NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4656 8.3349 115.2925 58.6397 63.8955 174.4491 2 M 4.7020 8.3223 126.6076 53.8626 32.9849 168.8250 3 V 4.5124 8.1091 113.3953 59.3178 36.8555 174.9584 4 N 4.4885 8.3704 119.1923 52.0585 39.6796 175.0987 5 T 3.9236 7.1702 111.9671 59.4263 71.7777 175.2554 6 G 3.6631 8.0397 117.2817 45.1151 0.0000 172.9479 7 L 4.8509 7.2288 118.1422 51.8108 43.5166 175.4817 8 P 4.4898 0.0000 0.0000 62.4816 31.7611 177.2176 9 A 3.2945 8.7281 122.9443 55.1600 18.7800 178.8834 10 G 3.7060 7.4280 106.3310 44.5575 0.0000 172.8982 11 W 4.6898 6.7417 114.8981 54.9353 31.0666 177.7390 12 E 5.5110 8.3556 122.6311 55.8590 32.1175 175.2937 13 V 4.1941 8.5156 127.6497 63.2294 32.2781 175.4021 14 R 4.6416 8.4683 127.7935 55.1482 33.1710 174.5478 15 H 5.0849 7.8865 112.7557 54.9403 30.7239 174.2637 16 S 4.4846 8.2981 116.8479 58.4333 63.5258 174.6018 17 N 4.5726 8.8836 120.2551 56.2162 38.4427 176.6677 18 S 4.6135 7.8276 109.6127 58.6327 65.7025 174.9230 19 K 4.2583 7.9857 118.2528 56.4341 32.3645 176.5533 20 N 4.7170 8.6221 117.7349 53.6292 39.0550 175.0862 21 L 4.8509 7.5235 118.8019 52.4242 44.5656 174.3187 22 P 5.1115 0.0000 0.0000 62.7070 33.1344 174.7140 23 Y 4.5637 8.5852 116.9613 55.6178 41.6948 174.1043 24 Y 5.1188 8.7138 121.4372 56.5391 39.0031 174.4780 25 F 4.7058 8.9412 128.1644 57.9161 40.3190 174.1346 26 N 4.6351 8.2772 125.7477 51.3597 38.7335 173.2150 27 P 4.2380 0.0000 0.0000 65.1536 31.9508 177.1457 28 A 4.2824 7.9948 120.0767 52.8365 19.2745 177.1792 29 T 4.5686 7.4509 111.2704 61.4794 71.9701 175.1050 30 R 4.0487 8.3643 124.6337 55.8987 28.2597 174.9099 31 E 4.8506 7.7299 122.6168 55.7351 33.3775 173.1850 32 S 5.0357 8.3331 115.2701 57.0677 66.0268 173.3539 33 R 2.8890 8.6442 120.8834 54.0885 32.6912 175.8886 34 W 4.3828 8.1676 123.0220 57.4848 31.3387 175.5370 35 E 4.9177 8.0262 114.8337 53.5921 33.2074 172.8257 36 P 4.3630 0.0000 0.0000 62.5450 31.3620 174.7986 37 P 4.7245 0.0000 0.0000 61.0236 33.1936 176.4923 38 A 3.9798 8.4676 120.3439 55.2847 18.2349 178.0181 39 D 4.4973 8.0367 112.5334 55.3410 41.7964 175.7858 40 T 4.3161 7.5258 113.8206 62.2588 69.0664 173.1635 41 D 5.2887 8.4307 120.7059 56.2572 41.4318 177.4150 42 M 3.6703 7.4832 122.8139 58.5814 31.8308 179.1542 43 E 3.8786 8.5138 119.4842 59.7885 29.6495 178.6452 44 T 3.6803 7.7001 112.1557 64.9368 68.7755 175.8169 45 L 4.4940 7.1884 121.1186 55.9687 41.9348 178.8466 46 K 4.0362 8.0044 119.3559 59.3296 31.7857 178.8263 47 M 3.9188 8.0065 115.4504 57.6632 31.0220 175.8424 48 Y 4.5245 7.5020 117.6242 59.7258 40.8195 176.8093 49 M 3.7498 8.8448 120.2566 56.1738 32.5398 176.4360 50 A 4.7505 6.8331 120.4270 50.6628 22.2638 175.6477 51 T 4.1789 8.4311 117.1671 65.6029 69.5818 175.0859 52 Y 4.0961 7.6388 120.9060 57.0519 39.8808 174.7787 53 H 4.5304 7.2400 121.0800 55.9535 29.2635 174.0971 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 4.47 0.00 3.87 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 2 M 8.32 4.70 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 3 V 8.11 4.51 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 0.79 0.00 0.00 0.83 0.00 0.00 4 N 8.37 4.49 0.00 2.55 2.50 0.00 0.00 6.53 7.46 0.00 0.00 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 T 7.17 3.92 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 6 G 8.04 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 7 L 7.23 4.85 0.00 1.44 1.57 -0.