NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.9847 8.0549 114.0631 60.8692 33.0235 174.5260 8 F 4.7424 8.2271 120.4265 55.2932 39.6533 175.3306 9 S 4.3718 9.1077 121.0496 57.9895 65.9968 174.7058 10 Q 3.8964 8.8097 123.8564 59.9051 28.6299 179.3300 11 A 4.0812 7.9025 120.7019 54.7796 18.6428 179.4699 12 Q 3.7694 7.6532 115.4042 59.0928 28.7698 178.7767 13 L 3.7864 8.0326 120.0712 58.0457 41.6597 179.4600 14 C 4.1014 7.8882 115.8365 62.7495 28.0929 176.0316 15 A 3.9641 7.9020 122.3283 54.9885 17.9279 179.7818 16 L 3.6406 7.6753 117.3927 57.8883 41.1916 179.9855 17 K 4.3190 8.4357 118.5876 59.3350 31.4127 179.0237 18 D 4.3499 8.2167 118.6851 57.1918 41.1222 178.2227 19 R 3.7843 8.0254 119.2953 59.4529 29.8780 178.3198 20 F 4.6419 8.0317 120.9537 60.7582 39.3992 176.9299 21 Q 3.8834 7.7089 116.6419 58.2205 28.4900 178.0658 22 K 4.3777 7.3585 118.3841 56.9762 32.8029 177.2355 23 Q 4.4136 8.1524 118.6605 54.1131 31.7623 176.0338 24 K 3.3744 8.6528 123.1577 57.9138 32.2706 176.9696 25 Y 4.8127 8.0692 116.3891 55.9487 40.7130 174.2712 26 L 4.7743 8.3658 124.2200 52.5243 44.5619 177.0640 27 S 4.4570 8.2312 116.3403 58.0597 64.9688 175.5866 28 L 4.1223 8.4171 122.0249 57.9021 41.3143 179.6237 29 Q 3.9045 7.9760 119.1529 59.3723 29.0610 178.1839 30 Q 4.1706 8.0775 118.9651 59.0890 28.7751 178.4698 31 M 4.0740 8.1489 119.8807 58.0697 31.6344 178.6125 32 Q 3.9745 7.9352 120.1068 59.0898 29.3501 177.9961 33 E 3.9548 8.2443 119.6484 59.4173 29.5715 179.1545 34 L 3.9909 8.3232 121.0300 58.0561 42.1284 179.1467 35 S 4.1488 8.1432 114.3204 61.3440 62.4843 176.7620 36 S 4.1141 7.8400 118.7050 61.5019 62.3495 176.6451 37 I 3.7301 7.4833 121.2445 63.9153 36.9463 177.7416 38 L 4.1890 7.6918 117.3728 54.0925 41.8328 176.5435 39 N 4.1708 7.3557 115.3910 54.4073 37.7228 173.6602 40 L 4.5656 7.4229 116.2057 52.3157 43.8514 176.2435 41 S 4.5012 8.2234 114.1366 57.8644 64.3105 174.6059 42 Y 4.2153 8.8424 123.6744 61.0127 38.3551 178.6374 43 K 3.6777 8.0112 119.9801 59.4826 32.3592 178.6867 44 Q 4.1716 8.1630 118.4034 58.6759 28.6278 178.6737 45 V 3.7400 7.7592 119.0119 65.8919 31.6160 177.8281 46 K 3.9112 7.7953 119.0713 59.8632 31.9050 178.9421 47 T 3.9410 8.0715 116.0816 66.2066 68.3468 176.5837 48 W 4.0314 8.3414 129.9670 60.4328 30.7308 178.0188 49 F 3.6933 8.6405 117.4726 60.5458 38.4399 177.2386 50 Q 3.9683 7.9990 118.7163 59.5575 28.5974 178.3959 51 N 4.2639 8.0261 116.1257 56.1931 38.7611 177.2515 52 Q 3.6655 7.4817 119.4091 58.8138 28.0774 178.8225 53 R 4.2591 8.0792 119.3254 59.7016 29.9566 178.6875 54 M 4.2882 7.8123 116.0829 57.0693 31.9800 178.1027 55 K 4.2142 7.7272 118.0102 57.0549 32.9920 176.8162 56 C 4.5161 7.3722 115.9762 57.1831 31.9171 174.7668 57 K 3.8843 8.8181 124.3754 59.9731 32.0156 178.9604 58 R 4.0545 7.7836 113.9302 57.6349 29.2328 176.7651 59 W 5.0880 7.8008 117.5486 56.5923 29.3505 176.1362 60 Q 4.7903 8.0100 123.2007 55.3154 28.6190 175.4268 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 V 8.05 3.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.94 0.00 0.00 8 F 8.23 4.74 0.00 3.03 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 S 9.11 4.37 0.00 4.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.81 3.90 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 11 A 7.90 4.08 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 12 Q 7.65 3.77 0.00 2.22 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 13 L 8.03 3.79 0.00 1.88 1.75 1.01 1.12 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 14 C 7.89 4.10 0.00 3.15 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 15 A 7.90 3.96 1.26 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 0.00 0.00 16 L 7.68 3.64 0.00 0.97 0.13 -0.10 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.44 4.32 0.00 1.87 