NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4556 8.3049 120.3480 55.8492 32.5898 175.9379 2 Q 4.4524 7.8438 128.9115 53.0409 30.0894 174.1318 3 K 4.8345 8.3782 110.7943 57.0980 36.5296 176.0026 4 D 5.2860 8.2380 120.2770 54.0865 42.0280 176.4660 5 L 4.6240 8.2458 119.7209 56.6173 41.9898 177.2956 6 H 4.6219 8.0837 122.1283 55.3399 27.0887 174.2478 7 P 4.5326 0.0000 0.0000 62.3894 29.4809 176.3583 8 K 4.0595 8.0666 115.2628 56.8816 31.4699 175.9180 9 A 4.8625 7.7849 122.4513 51.3610 21.1386 177.5457 10 V 4.2447 7.8963 114.9634 63.1231 34.3693 171.4237 11 P 4.7727 0.0000 0.0000 63.5043 32.5755 175.8108 12 C 3.7117 8.3764 115.0634 59.6276 26.3365 173.2490 13 K 3.8881 9.0934 118.7100 56.0671 30.6060 174.3501 14 I 3.4720 7.8484 115.3800 62.5292 34.8930 172.2368 15 I 3.9410 7.1845 127.0361 59.4580 36.0184 175.1646 16 Y 4.0936 7.7514 120.1628 57.7731 39.0568 173.7972 17 Q 4.7960 8.3080 123.8585 55.7884 30.7086 173.7050 18 G 4.0584 8.0834 113.1931 44.7178 0.0000 171.5424 19 Q 4.2780 7.8808 118.4644 55.2471 31.6432 177.0361 20 V 4.4175 7.9992 115.0280 61.4851 32.8309 176.4984 21 V 3.9410 7.5058 123.1366 64.4944 31.4323 177.3786 22 M 3.2823 9.1154 107.8150 55.7577 28.5249 175.3398 23 E 5.3363 7.1050 127.4189 56.5404 31.0573 180.6561 24 T 3.5983 8.0120 114.6928 65.8609 70.6489 176.2077 25 M 4.3243 7.5887 121.3253 54.5555 31.3010 176.9456 26 S 4.4144 7.9789 111.2110 59.3348 64.2606 170.0597 27 T 3.0393 7.9590 108.8947 62.8607 69.9816 170.6149 28 R 5.0279 7.8246 119.6772 54.3321 33.6070 173.7829 29 P 4.9090 0.0000 0.0000 61.9856 33.9596 173.4402 30 E 4.8149 8.3341 116.5401 55.6246 33.0102 173.3055 31 I 4.7872 7.9735 119.1943 60.4007 41.8308 175.8377 32 H 4.2472 9.3792 127.4692 57.0799 32.4434 177.5725 33 V 3.2974 6.0147 123.9026 57.8306 34.9605 174.0605 34 D 4.8533 7.9875 118.8629 54.0313 41.3026 174.7076 35 V 4.8435 7.7300 118.5586 61.5460 34.8359 174.5707 36 W 5.6085 8.7131 119.8603 55.9393 32.9444 175.0790 37 S 4.5349 9.2715 117.7969 57.7380 65.2386 171.9626 38 G 4.1628 8.8785 109.5472 46.3142 0.0000 172.2929 39 V 5.0044 7.4571 131.7316 63.6852 33.9684 170.1766 40 H 4.7889 8.0378 127.1139 55.1061 32.9532 170.9903 41 P 5.0616 0.0000 0.0000 63.5443 31.0410 176.5269 42 F 4.3659 9.5479 120.1929 57.2890 43.1305 170.8852 43 W 6.0597 5.8087 117.6617 53.6700 30.6325 174.3325 44 T 4.6342 8.5551 111.9070 59.8549 72.1171 172.3832 45 G 4.2230 8.4999 108.3547 44.0369 0.0000 171.1259 46 E 4.8820 10.7303 124.4613 54.7393 30.5725 178.1815 47 E 5.7389 8.1625 130.3422 57.1957 31.1603 175.3558 48 R 3.8382 7.9629 121.2925 55.8633 33.2821 176.5302 49 F 3.5907 8.0686 113.9295 58.5644 34.6490 176.3544 50 L 3.1614 9.3944 120.7379 56.5818 38.5757 175.6295 51 D 3.9480 8.1327 120.2155 53.9398 40.5124 174.1834 52 T 4.6516 8.5629 123.3749 61.6248 68.1445 172.9733 53 E 4.6982 7.4329 124.2016 56.2127 28.9673 174.2637 54 G 4.5591 7.0540 103.6473 45.7154 0.0000 174.7929 55 R 4.9141 9.1446 128.1650 54.1478 31.1258 175.0762 56 V 3.3757 6.1360 114.9695 63.2155 34.5564 173.4127 57 D 5.8500 7.9165 124.2724 51.6714 44.2909 176.4294 58 K 4.4247 8.8417 115.3614 57.5057 32.3052 176.5182 59 F 3.8894 8.3350 110.5525 58.0419 41.5273 178.5512 60 N 3.5840 8.6436 116.8184 57.0547 39.9255 176.3416 61 K 3.9363 10.7800 120.8876 59.5709 32.3544 179.4701 62 R 4.3039 8.1296 116.0160 58.5866 31.4809 178.1532 63 F 4.9676 9.0515 123.0253 57.5522 37.6567 179.6618 64 G 4.0050 8.7476 117.7130 49.3359 0.0000 175.3163 65 D 4.3735 7.5689 117.8019 56.3282 39.0948 178.7259 66 S 4.0985 9.2085 117.0747 61.6412 