NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1864 8.3044 120.3170 55.8483 33.5412 174.4231 2 I 2.6554 7.9842 118.1409 59.7252 36.5832 167.4670 3 V 2.7816 6.9414 126.7292 62.0224 32.9525 173.7884 4 P 4.2647 0.0000 0.0000 62.9242 31.5377 176.9377 5 V 4.1508 8.5413 119.7746 63.5171 32.8691 175.3495 6 R 3.6685 7.4659 117.2569 53.2808 30.5763 176.0653 7 C 4.0751 8.3855 115.6010 58.1518 30.3924 174.8486 8 F 4.4988 8.2506 120.5999 61.0372 38.6203 177.0098 9 S 4.5654 8.0298 113.6573 59.4971 63.4351 173.4741 10 C 4.7066 8.3328 112.1475 56.3664 43.3038 175.6487 11 G 4.1294 8.3340 106.3817 45.0900 0.0000 174.1058 12 K 4.1655 8.5098 120.2744 56.3819 30.4557 176.4922 13 V 4.0340 6.9325 117.3734 62.0920 28.2968 176.2724 14 V 4.2098 8.3746 121.9161 61.5506 32.4796 178.5554 15 G 4.1690 8.2061 109.9481 47.7389 0.0000 176.1105 16 D 4.7290 8.0304 116.6500 53.6462 40.0439 177.2968 17 K 4.3262 7.8995 120.2422 57.8233 32.5410 178.1748 18 W 4.4850 8.3358 128.6872 60.9201 30.2568 177.5245 19 E 3.7902 8.2914 116.1173 59.5444 29.0399 179.1306 20 S 4.1528 8.0193 114.5387 61.8287 62.8264 175.7261 21 Y 3.4149 7.8060 121.3414 60.9952 38.1151 178.2533 22 L 3.9577 7.4071 118.7536 56.6683 41.6003 178.4626 23 N 4.5358 8.9010 118.4855 55.1602 39.7643 175.4454 24 L 4.4611 7.4549 120.4127 53.1799 41.5148 176.9201 25 L 4.6617 7.1020 114.7194 56.2492 44.9127 177.5636 26 Q 3.8337 7.5738 121.7572 59.3828 29.2369 176.9034 27 E 4.2022 8.3380 115.8334 58.7486 30.7570 177.7421 28 D 4.6427 7.9910 118.8155 57.7769 40.6716 177.8049 29 E 4.2943 6.5539 120.5217 59.0949 27.7736 176.8714 30 L 4.4980 7.8458 121.5147 53.1844 44.4764 176.0836 31 D 4.8258 8.0548 117.8102 52.3724 41.5578 177.3419 32 E 3.0268 8.1496 113.4046 55.9472 30.9524 179.5659 33 G 4.1967 9.1293 110.1108 48.8490 0.0000 175.0851 34 T 3.8657 7.7516 111.3699 64.0974 68.3540 176.1375 35 A 3.9543 8.5421 124.0919 54.4390 18.8132 179.3291 36 L 4.2226 7.7278 117.2638 58.2402 41.6975 179.5734 37 S 4.1872 8.2256 114.1173 61.5670 62.7710 176.5540 38 R 4.1850 7.5615 119.6838 58.1887 30.0191 178.7016 39 L 4.3426 7.7968 118.6576 55.6616 41.8544 178.5829 40 G 5.1731 7.2191 117.3507 46.3046 0.0000 172.9456 41 L 4.5275 7.4981 121.9842 52.7346 40.6024 176.1864 42 K 4.0958 8.4012 122.8532 58.6685 33.5063 178.9322 43 R 4.6159 7.8380 117.7921 54.8907 31.1644 176.7724 44 Y 4.5708 10.0815 123.0022 59.3820 38.0209 177.5746 45 C 3.9829 7.9383 115.8632 61.7466 29.8767 176.2460 46 C 4.3905 8.1188 119.1253 59.4289 38.1719 176.1086 47 R 3.9778 8.5563 120.0573 58.3875 28.9426 178.0962 48 R 4.3097 8.5669 115.0737 56.3324 29.6233 177.6546 49 M 4.0115 8.2294 120.8110 58.2648 31.9849 177.1669 50 I 4.0373 7.4453 115.9678 61.0812 39.7423 176.2841 51 L 4.1446 7.3751 121.6707 57.3352 42.3057 177.8697 52 T 4.0810 7.3377 108.7173 63.9632 69.3083 175.0442 53 H 3.7045 7.2255 120.6035 56.3900 30.0388 173.8707 54 V 4.0826 7.7437 125.6291 60.8739 33.2563 174.3976 55 D 4.5093 8.3710 126.4650 52.7034 40.7144 175.4597 56 L 4.0742 7.9599 126.8448 55.8218 42.2076 178.1125 57 I 3.6519 7.6564 118.3381 64.1916 37.3239 177.1793 58 E 3.9227 7.9165 118.0968 58.9071 29.4869 178.6972 59 K 4.0270 8.8352 118.4914 58.9340 32.5033 178.9702 60 F 4.5695 7.5376 117.4441 61.0149 38.6125 177.5318 61 L 4.1570 7.6313 116.9539 57.1343 41.4141 178.9445 62 R 4.0164 8.1707 118.6056 57.7926 30.3512 176.3779 63 Y 4.4086 6.7743 116.9834 57.9081 38.4836 175.5038 64 N 4.4506 9.5178 123.8904 57.3752 39.5212 172.9005 65 P 4.4385 0.0000 0.0000 61.7659 30.8724 175.6244 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 4.19 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 2 I 7.98 2.66 1.86 0.00 0.00 0.81 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 0.45 0.90 0.00 0.00 3 V 6.94 2.78 1.52 0.00 0.00 0.00 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 -0.30 0.00 0.00 4 P 0.00 4.26 0.00 2.15 2.11 0.00 3.34 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 5 V 8.54 4.15 2.11 0.00 0.00 0.00 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 0.94 0.00 0.00 6 R 7.47 3.67 0.00 1.94 2.01 0.00 3.45 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 7 C 8.39 4.08 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 4.50 0.00 3.01 3.01 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 9 S 8.03 4.57 0.00 3.83 3.91 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 10 C 8.33 4.71 0.00 3.04 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 11 G 8.33 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.51 4.17 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.42 7.81 13 V 6.93 4.03 