NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.6539 8.1200 121.1853 56.4493 34.3167 177.2567 3 L 3.7967 8.0358 120.0912 56.5300 41.7970 177.6614 4 S 4.1646 8.8214 115.0689 61.6140 63.5429 175.3866 5 E 3.9069 8.2607 122.4879 59.0939 29.1459 179.5583 6 V 3.5633 7.6753 117.3554 66.3175 31.7088 178.3114 7 R 3.9370 7.6376 116.1176 58.9969 29.5477 178.9290 8 K 3.8980 8.0082 119.3088 59.3093 32.2127 178.4976 9 Q 4.0173 7.9767 118.2121 59.8960 28.7415 179.2101 10 L 4.0960 8.2120 119.5186 57.3841 41.3057 179.0709 11 E 3.9464 8.7811 120.4951 60.1845 29.9099 179.5253 12 E 4.0704 10.1447 115.8717 59.1827 29.7586 179.1670 13 A 4.1747 8.7137 121.7547 55.0496 18.6457 179.6361 14 R 4.0059 8.3583 115.2985 57.6901 31.1943 176.8674 15 K 4.7181 7.9470 117.3405 56.3809 32.4010 176.3117 16 L 4.6232 7.3555 114.0269 53.8713 44.1834 175.8741 17 S 3.8384 8.1666 118.1110 56.0792 64.8532 170.6321 18 P 4.0450 0.0000 0.0000 65.8166 29.2254 180.3813 19 V 2.9849 7.9899 115.7717 63.5320 34.9183 175.9901 20 E 3.4844 8.5106 113.6843 59.8836 29.3462 180.7898 21 L 3.5409 6.3733 116.8013 57.1981 42.4902 177.8393 22 E 3.8681 7.8932 117.4345 59.8524 29.2964 179.5904 23 K 3.2823 8.1605 119.4823 59.8484 32.6319 178.6541 24 L 4.0841 7.7124 120.3056 57.8081 42.1837 178.4855 25 V 3.6468 8.4655 118.3007 66.2297 31.2082 178.2642 26 R 4.1960 8.5403 113.8336 57.3347 29.9622 176.7072 27 E 4.5035 8.8059 118.9880 57.3185 32.7488 178.0228 28 K 3.8569 7.9633 117.9042 60.1912 31.8926 178.7038 29 K 4.0549 8.2750 118.5660 58.5378 32.0215 179.2034 30 R 3.8327 7.8278 115.5909 59.9898 29.1179 178.0935 31 E 3.8959 8.9988 119.5490 58.7269 29.2384 178.5270 32 L 3.9259 8.1003 120.0347 58.7940 42.1751 178.6580 33 M 4.4552 8.3348 117.8647 59.1289 32.2861 177.9045 34 E 3.9216 8.1648 118.9332 59.0839 29.7276 178.4000 35 L 4.0771 9.0577 121.5265 58.2255 41.7439 179.1650 36 R 3.9535 9.2998 117.0304 59.1060 29.0982 178.4255 37 F 3.7419 8.6034 118.5343 60.6479 39.2387 177.5542 38 Q 4.2666 8.0325 114.9020 58.4528 28.6344 177.3022 39 A 4.2288 7.9461 121.2066 53.5054 18.4922 177.5338 40 S 4.6364 7.5510 108.8898 57.4872 64.2336 173.9979 41 I 4.1977 8.5127 115.5863 61.2389 38.7428 178.1822 42 G 3.7552 8.5411 111.2889 47.8073 0.0000 177.9705 43 Q 4.1665 8.7156 122.3168 56.9703 30.4848 176.0651 44 L 3.5979 8.4161 109.2497 55.1904 38.4605 173.1531 45 S 4.5052 7.4549 109.7744 57.6836 65.0385 177.3497 46 Q 4.3753 8.3556 122.3754 55.9690 32.3395 175.5121 47 N 4.0740 8.5880 115.6027 51.6083 41.2853 178.7405 48 H 3.8435 9.0049 123.4035 59.4138 30.5274 176.4557 49 K 4.1848 6.7283 120.7938 58.2499 31.2706 178.4986 50 I 3.9050 7.8722 120.5864 63.7598 37.2365 180.4144 51 R 4.4732 7.4465 114.6532 56.5802 29.6440 176.4548 52 D 4.5835 9.4704 118.2733 55.8661 43.7090 176.7299 53 L 3.9603 8.1061 119.6592 58.1866 41.9832 179.6286 54 K 3.9820 7.9509 117.7108 59.6510 32.0756 179.2936 55 R 4.0273 7.7583 117.8090 58.9573 29.9216 178.8709 56 Q 4.0879 7.7195 118.1562 58.4606 29.0886 177.9945 57 I 3.7279 7.8072 120.6703 64.9646 36.8805 177.0918 58 A 4.0685 8.2619 121.3125 53.8530 17.8210 179.1743 59 R 4.1773 7.8439 112.4694 59.2232 29.8432 178.8917 60 L 3.6939 8.1074 120.1399 57.2050 41.7238 179.7010 61 L 4.1371 7.7491 117.7842 57.4718 41.9773 179.2516 62 T 3.8822 8.7932 116.8940 66.5382 68.2802 176.8373 63 V 3.5215 8.7233 120.7623 66.1741 31.6274 177.7550 64 L 3.7625 7.8891 120.0629 58.3919 41.5695 178.7741 65 N 4.3992 8.0205 115.4689 55.8800 38.7634 177.1115 66 E 4.1017 8.0546 118.4821 59.1749 29.4884 179.3302 67 K 3.9906 8.8179 120.2618 59.2576 32.1225 179.1082 68 R 3.9436 7.8378 118.6177 59.5123 30.0162 176.8697 69 R 4.3540 7.9415 114.3431 53.6666 30.2846 172.4632 70 Q 3.5447 8.0224 132.2313 54.7225 28.1537 173.2536 71 N 4.9509 8.7129 118.1273 52.6511 41.1825 174.6620 72 A 4.1947 7.7921 124.9280 52.3803 19.3208 175.5627 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 4.65 0.00 1.86 1.88 0.00 2.03 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 L 8.04 3.80 0.00 1.83 1.67 0.92 0.61 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 8.82 4.16 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 8.26 3.91 0.00 2.20 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 0.00 2.42 2.42 0.00 6 V 7.68 3.56 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 1.03 0.00 0.00 1.03 0.00 0.00 7 R 7.64 3.94 0.00 2.05 1.98 0.00 3.18 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 8 K 8.01 3.90 0.00 1.91 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 Q 7.98 4.02 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 10 L 8.21 4.10 0.00 1.89 1.64 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.78 3.95 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 2.59 0.00 12 E 10.14 4.07 0.00 2.15 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 0.00 2.35 2.35 0.00 13 A 8.71 4.17 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 14 R 8.36 4.01 0.00 1.87 2.03 0.00 3.27 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 15 K 7.95 4.72 0.00 1.83 1.81 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.41 7.81 16 L 7.36 4.62 0.00 1.60 1.66 0.93 0.97 