NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2851 8.3049 118.1947 53.2848 33.7032 171.4432 2 E 3.5853 8.2118 128.0365 55.6819 29.5922 173.7645 3 M 4.2923 8.7116 124.4150 57.8854 33.0116 178.6369 4 G 3.7113 8.0361 106.0207 47.7871 0.0000 175.7197 5 Q 4.0370 7.9753 119.9235 58.4224 28.7870 178.1124 6 L 3.9448 7.7460 121.1333 58.2886 42.1582 179.2496 7 K 3.9432 8.5783 118.6686 59.4136 31.8453 178.8668 8 N 4.3340 8.1596 117.4122 56.6530 38.8045 177.1787 9 K 3.9927 8.2381 119.9480 59.2692 32.0625 179.3982 10 I 3.6814 7.9776 120.2953 64.3944 37.0352 178.0277 11 E 3.9383 8.5082 119.6724 59.6599 29.3621 179.1753 12 N 4.2970 8.2841 116.2576 56.3933 38.6869 177.4745 13 K 4.1155 8.3719 121.1993 59.2189 32.2411 178.6707 14 K 3.9223 8.4571 120.4079 59.5936 32.1143 178.9110 15 K 4.0296 8.4862 119.0723 59.5446 31.7184 179.0960 16 E 4.3275 8.6374 120.6285 58.7321 29.2518 179.3406 17 L 4.0084 8.0363 120.2866 58.2087 42.2435 178.8622 18 I 3.9460 8.1770 120.2293 64.7377 36.9057 178.2998 19 Q 4.0788 8.3140 118.7401 58.9186 28.5223 179.1126 20 L 3.9920 7.5634 119.7149 57.9150 40.8378 179.7287 21 V 3.4421 8.0749 118.2885 65.6063 31.2089 177.9698 22 A 3.8999 8.4201 121.2637 55.1517 18.1566 179.8702 23 R 3.9103 8.1548 113.0951 58.9362 29.4595 177.9358 24 H 4.3338 7.9013 118.7891 57.2431 29.8829 176.5825 25 G 5.0253 6.3653 123.5690 46.3911 0.0000 171.8516 26 L 4.4639 7.6651 120.3428 53.2905 43.1187 177.3158 27 D 4.6815 8.1927 121.9000 53.5410 43.4759 177.5168 28 H 4.1947 8.5733 117.4712 59.1483 28.5260 177.8137 29 D 4.4422 8.0998 120.6045 56.3679 39.2803 178.7515 30 K 3.9864 7.9650 119.4380 59.1666 32.1920 179.2662 31 V 3.7133 8.0710 118.7499 66.0220 31.4612 178.0539 32 L 4.1173 8.3002 120.3828 57.2688 41.5085 179.5596 33 L 3.9899 8.1864 118.9974 57.6693 41.6128 179.2943 34 F 4.1724 8.7926 121.1354 61.4202 39.4349 177.2444 35 S 3.9894 8.6588 114.5436 61.4382 62.7917 176.6005 36 R 4.0179 7.9797 119.6905 58.7592 29.3155 178.4038 37 D 4.2305 8.0715 118.8245 56.9072 41.2558 177.7539 38 L 3.6759 7.9600 121.2253 58.2703 41.8902 178.5115 39 D 4.2977 8.1080 118.1029 57.1135 41.0288 178.3537 40 K 4.0337 7.8442 119.0587 59.7743 32.5149 179.0154 41 L 4.0436 7.9453 121.5962 57.8865 41.8997 179.1544 42 I 3.7960 7.7872 119.8675 64.5454 37.0498 178.1343 43 N 4.3875 8.5718 117.7324 56.0437 38.0551 177.3140 44 K 4.7400 8.1387 122.0694 59.2074 32.4019 178.4114 45 F 4.2235 8.0150 116.2981 59.9027 39.1350 177.5039 46 M 4.3610 8.3643 118.0438 58.3589 31.9983 175.2435 47 N 4.8425 8.5166 117.5166 53.9610 45.7800 174.1760 48 V 3.9175 7.5521 114.9034 60.6952 32.4681 177.1322 49 K 4.0128 8.1464 129.4444 54.9431 30.4767 177.5133 50 D 4.3810 7.6702 117.3882 54.3489 40.3568 175.3247 51 K 4.2751 8.1708 123.5311 56.4826 33.8325 178.0609 52 V 3.9057 7.1851 114.7434 60.8235 29.9348 174.9612 53 H 4.5316 7.6242 117.0625 54.4621 29.8190 175.6249 54 K 4.0108 8.6748 126.5017 56.0663 32.2619 175.8342 55 L 4.5686 8.2933 127.0850 53.2359 42.4330 176.4119 56 E 4.0237 8.8357 123.9172 59.4416 29.8024 177.1037 57 H 4.6310 7.8755 114.5154 54.8971 29.7290 174.2009 58 H 4.7281 8.4532 123.4467 55.6240 31.2249 170.8178 59 H 4.3548 8.7952 130.7525 56.0832 29.3111 173.5032 60 H 4.8296 7.7675 114.6421 54.1790 30.0243 175.0895 61 H 4.3211 8.6250 118.1311 57.5011 29.1605 174.7072 62 H 4.3633 7.6000 124.0689 56.2425 30.0320 172.4342 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 4.29 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 E 8.21 3.59 0.00 2.49 2.02 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 2.29 2.45 0.00 3 M 8.71 4.29 0.00 2.06 2.12 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 2.69 2.61 0.00 4 G 8.04 3.71 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 0.00 0.00 0.00 5 Q 7.98 4.04 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 6 L 7.75 3.94 0.00 1.72 1.79 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.58 3.94 0.00 2.01 1.85 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 8 N 8.16 4.33 0.00 2.98 3.02 0.00 0.00 7.18 6.64 0.00 0.00 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 K 8.24 3.99 0.00 1.97 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.62 7.81 10 I 7.98 3.68 2.05 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 1.52 0.84 0.91 0.00 0.00 11 E 8.51 3.94 0.00 2.12 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 2.63 2.51 0.00 12 N 8.28 4.30 0.00 2.97 2.88 