64.6965 176.0942 67 Y 4.6705 7.7633 120.4941 56.8280 36.0186 178.3115 68 R 4.9137 8.4674 135.0000 57.2366 31.7440 173.6987 69 R 4.6103 8.2026 122.0767 55.9517 30.9190 176.7870 70 G 4.3408 7.1458 103.5661 45.7009 0.0000 173.7652 71 S 4.6593 7.4763 114.6648 58.2531 66.9167 176.5908 72 K 4.5988 8.3360 131.3561 56.3138 30.7851 176.7633 73 K 4.1045 8.4355 127.6218 57.6094 32.4779 175.6852 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 M 8.30 4.46 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 Q 7.84 4.45 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.30 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 3 K 8.38 4.83 0.00 1.78 1.90 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.49 7.81 4 D 8.24 5.29 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.62 0.00 2.04 1.88 0.68 0.99 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 6 H 8.08 4.62 0.00 3.27 3.70 0.00 5.89 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.53 0.00 2.20 2.16 0.00 4.07 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 8 K 8.07 4.06 0.00 1.82 2.13 0.00 1.61 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.19 7.81 9 A 7.78 4.86 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 10 V 7.90 4.24 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 0.63 0.00 0.00 0.77 0.00 0.00 11 P 0.00 4.77 0.00 2.32 2.19 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.58 0.00 12 C 8.38 3.71 0.00 3.15 3.34 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 13 K 9.09 3.89 0.00 1.93 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.49 7.81 14 I 7.85 3.47 2.40 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 1.54 0.00 0.00 15 I 7.18 3.94 1.54 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.28 0.07 0.00 0.00 16 Y 7.75 4.09 0.00 2.82 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 17 Q 8.31 4.80 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 18 G 8.08 4.06 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 0.00 0.00 0.00 19 Q 7.88 4.28 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.13 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 20 V 8.00 4.42 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 0.76 0.00 0.00 0.86 0.00 0.00 21 V 7.51 3.94 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 0.84 0.00 0.00 0.92 0.00 0.00 22 M 9.12 3.28 0.00 2.17 2.32 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 2.45 2.46 0.00 23 E 7.10 5.34 0.00 1.96 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 2.27 2.21 0.00 24 T 8.01 3.60 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 25 M 7.59 4.32 0.00 2.02 2.13 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 2.60 2.47 0.00 26 S 7.98 4.41 0.00 4.04 4.28 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 27 T 7.96 3.04 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 1.21 0.00 0.00 28 R 7.82 5.03 0.00 1.71 1.85 0.00 3.15 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 29 P 0.00 4.91 0.00 1.93 2.25 0.00 3.73 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 1.79 2.29 0.00 30 E 8.33 4.81 0.00 1.98 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 2.19 2.33 0.00 31 I 7.97 4.79 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 1.36 0.94 0.92 0.00 0.00 32 H 9.38 4.25 0.00 3.30 2.59 0.00 5.92 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 33 V 6.01 3.30 2.03 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 0.82 0.00 0.00 1.03 0.00 0.00 34 D 7.99 4.85 0.00 2.62 2.71 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 