NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4385 8.3349 115.4060 58.5341 63.5693 173.4215 2 S 4.4139 7.8832 122.7460 53.6572 62.8212 171.7539 3 N 3.9410 8.1452 118.3239 54.6147 43.8629 172.9306 4 L 3.9671 8.5891 121.6444 54.5998 42.8698 173.8171 5 T 4.3486 7.2772 113.7922 62.1903 71.2038 172.9125 6 E 4.0054 8.2937 120.1272 59.3590 29.4767 178.4005 7 E 3.9249 8.0946 117.7269 60.0747 29.9748 179.0697 8 Q 3.9876 8.1621 118.4705 59.7399 28.8696 178.4669 9 I 3.4163 7.5637 119.7874 64.6025 37.2164 177.7346 10 A 4.0877 7.9858 121.1828 55.6621 18.2447 179.2635 11 E 4.0728 8.5019 115.5700 59.7559 29.5665 180.0758 12 F 4.1758 8.7356 117.2697 60.3425 38.9754 177.3565 13 K 2.5604 8.8946 119.6336 59.4050 31.7408 178.2712 14 E 3.9388 7.8448 116.5408 60.2180 29.6942 178.8604 15 A 4.2484 8.2409 120.3752 54.0600 18.4276 178.9985 16 F 4.0378 9.3179 117.3452 61.5819 39.7287 178.2229 17 A 4.0472 8.6778 120.2478 54.8283 17.8781 179.0388 18 L 3.6388 8.0245 118.8431 57.4046 41.9629 177.7227 19 F 4.5373 7.6220 113.6806 56.9978 39.8385 176.1271 20 D 4.3843 7.9726 123.1772 52.6489 38.7586 176.0903 21 K 3.7778 8.0573 123.6511 59.3002 32.9322 177.3611 22 D 4.3363 8.0621 118.1956 55.8453 41.0301 178.0608 23 N 4.2579 9.0656 114.3712 53.7543 37.8677 174.0491 24 N 4.6335 7.6980 112.0869 52.6188 38.3232 175.5259 25 G 4.4779 9.2472 109.3641 45.2035 0.0000 172.9338 26 S 6.1700 9.9842 114.1330 56.4551 66.1809 173.0558 27 I 4.6211 8.3993 115.0592 58.9412 41.5126 174.0278 28 S 4.8786 10.6057 117.8362 56.8526 63.5874 174.7805 29 S 4.1021 9.1576 121.0154 62.2611 62.6320 176.6932 30 S 3.9732 8.2124 116.7059 61.0316 61.8843 175.9031 31 E 3.7495 8.6287 121.1283 58.5135 29.2633 178.5775 32 L 3.5083 7.7735 120.4767 58.0084 42.1014 178.6836 33 A 3.9142 7.8934 120.0254 56.1074 18.0822 179.0816 34 T 3.6245 7.0980 111.9998 66.2015 68.4235 176.9466 35 V 3.4332 6.9246 113.7938 65.0700 31.4705 178.3018 36 M 4.0809 7.8215 117.0642 58.9813 32.2091 178.3894 37 R 4.8850 7.8446 118.6199 58.3590 30.0390 179.2873 38 S 4.1812 8.0416 115.2268 61.4120 62.8572 176.1966 39 L 4.1111 7.5232 120.7033 56.6710 41.3238 176.5758 40 G 3.6917 6.6524 107.9660 45.3550 0.0000 173.0019 41 L 4.8326 7.6484 119.4521 54.1487 43.8107 175.4712 42 S 5.0517 7.9145 108.7857 57.2489 63.4484 174.1629 43 P 4.6513 0.0000 0.0000 61.8553 32.7076 176.3279 44 S 4.7916 8.3426 112.8623 56.3149 67.8695 173.7173 45 E 3.8132 8.8361 121.5041 59.9026 29.0918 178.4173 46 A 3.9688 8.0046 119.5991 55.5852 18.4805 178.9101 47 E 3.8918 7.9443 117.3941 59.5050 29.5723 179.3451 48 V 3.5621 8.0394 118.4352 65.8761 31.5802 177.1465 49 N 4.2064 8.2480 116.3831 57.1968 38.7730 176.2634 50 D 4.3619 7.9433 119.3206 57.2809 40.6804 178.6773 51 L 4.3493 7.6914 119.7577 57.5053 41.3847 179.4106 52 M 4.2085 8.5262 118.7491 58.6703 31.8671 178.4445 53 N 4.5856 8.2432 115.3884 56.3296 38.8838 176.3208 54 E 4.3485 8.0935 117.6553 57.0729 29.5369 177.3816 55 I 4.3721 8.9280 117.0960 62.2944 42.0432 175.0668 56 D 4.3292 8.1298 118.1640 54.9924 41.1341 176.2696 57 V 4.1431 8.0834 124.4351 62.4677 32.8028 174.8832 58 D 4.1832 7.2158 125.3000 53.4066 47.3800 176.2046 59 G 3.8022 8.1519 110.9970 45.0052 0.0000 173.3451 60 N 4.8072 7.5258 118.9409 51.3775 41.5978 173.3341 61 H 4.4962 7.9856 114.7728 55.4790 31.3064 173.2539 62 Q 4.6177 8.6827 118.6262 54.4247 29.1088 176.0035 63 I 4.1299 9.2174 126.9556 61.1501 38.9005 174.8459 64 E 5.2340 9.5956 125.4014 54.3319 31.8918 176.5081 65 F 2.6801 8.5018 128.6710 61.2723 39.4140 176.6423 66 S 4.0125 7.5308 116.7632 59.3562 62.2224 175.5207 67 E 3.9035 8.4261 122.2975 60.2440 29.5283 178.9604 68 F 4.3597 8.4829 121.4269 