NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9422 8.3549 109.7366 44.2215 0.0000 177.3446 2 P 4.1027 0.0000 0.0000 61.2856 31.4958 173.2457 3 L 4.4771 9.9233 123.9721 52.8989 44.0837 174.2464 4 G 3.0465 8.3899 114.5715 45.0319 0.0000 172.0359 5 S 4.2673 7.7332 121.8612 58.2212 63.8755 174.5762 6 K 4.2611 8.0833 122.5590 55.6679 33.5445 174.9128 7 Y 3.4682 8.0847 120.1792 58.6254 34.7251 169.7478 8 E 4.6042 7.6473 119.7866 54.0139 33.5643 174.5692 9 C 4.4859 8.5950 125.2270 57.5177 31.3029 172.7231 10 P 4.3815 0.0000 0.0000 65.2293 31.4034 177.9441 11 I 3.8880 8.1167 119.9824 63.8758 36.9596 176.3713 12 C 4.6636 7.9858 112.0007 56.7970 30.8587 173.7828 13 L 3.8164 8.0835 119.3803 56.3619 39.5397 173.9098 14 M 4.7549 7.1449 112.6369 52.7825 35.1970 175.6224 15 A 4.3490 8.2602 122.7759 51.9900 19.0892 177.6000 16 L 4.0298 8.3202 120.7618 54.6883 42.0525 176.9851 17 R 4.1947 8.6218 124.8145 55.9622 30.3168 177.3025 18 E 3.7528 9.0961 123.7418 55.7870 28.5617 173.9014 19 A 3.7278 7.6181 117.6290 52.9567 15.4794 174.2659 20 V 4.7147 8.9034 113.4091 60.2440 33.7457 175.1275 21 Q 4.8500 9.2238 128.8402 55.9757 30.2570 175.4543 22 T 4.8954 9.1716 117.3257 60.0402 70.5804 174.1540 23 P 4.3281 0.0000 0.0000 65.4711 31.4747 177.2829 24 C 4.1444 8.0707 118.5539 60.9008 31.6365 174.0701 25 G 3.9806 8.5138 107.3137 45.0877 0.0000 172.5136 26 H 4.8096 8.1838 117.5973 54.3718 30.7303 174.2292 27 R 5.1148 8.2719 121.3809 54.8170 31.9928 175.4629 28 F 5.0652 9.0128 120.7482 55.4658 44.0113 174.0312 29 C 4.8058 8.7686 117.2120 59.8819 28.7708 174.9824 30 K 4.1648 9.1173 123.0223 58.3623 31.7434 177.7980 31 A 4.6020 7.9710 120.2796 53.9699 20.5431 177.9155 32 C 4.0541 8.0382 113.7929 63.0433 28.6625 175.7144 33 I 3.5998 7.5378 120.2837 63.9526 37.5408 177.9928 34 I 3.6791 7.6326 120.2894 64.1036 36.8675 177.4319 35 K 4.2117 8.0669 117.2262 57.4967 31.9078 177.5943 36 S 4.5663 7.9220 114.1136 59.5193 63.7980 175.3714 37 I 4.8715 7.7740 115.3697 60.4772 38.5687 176.2793 38 R 4.3057 7.6264 114.7389 55.7151 29.8374 175.3143 39 D 4.5787 7.9963 115.8824 56.0592 42.6038 176.5020 40 A 4.2611 7.4599 119.9203 52.2660 19.8493 176.8079 41 G 3.9224 7.5153 98.1818 45.6880 0.0000 172.0492 42 H 4.8328 8.4510 119.0155 54.2516 27.3929 174.3082 43 K 5.1967 7.7359 119.3762 55.3305 36.2030 175.6174 44 C 4.2624 9.0268 118.0725 56.8757 30.3226 173.0529 45 P 4.3455 0.0000 0.0000 65.5259 31.3316 178.0016 46 V 3.7574 8.0678 118.2731 65.4165 31.4698 176.0663 47 D 4.8042 7.5610 113.4316 51.9166 40.4133 174.5715 48 N 4.2599 8.5607 115.9890 54.6784 36.6979 174.1433 49 E 4.4225 7.9647 116.0051 55.6606 31.5402 176.6067 50 I 4.3260 8.3534 124.0608 61.5580 37.7381 175.1404 51 L 4.8014 8.4494 129.3394 53.1903 44.5018 175.6603 52 L 4.8280 8.3466 125.1003 52.6128 44.7918 177.2509 53 E 3.9613 8.7234 121.0626 59.5702 29.5528 179.1296 54 N 4.3901 7.9108 113.9837 54.7365 37.7850 175.8220 55 Q 4.2005 7.5684 117.1246 57.3822 29.2699 176.0821 56 L 4.5011 7.1684 118.4367 54.5109 42.4968 176.6412 57 F 4.8217 8.9305 121.5281 54.7907 42.6069 172.7709 58 P 4.8275 0.0000 0.0000 62.8469 31.8486 175.6993 59 D 4.5005 9.5594 125.3168 54.1432 42.0790 175.5533 60 N 4.3272 8.7850 124.8296 52.6435 38.2732 173.9735 61 F 4.6640 7.5216 119.5585 56.6727 38.3433 176.2490 62 A 4.3353 7.2817 121.9593 52.5124 18.7282 178.0963 63 K 4.1522 7.7834 120.8772 57.0027 32.9970 176.6841 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 G 8.35 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 2.13 2.00 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 3 L 9.92 4.48 0.00 1.59 1.56 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.39 3.05 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 0.00 0.00 0.00 5 S 7.73 4.27 0.00 3.83 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 6 K 8.08 4.26 0.00 1.87 1.80 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.41 7.81 7 Y 8.08 3.47 0.00 3.08 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 8 E 7.65 4.60 0.00 1.86 1.74 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 2.19 2.42 0.00 9 C 8.59 4.49 0.00 3.10 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 10 P 0.00 4.38 0.00 2.28 2.21 0.00 4.07 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 11 I 8.12 3.89 1.94 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.96 0.00 0.00 12 C 7.99 4.66 0.00 3.08 3.15 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 