NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5874 8.2048 119.7268 54.2459 34.1029 176.0109 2 T 3.3922 8.4719 113.6098 63.3227 68.5939 170.4073 3 K 4.0371 8.4411 126.8729 57.5173 31.8934 178.4845 4 Q 4.3059 9.5693 122.1288 58.4708 28.9758 177.5546 5 E 2.9288 8.0099 119.2610 59.2067 29.4233 179.2082 6 K 4.0287 7.9278 119.0653 58.8026 32.2151 179.5707 7 T 3.7672 7.5397 115.7053 66.5469 68.4525 176.2276 8 A 3.9313 7.7118 122.6457 55.0823 18.4387 179.4398 9 L 4.0762 7.5761 118.5630 58.2671 42.0124 178.9224 10 N 4.5628 8.5245 117.0646 56.0644 38.4231 177.3962 11 M 4.1623 8.1452 120.0608 58.4387 32.1833 178.5709 12 A 4.0789 8.1654 120.9215 55.3306 18.6964 179.6927 13 R 3.5769 8.2838 117.0573 59.2239 29.9705 178.6254 14 F 4.3389 8.5328 121.1729 61.3621 39.3416 177.2410 15 I 3.2834 8.1035 119.8292 64.0754 36.7933 178.3036 16 R 3.6795 7.7760 119.4716 59.5067 29.7882 178.6880 17 S 4.0469 7.6502 114.5563 61.7685 62.7346 176.7421 18 Q 3.7781 7.7245 120.9022 59.2606 28.2844 179.1199 19 T 3.8083 7.9953 117.0249 66.1663 68.3451 176.5486 20 L 3.9573 7.8957 122.5692 58.5977 42.2978 179.2053 21 T 4.2243 8.1020 116.9532 65.4703 68.2011 176.5141 22 L 3.8956 8.0510 123.1995 57.7843 42.0716 178.1846 23 L 3.9028 7.9923 120.6968 58.8444 41.5908 178.2802 24 E 3.9027 8.1096 117.7812 59.9309 29.5269 179.4353 25 K 4.2261 8.1970 119.2110 59.0618 32.1741 179.5321 26 L 4.0280 8.3200 119.5348 57.8636 41.6780 179.2804 27 N 4.3807 8.3853 116.5558 56.0885 38.2206 177.3363 28 E 4.0392 8.1669 120.3767 58.8253 29.3496 177.9445 29 L 4.3854 7.5694 116.8287 55.6919 43.3231 176.2530 30 D 4.2998 7.7207 114.7642 55.0950 39.7932 175.7542 31 A 4.4454 7.9839 120.4413 50.3699 15.4831 177.2321 32 D 4.3149 7.8137 127.4094 56.7141 39.8418 178.0452 33 E 3.8491 7.9894 120.3751 59.5857 29.4115 178.7347 34 Q 4.0541 8.0225 117.3985 58.6098 28.8917 178.9971 35 A 3.9467 8.2095 122.6619 54.9577 18.3633 178.9952 36 D 4.2185 8.1952 116.5679 57.7987 41.3861 178.4619 37 I 3.6406 7.6402 119.9994 64.6741 37.0348 178.0202 38 C 4.1303 8.2225 119.8023 62.4407 31.2973 175.5030 39 E 4.0988 8.3449 120.4244 59.4171 29.0022 179.4641 40 S 4.0553 8.3070 115.4924 61.3344 62.7492 176.4417 41 L 3.9583 7.9947 123.2640 57.9083 41.7683 178.4146 42 H 3.9829 8.4229 118.8941 59.1706 29.8373 176.6879 43 D 4.3468 8.3891 119.9825 57.9341 41.1836 178.0420 44 H 4.5160 8.4620 116.0959 58.5017 28.5945 177.6687 45 A 4.0595 8.3337 123.5396 54.9552 18.1672 179.0883 46 D 4.4413 8.1367 116.7666 57.2747 41.1680 178.0976 47 E 4.0407 8.6543 119.7961 59.3315 29.3340 179.2188 48 L 3.9471 7.9929 120.1787 58.4108 42.1803 178.0210 49 Y 4.1349 8.0859 119.7025 60.7921 38.7254 178.0096 50 R 3.7610 9.0268 117.0862 59.8616 29.3334 178.9171 51 S 4.0953 7.9358 115.3566 61.2888 62.7360 176.3477 52 C 4.2224 8.2762 119.6164 62.0700 27.9519 175.3520 53 L 4.0410 7.7798 121.6640 56.9619 41.4686 178.4743 54 A 3.9267 7.6516 120.5128 54.6841 18.5800 179.0091 55 R 3.9520 7.6673 116.9377 58.7705 30.4097 178.4861 56 F 4.9561 7.8232 116.9345 57.7567 39.6979 176.9746 57 G 4.3192 8.1021 105.4549 45.1563 0.0000 174.8847 58 D 4.8812 8.2723 118.2673 53.1527 39.6277 176.0306 59 D 4.7565 7.9897 121.7536 55.2838 38.2485 175.8042 60 G 4.3183 8.0800 118.6391 45.8682 0.0000 173.5214 61 E 4.1086 7.4555 118.8459 58.7387 29.6750 176.3107 62 N 4.6822 7.4579 118.5907 52.7488 39.4444 174.7202 63 L 4.3820 8.3393 124.5466 55.0022 42.6261 176.2642 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 8.20 4.59 0.00 2.01 2.54 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 T 8.47 3.39 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 1.22 0.00 0.00 3 K 8.44 4.04 0.00 1.82 1.43 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 Q 9.57 4.31 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 5 E 8.01 2.93 0.00 2.37 2.38 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 2.30 2.75 0.00 6 K 7.93 4.03 0.00 2.16 1.87 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.58 7.81 7 T 7.54 3.77 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 1.15 0.00 0.00 8 A 7.71 3.93 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 9 L 7.58 4.08 0.00 1.95 1.80 0.51 0.75 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 10 N 8.52 4.56 0.00 2.93 2.86 0.00 0.00 6.86 7.20 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 11 M 8.15 4.16 0.00 2.13 2.34 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 