61.7640 39.4309 177.2946 69 L 3.3875 7.2359 117.2222 57.3094 41.2566 179.1041 70 A 3.8919 7.8382 120.1498 54.5405 18.1298 178.6616 71 L 4.3863 7.6973 116.3310 56.8962 42.9943 178.3308 72 M 3.6593 8.1500 118.4558 58.8575 31.7440 178.0904 73 S 4.1597 7.6253 112.3895 60.3396 63.1168 175.3812 74 R 4.2140 8.7161 122.1545 56.5625 31.2805 175.8084 75 Q 4.6261 7.6448 114.3864 56.4294 31.1244 173.0417 76 L 4.6170 7.5662 119.8708 53.8879 44.9147 175.9410 77 K 4.1920 8.8942 124.2674 57.0952 32.2297 174.8712 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 8.33 4.44 0.00 3.92 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 2 S 7.88 4.41 0.00 3.89 3.79 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 3 N 8.15 3.94 0.00 2.59 2.64 0.00 0.00 7.21 7.77 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 4 L 8.59 3.97 0.00 1.62 1.44 0.53 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.28 4.35 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 1.18 0.00 0.00 6 E 8.29 4.01 0.00 1.96 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 2.37 2.33 0.00 7 E 8.09 3.92 0.00 1.98 2.07 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 2.42 2.36 0.00 8 Q 8.16 3.99 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.11 2.50 0.00 9 I 7.56 3.42 1.99 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 0.94 0.00 0.00 10 A 7.99 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.50 4.07 0.00 2.51 2.20 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 2.43 2.48 0.00 12 F 8.74 4.18 0.00 3.43 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.89 2.56 0.00 2.00 1.77 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.99 0.30 7.81 14 E 7.84 3.94 0.00 2.17 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 0.00 2.35 2.37 0.00 15 A 8.24 4.25 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 16 F 9.32 4.04 0.00 3.92 3.33 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 0.00 17 A 8.68 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 3.64 0.00 1.76 0.47 0.83 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.62 4.54 0.00 2.84 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 20 D 7.97 4.38 0.00 2.59 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 21 K 8.06 3.78 0.00 1.72 1.77 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 22 D 8.06 4.34 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.07 4.26 0.00 2.95 2.89 0.00 0.00 7.09 7.88 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 24 N 7.70 4.63 0.00 3.02 2.94 0.00 0.00 7.12 6.91 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 25 G 9.25 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 0.00 0.00 0.00 0.00 26 S 9.98 6.17 0.00 3.95 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 27 I 8.40 4.62 1.59 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.66 -0.64 0.00 0.00 28 S 10.61 4.88 0.00 3.99 3.72 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 29 S 9.16 4.10 0.00 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.21 3.97 0.00 3.87 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 31 E 8.63 3.75 0.00 1.94 1.82 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 2.27 2.30 0.00 32 L 7.77 3.51 0.00 1.54 1.72 0.