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.49 0.00 2.23 2.22 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 9 A 8.73 3.29 1.07 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 10 G 7.43 3.71 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 0.00 0.00 0.00 11 W 6.74 4.69 0.00 3.04 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 12 E 8.36 5.51 0.00 2.30 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 0.00 2.23 2.20 0.00 13 V 8.52 4.19 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 1.05 0.00 0.00 0.85 0.00 0.00 14 R 8.47 4.64 0.00 0.67 1.20 0.00 3.10 0.00 0.00 2.99 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 15 H 7.89 5.08 0.00 3.15 3.26 0.00 5.72 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 16 S 8.30 4.48 0.00 3.99 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 17 N 8.88 4.57 0.00 2.73 2.90 0.00 0.00 6.75 7.58 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 18 S 7.83 4.61 0.00 3.81 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 19 K 7.99 4.26 0.00 1.78 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 20 N 8.62 4.72 0.00 2.73 2.87 0.00 0.00 6.93 7.87 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 21 L 7.52 4.85 0.00 1.61 1.60 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 5.11 0.00 2.13 2.20 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.12 0.00 23 Y 8.59 4.56 0.00 3.00 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 24 Y 8.71 5.12 0.00 2.92 2.84 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 25 F 8.94 4.71 0.00 3.00 3.08 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 0.00 0.00 0.00 0.00 26 N 8.28 4.64 0.00 2.58 2.64 0.00 0.00 7.05 7.71 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 27 P 0.00 4.24 0.00 2.20 2.27 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 28 A 7.99 4.28 1.16 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 0.00 0.00 29 T 7.45 4.57 4.12 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 1.15 0.00 0.00 30 R 8.36 4.05 0.00 1.78 1.91 0.00 3.26 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 31 E 7.73 4.85 0.00 1.97 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 32 S 8.33 5.04 0.00 4.00 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 33 R 8.64 2.89 0.00 1.64 1.76 0.00 2.96 0.00 0.00 2.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 34 W 8.17 4.38 0.00 3.45 3.07 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 35 E 8.03 4.92 0.00 2.11 1.96 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 2.36 2.36 0.00 36 P 0.00 4.36 0.00 2.25 2.17 0.00 3.92 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 37 P 0.00 4.72 0.00 2.30 2.33 0.00 3.75 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 38 A 8.47 3.98 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 39 D 8.04 4.50 0.00 2.65 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 40 T 7.53 4.32 4.37 0.00 0.00 0.00 0.00 0.00 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 41 D 8.43 5.29 0.00 2.69 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 42 M 7.48 3.67 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 43 E 8.51 3.88 0.00 2.02 1.93 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 2.36 2.38 0.00 44 T 7.70 3.68 4.25 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 1.04 0.00 0.00 45 L 7.19 4.49 0.00 1.91 1.78 0.92 0.81 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 46 K 8.00 4.04 0.00 1.97 1.77 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 47 M 8.01 3.92 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 48 Y 7.50 4.52 0.00 2.99 3.07 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 49 M 8.84 3.75 0.00 1.95 2.21 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.65 0.00 50 A 6.83 4.75 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 51 T 8.43 4.18 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 1.20 0.00 0.00 52 Y 7.64 4.10 0.00 2.89 2.83 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 53 H 7.24 4.53 0.00 2.91 3.03 0.00 5.80 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