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 0.71 0.00 0.00 0.95 0.00 0.00 14 V 8.37 4.21 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 0.71 0.00 0.00 0.90 0.00 0.00 15 G 8.21 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.73 0.00 2.81 2.82 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 17 K 7.90 4.33 0.00 1.86 1.97 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.47 7.81 18 W 8.34 4.49 0.00 3.29 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 19 E 8.29 3.79 0.00 2.00 1.99 0.00 0.00 0.00 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 2.52 0.00 20 S 8.02 4.15 0.00 4.05 3.89 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 21 Y 7.81 3.41 0.00 2.90 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 22 L 7.41 3.96 0.00 1.40 1.48 -0.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.90 4.54 0.00 2.62 2.72 0.00 0.00 6.99 6.54 0.00 0.00 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 L 7.45 4.46 0.00 1.43 1.47 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.10 4.66 0.00 1.73 1.90 0.80 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.57 3.83 0.00 2.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 27 E 8.34 4.20 0.00 2.07 1.93 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 2.26 2.22 0.00 28 D 7.99 4.64 0.00 2.66 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 29 E 6.55 4.29 0.00 1.94 1.83 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 2.28 2.48 0.00 30 L 7.85 4.50 0.00 1.69 1.50 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.05 4.83 0.00 2.79 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 32 E 8.15 3.03 0.00 2.17 1.88 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 2.50 2.55 0.00 33 G 9.13 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 0.00 0.00 0.00 34 T 7.75 3.87 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 1.21 0.00 0.00 35 A 8.54 3.95 1.01 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 36 L 7.73 4.22 0.00 1.97 1.82 1.16 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.23 4.19 0.00 3.96 3.93 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 38 R 7.56 4.19 0.00 1.71 1.96 0.00 3.30 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 39 L 7.80 4.34 0.00 1.94 1.79 1.04 0.92 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 40 G 7.22 5.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.50 4.53 0.00 1.69 1.69 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.40 4.10 0.00 1.86 1.94 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 43 R 7.84 4.62 0.00 2.20 2.21 0.00 3.00 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 44 Y 10.08 4.57 0.00 3.20 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.94 3.98 0.00 3.05 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 46 C 8.12 4.39 0.00 3.11 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.56 3.98 0.00 1.98 2.07 0.00 3.22 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 48 R 8.57 4.31 0.00 2.00 2.19 0.00 2.75 0.00 0.00 3.01 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.84 0.00 49 M 8.23 4.01 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 50 I 7.45 4.04 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.08 0.83 0.00 0.00 51 L 7.38 4.14 0.00 1.60 1.70 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.34 4.08 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 1.20 0.00 0.00 53 H 7.23 3.70 0.00 3.12 3.07 0.00 5.71 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 54 V 7.74 4.08 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 0.77 0.00 0.00 0.94 0.00 0.00 55 D 8.37 4.51 0.00 2.57 2.64 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 0.00 0.00 0.00 0.00 56 L 7.96 4.07 0.00 1.26 1.08 0.89 0.62 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 57 I 7.66 3.65 1.81 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.22 0.89 0.00 0.00 58 E 7.92 3.92 0.00 1.88 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 2.33 2.41 0.00 59 K 8.84 4.03 0.00 1.65 1.67 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.32 7.81 60 F 7.54 4.57 0.00 3.12 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 4.16 0.00 1.56 1.75 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.17 4.02 0.00 1.65 1.64 0.00 3.18 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 63 Y 6.77 4.41 0.00 3.16 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 64 N 9.52 4.45 0.00 2.72 2.89 0.00 0.00 7.16 7.69 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 65 P 0.00 4.44 0.00 2.14 1.90 0.00 3.92 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00