NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3037 8.3444 119.6995 54.9825 30.9738 174.9460 4 W 4.2848 8.1577 126.9316 54.7854 32.2116 173.7483 5 S 4.6778 8.6409 121.0091 56.5701 64.3055 173.8374 6 E 4.2223 8.9244 130.2085 59.3871 29.2257 178.9112 7 E 3.9147 8.1445 118.9638 59.2528 29.8228 178.8446 8 V 3.4881 7.7551 118.2129 65.8733 31.5803 177.3282 9 E 3.8646 8.0629 118.9714 59.6741 29.4404 179.2058 10 R 4.0231 8.3481 118.1420 59.0766 30.0445 179.2151 11 K 4.0275 8.3482 118.6248 59.4124 32.1044 179.4514 12 L 4.0561 8.1053 119.3217 57.7978 41.5213 179.7374 13 K 4.0801 8.2905 118.5216 59.3727 31.9302 179.0880 14 E 4.0355 8.5204 119.8823 58.9022 29.5439 178.4756 15 F 4.2101 8.5357 121.1290 61.4229 39.4337 177.3933 16 V 3.2374 7.8120 117.5576 65.7451 31.3033 177.7559 17 R 3.8456 8.3296 118.9252 59.7702 29.8786 178.7536 18 R 3.8926 8.4024 118.1031 59.3184 30.0038 178.4712 19 H 3.9658 8.0838 118.1875 59.1994 29.7308 177.1475 20 Q 3.8759 8.0188 121.4076 58.9822 28.8021 177.8133 21 E 3.8745 8.3088 120.4453 59.3388 29.6677 178.6878 22 I 3.6558 8.0504 120.2557 64.7193 37.0597 178.5244 23 T 3.7803 7.8540 116.3087 66.7567 68.3024 176.7579 24 Q 3.9857 8.3539 120.2437 59.0784 28.6746 178.8002 25 E 4.0307 8.5284 119.9631 59.6802 29.3960 179.5688 26 T 3.8784 8.3034 116.2348 66.6559 68.5185 176.8063 27 L 4.1059 8.3070 121.2747 57.9037 41.6048 179.1419 28 H 4.2482 8.3489 118.4244 59.2339 29.7794 176.9915 29 E 4.0675 8.4819 121.4006 59.3648 29.3703 178.0920 30 Y 4.2778 8.4762 119.7726 60.6946 38.7642 177.9507 31 A 3.7996 8.1312 121.6750 55.0905 18.4785 179.5381 32 Q 3.8750 8.0270 116.4539 59.1270 28.8482 179.3643 33 K 3.9584 8.2244 119.4841 59.5301 32.0587 179.4304 34 L 4.0144 8.1408 119.6921 57.6496 41.3596 179.8505 35 G 3.5591 8.3307 105.9881 47.8278 0.0000 175.7391 36 L 3.9742 8.0359 121.5556 57.4635 41.6415 179.2238 37 N 4.2987 8.0036 116.6667 56.5789 38.9035 176.8634 38 Q 3.9788 8.3131 121.4923 59.1772 29.1998 178.1533 39 Q 4.2420 8.4506 118.5679 58.8967 28.6605 178.4296 40 A 3.9605 7.7372 123.2813 55.1395 18.2493 179.4532 41 I 3.6393 7.4258 115.5009 63.9732 38.1532 177.7312 42 E 4.4584 8.4443 122.3287 59.9759 29.2340 179.2608 43 Q 4.3025 8.0808 118.0237 58.4690 28.7149 179.3207 44 F 4.7135 8.0273 120.8134 60.7155 39.2434 174.0985 45 F 4.3034 7.3955 120.3607 56.8589 38.1894 176.5982 46 R 4.8032 8.1809 122.5966 55.0910 30.2377 172.7319 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 3 Q 8.34 4.30 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 4 W 8.16 4.28 0.00 3.49 2.95 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 0.00 0.00 0.00 0.00 5 S 8.64 4.68 0.00 3.84 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 6 E 8.92 4.22 0.00 2.11 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 0.00 2.60 2.41 0.00 7 E 8.14 3.91 0.00 2.04 1.94 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 2.37 2.38 0.00 8 V 7.76 3.49 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 0.80 0.00 0.00 0.85 0.00 0.00 9 E 8.06 3.86 0.00 2.07 2.24 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 2.42 2.53 0.00 10 R 8.35 4.02 0.00 1.98 1.99 0.00 3.23 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 11 K 8.35 4.03 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.62 7.81 12 L 8.11 4.06 0.00 1.94 1.75 0.86 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.29 4.08 0.00 2.03 1.90 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.61 7.81 14 E 8.52 4.04 0.00 2.17 2.14 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 2.34 2.41 0.00 15 F 8.54 4.21 0.00 3.10 3.28 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 0.00 0.00 0.00 16 V 7.81 3.24 2.23 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 0.91 0.00 0.00 1.07 0.00 0.00 17 R 8.33 3.85 0.00 1.98 2.05 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 18 R 8.40 3.89 0.00 1.86 1.94 0.00 3.36 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 19 H 8.08 3.97 0.00 2.85 3.20 0.00 5.78 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 20 Q 8.02 3.88 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 21 E 8.31 3.87 0.00 2.12 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 2.34 2.33 0.00 22 I 8.05 3.66 1.89 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 1.49 0.60 0.86 0.00 0.00 23 T 7.85 3.78 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 1.17 0.00 0.00 24 Q 8.35 3.99 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 25 E 8.53 4.03 0.00 2.03 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 0.00 2.33 2.46 0.00 26 T 8.30 3.88 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 1.14 0.00 0.00 27 L 8.31 4.11 0.00 1.91 1.78 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.35 4.25 0.00 3.33 3.50 0.00 5.78 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 29 E 8.48 4.07 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 30 Y 8.48 4.28 0.00 3.08 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 31 A 8.13 3.80 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 0.00 0.00 0.00 0.00 0.00 32 Q 8.03 3.87 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 33 K 8.22 3.96 0.00 1.95 1.87 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.68 7.81 34 L 8.14 4.01 0.00 1.40 1.53 0.15 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.33 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 0.00 0.00 0.00 0.00 36 L 8.04 3.97 0.00 1.85 1.72 0.91 0.44 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 37 N 8.00 4.30 0.00 2.76 2.94 0.00 0.00 6.83 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.31 3.98 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 39 Q 8.45 4.24 0.00 2.31 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 40 A 7.74 3.96 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 41 I 7.43 3.64 1.85 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 1.58 0.85 1.01 0.00 0.00 42 E 8.44 4.46 0.00 2.27 2.06 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 2.44 2.52 0.00 43 Q 8.08 4.30 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 44 F 8.03 4.71 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 7.40 4.30 0.00 3.10 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 46 R 8.18 4.80 0.00 1.77 1.62 0.00 3.19 0.00 0.00 3.92 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.11 0.00