NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4416 8.3349 115.2895 58.4486 62.2746 173.1769 2 K 4.3600 8.3791 129.6486 55.2050 32.5944 175.7112 3 S 4.4505 7.7364 114.3745 57.0199 64.2974 171.7342 4 M 4.1356 8.2943 126.0742 56.4941 35.5216 174.0346 5 Q 3.7512 9.3132 117.9026 55.8267 27.4360 172.3409 6 V 4.4600 7.7033 109.6216 59.7967 35.6341 173.1688 7 P 4.6211 0.0000 0.0000 61.3067 33.1542 175.4520 8 F 3.9295 8.8489 112.5131 58.5177 37.6993 173.4539 9 S 3.6910 9.1822 119.1257 57.4493 61.4326 171.1267 10 R 4.6547 8.0874 119.6247 54.7197 32.6469 174.7702 11 C 4.9548 8.5199 114.5305 55.5886 42.3915 173.7378 12 C 5.2230 8.8003 118.4017 55.5403 43.2768 173.5515 13 F 4.2032 9.0478 120.8620 59.7132 39.6643 175.5489 14 S 4.5431 8.1551 114.7834 56.4958 63.2087 173.4184 15 F 5.1480 8.4569 126.7908 56.6982 41.0719 175.3719 16 A 4.3944 8.9273 124.7190 52.0044 17.5710 177.3343 17 E 4.7756 7.9054 113.2803 56.6097 30.9531 176.8003 18 Q 4.4808 7.5393 115.2807 58.2178 29.1502 174.5772 19 E 3.4384 7.8455 110.2042 57.8521 28.9244 175.1313 20 I 3.4490 6.7367 118.0984 61.4393 38.7347 173.4832 21 P 4.7058 0.0000 0.0000 61.4598 32.9206 176.7363 22 L 4.0363 8.2143 117.2446 57.4810 41.6582 179.6322 23 R 3.9204 8.0636 117.4057 58.2167 30.0102 176.5448 24 A 4.5168 7.8657 119.7066 52.3284 20.4700 176.5175 25 I 4.8647 7.1759 115.5122 60.1017 39.5002 174.7956 26 L 4.7848 9.4692 122.2725 56.2626 43.3710 174.1026 27 C 5.1708 7.9360 110.7035 54.7817 41.1279 171.2742 28 Y 4.9545 8.4606 114.8322 55.4834 41.3258 174.4890 29 R 4.1314 8.2552 115.1942 54.9042 33.0624 174.4282 30 N 4.6511 8.3167 119.2241 52.9156 39.8615 174.8256 31 T 4.5421 8.3352 112.4327 61.8090 66.6582 173.1896 32 S 3.8117 7.9023 120.2313 58.8540 62.7389 172.4570 33 S 4.6695 8.2688 111.4402 58.3559 62.1888 174.5321 34 I 3.7246 7.9636 120.4878 63.8084 37.6090 176.7713 35 C 4.4682 7.9741 115.0313 56.8454 40.2428 173.7147 36 S 4.0879 8.4082 116.5073 60.7880 62.5773 174.7177 37 N 4.7240 7.6039 123.4668 51.4268 38.2786 173.4724 38 E 3.6950 8.9521 126.1666 55.8033 29.2948 174.9350 39 G 3.9303 7.9892 104.9029 45.8306 0.0000 172.1314 40 L 5.1123 9.0764 128.7965 53.0402 45.8498 175.1635 41 I 5.3326 8.8485 123.2422 60.1661 42.4302 173.8847 42 F 5.1375 9.7755 122.0902 55.8955 43.9515 173.4590 43 K 5.2077 9.4026 119.8728 54.9607 35.3219 175.1245 44 L 5.4486 8.5538 126.3498 53.6712 43.7656 176.3715 45 K 4.1355 8.3140 119.2338 58.2932 32.3230 178.5102 46 R 3.9490 7.9909 118.1430 58.2516 29.9398 176.5352 47 G 4.2552 8.5271 105.2662 45.1364 0.0000 173.2612 48 K 4.4034 7.7143 118.6258 55.6427 35.5439 173.2933 49 E 5.3216 8.6430 118.6268 55.3274 33.3460 175.0608 50 A 4.8491 8.6875 120.3317 50.9769 22.9511 175.0548 51 C 5.1164 8.8630 117.5694 56.4095 38.5416 172.6206 52 A 3.9362 8.4580 122.4578 51.8522 22.5104 175.5768 53 L 4.3141 8.8761 119.7583 54.5977 40.4487 177.8703 54 D 4.8496 7.3371 130.6833 54.6166 40.6690 178.1697 55 T 4.8520 7.3987 114.2694 61.1854 69.5569 175.3517 56 V 3.6555 7.9064 116.4075 64.4321 32.2075 176.4378 57 G 3.6594 7.8138 113.1988 45.6142 0.0000 175.3198 58 W 4.3477 7.6907 119.2859 57.9653 28.1398 178.2044 59 V 3.1339 6.6405 119.5650 65.6068 30.6120 177.5399 60 Q 3.9661 7.5764 118.2409 59.0151 28.7441 179.2194 61 R 3.9863 7.9568 116.2671 59.2663 29.5563 178.4424 62 H 4.3177 7.9794 116.9261 58.5837 28.6923 177.6466 63 R 3.6182 8.3724 117.6171 58.2459 29.3961 178.3732 64 K 4.0150 8.2554 120.3463 58.9750 32.1679 178.0677 65 M 4.2659 7.3349 117.0014 57.0111 32.8814 176.4214 