NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5186 8.3349 116.8089 57.9840 64.5109 173.2814 8 D 4.6609 8.4755 122.8899 53.3481 42.1508 174.2510 9 F 5.2890 8.7175 115.7061 55.8242 42.2305 173.4635 10 V 4.5221 8.6571 110.4704 59.7472 35.5541 175.0978 11 V 4.4640 8.7226 125.8260 61.8924 33.2997 174.6750 12 I 4.8571 8.8015 128.2775 59.6226 40.1861 173.8620 13 K 4.9946 9.1433 129.5180 54.3644 34.4115 175.0584 14 A 4.4670 8.8000 129.8784 51.6873 19.4277 177.4164 15 L 4.8526 8.9961 122.6039 54.0926 42.5354 175.9030 16 E 4.6460 7.6658 115.5564 55.3459 31.8960 174.4593 17 D 4.5166 8.4535 119.4856 55.2900 41.4210 176.6452 18 G 3.8865 8.2363 107.8120 46.3050 0.0000 174.2753 19 V 3.9543 7.6564 119.8548 62.6999 33.0515 174.6248 20 N 5.3957 9.3931 123.9956 51.4641 42.0977 173.4297 21 V 4.4397 8.8691 124.6871 61.5579 33.3158 174.2861 22 I 4.8261 8.8839 130.3174 59.6729 39.4317 175.0099 23 G 4.3396 8.6935 114.5290 44.7368 0.0000 172.3860 24 L 5.5193 8.6434 124.8762 52.5618 44.5958 176.2006 25 T 4.3167 8.5424 113.4878 62.4242 69.1422 173.7525 26 R 4.3873 7.5581 123.8793 56.0688 31.0894 174.9619 27 G 3.8158 9.0923 110.0897 43.3540 0.0000 173.1617 28 A 4.0731 8.6064 121.7117 54.4733 18.3419 177.6228 29 D 4.9448 7.8330 113.4768 52.9419 43.2495 176.0487 30 T 4.7349 8.2706 117.5817 62.0442 70.9823 173.4121 31 R 4.9295 8.5670 122.7539 54.1556 33.3745 174.6833 32 F 5.0553 8.9133 115.7593 57.3852 38.4457 174.7244 33 H 4.8351 8.6822 113.8459 55.2774 30.1015 172.8052 34 H 4.7842 7.5645 118.3092 55.3537 33.2475 172.3812 35 S 4.5377 8.0555 118.6485 56.5851 64.7882 172.3226 36 E 4.4966 8.9628 130.0656 54.9940 30.7833 174.8916 37 K 4.9148 8.6368 126.6298 55.7248 34.4256 175.7744 38 L 4.8458 9.0641 124.0800 53.1200 44.7790 175.3707 39 D 5.1492 8.4906 121.9085 51.9185 43.9513 175.8892 40 K 4.0014 8.3768 121.3537 58.7680 32.3129 176.8134 41 G 4.0396 9.3572 115.6407 45.1701 0.0000 173.5714 42 E 4.2390 8.2294 119.5483 56.3106 30.7768 176.0297 43 V 4.8979 8.2998 122.0498 61.0286 34.2659 174.2082 44 L 4.6896 8.8413 129.5135 53.3570 44.5349 174.9480 45 I 4.9921 8.5472 126.7887 59.7963 38.6912 174.4702 46 A 4.8509 8.5663 128.8231 50.0968 22.3497 175.0460 47 Q 5.0800 8.3855 117.8778 54.1649 31.4950 175.4762 48 F 4.4934 8.5041 120.0777 57.9216 39.1949 175.7597 49 T 4.6193 8.8261 111.3800 60.6903 71.3717 173.7332 50 E 4.0695 8.8711 120.6145 59.0009 29.9712 177.4948 51 H 4.7233 7.7804 114.7693 55.7665 30.2555 174.0561 52 T 4.8293 8.4564 117.1444 62.0438 70.6315 174.0915 53 S 5.1064 8.4665 119.7133 57.3359 63.8207 173.0599 54 A 4.8494 7.5850 119.2223 51.7646 22.0440 175.8001 55 I 5.0536 8.7589 121.5338 59.3159 40.9074 174.8127 56 K 4.6132 9.2903 127.3566 54.4954 35.3864 174.7157 57 V 4.8148 8.4780 126.5317 61.3360 33.6683 174.5572 58 R 4.3988 8.9577 128.0538 55.3785 31.9275 175.4265 59 G 3.7440 8.5872 109.5158 43.4120 0.0000 172.0780 60 K 4.9300 10.4268 122.2951 54.7807 32.8733 175.7608 61 A 5.1782 8.6562 128.3403 50.4717 23.3725 173.7616 62 Y 4.5988 9.1443 122.3794 56.4106 40.5215 174.4511 63 I 5.0851 8.2475 127.6520 59.5601 40.9130 174.4886 64 Q 5.2231 9.1390 125.7476 54.4181 31.9251 174.8795 65 T 4.6779 8.4647 112.3101 59.7001 72.4959 174.3875 66 R 3.7188 8.6319 120.5838 60.1086 29.7677 176.8384 67 H 4.4673 7.7599 111.6394 55.7797 29.0575 173.5046 68 G 3.6923 7.7432 106.1883 43.6915 0.0000 173.7558 69 V 4.3127 7.9639 112.1180 61.3364 32.7826 176.0800 70 I 3.9882 7.8188 118.4793 60.4677 41.8897 172.6782 71 E 5.1090 8.8679 128.7208 54.8913 31.6104 175.3418 72 S 4.9191 8.8924 117.8971 56.7497 66.2057 172.7807 73 E 4.9254 8.6731 119.9757 54.6195 32.9674 176.0022 74 G 3.6873 8.5688 111.8754 45.7700 0.0000 172.1427 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 7 S 8.33 4.52 0.00 4.02 4.02 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 0.00 0.00 0.00 8 D 8.48 4.66 0.00 2.84 2.77 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 0.00 0.00 0.00 0.00 9 F 8.72 5.29 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.66 4.52 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 0.82 0.00 0.00 0.97 0.00 0.00 11 V 8.72 4.46 2.30 0.00 0.00 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 1.22 0.00 0.00 12 I 8.80 4.86 1.90 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 1.12 0.58 0.93 0.00 0.00 13 K 9.14 4.99 0.00 1.85 1.75 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 A 8.80 4.47 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.00 4.85 0.00 1.52 1.70 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.65 0.00 2.03 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 2.17 2.30 0.00 17 D 8.45 4.52 0.00 2.69 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 18 G 8.24 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 0.00 0.00 0.00 