35 V 7.73 4.84 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 0.94 0.00 0.00 1.00 0.00 0.00 36 W 8.71 5.61 0.00 3.12 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 37 S 9.27 4.53 0.00 3.83 3.74 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 0.00 0.00 0.00 38 G 8.88 4.16 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 0.00 39 V 7.46 5.00 2.12 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 0.71 0.00 0.00 1.07 0.00 0.00 40 H 8.04 4.79 0.00 3.11 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 5.06 0.00 2.39 2.00 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 42 F 9.55 4.37 0.00 2.88 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 43 W 5.81 6.06 0.00 2.99 3.04 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 44 T 8.56 4.63 4.28 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 1.28 0.00 0.00 45 G 8.50 4.22 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 0.00 46 E 10.73 4.88 0.00 1.94 1.12 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 2.17 2.27 0.00 47 E 8.16 5.74 0.00 2.00 1.89 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 2.04 1.97 0.00 48 R 7.96 3.84 0.00 1.13 1.28 0.00 2.91 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 49 F 8.07 3.59 0.00 3.19 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 L 9.39 3.16 0.00 1.76 1.80 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.13 3.95 0.00 2.84 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 52 T 8.56 4.65 4.21 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 1.31 0.00 0.00 53 E 7.43 4.70 0.00 2.16 2.13 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 2.22 2.20 0.00 54 G 7.05 4.56 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 55 R 9.14 4.91 0.00 2.07 1.55 0.00 2.95 0.00 0.00 2.90 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.23 0.00 56 V 6.14 3.38 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 1.28 0.00 0.00 -0.59 0.00 0.00 57 D 7.92 5.85 0.00 2.77 2.71 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 58 K 8.84 4.42 0.00 1.62 0.74 0.00 0.83 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.98 1.31 7.81 59 F 8.34 3.89 0.00 3.24 3.19 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 0.00 0.00 0.00 60 N 8.64 3.58 0.00 2.96 3.29 0.00 0.00 6.86 8.19 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 61 K 10.78 3.94 0.00 1.73 1.81 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.78 0.21 7.81 62 R 8.13 4.30 0.00 1.96 2.09 0.00 3.33 0.00 0.00 3.14 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 63 F 9.05 4.97 0.00 3.33 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.75 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 0.00 0.00 0.00 65 D 7.57 4.37 0.00 2.86 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 66 S 9.21 4.10 0.00 3.77 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 67 Y 7.76 4.67 0.00 3.00 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 0.00 0.00 0.00 0.00 68 R 8.47 4.91 0.00 1.94 2.20 0.00 3.37 0.00 0.00 2.30 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 69 R 8.20 4.61 0.00 1.82 1.96 0.00 3.29 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 70 G 7.15 4.34 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 0.00 71 S 7.48 4.66 0.00 3.35 3.10 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 0.00 0.00 0.00 0.00 72 K 8.34 4.60 0.00 1.73 1.45 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.44 7.81 73 K 8.44 4.10 0.00 1.60 1.58 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.44 7.81