NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4815 8.3349 115.3035 57.8995 63.7591 173.3973 8 D 4.7965 8.4488 125.9912 52.7924 42.1049 174.2431 9 F 5.3981 9.0038 115.6310 55.6144 41.8666 173.5553 10 V 4.5275 9.0449 112.7837 59.5941 35.2466 174.7654 11 V 4.7298 8.6399 123.9727 61.4509 33.6783 174.5688 12 I 4.8566 8.9725 128.5530 59.5729 40.4098 174.1649 13 K 4.8950 9.0173 129.7911 54.4345 34.0658 175.2307 14 A 4.4024 8.7977 130.4483 52.1570 18.9263 177.4792 15 L 4.5432 9.1126 123.1064 55.4611 42.3565 176.3070 16 E 4.6497 7.6319 115.6273 54.9788 32.2765 174.3449 17 D 4.4025 8.4324 119.1151 55.4647 41.2853 176.6045 18 G 3.8778 8.4920 109.4103 46.3770 0.0000 174.1063 19 V 3.8833 7.6529 119.9206 62.7724 32.9035 174.4334 20 N 5.2985 8.8333 124.5008 51.5451 41.3845 173.7760 21 V 4.6082 8.5086 123.5299 61.4017 33.5825 174.2383 22 I 4.6886 8.7969 129.6787 59.4104 39.7607 174.8111 23 G 4.2078 8.7551 114.7288 44.9071 0.0000 172.8013 24 L 6.0912 9.2176 125.9337 52.8918 44.1531 176.1431 25 T 4.7317 8.4859 112.3122 61.5028 69.7741 174.3104 26 R 3.9998 8.3696 125.9982 57.1630 30.5234 175.0712 27 G 3.7371 8.7781 109.8643 44.0012 0.0000 173.8835 28 A 4.1116 8.5676 121.3748 54.1578 18.6741 177.6564 29 D 4.8923 7.2320 112.0119 52.9947 42.6700 176.0491 30 T 4.7318 8.2537 118.9176 62.0530 71.0915 173.2287 31 R 4.4592 8.6755 122.3066 55.1802 33.7428 173.4893 32 F 5.6355 8.5127 118.2002 57.1007 39.2204 175.9315 33 H 4.9314 8.7654 118.2280 55.9067 30.5398 173.6271 34 H 4.6288 7.4154 118.4166 55.0188 33.2681 172.2000 35 S 4.7243 8.1513 119.7117 56.3280 64.5005 172.8000 36 E 4.2894 8.8373 130.3353 55.0438 30.3125 175.3974 37 K 4.5713 8.6151 129.4914 56.2940 33.3102 175.7753 38 L 4.9418 9.2781 127.6243 53.1360 44.6632 175.9651 39 D 4.9507 9.3489 123.9137 52.4835 43.2389 175.9906 40 K 4.0954 8.6801 121.9547 58.6584 32.3377 176.0787 41 G 4.1087 9.2546 115.0659 45.4628 0.0000 173.8105 42 E 4.1551 8.3747 119.5862 56.3959 30.6443 176.2712 43 V 4.8781 8.3349 122.9733 61.0166 33.9391 174.2247 44 L 4.7882 8.9589 129.7053 53.2728 44.8073 174.7431 45 I 5.0626 8.4366 126.1332 59.5633 39.4189 174.8161 46 A 4.6795 9.1082 128.5607 50.3378 22.2577 175.3699 47 Q 4.9045 8.6322 120.9188 54.5168 31.0555 175.3445 48 F 4.6900 8.7531 119.8640 57.6875 38.6368 175.4737 49 T 4.7228 8.9957 111.2040 59.9859 71.9960 173.9438 50 E 4.1570 8.9905 121.1661 59.2667 29.6006 177.1821 51 H 4.6806 7.8748 112.7129 55.7525 30.2444 173.8389 52 T 5.7832 8.9901 117.1011 60.9233 70.9808 174.3808 53 S 5.0615 9.1655 119.7554 58.0931 64.6055 173.8152 54 A 5.0761 7.9590 121.7938 50.9925 22.6441 175.0498 55 I 4.9373 8.5723 121.1474 59.2839 40.7416 174.7127 56 K 4.5249 9.3516 128.5162 54.5812 34.5504 174.6257 57 V 4.6376 8.4103 127.6239 61.5574 33.0232 174.6477 58 R 4.4379 8.7829 128.3677 55.6448 32.6076 174.5710 59 G 3.6986 8.9710 111.3194 43.8123 0.0000 172.6133 60 K 4.6275 9.2357 119.9490 55.2174 32.3595 175.6647 61 A 5.1929 8.6648 128.5605 50.3073 23.4376 173.5309 62 Y 4.7969 8.9487 121.2148 56.1154 40.8774 174.5812 63 I 5.0770 8.1539 127.0444 59.5726 40.9138 174.3895 64 Q 5.1823 8.8899 125.4303 54.3726 32.0510 174.8333 65 T 4.8238 8.7188 112.6836 59.5852 72.5118 174.5918 66 R 3.7424 8.5726 120.6186 59.2770 29.9235 176.4321 67 H 4.6966 8.0345 113.4045 55.2677 29.3997 173.7273 68 G 3.7763 7.5835 105.9654 43.9644 0.0000 172.6792 69 V 4.5609 8.0548 119.0486 61.7755 33.1312 176.5498 70 I 4.6146 8.6987 126.1853 59.4731 41.9389 173.1060 71 E 5.1828 8.5850 127.1211 54.4548 31.6752 175.9269 72 S 4.5350 8.5552 118.9311 58.0592 64.8803 172.9332 73 E 4.7093 8.5540 120.6455 53.9374 32.6679 176.2966 74 G 4.0702 8.9191 110.8102 46.3150 0.0000 173.0928 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 4.48 0.00 3.92 3.92 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 8 D 8.45 4.80 0.00 2.86 2.76 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 9 F 9.00 5.40 0.00 3.04 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 10 V 9.04 4.53 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 0.63 0.00 0.00 0.85 0.00 0.00 11 V 8.64 4.73 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 1.10 0.00 0.00 1.16 0.00 0.00 12 I 8.97 4.86 1.88 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 1.11 0.70 0.92 0.00 0.00 13 K 9.02 4.89 0.00 1.87 1.77 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 A 8.80 4.40 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 15 L 9.11 4.54 0.00 1.71 1.74 1.02 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 16 E 7.63 4.65 0.00 2.03 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 2.19 2.32 0.00 17 D 8.43 4.40 0.00 2.67 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 8.49 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 0.00 