1.96 0.00 1.89 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.77 7.81 18 D 8.22 4.35 0.00 2.97 2.65 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 19 R 8.03 3.78 0.00 2.19 2.27 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 20 F 8.03 4.64 0.00 3.02 3.16 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 21 Q 7.71 3.88 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.68 0.00 22 K 7.36 4.38 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 23 Q 8.15 4.41 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 24 K 8.65 3.37 0.00 1.71 1.45 0.00 0.84 0.00 0.00 0.61 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.18 7.81 25 Y 8.07 4.81 0.00 2.96 2.87 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 0.00 0.00 0.00 0.00 26 L 8.37 4.77 0.00 1.28 1.42 1.03 0.62 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 27 S 8.23 4.46 0.00 4.10 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 28 L 8.42 4.12 0.00 1.71 1.77 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.98 3.90 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 30 Q 8.08 4.17 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 31 M 8.15 4.07 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.18 0.00 32 Q 7.94 3.97 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 33 E 8.24 3.95 0.00 2.26 1.97 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 2.31 2.29 0.00 34 L 8.32 3.99 0.00 1.80 1.63 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.14 4.15 0.00 4.35 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 0.00 36 S 7.84 4.11 0.00 4.02 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 37 I 7.48 3.73 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 1.50 0.44 0.87 0.00 0.00 38 L 7.69 4.19 0.00 1.59 1.51 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.36 4.17 0.00 2.82 2.86 0.00 0.00 7.09 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 40 L 7.42 4.57 0.00 1.54 1.51 -0.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.22 4.50 0.00 4.07 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 42 Y 8.84 4.22 0.00 2.99 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 3.68 0.00 1.86 1.80 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.49 7.81 44 Q 8.16 4.17 0.00 2.47 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 45 V 7.76 3.74 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 1.03 0.00 0.00 0.86 0.00 0.00 46 K 7.80 3.91 0.00 1.51 1.69 0.00 1.34 0.00 0.00 1.45 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.40 7.81 47 T 8.07 3.94 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 1.27 0.00 0.00 48 W 8.34 4.03 0.00 3.75 3.58 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 49 F 8.64 3.69 0.00 3.14 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 50 Q 8.00 3.97 0.00 2.13 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 51 N 8.03 4.26 0.00 2.58 2.67 0.00 0.00 7.13 8.22 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 52 Q 7.48 3.67 0.00 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 53 R 8.08 4.26 0.00 1.98 2.03 0.00 2.52 0.00 0.00 2.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 54 M 7.81 4.29 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.95 0.00 55 K 7.73 4.21 0.00 1.90 1.77 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.53 7.81 56 C 7.37 4.52 0.00 1.87 2.05 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 57 K 8.82 3.88 0.00 1.95 2.06 0.00 1.31 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.44 7.81 58 R 7.78 4.05 0.00 1.93 2.02 0.00 2.96 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.31 0.00 59 W 7.80 5.09 0.00 3.49 3.09 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 0.00 0.00 0.00 0.00 60 Q 8.01 4.79 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00