NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 G 3.9978 8.3549 109.7363 45.1637 0.0000 175.6882 -7 S 4.4574 8.5528 119.7080 54.5928 66.5243 171.2921 -6 R 4.6572 9.3626 121.8288 54.6375 31.8142 175.8809 -5 R 4.7238 8.4535 123.2943 55.8045 31.2393 175.0790 -4 A 4.7101 7.9440 117.1383 51.9354 19.2651 177.9119 -3 S 4.1806 7.7099 113.9652 56.4230 64.4011 173.2811 -2 V 3.2850 7.6070 126.9726 61.1792 30.2695 173.5808 -1 G 4.1141 7.1337 119.9716 44.6926 0.0000 172.5491 0 S 4.5085 8.2567 121.5626 58.5363 65.4739 173.7722 1 M 4.5124 7.8839 119.5611 54.2461 34.9942 174.1560 2 E 5.5061 8.5638 118.8293 54.0484 34.2262 174.7186 3 A 5.2517 7.9683 121.4788 51.4606 22.3603 175.5663 4 I 3.8643 8.5099 123.9010 61.3260 39.4781 174.7805 5 A 4.4363 8.5891 131.7776 51.7685 18.3271 177.8690 6 K 3.8488 8.7139 122.8026 59.8768 32.9141 176.7145 7 Y 4.6864 7.8509 115.6128 56.7492 42.1001 173.6659 8 D 4.7507 8.7041 120.1999 53.6796 42.2483 175.1802 9 F 4.7467 7.6118 122.6231 58.6618 42.7230 171.8278 10 K 4.7158 7.9910 120.6398 55.1472 35.2656 174.9850 11 A 4.2656 8.2678 123.0170 51.8770 19.1854 176.6001 12 T 4.2585 8.4124 111.8092 63.1247 70.8060 175.1331 13 A 4.2158 7.7134 124.9128 50.7880 18.9669 177.7814 14 D 4.4853 8.5650 118.5704 56.5419 41.6648 175.8686 15 D 4.9495 7.9148 118.9435 54.1549 42.2364 174.7997 16 E 4.9671 8.1478 117.3393 54.3977 31.8431 174.1906 17 L 4.9214 8.3943 123.3544 53.3554 44.7895 175.7234 18 S 4.8089 8.3790 120.2690 57.1811 65.4569 172.9974 19 F 4.7257 7.5287 114.7591 57.1580 41.6455 173.0617 20 K 5.5258 8.3107 118.3519 53.5385 34.6511 175.6852 21 R 4.3214 8.0878 119.2831 60.1816 28.7012 175.8009 22 G 4.0072 8.4123 112.6973 45.2427 0.0000 172.8191 23 D 4.7541 7.9022 120.5632 52.8981 40.0868 175.6202 24 I 4.0113 8.1102 123.6599 61.2467 38.2079 175.6237 25 L 4.5732 8.5030 126.3977 53.3770 45.1121 175.6263 26 K 4.3838 8.3352 119.6072 54.5583 33.3765 176.2384 27 V 4.6082 8.0987 125.9761 63.0329 30.9680 175.5767 28 L 4.2676 8.5511 129.0194 57.3490 42.8263 175.9461 29 N 4.6539 7.5903 115.2515 52.5088 42.3624 173.2876 30 E 4.8657 8.1538 116.4551 54.9843 29.4414 173.4901 31 E 4.3663 8.0775 120.0261 56.0762 31.9703 176.5451 32 C 3.5782 8.2803 119.3894 58.6076 30.9039 171.3035 33 D 4.3967 8.2477 117.8308 54.9418 41.0387 176.4069 34 Q 4.5826 8.5257 120.1380 56.1769 29.1120 175.3683 35 N 4.8647 7.9254 113.2435 52.7732 41.7961 174.3936 36 W 5.0244 8.4037 117.6231 55.3378 31.3230 176.2271 37 Y 5.0414 8.5088 122.3491 57.0064 40.5779 173.6930 38 K 5.1693 8.8581 120.3931 55.2804 35.3148 175.3906 39 A 5.6251 8.8776 127.7101 52.1754 23.3266 173.9581 40 E 5.5094 8.4379 113.4034 55.8213 33.2750 174.5805 41 L 4.4365 8.7114 123.9922 53.2161 42.4745 175.3435 42 N 4.0712 9.0161 119.5914 51.7214 36.6541 175.7936 43 G 4.4988 7.7097 118.1490 46.5393 0.0000 174.0125 44 K 4.3495 7.3914 120.5436 55.3633 33.4318 174.6752 45 D 5.2978 7.2781 117.6674 54.0985 41.5043 173.6699 46 G 3.7572 8.2751 104.5453 42.9484 0.0000 172.8648 47 F 5.7081 8.1073 118.3769 57.4921 40.3673 175.2071 48 I 5.2384 8.5621 114.1875 58.8524 41.2435 172.0046 49 P 3.2328 0.0000 0.0000 61.9171 31.4856 177.1428 50 K 3.7718 8.1842 127.1349 58.6266 32.2799 178.3991 51 N 4.3937 7.8453 115.0393 56.1406 38.7882 174.8471 52 Y 4.9294 8.2996 115.5473 57.5414 38.4333 174.7319 53 I 5.3940 7.5150 119.2098 62.1047 42.2020 173.4136 54 E 4.7898 8.4896 120.6630 55.5287 34.3227 174.4471 55 M 4.5850 8.6938 121.8643 54.5004 33.0252 175.2395 56 K 4.7224 8.4991 126.2092 54.0668 35.5216 175.8457 57 P 4.7504 0.0000 0.0000 62.3219 33.3057 174.4667 58 H 4.5787 8.3546 115.1759 54.2350 28.9025 173.2637 59 P 4.3891 0.0000 0.0000 62.1667 32.1607 175.9509 60 E 4.2617 8.5135 119.3334 55.3305 29.1464 175.6906 61 F 3.6814 8.2518 126.1112 56.6844 38.5127 175.2957 62 I 4.2627 8.3196 113.1453 61.5705 39.2347 175.8318 63 V 3.6110 7.9974 120.3917 63.4944 31.1332 175.0356 64 