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.89 3.91 1.24 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 0.00 0.00 0.00 34 T 7.10 3.62 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 0.61 0.00 0.00 35 V 6.92 3.43 2.20 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 0.55 0.00 0.00 0.68 0.00 0.00 36 M 7.82 4.08 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 37 R 7.84 4.88 0.00 1.86 1.94 0.00 3.16 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.51 0.00 38 S 8.04 4.18 0.00 3.99 4.01 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 39 L 7.52 4.11 0.00 1.60 1.42 -1.30 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 G 6.65 3.69 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 0.00 0.00 0.00 0.00 41 L 7.65 4.83 0.00 1.79 1.77 0.96 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.91 5.05 0.00 3.79 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.65 0.00 2.23 2.10 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 44 S 8.34 4.79 0.00 3.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.84 3.81 0.00 2.02 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 2.39 2.41 0.00 46 A 8.00 3.97 1.34 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 0.00 0.00 0.00 47 E 7.94 3.89 0.00 2.11 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 2.39 2.39 0.00 48 V 8.04 3.56 2.19 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 0.87 0.00 0.00 0.97 0.00 0.00 49 N 8.25 4.21 0.00 2.79 2.99 0.00 0.00 7.16 8.49 0.00 0.00 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 D 7.94 4.36 0.00 2.75 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 51 L 7.69 4.35 0.00 1.89 1.79 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.53 4.21 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 53 N 8.24 4.59 0.00 2.90 2.92 0.00 0.00 7.17 7.24 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 54 E 8.09 4.35 0.00 2.35 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 0.00 2.33 2.32 0.00 55 I 8.93 4.37 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 1.05 0.00 0.00 56 D 8.13 4.33 0.00 2.66 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 57 V 8.08 4.14 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 0.78 0.00 0.00 0.95 0.00 0.00 58 D 7.22 4.18 0.00 2.71 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 3.80 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 0.00 60 N 7.53 4.81 0.00 2.68 2.73 0.00 0.00 6.81 7.89 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 61 H 7.99 4.50 0.00 3.20 3.33 0.00 5.49 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.68 4.62 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.09 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 63 I 9.22 4.13 2.12 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 0.99 0.58 1.14 0.00 0.00 64 E 9.60 5.23 0.00 2.03 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 2.45 2.28 0.00 65 F 8.50 2.68 0.00 2.54 2.94 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 0.00 0.00 0.00 66 S 7.53 4.01 0.00 4.07 3.64 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 67 E 8.43 3.90 0.00 2.26 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 0.00 2.41 2.66 0.00 68 F 8.48 4.36 0.00 3.06 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 69 L 7.24 3.39 0.00 1.19 1.18 -0.52 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.84 3.89 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 71 L 7.70 4.39 0.00 1.96 1.72 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.15 3.66 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.97 0.00 73 S 7.63 4.16 0.00 4.02 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 74 R 8.72 4.21 0.00 1.67 2.09 0.00 3.30 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 75 Q 7.64 4.63 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.38 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 76 L 7.57 4.62 0.00 1.80 1.53 1.19 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.89 4.19 0.00 1.95 1.77 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.46 7.81