NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 M 4.3485 8.3049 120.3446 55.2170 34.4110 175.2154 16 M 3.7315 7.8144 117.7298 55.1154 32.3995 174.3095 17 K 4.5647 8.9596 124.6275 55.3532 35.9429 173.2781 18 L 4.6952 7.6495 118.9332 53.8246 44.9059 177.4767 19 G 3.9240 7.8604 112.1548 46.3984 0.0000 174.1542 20 L 4.3783 7.6682 121.0967 55.6498 38.8274 175.9593 21 V 4.0729 7.3516 118.8342 63.4118 33.5830 177.3993 22 R 3.5992 7.6969 123.4215 54.7617 32.1403 175.3609 23 F 3.8629 8.0954 119.0587 57.7369 36.8952 174.4160 24 S 4.3126 6.9152 119.1746 59.4584 64.9196 171.2789 25 M 3.0626 8.9127 111.7643 56.4380 30.0839 177.2429 26 L 4.1654 7.7805 123.0917 57.4123 42.9958 179.1832 27 L 3.8363 7.9980 120.0561 58.3727 42.3187 178.6438 28 A 3.9868 8.1369 119.6714 55.4604 18.1419 179.0587 29 L 3.9274 8.2274 118.2928 58.6396 42.0493 179.1488 30 A 4.1298 8.2371 120.5022 55.1477 18.2350 179.6695 31 L 4.0163 7.8340 117.0471 57.8193 41.8032 179.5983 32 V 3.6378 8.1795 118.3383 66.0423 31.5409 178.0917 33 V 3.5771 8.2886 118.1946 65.9447 31.3833 177.4843 34 L 3.9258 8.5090 120.0131 58.2472 41.9061 178.6463 35 A 4.0697 8.5952 120.8219 55.3431 18.2751 179.5185 36 I 3.6465 8.2244 118.5378 64.5704 37.2322 178.6595 37 V 3.5718 8.2051 119.2248 66.0716 31.3205 177.9700 38 V 3.5937 8.3705 118.0636 66.3162 31.3662 177.8108 39 Q 4.0050 8.7260 117.8784 59.1937 28.5497 178.7109 40 M 3.9559 8.4876 119.1591 58.5665 32.3521 177.9383 41 A 3.9512 8.3797 121.1793 55.2803 18.5659 179.5236 42 V 3.5347 8.4135 116.8831 66.6170 31.3279 178.2440 43 T 3.8279 8.2199 114.1756 66.8105 68.3777 175.8965 44 M 4.1768 8.2151 119.0437 58.6419 32.3887 178.0314 45 V 3.7948 8.0292 117.1352 65.4445 33.1674 177.4008 46 L 4.3951 8.1478 120.5329 53.9565 39.8949 177.4745 47 H 4.3588 7.9877 121.7709 55.4529 26.7940 176.2602 48 G 3.8453 7.4723 107.5839 43.4387 0.0000 171.4938 49 Q 4.0557 8.4258 125.9714 55.5549 28.0817 175.5809 50 V 4.3055 7.6445 122.2729 62.9903 35.1070 174.4464 51 E 4.8319 7.0927 118.6214 55.4899 37.4300 175.1293 52 S 4.7515 7.9610 111.6293 59.5585 65.5264 176.2171 53 I 3.2357 8.9617 129.1245 62.4382 36.9143 173.3529 54 D 4.2797 7.7352 114.6697 55.4165 39.5324 173.1105 55 V 3.8881 7.5999 118.0186 61.3152 33.5627 176.4783 56 I 3.5869 8.4462 115.6690 60.2662 35.1818 171.6759 57 R 4.3432 8.9372 122.5320 55.8342 30.9978 177.6275 58 S 4.2397 8.7342 116.5846 61.7666 63.3541 176.4223 59 I 3.6787 8.0767 122.4876 63.8942 37.2281 177.7502 60 F 3.8689 8.1763 120.7115 61.3994 38.9649 176.6433 61 F 3.8448 8.7442 120.6550 61.4293 38.9263 177.1604 62 G 3.8780 8.3022 105.2294 48.1896 0.0000 175.4072 63 L 3.8698 7.9582 121.4190 57.4074 41.5237 179.3942 64 L 3.9030 7.8911 120.0999 57.8744 41.8298 178.7476 65 I 3.8733 7.9346 118.6755 64.4591 37.7184 177.3366 66 T 3.9951 8.1057 117.4755 66.0053 68.2703 174.5421 67 P 4.4414 0.0000 0.0000 65.7533 31.4619 178.1715 68 W 4.0466 8.6646 128.0578 60.2355 30.6306 177.7116 69 A 4.1800 8.8132 120.9878 55.2871 17.7894 179.5898 70 V 3.5888 8.1626 116.6892 66.4522 31.5975 177.7009 71 Y 3.8343 8.8180 116.5945 60.9697 37.6998 178.5673 72 F 4.2210 8.8756 121.6531 61.3915 39.5314 176.7759 73 L 3.8533 8.5045 118.9257 58.0026 41.4596 179.4260 74 S 3.9569 8.0842 112.6730 61.4396 62.1231 176.2453 75 V 3.4752 7.8115 120.8256 66.1648 31.0182 177.9951 76 V 3.2482 7.8258 116.7881 66.0352 31.0885 177.7953 77 V 3.6356 8.1997 118.2160 65.7677 31.0342 177.5267 78 E 4.0674 8.2243 119.0253 57.5906 29.4388 174.6634 79 Q 4.0509 8.5451 119.4959 56.0729 29.0779 178.3779 80 L 4.3530 8.2195 126.8642 54.3358 39.6669 176.8290 81 E 4.4825 