2.64 2.91 0.00 12 A 8.17 4.08 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 3.58 0.00 2.04 2.12 0.00 2.99 0.00 0.00 2.98 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.00 14 F 8.53 4.34 0.00 3.13 3.26 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 15 I 8.10 3.28 1.97 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 1.35 0.83 0.83 0.00 0.00 16 R 7.78 3.68 0.00 1.74 1.89 0.00 2.92 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.19 0.00 17 S 7.65 4.05 0.00 4.00 3.90 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 18 Q 7.72 3.78 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 19 T 8.00 3.81 4.33 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 1.20 0.00 0.00 20 L 7.90 3.96 0.00 1.83 1.79 0.94 0.64 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 21 T 8.10 4.22 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 L 8.05 3.90 0.00 1.84 1.73 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.99 3.90 0.00 1.82 1.84 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.11 3.90 0.00 2.26 1.95 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 2.33 2.56 0.00 25 K 8.20 4.23 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.70 1.50 7.81 26 L 8.32 4.03 0.00 1.97 1.70 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.39 4.38 0.00 2.92 2.86 0.00 0.00 7.07 8.21 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 28 E 8.17 4.04 0.00 2.19 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 2.32 2.58 0.00 29 L 7.57 4.39 0.00 1.64 1.67 0.92 0.99 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 30 D 7.72 4.30 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.45 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 32 D 7.81 4.31 0.00 2.87 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 3.85 0.00 2.00 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 2.31 2.36 0.00 34 Q 8.02 4.05 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 35 A 8.21 3.95 1.35 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 0.00 0.00 36 D 8.20 4.22 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.64 3.64 1.98 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 1.62 0.79 0.90 0.00 0.00 38 C 8.22 4.13 0.00 3.14 3.05 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 0.00 0.00 0.00 39 E 8.34 4.10 0.00 2.12 1.95 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 2.52 2.46 0.00 40 S 8.31 4.06 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.96 0.00 1.84 1.80 0.92 0.77 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 42 H 8.42 3.98 0.00 3.33 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.39 4.35 0.00 2.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.46 4.52 0.00 3.32 3.34 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.33 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.14 4.44 0.00 2.86 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 47 E 8.65 4.04 0.00 2.14 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 2.66 2.39 0.00 48 L 7.99 3.95 0.00 1.82 1.92 0.96 0.91 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 49 Y 8.09 4.13 0.00 3.13 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 50 R 9.03 3.76 0.00 2.03 2.43 0.00 3.03 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 51 S 7.94 4.10 0.00 4.06 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 52 C 8.28 4.22 0.00 3.04 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 53 L 7.78 4.04 0.00 1.30 1.62 0.89 1.18 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 54 A 7.65 3.93 1.27 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 0.00 0.00 55 R 7.67 3.95 0.00 1.54 1.19 0.00 2.37 0.00 0.00 2.65 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 56 F 7.82 4.96 0.00 3.23 2.98 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 57 G 8.10 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.88 0.00 3.03 2.92 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 0.00 0.00 0.00 59 D 7.99 4.76 0.00 2.80 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 60 G 8.08 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.46 4.11 0.00 2.10 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 2.34 2.26 0.00 62 N 7.46 4.68 0.00 2.88 2.73 0.00 0.00 6.98 7.66 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 63 L 8.34 4.38 0.00 1.62 1.49 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00