NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.7355 8.1200 121.1852 56.4856 34.1744 177.2478 3 L 3.7969 8.1619 118.9744 56.6656 42.0145 177.3586 4 S 4.2227 8.9840 115.2227 61.7560 63.6590 175.8199 5 E 3.8577 7.9896 122.8620 58.5258 29.3284 179.8315 6 V 3.5451 7.7080 117.6607 66.2681 31.7270 178.1421 7 R 3.9215 7.8657 117.4311 59.5064 29.5631 178.4982 8 K 3.9389 8.1032 119.1319 59.0737 32.2168 178.2973 9 Q 3.9567 8.0701 117.3380 60.0080 28.7914 179.3109 10 L 3.9823 8.2974 119.0241 57.9774 41.4173 179.2024 11 E 3.9388 8.8241 120.2307 60.1639 29.8898 179.5873 12 E 4.0773 10.1486 116.0088 59.0912 29.6150 178.7699 13 A 4.2741 8.6241 121.3240 54.5121 18.8425 179.4596 14 R 4.0079 8.6273 116.0255 57.6460 30.7665 177.2130 15 K 4.6489 7.6015 118.7307 56.7463 32.5583 176.4975 16 L 4.5914 7.5488 115.1343 54.2335 43.6549 176.1557 17 S 3.8741 8.1564 117.2444 56.1495 63.8507 169.1525 18 P 4.0242 0.0000 0.0000 64.2776 29.0498 180.5932 19 V 2.9531 7.2686 114.5387 62.8178 34.8525 177.4832 20 E 3.3341 8.1245 112.7172 59.3641 30.1051 180.9411 21 L 3.2713 7.0519 113.4531 55.5862 42.6344 178.1037 22 E 3.8613 8.0872 117.5553 60.3086 29.6924 179.8291 23 K 3.3993 8.1876 118.1988 59.8713 32.3214 178.7132 24 L 4.0338 7.7811 120.3142 57.6854 42.1636 178.4955 25 V 3.6432 8.4228 118.2758 66.3455 31.2640 178.4381 26 R 4.0819 8.4094 112.9922 57.4233 29.9573 176.9362 27 E 4.5548 8.5018 119.6665 56.9166 32.4150 178.4198 28 K 4.1841 7.7810 118.3890 59.9027 31.8619 178.5194 29 K 4.1775 8.2688 119.4454 57.8125 31.8655 179.0320 30 R 3.8092 7.8731 116.4676 60.1322 29.1111 178.1448 31 E 3.9978 8.8740 119.7410 58.4812 29.4352 178.4603 32 L 3.9351 8.3322 120.4683 58.7583 42.2350 178.7903 33 M 4.2847 8.2100 117.7744 59.0583 31.7126 177.8518 34 E 3.7501 7.8241 119.1865 58.9791 29.7416 178.2351 35 L 4.0120 8.9724 121.5605 58.3375 42.1920 179.2466 36 R 3.9629 9.1244 117.0263 59.2854 29.1860 178.5432 37 F 3.7670 8.6327 118.5042 60.4081 39.2179 177.4590 38 Q 4.3119 8.0486 114.8204 58.0768 28.7569 177.2271 39 A 4.1130 7.8686 121.2321 53.4406 18.7907 177.5519 40 S 4.6253 7.9511 110.7991 57.7569 64.3120 174.7634 41 I 4.1064 8.6186 116.0116 61.1864 36.9470 175.9291 42 G 3.8401 7.2844 111.3250 47.5489 0.0000 178.5424 43 Q 4.2178 7.6638 122.2493 55.8785 31.1402 175.7695 44 L 3.6239 8.3466 111.5430 54.7844 38.5158 173.3502 45 S 4.4856 7.2692 108.1970 57.7090 65.3484 177.3213 46 Q 4.3466 8.0978 122.2000 55.0581 32.1626 176.9922 47 N 3.7846 8.8246 116.4440 51.9869 40.6314 178.0799 48 H 3.9332 9.1239 124.0578 59.4185 30.3345 176.3238 49 K 4.0850 7.1588 120.4418 58.6254 31.7937 178.7187 50 I 3.8450 7.9352 120.3969 64.0459 37.0838 179.4231 51 R 4.5053 7.3728 113.8910 56.5952 30.1639 176.3318 52 D 4.5873 8.6147 118.0864 55.9939 43.5459 176.9937 53 L 3.9939 7.9209 119.8434 58.0617 41.8057 179.4501 54 K 3.9626 7.9159 117.8774 59.6227 31.8308 179.2627 55 R 3.9140 7.7123 117.5557 59.1683 29.9463 178.8810 56 Q 4.1356 7.7483 118.0200 58.5581 29.0095 178.1176 57 I 3.7237 7.9741 120.8506 64.9064 36.3273 177.1232 58 A 3.9502 8.3179 120.6367 55.1733 17.5424 179.1985 59 R 3.8651 8.0657 110.8547 59.3990 29.7050 179.0073 60 L 3.9426 7.9627 120.2597 57.0952 41.7479 179.6310 61 L 4.1372 7.7898 117.9981 57.5003 41.8856 179.1323 62 T 3.8885 9.1592 115.9082 66.6368 68.2246 176.7717 63 V 3.5841 9.1260 120.8769 66.3042 31.6346 178.0434 64 L 3.3512 7.7729 120.0791 57.9909 41.6561 178.6900 65 N 4.4282 7.8139 115.5103 55.6868 39.1986 176.9814 66 E 4.0985 7.7951 119.0327 59.3049 29.4804 179.3115 67 K 3.9993 8.9444 120.6714 59.1770 32.1447 179.1842 68 R 3.9158 7.8175 118.6228 58.9984 30.1026 176.8082 69 R 4.3203 7.8865 113.1208 55.7163 30.9974 172.2733 70 Q 3.9235 7.8148 126.2629 54.7595 29.4140 173.3359 71 N 4.9240 8.7633 117.7262 53.1004 41.3461 174.3175 72 A 4.1887 7.7694 124.7237 52.4025 19.2919 175.5431 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 2 K 8.12 4.74 0.00 1.86 1.87 0.00 1.99 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 3 L 8.16 3.80 0.00 1.76 1.71 0.92 0.62 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 4 S 8.98 4.22 0.00 4.09 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 5 E 7.99 3.86 0.00 2.16 2.05 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 2.41 2.43 0.00 6 V 7.71 3.55 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 1.03 0.00 0.00 0.98 0.00 0.00 7 R 7.87 3.92 0.00 2.05 1.99 0.00 3.18 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 8 K 8.10 3.94 0.00 1.91 1.80 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.53 7.81 9 Q 8.07 3.96 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.50 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 10 L 8.30 3.98 0.00 1.89 1.65 0.92 0.81 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 11 E 8.82 3.94 0.00 2.07 2.05 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 2.36 2.60 0.00 12 E 10.15 4.08 0.00 2.13 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 2.35 2.36 0.00 13 A 8.62 4.27 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 14 R 8.63 4.01 0.00 1.89 2.02 0.00 3.29 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 15 K 7.60 4.65 0.00 1.80 1.84 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.50 1.47 