4830 30.2755 175.1532 42 R 4.7207 8.7605 122.0473 54.3537 33.5562 174.4087 43 L 5.0431 8.5132 123.3528 53.0827 44.4419 175.2199 44 I 5.0077 8.6645 124.3940 59.4700 40.2649 174.4515 45 F 5.0222 9.0173 128.5606 56.9008 42.7855 174.3936 46 A 3.4754 9.2077 128.0236 53.0144 15.9142 177.8540 47 G 3.9080 8.3966 106.1479 46.7468 0.0000 174.2101 48 K 4.5272 8.0287 120.1883 54.3474 34.0098 175.0760 49 Q 4.6420 8.4682 124.7876 55.7082 29.7553 175.0915 50 L 3.9642 8.6436 127.6803 54.3957 42.5737 176.2135 51 E 4.6108 8.8668 123.0404 54.7493 31.4668 175.7856 52 D 4.4750 8.6938 124.0940 55.7104 41.4621 175.7815 53 G 4.1020 9.4913 112.9958 46.1781 0.0000 174.4516 54 R 4.4212 7.8497 119.2082 55.3783 31.6796 174.9405 55 T 5.1274 8.9285 108.1526 59.5770 71.9090 174.9885 56 L 3.9568 8.5582 122.5310 58.1795 42.1613 179.7168 57 S 4.0832 8.6707 113.6599 61.6038 62.2214 176.2935 58 D 4.2328 7.8670 118.0243 56.8145 40.4984 176.8483 59 Y 4.4673 7.7610 113.7149 57.0848 38.7975 174.5541 60 N 4.1719 8.0508 117.3323 54.6258 37.4526 174.4963 61 I 3.6361 7.7548 118.7869 60.5194 37.0196 175.9242 62 Q 4.5581 8.1878 124.2785 52.9718 31.3359 174.8219 63 K 3.9357 8.3777 119.1297 58.5730 32.2164 176.0326 64 E 4.0780 9.1426 123.3680 56.9035 28.0348 174.9186 65 S 4.5414 7.9443 116.0893 59.1767 64.2154 173.3107 66 T 5.1486 8.7426 119.8759 62.1078 70.1484 173.8366 67 L 4.8951 9.3502 127.3430 53.8543 44.1693 175.2627 68 H 5.1496 9.3104 120.3309 54.0472 31.0703 173.2203 69 L 5.0104 8.6505 126.1081 54.0579 43.3502 175.9995 70 V 4.5339 8.3819 117.3772 60.6137 36.6399 174.3689 71 L 5.1785 8.2115 123.2372 53.4859 44.1382 175.5537 72 R 4.5495 8.3668 117.6992 55.1019 32.1317 175.7705 73 L 4.5307 8.1184 123.6219 52.8682 42.3815 175.6360 74 R 4.1166 8.4175 124.8305 55.8502 30.8285 177.4391 75 G 3.7279 8.4661 110.1433 45.7571 0.0000 172.3178 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 M 8.15 4.58 0.00 1.92 2.15 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 2 Q 8.40 4.86 0.00 1.82 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 3 I 8.93 4.63 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.82 0.84 0.00 0.00 4 F 9.06 5.55 0.00 2.97 2.90 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 5 V 8.67 4.80 2.11 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 0.96 0.00 0.00 0.94 0.00 0.00 6 K 9.28 4.68 0.00 1.78 1.66 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 7 T 8.53 4.83 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 1.23 0.00 0.00 8 L 8.74 3.93 0.00 1.64 1.81 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.78 4.17 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 1.21 0.00 0.00 10 G 8.12 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 11 K 7.63 4.06 0.00 1.90 1.70 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.44 7.81 12 T 8.50 5.07 4.21 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 1.31 0.00 0.00 13 I 9.21 4.58 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 0.99 0.00 0.00 14 T 8.44 4.98 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 1.03 0.00 0.00 15 L 8.56 4.82 0.00 1.48 1.45 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 4.75 0.00 1.87 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 2.15 2.32 0.00 17 V 8.37 4.74 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 0.72 0.00 0.00 0.90 0.00 0.00 18 E 8.63 4.78 0.00 1.88 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 19 P 0.00 4.30 0.00 2.15 2.08 0.00 3.53 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 2.10 2.09 0.00 20 S 7.66 4.64 0.00 3.81 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 21 D 8.15 4.35 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 4.96 4.48 0.00 0.00 0.00 0.00 0.00 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 23 I 8.18 3.87 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.44 0.97 0.00 0.00 24 E 8.22 3.97 0.00 2.05 2.01 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 2.41 2.48 0.00 25 N 7.88 4.27 0.00 2.91 2.86 0.00 0.00 6.66 7.53 0.00 0.00 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 V 7.40 3.56 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 1.00 0.00 0.00 0.97 0.00 0.00 27 K 8.35 4.35 0.00 2.00 1.89 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.59 7.81 28 A 8.34 4.03 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 29 K 7.96 4.23 0.00 1.88 1.86 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.48 7.81 30 I 7.82 3.85 2.16 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 0.92 0.00 0.00 31 Q 8.57 4.00 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 32 D 8.04 4.33 0.00 2.74 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 33 K 7.75 4.25 0.00 1.90 1.83 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 34 E 8.31 4.43 0.00 2.05 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 2.21 2.26 0.00 35 G 8.63 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 0.00 0.00 0.00 36 I 7.32 4.39 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.18 1.96 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.23 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.12 4.54 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.83 4.49 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 41 Q 7.98 4.36 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 42 R 8.76 4.72 0.00 1.89 1.90 0.00 3.09 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.51 5.04 0.00 1.51 1.54 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.66 5.01 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.69 0.94 0.00 0.00 45 F 9.02 5.02 0.00 2.97 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 46 A 9.21 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.40 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 0.00 0.00 0.00 48 K 8.03 4.53 0.00 1.96 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.37 7.81 49 Q 8.47 4.64 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 50 L 8.64 3.96 0.00 1.52 1.45 0.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.87 4.61 0.00 2.07 1.92 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 2.36 2.47 0.00 52 D 8.69 4.47 0.00 2.68 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 53 G 9.49 4.10 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 0.00 0.00 0.00 54 R 7.85 4.42 0.00 1.98 1.97 0.00 3.20 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 55 T 8.93 5.13 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 1.24 0.00 0.00 56 L 8.56 3.96 0.00 1.89 1.72 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.67 4.08 0.00 3.95 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 58 D 7.87 4.23 0.00 2.61 2.29 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 59 Y 7.76 4.47 0.00 2.92 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 60 N 8.05 4.17 0.00 2.95 3.09 0.00 0.00 7.16 7.48 0.00 0.00 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 I 7.75 3.64 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.17 0.62 0.00 0.00 62 Q 8.19 4.56 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.95 0.00 0.00 0.00 0.00 0.00 2.55 2.31 0.00 63 K 8.38 3.94 0.00 1.69 1.75 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.52 7.81 64 E 9.14 4.08 0.00 2.26 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 0.00 2.48 2.36 0.00 65 S 7.94 4.54 0.00 3.86 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 66 T 8.74 5.15 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 1.18 0.00 0.00 67 L 9.35 4.90 0.00 1.62 1.59 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.31 5.15 0.00 3.10 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.65 5.01 0.00 1.64 1.71 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.38 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 0.58 0.00 0.00 0.94 0.00 0.00 71 L 8.21 5.18 0.00 1.62 1.63 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.37 4.55 0.00 1.77 1.82 0.00 3.15 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 73 L 8.12 4.53 0.00 1.54 1.57 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.42 4.12 0.00 1.84 1.85 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 75 G 8.47 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