66 L 4.6968 7.9147 117.4987 53.8169 44.4193 174.9757 67 R 4.8235 8.1288 114.8181 55.0127 33.5629 173.6746 68 H 4.5189 8.8344 115.5252 55.8406 29.0792 175.8989 69 C 4.2849 8.9446 121.1482 57.1577 40.5484 172.0301 70 P 4.5083 0.0000 0.0000 62.8182 33.3959 174.8446 71 S 4.4754 8.1947 109.4024 58.3322 64.9477 175.7262 72 K 4.5359 8.6407 128.1596 56.6071 32.5042 176.5083 73 R 4.4892 7.2247 116.2990 54.6878 32.2955 176.8305 74 K 4.1328 8.3406 118.8130 56.6982 32.2322 175.7843 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 3.84 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 2 K 8.38 4.36 0.00 1.84 1.78 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.43 7.81 3 S 7.74 4.45 0.00 3.77 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 4 M 8.29 4.14 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 5 Q 9.31 3.75 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 6 V 7.70 4.46 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 0.64 0.00 0.00 0.92 0.00 0.00 7 P 0.00 4.62 0.00 1.79 2.06 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 8 F 8.85 3.93 0.00 3.22 3.16 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 0.00 0.00 0.00 0.00 9 S 9.18 3.69 0.00 4.19 4.16 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 0.00 0.00 0.00 0.00 10 R 8.09 4.65 0.00 1.85 1.87 0.00 3.09 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 11 C 8.52 4.95 0.00 3.08 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 12 C 8.80 5.22 0.00 3.34 3.27 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 0.00 13 F 9.05 4.20 0.00 2.96 3.14 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 14 S 8.16 4.54 0.00 3.97 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 15 F 8.46 5.15 0.00 3.07 3.13 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 0.00 0.00 0.00 0.00 16 A 8.93 4.39 0.98 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 0.00 0.00 17 E 7.91 4.78 0.00 2.19 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 2.28 2.29 0.00 18 Q 7.54 4.48 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 19 E 7.85 3.44 0.00 2.08 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 2.10 2.15 0.00 20 I 6.74 3.45 1.44 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 -0.20 0.00 0.00 21 P 0.00 4.71 0.00 2.23 2.15 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 22 L 8.21 4.04 0.00 1.65 1.73 0.87 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.06 3.92 0.00 1.76 1.95 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 24 A 7.87 4.52 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 25 I 7.18 4.86 2.04 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 1.35 0.00 0.00 26 L 9.47 4.78 0.00 1.64 1.75 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 C 7.94 5.17 0.00 3.27 3.24 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 28 Y 8.46 4.95 0.00 1.43 2.35 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 0.00 0.00 0.00 0.00 29 R 8.26 4.13 0.00 1.70 1.82 0.00 2.72 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 30 N 8.32 4.65 0.00 2.49 2.73 0.00 0.00 6.79 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 31 T 8.34 4.54 4.19 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 0.00 0.00 0.00 1.22 0.00 0.00 32 S 7.90 3.81 0.00 4.04 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 33 S 8.27 4.67 0.00 3.82 3.83 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 0.00 0.00 0.00 0.00 34 I 7.96 3.72 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 0.96 0.00 