7.81 16 L 7.55 4.59 0.00 1.66 1.67 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.16 3.87 0.00 4.14 3.95 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 0.00 0.00 0.00 18 P 0.00 4.02 0.00 2.23 2.15 0.00 3.71 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 2.07 1.96 0.00 19 V 7.27 2.95 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 0.93 0.00 0.00 0.93 0.00 0.00 20 E 8.12 3.33 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 21 L 7.05 3.27 0.00 2.02 1.57 0.97 1.01 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 22 E 8.09 3.86 0.00 2.20 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 2.34 2.49 0.00 23 K 8.19 3.40 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.69 7.81 24 L 7.78 4.03 0.00 1.90 1.88 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.42 3.64 2.16 0.00 0.00 0.00 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 0.99 0.00 0.00 26 R 8.41 4.08 0.00 1.94 1.95 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 27 E 8.50 4.55 0.00 2.06 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 0.00 2.20 2.50 0.00 28 K 7.78 4.18 0.00 1.86 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.63 7.81 29 K 8.27 4.18 0.00 1.76 1.75 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.44 7.81 30 R 7.87 3.81 0.00 1.99 2.20 0.00 2.93 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 31 E 8.87 4.00 0.00 2.28 1.98 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 2.31 2.41 0.00 32 L 8.33 3.94 0.00 1.95 1.73 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.21 4.28 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.79 0.00 34 E 7.82 3.75 0.00 2.07 2.14 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 2.23 2.31 0.00 35 L 8.97 4.01 0.00 1.75 1.87 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.12 3.96 0.00 2.02 2.21 0.00 2.88 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 37 F 8.63 3.77 0.00 3.13 3.25 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 38 Q 8.05 4.31 0.00 2.36 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 39 A 7.87 4.11 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 40 S 7.95 4.63 0.00 3.92 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 41 I 8.62 4.11 1.88 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 1.47 0.74 1.00 0.00 0.00 42 G 7.28 3.84 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 0.00 0.00 0.00 43 Q 7.66 4.22 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.46 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 44 L 8.35 3.62 0.00 1.74 1.66 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.27 4.49 0.00 3.92 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 46 Q 8.10 4.35 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.26 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 47 N 8.82 3.78 0.00 2.93 2.26 0.00 0.00 6.82 8.16 0.00 0.00 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 H 9.12 3.93 0.00 3.37 3.49 0.00 5.49 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.16 4.09 0.00 2.04 1.83 0.00 1.61 0.00 0.00 1.53 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.09 1.62 7.81 50 I 7.94 3.85 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 1.58 0.68 0.92 0.00 0.00 51 R 7.37 4.51 0.00 2.00 2.03 0.00 3.03 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 52 D 8.61 4.59 0.00 2.78 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 53 L 7.92 3.99 0.00 1.95 1.66 0.92 0.35 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 54 K 7.92 3.96 0.00 1.93 1.84 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.62 7.81 55 R 7.71 3.91 0.00 2.04 2.01 0.00 3.12 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 56 Q 7.75 4.14 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 57 I 7.97 3.72 1.94 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 1.79 1.32 0.91 0.00 0.00 58 A 8.32 3.95 1.33 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 0.00 0.00 59 R 8.07 3.87 0.00 2.09 2.23 0.00 2.82 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 60 L 7.96 3.94 0.00 1.95 1.81 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.79 4.14 0.00 1.97 1.70 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 62 T 9.16 3.89 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 1.21 0.00 0.00 63 V 9.13 3.58 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 0.99 0.00 0.00 0.97 0.00 0.00 64 L 7.77 3.35 0.00 1.98 1.82 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.81 4.43 0.00 2.90 2.85 0.00 0.00 7.03 7.40 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 66 E 7.80 4.10 0.00 2.15 2.21 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 2.48 2.39 0.00 67 K 8.94 4.00 0.00 1.89 1.88 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.58 7.81 68 R 7.82 3.92 0.00 2.00 2.05 0.00 3.23 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 69 R 7.89 4.32 0.00 2.00 2.04 0.00 3.19 0.00 0.00 3.22 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 70 Q 7.81 3.92 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.56 0.00 71 N 8.76 4.92 0.00 2.66 2.81 0.00 0.00 6.85 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 72 A 7.77 4.19 1.18 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