0.00 0.00 19 V 7.65 3.88 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 0.96 0.00 0.00 0.95 0.00 0.00 20 N 8.83 5.30 0.00 2.59 2.57 0.00 0.00 6.37 7.54 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 21 V 8.51 4.61 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 0.90 0.00 0.00 0.90 0.00 0.00 22 I 8.80 4.69 1.56 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.51 -0.18 0.00 0.00 23 G 8.76 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 0.00 0.00 0.00 0.00 24 L 9.22 6.09 0.00 1.86 1.72 1.13 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.49 4.73 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 1.37 0.00 0.00 26 R 8.37 4.00 0.00 1.91 2.01 0.00 3.34 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 27 G 8.78 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 28 A 8.57 4.11 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 29 D 7.23 4.89 0.00 2.72 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 30 T 8.25 4.73 4.23 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 1.24 0.00 0.00 31 R 8.68 4.46 0.00 1.80 1.95 0.00 2.77 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 32 F 8.51 5.64 0.00 2.95 2.89 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 33 H 8.77 4.93 0.00 3.28 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.42 4.63 0.00 3.28 3.02 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.15 4.72 0.00 3.67 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 4.29 0.00 2.22 1.82 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 2.29 2.30 0.00 37 K 8.62 4.57 0.00 1.78 1.67 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.45 7.81 38 L 9.28 4.94 0.00 1.55 1.51 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.35 4.95 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.10 0.00 1.72 1.75 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.40 7.81 41 G 9.25 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.37 4.16 0.00 2.12 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 2.32 2.26 0.00 43 V 8.33 4.88 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 8.96 4.79 0.00 1.75 1.46 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.44 5.06 1.82 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 1.33 0.69 0.88 0.00 0.00 46 A 9.11 4.68 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.63 4.90 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 48 F 8.75 4.69 0.00 2.99 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 49 T 9.00 4.72 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 1.28 0.00 0.00 50 E 8.99 4.16 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.28 0.00 51 H 7.87 4.68 0.00 3.26 3.22 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 8.99 5.78 4.31 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 1.29 0.00 0.00 53 S 9.17 5.06 0.00 3.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 5.08 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 55 I 8.57 4.94 1.80 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.51 0.82 0.00 0.00 56 K 9.35 4.52 0.00 1.82 1.58 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.36 7.81 57 V 8.41 4.64 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 0.80 0.00 0.00 0.91 0.00 0.00 58 R 8.78 4.44 0.00 1.88 1.68 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 59 G 8.97 3.70 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 0.00 0.00 0.00 60 K 9.24 4.63 0.00 1.98 1.75 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 A 8.66 5.19 1.24 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 0.00 0.00 62 Y 8.95 4.80 0.00 3.05 2.79 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 63 I 8.15 5.08 1.93 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 1.22 0.47 0.87 0.00 0.00 64 Q 8.89 5.18 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 65 T 8.72 4.82 4.14 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 1.17 0.00 0.00 66 R 8.57 3.74 0.00 1.62 1.79 0.00 3.20 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 67 H 8.03 4.70 0.00 3.13 3.25 0.00 5.68 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 7.58 3.78 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 0.00 0.00 0.00 69 V 8.05 4.56 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 0.16 0.00 0.00 0.92 0.00 0.00 70 I 8.70 4.61 1.81 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 1.19 1.04 0.85 0.00 0.00 71 E 8.58 5.18 0.00 1.84 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 2.05 2.14 0.00 72 S 8.56 4.53 0.00 3.97 3.97 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 0.00 0.00 0.00 73 E 8.55 4.71 0.00 1.83 1.86 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 2.20 2.27 0.00 74 G 8.92 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00