0.00 35 C 7.97 4.47 0.00 3.25 3.13 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 0.00 0.00 0.00 0.00 36 S 8.41 4.09 0.00 3.88 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 37 N 7.60 4.72 0.00 2.78 2.82 0.00 0.00 6.04 7.68 0.00 0.00 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 E 8.95 3.70 0.00 2.13 2.23 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 2.22 2.41 0.00 39 G 7.99 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 0.00 0.00 0.00 40 L 9.08 5.11 0.00 1.72 1.50 0.62 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.85 5.33 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 1.02 0.00 0.00 42 F 9.78 5.14 0.00 3.05 3.13 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 0.00 0.00 0.00 0.00 43 K 9.40 5.21 0.00 1.89 1.68 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.46 7.81 44 L 8.55 5.45 0.00 1.75 1.75 1.08 0.89 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 45 K 8.31 4.14 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.39 7.81 46 R 7.99 3.95 0.00 1.80 1.98 0.00 3.31 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 47 G 8.53 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 0.00 0.00 0.00 0.00 48 K 7.71 4.40 0.00 1.82 1.75 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 49 E 8.64 5.32 0.00 1.86 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 2.32 0.00 50 A 8.69 4.85 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 51 C 8.86 5.12 0.00 3.01 2.44 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 52 A 8.46 3.94 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.88 4.31 0.00 1.61 1.59 1.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.34 4.85 0.00 2.76 2.73 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 55 T 7.40 4.85 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 1.20 0.00 0.00 56 V 7.91 3.66 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 0.65 0.00 0.00 -0.17 0.00 0.00 57 G 7.81 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.69 4.35 0.00 3.55 3.34 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 59 V 6.64 3.13 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 -0.55 0.00 0.00 60 Q 7.58 3.97 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 61 R 7.96 3.99 0.00 2.07 2.24 0.00 3.05 0.00 0.00 3.45 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 62 H 7.98 4.32 0.00 3.68 3.74 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.37 3.62 0.00 0.99 0.66 0.00 2.97 0.00 0.00 3.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.57 0.00 64 K 8.26 4.01 0.00 1.80 1.82 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.46 7.81 65 M 7.33 4.27 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 66 L 7.91 4.70 0.00 1.72 1.71 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.13 4.82 0.00 1.88 2.05 0.00 3.01 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 68 H 8.83 4.52 0.00 3.02 3.26 0.00 5.96 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.94 4.28 0.00 2.83 3.09 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 0.00 0.00 0.00 70 P 0.00 4.51 0.00 2.18 2.10 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 71 S 8.19 4.48 0.00 3.79 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 72 K 8.64 4.54 0.00 1.76 1.80 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.50 7.81 73 R 7.22 4.49 0.00 1.85 1.86 0.00 3.14 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 74 K 8.34 4.13 0.00 1.69 1.66 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.35 7.81