NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.4373 0.0000 0.0000 62.1115 32.8472 176.2751 7 S 4.0038 8.8081 117.6554 60.9852 63.0146 174.1454 8 C 4.3990 7.9005 119.3397 55.5045 40.9080 172.9063 9 P 4.4205 0.0000 0.0000 61.8466 31.8102 175.4372 10 D 4.4219 8.4561 118.1974 54.5497 40.8991 175.1646 11 L 4.6864 8.9013 127.3286 54.8466 42.2455 179.0719 12 S 4.1237 8.1463 118.4902 61.9537 62.7807 176.0827 13 I 3.6358 7.9634 120.5689 64.7408 37.2630 178.0839 14 C 4.4959 7.9721 115.2232 59.0296 40.0486 175.1256 15 L 4.0420 8.1709 120.5277 56.2743 41.5342 178.4009 16 N 4.2960 7.7609 115.9767 56.1294 38.2844 176.9054 17 I 4.4701 7.6373 120.9410 63.2821 37.9287 177.3578 18 L 4.2142 8.1551 119.1102 56.2138 41.4851 178.2807 19 G 4.0414 7.7647 104.1875 44.2441 0.0000 174.2565 20 G 3.9908 8.2975 110.2689 44.9621 0.0000 174.2294 21 S 4.2512 8.0122 115.3696 58.2164 62.4879 173.8366 22 L 4.4947 8.4879 126.3342 54.5269 41.9004 178.5563 23 G 3.6306 7.8449 110.5976 48.1556 0.0000 175.1806 24 T 4.5131 7.6704 108.2274 61.2733 69.4493 176.3559 25 V 3.5570 7.5336 123.6562 66.6684 31.3701 177.4952 26 D 4.3336 8.0302 117.3092 57.4018 41.0247 177.8398 27 D 4.3252 7.9807 118.9508 57.4368 40.9563 179.0161 28 C 4.2728 8.3512 119.0649 60.0525 44.3524 175.1048 29 C 4.1796 8.4252 117.6606 59.4894 36.4418 175.7550 30 A 3.9564 7.9834 122.8151 55.1584 17.7787 179.3723 31 L 3.9091 7.4246 116.3134 58.1380 42.1111 179.8712 32 I 3.9644 7.8371 112.7713 63.8433 37.2346 178.3961 33 G 3.7040 8.3090 107.0861 47.1917 0.0000 175.5667 34 G 3.7370 7.8962 106.6630 45.7312 0.0000 173.5611 35 L 4.6222 7.1096 120.8059 52.9157 43.6601 177.3511 36 G 3.7754 8.3541 107.4524 44.6871 0.0000 173.8263 37 D 4.3428 8.7720 121.4152 57.9594 41.0713 179.3225 38 I 3.7356 7.6576 119.3012 64.1316 37.1655 178.0956 39 E 3.8990 8.0328 119.7778 59.0372 29.5238 178.3692 40 A 3.9986 8.4918 121.2591 55.2690 18.3505 179.7168 41 I 3.6346 7.5099 118.3340 64.6244 37.3344 178.9405 42 V 3.5934 8.0635 119.3118 66.1223 31.1931 177.4974 43 C 4.3562 8.4211 116.4736 59.8930 36.1257 175.9829 44 L 3.9383 8.1913 120.8349 58.0682 41.1494 178.9984 45 C 4.3801 8.5929 117.0671 59.7823 40.9341 176.1969 46 I 3.6557 7.7157 114.4813 64.0949 36.9825 178.3134 47 Q 3.9793 7.6920 118.7823 58.5622 28.7830 178.6933 48 L 4.1232 7.9145 119.8651 57.9252 41.8208 179.4657 49 R 3.9008 8.1273 117.8455 59.5096 29.8665 178.9024 50 A 4.1424 8.0561 118.5545 54.4139 18.3985 179.1136 51 L 4.2029 7.6471 117.1061 55.7726 41.7549 178.0404 52 G 3.9751 7.7604 106.2675 45.2501 0.0000 173.3180 53 I 3.8305 7.4806 120.3932 61.1497 37.5224 176.1287 54 L 4.0730 8.6291 125.8775 57.1770 41.7676 176.9187 55 N 4.6575 7.7771 119.8337 52.3032 37.9463 174.9849 56 L 3.9116 8.2441 125.6713 57.5125 41.9915 178.6748 57 N 4.3880 8.0491 116.0478 56.2047 38.6964 177.3221 58 R 3.8855 8.1107 119.7219 59.4767 30.1876 178.3969 59 N 4.3811 7.7825 116.0414 55.9016 38.6161 177.0501 60 L 3.9525 8.2987 122.2508 58.5398 42.0909 179.2463 61 Q 4.0143 8.2546 117.8283 58.5972 28.6261 178.3716 62 L 3.9156 7.7335 121.0950 58.2450 41.9272 179.0926 63 I 3.6930 7.5565 118.2199 64.5488 37.4266 178.1988 64 L 4.1597 8.0614 119.6974 57.8388 41.2725 179.3632 65 N 4.4419 8.5309 116.9984 56.0300 38.2379 177.4876 66 S 4.2308 7.8647 114.6573 60.9883 63.1931 175.1599 67 C 4.5368 7.7951 118.6985 57.0262 40.8831 173.4377 68 G 4.1377 7.6499 110.7576 46.3236 0.0000 173.2195 69 R 4.5788 7.5397 117.2309 54.5166 32.4993 175.6978 70 S 4.4449 8.4998 115.6016 59.5272 63.3339 173.9157 71 Y 4.6605 7.6597 121.2520 54.4272 41.2114 173.0794 72 P 4.3465 0.0000 0.0000 62.5118 32.1174 175.9535 73 S 4.3740 8.7220 115.6855 58.2309 62.9043 173.5568 74 N 4.9073 8.5350 122.1208 52.3046 37.5114 174.4998 75 A 4.1687 7.8427 121.5065 53.2355 18.9653 177.9988 76 T 4.8051 8.1046 117.0644 61.6885 71.6323 174.8490 77 C 4.4876 9.1097 123.8727 55.5125 40.9254 171.9606 78 P 4.3014 0.0000 0.0000 63.3466 30.6384 174.1902 79 R 4.1719 7.8512 121.6730 57.3993 32.6201 175.5226 80 T 4.0247 7.1079 118.4934 63.3749 68.0679 172.7809 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 6 P 0.00 4.44 0.00 2.06 2.05 0.00 3.65 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 1.92 2.08 0.00 7 S 8.81 4.00 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.90 4.40 0.00 2.99 3.09 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 0.00 0.00 0.00 9 P 0.00 4.42 0.00 2.18 2.07 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 10 D 8.46 4.42 0.00 2.