NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2529 8.4449 120.2245 55.8374 31.5024 174.8687 2 T 4.2281 7.7892 116.7156 61.3625 69.8562 172.3040 3 S 4.7559 8.8775 122.9235 56.7629 67.4429 172.8401 4 Y 4.7116 8.1903 118.6369 56.8173 41.3768 175.1137 5 T 4.8069 8.4827 120.1050 61.6938 72.4161 173.0932 6 L 4.7893 8.2979 124.8490 53.5213 45.2904 175.1333 7 N 5.1253 8.5164 121.7056 51.6755 42.1132 173.2272 8 E 4.6187 8.3568 120.4389 55.0973 32.6064 174.2646 9 V 4.0082 8.2228 123.5297 61.6059 32.1228 175.7243 10 V 4.3852 8.1557 126.7301 60.3558 32.9165 173.5999 11 P 4.6137 0.0000 0.0000 61.5189 29.5425 176.5385 12 L 4.0753 8.4561 127.5999 58.9273 41.5806 178.4553 13 K 3.8379 8.0701 117.5960 59.5312 32.0167 177.8913 14 E 3.9403 7.8358 117.3557 57.6800 29.4125 177.2705 15 F 4.9175 7.7036 116.3036 57.5655 41.1691 175.8661 16 V 4.4624 7.4395 117.8430 59.9515 33.6198 173.0518 17 P 4.5777 0.0000 0.0000 62.2386 31.9726 176.5966 18 E 3.9742 8.7765 118.7245 58.4003 29.5058 177.8074 19 W 4.5941 8.0751 117.9906 54.8333 30.8960 175.3603 20 V 4.6525 8.3162 115.1901 59.6746 35.1206 174.6904 21 R 4.7422 8.3600 119.3483 54.3998 32.5879 175.7284 22 I 4.5691 7.6289 112.7242 59.0915 40.6123 175.9422 23 G 3.7837 7.2217 107.0053 46.0342 0.0000 172.2751 24 F 4.9887 8.4952 117.4148 55.6113 42.3863 174.5109 25 S 4.7179 8.3959 115.9026 56.8839 65.9527 172.9453 26 A 4.6005 8.1339 123.1182 51.4917 21.8930 175.2752 27 T 4.6978 7.7856 108.5169 60.6676 71.6996 172.6420 28 T 4.9699 8.1802 111.2788 60.2891 73.3340 175.1100 29 G 4.2485 8.5047 113.0610 45.4775 0.0000 176.1617 30 A 4.1622 9.1576 129.2083 53.4953 18.6687 177.5818 31 E 4.7656 7.8570 114.5268 54.7709 32.7024 174.2820 32 F 5.0968 7.1657 113.2150 56.5047 40.4164 172.7815 33 A 4.4157 8.0950 121.3808 51.5169 21.3871 175.7473 34 A 4.3726 8.4146 122.7906 51.6783 19.6743 177.0993 35 H 4.8047 8.6037 118.1763 54.0018 31.2813 173.1837 36 E 4.6577 8.4903 122.8047 54.4003 33.4410 174.8904 37 V 4.1930 8.0771 120.8021 61.1283 33.5601 175.3801 38 L 4.4952 8.3196 125.9214 55.8520 42.8484 176.4931 39 S 4.7764 7.5985 109.9822 57.2874 65.3508 173.5534 40 W 5.5153 8.5844 130.3607 56.3235 33.5327 173.3200 41 Y 4.8588 8.9731 125.3894 55.6933 41.2524 174.1644 42 F 4.2828 7.5921 126.8677 56.4072 42.5966 173.1000 43 H 4.5037 7.2400 125.7837 54.1248 32.5950 172.3727 44 S 4.4738 7.9611 119.8628 56.2380 65.8911 172.9235 45 E 4.3462 8.3419 121.4193 54.4181 32.0509 174.2742 46 L 4.4268 8.3173 127.6643 52.7425 43.1859 175.6954 47 A 4.1521 8.5152 128.0587 52.5021 18.2642 176.8627 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 E 8.44 4.25 0.00 1.94 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 0.00 2.20 2.38 0.00 2 T 7.79 4.23 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 1.12 0.00 0.00 3 S 8.88 4.76 0.00 3.69 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 4 Y 8.19 4.71 0.00 2.96 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 5 T 8.48 4.81 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 1.24 0.00 0.00 6 L 8.30 4.79 0.00 1.55 1.50 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.52 5.13 0.00 2.69 2.67 0.00 0.00 6.75 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 8 E 8.36 4.62 0.00 1.87 1.78 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 2.20 2.37 0.00 9 V 8.22 4.01 2.11 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 0.86 0.00 0.00 0.95 0.00 0.00 10 V 8.16 4.39 2.15 0.00 0.00 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 0.95 0.00 0.00 11 P 0.00 4.61 0.00 2.14 2.18 0.00 4.09 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 12 L 8.46 4.08 0.00 1.78 1.82 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.07 3.84 0.00 1.69 1.77 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.49 7.81 14 E 7.84 3.94 0.00 1.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 15 F 7.70 4.92 0.00 3.04 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 16 V 7.44 4.46 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.00 0.00 0.00 17 P 0.00 4.58 0.00 2.37 2.05 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 18 E 8.78 3.97 0.00 1.99 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 2.27 2.33 0.00 19 W 8.08 4.59 0.00 3.26 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 20 V 8.32 4.65 2.10 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 0.78 0.00 0.00 0.94 0.00 0.00 21 R 8.36 4.74 0.00 1.78 1.82 0.00 3.15 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 22 I 7.63 4.57 1.76 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.52 0.78 0.00 0.00 23 G 7.22 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 24 F 8.50 4.99 0.00 2.80 2.68 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 25 S 8.40 4.72 0.00 3.90 3.77 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 26 A 8.13 4.60 1.02 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 0.00 0.00 27 T 7.79 4.70 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 1.20 0.00 0.00 28 T 8.18 4.97 4.57 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 1.37 0.00 0.00 29 G 8.50 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 0.00 0.00 0.00 0.00 30 A 9.16 4.16 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 31 E 7.86 4.77 0.00 1.95 1.66 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 2.18 2.22 0.00 32 F 7.17 5.10 0.00 3.09 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 33 A 8.10 4.42 1.11 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 34 A 8.41 4.37 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 35 H 8.60 4.80 0.00 3.07 3.16 0.00 5.65 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 36 E 8.49 4.66 0.00 1.84 1.73 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 2.17 2.24 0.00 37 V 8.08 4.19 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 0.41 0.00 0.00 0.08 0.00 0.00 38 L 8.32 4.50 0.00 1.64 1.71 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.60 4.78 0.00 4.06 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 40 W 8.58 5.52 0.00 3.25 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 41 Y 8.97 4.86 0.00 2.99 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 42 F 7.59 4.28 0.00 2.44 2.31 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 43 H 7.24 4.50 0.00 2.85 2.90 0.00 5.72 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 44 S 7.96 4.47 0.00 3.88 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.34 4.35 0.00 1.80 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 46 L 8.32 4.43 0.00 1.47 1.45 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.52 4.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00