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 8.17 3.84 0.00 4.13 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 18 P 0.00 4.05 0.00 2.23 2.10 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 2.08 1.98 0.00 19 V 7.99 2.98 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 8.51 3.48 0.00 2.11 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 0.00 2.43 2.51 0.00 21 L 6.37 3.54 0.00 1.97 1.67 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.89 3.87 0.00 2.00 1.97 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 2.34 2.38 0.00 23 K 8.16 3.28 0.00 1.81 1.92 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.75 7.81 24 L 7.71 4.08 0.00 1.91 1.89 0.92 0.89 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 25 V 8.47 3.65 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 0.98 0.00 0.00 0.99 0.00 0.00 26 R 8.54 4.20 0.00 1.94 1.95 0.00 3.16 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 8.81 4.50 0.00 2.15 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 2.39 0.00 28 K 7.96 3.86 0.00 1.93 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.65 7.81 29 K 8.27 4.05 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.45 7.81 30 R 7.83 3.83 0.00 2.01 2.21 0.00 2.95 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 31 E 9.00 3.90 0.00 2.29 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 2.32 2.31 0.00 32 L 8.10 3.93 0.00 1.95 1.72 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.33 4.46 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.07 0.00 34 E 8.16 3.92 0.00 2.22 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 0.00 2.25 2.33 0.00 35 L 9.06 4.08 0.00 1.76 1.84 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.30 3.95 0.00 1.91 2.20 0.00 2.84 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.77 0.00 37 F 8.60 3.74 0.00 3.14 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 8.03 4.27 0.00 2.48 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 39 A 7.95 4.23 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 40 S 7.55 4.64 0.00 3.93 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 41 I 8.51 4.20 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 1.00 0.00 0.00 42 G 8.54 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 0.00 0.00 0.00 43 Q 8.72 4.17 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.35 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 44 L 8.42 3.60 0.00 1.72 1.65 0.94 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 45 S 7.45 4.51 0.00 3.92 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 46 Q 8.36 4.38 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.31 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 47 N 8.59 4.07 0.00 2.92 1.91 0.00 0.00 6.87 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 9.00 3.84 0.00 3.40 3.60 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 6.73 4.18 0.00 1.77 1.81 0.00 1.60 0.00 0.00 1.52 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.11 1.61 7.81 50 I 7.87 3.90 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 0.86 0.91 0.00 0.00 51 R 7.45 4.47 0.00 2.01 2.03 0.00 3.02 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 52 D 9.47 4.58 0.00 2.86 2.54 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 0.00 0.00 0.00 0.00 53 L 8.11 3.96 0.00 1.94 1.66 0.99 0.76 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 54 K 7.95 3.98 0.00 1.91 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.66 7.81 55 R 7.76 4.03 0.00 1.98 2.00 0.00 3.12 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 56 Q 7.72 4.09 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 57 I 7.81 3.73 1.96 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 1.78 1.19 0.91 0.00 0.00 58 A 8.26 4.07 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 59 R 7.84 4.18 0.00 2.01 2.23 0.00 2.82 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.72 0.00 60 L 8.11 3.69 0.00 1.78 1.81 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.75 4.14 0.00 2.01 1.70 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.79 3.88 4.36 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 1.21 0.00 0.00 63 V 8.72 3.52 2.22 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 1.04 0.00 0.00 0.96 0.00 0.00 64 L 7.89 3.76 0.00 1.88 1.82 0.92 0.57 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 65 N 8.02 4.40 0.00 2.73 2.85 0.00 0.00 7.06 7.19 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 66 E 8.05 4.10 0.00 2.23 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 2.51 2.41 0.00 67 K 8.82 3.99 0.00 1.96 1.88 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.58 7.81 68 R 7.84 3.94 0.00 2.14 2.07 0.00 3.24 0.00 0.00 3.27 7.61 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 7.94 4.35 0.00 2.01 1.92 0.00 3.24 0.00 0.00 3.22 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 70 Q 8.02 3.54 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.61 0.00 71 N 8.71 4.95 0.00 2.65 2.80 0.00 0.00 6.88 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 7.79 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