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.90 4.69 0.00 1.89 1.63 0.92 0.45 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 12 S 8.15 4.12 0.00 3.87 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 13 I 7.96 3.64 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.91 0.00 0.00 14 C 7.97 4.50 0.00 3.20 3.13 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 15 L 8.17 4.04 0.00 1.72 1.70 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.76 4.30 0.00 2.85 2.88 0.00 0.00 6.46 7.20 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 17 I 7.64 4.47 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.98 0.00 0.00 18 L 8.16 4.21 0.00 1.86 1.71 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.76 4.04 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 0.00 0.00 0.00 20 G 8.30 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.01 4.25 0.00 3.87 3.87 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 22 L 8.49 4.49 0.00 1.74 1.64 0.92 1.02 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 23 G 7.84 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.67 4.51 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 25 V 7.53 3.56 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 0.99 0.00 0.00 0.96 0.00 0.00 26 D 8.03 4.33 0.00 2.83 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.33 0.00 2.92 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 28 C 8.35 4.27 0.00 2.99 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 29 C 8.43 4.18 0.00 3.03 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 30 A 7.98 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 3.91 0.00 1.73 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.84 3.96 1.88 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 1.62 0.66 0.98 0.00 0.00 33 G 8.31 3.70 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 0.00 0.00 0.00 34 G 7.90 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 0.00 0.00 0.00 35 L 7.11 4.62 0.00 1.88 1.60 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.35 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.77 4.34 0.00 2.79 2.69 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 38 I 7.66 3.74 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.39 0.91 0.00 0.00 39 E 8.03 3.90 0.00 2.03 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 2.38 2.37 0.00 40 A 8.49 4.00 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 41 I 7.51 3.63 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.95 0.00 0.00 42 V 8.06 3.59 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 1.03 0.00 0.00 0.97 0.00 0.00 43 C 8.42 4.36 0.00 3.02 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 44 L 8.19 3.94 0.00 2.06 1.72 0.92 1.14 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 45 C 8.59 4.38 0.00 3.15 3.13 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 46 I 7.72 3.66 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 1.00 0.00 0.00 47 Q 7.69 3.98 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 48 L 7.91 4.12 0.00 1.87 1.71 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.13 3.90 0.00 2.00 2.00 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 50 A 8.06 4.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.65 4.20 0.00 1.85 1.74 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.76 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.48 3.83 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 0.94 0.00 0.00 54 L 8.63 4.07 0.00 1.61 1.71 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 55 N 7.78 4.66 0.00 2.71 2.72 0.00 0.00 7.19 6.66 0.00 0.00 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 8.24 3.91 0.00 1.73 1.69 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.05 4.39 0.00 2.73 2.86 0.00 0.00 6.76 7.66 0.00 0.00 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 R 8.11 3.89 0.00 1.89 2.04 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 59 N 7.78 4.38 0.00 2.78 2.84 0.00 0.00 6.64 6.96 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 60 L 8.30 3.95 0.00 1.79 1.90 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.25 4.01 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 62 L 7.73 3.92 0.00 1.89 1.87 0.91 0.79 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 63 I 7.56 3.69 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.91 0.00 0.00 64 L 8.06 4.16 0.00 2.00 1.74 0.93 0.55 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 65 N 8.53 4.44 0.00 2.91 2.85 0.00 0.00 6.67 7.94 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 66 S 7.86 4.23 0.00 4.05 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 67 C 7.80 4.54 0.00 3.16 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 68 G 7.65 4.14 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 0.00 0.00 0.00 69 R 7.54 4.58 0.00 1.85 2.18 0.00 3.56 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 70 S 8.50 4.44 0.00 3.97 3.94 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 0.00 0.00 0.00 71 Y 7.66 4.66 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.02 1.90 0.00 3.51 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 73 S 8.72 4.37 0.00 3.87 3.87 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 74 N 8.53 4.91 0.00 2.84 2.82 0.00 0.00 6.12 7.31 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 75 A 7.84 4.17 1.29 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 0.00 0.00 76 T 8.10 4.81 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 77 C 9.11 4.49 0.00 2.96 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 78 P 0.00 4.30 0.00 2.17 2.09 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 79 R 7.85 4.17 0.00 1.77 1.87 0.00 3.43 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 80 T 7.11 4.02 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