0.00 0.00 0.00 0.00 13 L 8.08 3.82 0.00 1.81 1.79 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 M 7.14 4.75 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.44 0.00 15 A 8.26 4.35 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 16 L 8.32 4.03 0.00 1.65 1.67 0.99 0.87 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 17 R 8.62 4.19 0.00 1.89 1.83 0.00 3.33 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 18 E 9.10 3.75 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 19 A 7.62 3.73 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 20 V 8.90 4.71 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 0.73 0.00 0.00 1.07 0.00 0.00 21 Q 9.22 4.85 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 22 T 9.17 4.90 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 23 P 0.00 4.33 0.00 2.26 2.32 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 24 C 8.07 4.14 0.00 3.06 3.15 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 0.00 0.00 0.00 0.00 25 G 8.51 3.98 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 0.00 0.00 0.00 26 H 8.18 4.81 0.00 3.31 2.74 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.27 5.11 0.00 1.73 1.88 0.00 3.28 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 28 F 9.01 5.07 0.00 2.94 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 29 C 8.77 4.81 0.00 2.95 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 30 K 9.12 4.16 0.00 1.81 1.87 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.43 7.81 31 A 7.97 4.60 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 32 C 8.04 4.05 0.00 3.01 3.03 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 0.00 0.00 0.00 33 I 7.54 3.60 1.73 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.05 1.02 0.00 0.00 34 I 7.63 3.68 1.99 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 1.51 0.69 0.89 0.00 0.00 35 K 8.07 4.21 0.00 1.76 1.84 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 36 S 7.92 4.57 0.00 3.90 3.76 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 37 I 7.77 4.87 1.81 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.99 0.96 0.00 0.00 38 R 7.63 4.31 0.00 1.91 2.02 0.00 3.00 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.50 0.00 39 D 8.00 4.58 0.00 2.57 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 40 A 7.46 4.26 1.25 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 41 G 7.52 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 0.00 0.00 0.00 42 H 8.45 4.83 0.00 3.16 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.74 5.20 0.00 1.70 1.72 0.00 1.54 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.39 7.81 44 C 9.03 4.26 0.00 3.13 3.15 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 0.00 0.00 0.00 0.00 45 P 0.00 4.35 0.00 2.19 2.18 0.00 3.32 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 46 V 8.07 3.76 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 0.75 0.00 0.00 1.02 0.00 0.00 47 D 7.56 4.80 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.56 4.26 0.00 2.87 2.95 0.00 0.00 7.03 7.38 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 49 E 7.96 4.42 0.00 1.96 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 2.62 2.33 0.00 50 I 8.35 4.33 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.95 0.00 0.00 51 L 8.45 4.80 0.00 1.65 1.49 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.35 4.83 0.00 1.71 1.53 0.74 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.72 3.96 0.00 2.04 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 2.40 2.37 0.00 54 N 7.91 4.39 0.00 2.75 2.88 0.00 0.00 6.02 7.38 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 55 Q 7.57 4.20 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 56 L 7.17 4.50 0.00 1.60 1.58 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.93 4.82 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.83 0.00 1.99 2.07 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 59 D 9.56 4.50 0.00 2.75 2.75 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 0.00 0.00 0.00 60 N 8.79 4.33 0.00 2.63 2.67 0.00 0.00 6.88 6.87 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 61 F 7.52 4.66 0.00 3.09 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 62 A 7.28 4.34 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.78 4.15 0.00 1.84 1.77 0.00 1.49 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.63 7.81