0.00 0.00 7.11 7.82 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 13 K 8.37 4.12 0.00 2.03 1.80 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 K 8.46 3.92 0.00 1.86 2.08 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 15 K 8.49 4.03 0.00 2.03 1.86 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.57 7.81 16 E 8.64 4.33 0.00 2.19 2.02 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 2.34 2.41 0.00 17 L 8.04 4.01 0.00 1.73 2.01 1.21 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.18 3.95 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.71 1.09 0.00 0.00 19 Q 8.31 4.08 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 20 L 7.56 3.99 0.00 1.84 1.70 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.07 3.44 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.76 0.00 0.00 22 A 8.42 3.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.15 3.91 0.00 1.92 2.07 0.00 3.08 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 24 H 7.90 4.33 0.00 3.21 3.57 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 6.37 5.03 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 0.00 0.00 0.00 26 L 7.67 4.46 0.00 1.57 1.56 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.19 4.68 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.57 4.19 0.00 3.25 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.10 4.44 0.00 2.97 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 30 K 7.96 3.99 0.00 2.05 1.90 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.44 7.81 31 V 8.07 3.71 2.28 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 1.16 0.00 0.00 0.99 0.00 0.00 32 L 8.30 4.12 0.00 1.88 1.73 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.19 3.99 0.00 1.90 1.76 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.79 4.17 0.00 3.10 3.27 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 0.00 35 S 8.66 3.99 0.00 4.03 4.20 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 36 R 7.98 4.02 0.00 2.07 2.21 0.00 2.83 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 37 D 8.07 4.23 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.68 0.00 0.87 1.42 0.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.11 4.30 0.00 2.93 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 K 7.84 4.03 0.00 2.06 2.04 0.00 1.39 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.46 7.81 41 L 7.95 4.04 0.00 1.81 1.87 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.79 3.80 2.02 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 1.48 0.65 0.92 0.00 0.00 43 N 8.57 4.39 0.00 2.85 2.88 0.00 0.00 6.71 7.47 0.00 0.00 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 K 8.14 4.74 0.00 1.90 2.27 0.00 1.77 0.00 0.00 1.49 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.12 1.25 7.81 45 F 8.02 4.22 0.00 2.96 3.12 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 0.00 0.00 0.00 46 M 8.36 4.36 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.83 0.00 47 N 8.52 4.84 0.00 2.62 2.63 0.00 0.00 7.22 7.86 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 48 V 7.55 3.92 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 0.78 0.00 0.00 0.95 0.00 0.00 49 K 8.15 4.01 0.00 1.67 1.67 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.54 7.81 50 D 7.67 4.38 0.00 2.58 2.58 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 51 K 8.17 4.28 0.00 1.85 1.82 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.38 7.81 52 V 7.19 3.91 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 0.64 0.00 0.00 0.90 0.00 0.00 53 H 7.62 4.53 0.00 3.12 3.23 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.67 4.01 0.00 1.69 1.73 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.51 7.81 55 L 8.29 4.57 0.00 1.66 1.80 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.84 4.02 0.00 1.77 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 2.26 2.35 0.00 57 H 7.88 4.63 0.00 3.15 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.45 4.73 0.00 3.03 3.19 0.00 5.82 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 59 H 8.80 4.35 0.00 3.19 3.40 0.00 5.77 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 7.77 4.83 0.00 3.21 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.63 4.32 0.00 3.21 3.43 0.00 5.47 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.60 4.36 0.00 2.91 2.99 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00