19 V 7.66 3.95 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 0.87 0.00 0.00 0.96 0.00 0.00 20 N 9.39 5.40 0.00 2.57 2.61 0.00 0.00 6.51 7.67 0.00 0.00 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 V 8.87 4.44 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 0.95 0.00 0.00 0.93 0.00 0.00 22 I 8.88 4.83 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.28 0.93 0.00 0.00 23 G 8.69 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 0.00 0.00 0.00 0.00 24 L 8.64 5.52 0.00 1.73 1.64 1.05 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.54 4.32 4.29 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 1.33 0.00 0.00 26 R 7.56 4.39 0.00 1.95 1.98 0.00 3.20 0.00 0.00 3.09 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 9.09 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.61 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.83 4.94 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 30 T 8.27 4.73 4.27 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 1.26 0.00 0.00 31 R 8.57 4.93 0.00 1.61 1.92 0.00 2.68 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 32 F 8.91 5.06 0.00 3.05 3.02 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 0.00 0.00 0.00 33 H 8.68 4.84 0.00 3.21 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.56 4.78 0.00 3.38 3.15 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.06 4.54 0.00 3.81 3.68 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 0.00 0.00 0.00 0.00 36 E 8.96 4.50 0.00 2.29 1.84 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 2.30 2.32 0.00 37 K 8.64 4.91 0.00 1.78 1.78 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.46 7.81 38 L 9.06 4.85 0.00 1.68 1.58 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.49 5.15 0.00 2.53 2.55 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 40 K 8.38 4.00 0.00 1.66 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.54 7.81 41 G 9.36 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.23 4.24 0.00 2.01 1.88 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 2.33 2.46 0.00 43 V 8.30 4.90 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 0.81 0.00 0.00 0.94 0.00 0.00 44 L 8.84 4.69 0.00 1.79 1.49 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.55 4.99 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.69 0.00 0.00 46 A 8.57 4.85 1.14 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 0.00 0.00 47 Q 8.39 5.08 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 48 F 8.50 4.49 0.00 3.08 3.04 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 0.00 0.00 0.00 49 T 8.83 4.62 4.29 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 1.30 0.00 0.00 50 E 8.87 4.07 0.00 1.91 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 1.81 2.13 0.00 51 H 7.78 4.72 0.00 3.45 3.20 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 52 T 8.46 4.83 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 53 S 8.47 5.11 0.00 3.94 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 54 A 7.59 4.85 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.76 5.05 1.85 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.54 0.88 0.00 0.00 56 K 9.29 4.61 0.00 1.77 1.61 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.33 7.81 57 V 8.48 4.81 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 0.87 0.00 0.00 0.93 0.00 0.00 58 R 8.96 4.40 0.00 1.76 1.79 0.00 3.07 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 59 G 8.59 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 10.43 4.93 0.00 1.98 1.72 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.24 7.81 61 A 8.66 5.18 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 62 Y 9.14 4.60 0.00 3.11 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.25 5.09 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.87 0.00 0.00 64 Q 9.14 5.22 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 65 T 8.46 4.68 4.13 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 1.18 0.00 0.00 66 R 8.63 3.72 0.00 1.78 1.81 0.00 3.20 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 67 H 7.76 4.47 0.00 3.18 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.74 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 69 V 7.96 4.31 1.71 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 0.72 0.00 0.00 0.81 0.00 0.00 70 I 7.82 3.99 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.31 0.84 0.00 0.00 71 E 8.87 5.11 0.00 1.85 1.83 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 2.08 2.23 0.00 72 S 8.89 4.92 0.00 3.84 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 73 E 8.67 4.93 0.00 1.81 1.84 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 2.20 2.28 0.00 74 G 8.57 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