7.5857 118.1262 55.7396 31.4671 174.7853 82 E 3.9008 8.5676 123.9476 56.5413 28.2725 174.1797 83 S 4.5496 7.5415 113.8560 55.7525 64.4668 174.0481 84 R 3.8515 8.7402 124.3571 57.1186 28.4966 174.5452 85 Q 4.1309 7.5088 123.1587 53.2696 31.8151 173.6882 86 R 3.8847 7.7897 122.7255 55.6326 28.3390 175.6331 87 L 4.8090 7.9341 125.0129 52.7549 42.2360 175.7711 88 S 4.6889 7.4948 112.6985 56.7997 66.2747 173.5018 89 R 4.1821 8.2475 123.3852 56.6083 30.9581 175.0309 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 15 M 8.30 4.35 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 16 M 7.81 3.73 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.62 0.00 17 K 8.96 4.56 0.00 1.77 1.59 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.32 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.47 7.81 18 L 7.65 4.70 0.00 1.54 1.73 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.86 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 20 L 7.67 4.38 0.00 1.72 1.67 0.87 0.46 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 21 V 7.35 4.07 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 0.71 0.00 0.00 0.83 0.00 0.00 22 R 7.70 3.60 0.00 1.27 0.66 0.00 2.96 0.00 0.00 3.05 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.28 0.00 23 F 8.10 3.86 0.00 3.18 3.29 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 24 S 6.92 4.31 0.00 3.92 3.83 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 25 M 8.91 3.06 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.45 0.00 26 L 7.78 4.17 0.00 1.77 1.71 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.00 3.84 0.00 1.80 1.84 0.93 0.92 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 28 A 8.14 3.99 1.37 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 0.00 0.00 0.00 29 L 8.23 3.93 0.00 2.00 1.75 0.97 0.97 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 30 A 8.24 4.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 4.02 0.00 2.12 1.93 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.18 3.64 2.32 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 0.99 0.00 0.00 1.13 0.00 0.00 33 V 8.29 3.58 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 0.89 0.00 0.00 1.03 0.00 0.00 34 L 8.51 3.93 0.00 2.02 1.84 0.95 1.14 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 35 A 8.60 4.07 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 3.65 2.07 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 1.41 0.84 0.92 0.00 0.00 37 V 8.21 3.57 2.25 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 0.99 0.00 0.00 1.04 0.00 0.00 38 V 8.37 3.59 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 1.01 0.00 0.00 0.99 0.00 0.00 39 Q 8.73 4.01 0.00 2.43 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 40 M 8.49 3.96 0.00 2.18 2.16 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 2.57 0.00 41 A 8.38 3.95 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 42 V 8.41 3.53 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 1.04 0.00 0.00 0.96 0.00 0.00 43 T 8.22 3.83 4.39 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 1.19 0.00 0.00 44 M 8.22 4.18 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 45 V 8.03 3.79 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 0.86 0.00 0.00 1.02 0.00 0.00 46 L 8.15 4.40 0.00 1.85 1.59 0.93 1.32 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 47 H 7.99 4.36 0.00 3.14 3.29 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.47 3.85 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 0.00 0.00 0.00 49 Q 8.43 4.06 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 50 V 7.64 4.31 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 0.74 0.00 0.00 0.96 0.00 0.00 51 E 7.09 4.83 0.00 1.95 1.75 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 2.25 2.28 0.00 52 S 7.96 4.75 0.00 3.85 3.72 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 53 I 8.96 3.24 1.85 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 1.25 0.62 0.90 0.00 0.00 54 D 7.74 4.28 0.00 2.74 2.57 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 55 V 7.60 3.89 2.26 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 0.89 0.00 0.00 1.09 0.00 0.00 56 I 8.45 3.59 1.50 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.25 -0.32 0.00 0.00 57 R 8.94 4.34 0.00 2.13 2.13 0.00 3.22 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 58 S 8.73 4.24 0.00 4.01 4.15 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 59 I 8.08 3.68 1.94 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 1.32 0.57 0.94 0.00 0.00 60 F 8.18 3.87 0.00 3.33 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 3.84 0.00 3.27 2.93 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 62 G 8.30 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.87 0.00 1.37 1.44 0.45 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.89 3.90 0.00 1.41 1.41 0.69 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.93 3.87 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.20 0.99 0.00 0.00 66 T 8.11 4.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 67 P 0.00 4.44 0.00 2.37 2.43 0.00 3.95 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.08 0.00 68 W 8.66 4.05 0.00 3.66 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 69 A 8.81 4.18 1.57 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 0.00 0.00 70 V 8.16 3.59 2.38 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 0.95 0.00 0.00 1.05 0.00 0.00 71 Y 8.82 3.83 0.00 2.98 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 72 F 8.88 4.22 0.00 3.05 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 73 L 8.50 3.85 0.00 2.07 1.70 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.08 3.96 0.00 3.92 3.82 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 0.00 0.00 0.00 0.00 75 V 7.81 3.48 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 0.94 0.00 0.00 1.01 0.00 0.00 76 V 7.83 3.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.24 0.00 0.00 77 V 8.20 3.64 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 0.92 0.00 0.00 0.95 0.00 0.00 78 E 8.22 4.07 0.00 2.16 1.86 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 0.00 2.25 2.30 0.00 79 Q 8.55 4.05 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.28 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 80 L 8.22 4.35 0.00 1.61 1.63 0.90 0.94 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 81 E 7.59 4.48 0.00 1.91 1.84 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 2.21 2.27 0.00 82 E 8.57 3.90 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 83 S 7.54 4.55 0.00 3.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.74 3.85 0.00 1.94 1.96 0.00 3.18 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 85 Q 7.51 4.13 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 86 R 7.79 3.88 0.00 1.93 1.88 0.00 3.03 0.00 0.00 2.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 87 L 7.93 4.81 0.00 1.36 1.48 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.49 4.69 0.00 3.74 3.59 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 89 R 8.25 4.18 0.00 1.74 1.71 0.00 3.27 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00