T 4.2465 8.3613 118.0869 63.1886 69.8813 174.3260 65 D 4.4548 8.0218 125.0698 54.3510 41.2136 175.4439 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 -8 G 8.35 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 0.00 0.00 0.00 -7 S 8.55 4.46 0.00 3.88 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 -6 R 9.36 4.66 0.00 1.86 1.89 0.00 2.95 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 -5 R 8.45 4.72 0.00 1.76 1.90 0.00 3.14 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 -4 A 7.94 4.71 1.19 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 0.00 0.00 -3 S 7.71 4.18 0.00 3.94 3.77 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 -2 V 7.61 3.28 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 0.69 0.00 0.00 0.91 0.00 0.00 -1 G 7.13 4.11 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 0.00 0.00 0.00 0 S 8.26 4.51 0.00 3.98 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.88 4.51 0.00 1.96 1.97 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 2.60 2.54 0.00 2 E 8.56 5.51 0.00 1.96 1.74 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 2.22 2.07 0.00 3 A 7.97 5.25 1.28 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 0.00 0.00 4 I 8.51 3.86 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.28 0.97 0.00 0.00 5 A 8.59 4.44 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.71 3.85 0.00 1.77 1.34 0.00 1.85 0.00 0.00 2.03 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.52 7.81 7 Y 7.85 4.69 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.70 4.75 0.00 2.80 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 9 F 7.61 4.75 0.00 2.38 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 10 K 7.99 4.72 0.00 1.81 1.71 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.41 7.81 11 A 8.27 4.27 1.27 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 0.00 0.00 12 T 8.41 4.26 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 1.18 0.00 0.00 13 A 7.71 4.22 1.31 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 0.00 0.00 14 D 8.57 4.49 0.00 2.64 2.72 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 15 D 7.91 4.95 0.00 2.74 2.63 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 16 E 8.15 4.97 0.00 2.13 1.80 0.00 0.00 0.00 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 2.54 0.00 17 L 8.39 4.92 0.00 1.83 1.72 1.01 1.06 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 18 S 8.38 4.81 0.00 3.80 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 19 F 7.53 4.73 0.00 3.22 3.23 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 0.00 0.00 0.00 0.00 20 K 8.31 5.53 0.00 2.07 2.02 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.56 7.81 21 R 8.09 4.32 0.00 1.91 1.93 0.00 3.03 0.00 0.00 2.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 22 G 8.41 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 23 D 7.90 4.75 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.11 4.01 1.97 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 1.32 0.46 0.98 0.00 0.00 25 L 8.50 4.57 0.00 1.61 1.58 0.59 0.60 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 26 K 8.34 4.38 0.00 1.83 1.72 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.44 7.81 27 V 8.10 4.61 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 0.58 0.00 0.00 0.73 0.00 0.00 28 L 8.55 4.27 0.00 1.53 1.68 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.59 4.65 0.00 2.73 2.69 0.00 0.00 6.62 7.67 0.00 0.00 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 E 8.15 4.87 0.00 1.97 1.90 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 2.53 2.56 0.00 31 E 8.08 4.37 0.00 2.38 2.09 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 2.38 2.40 0.00 32 C 8.28 3.58 0.00 2.28 2.56 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 33 D 8.25 4.40 0.00 2.54 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 34 Q 8.53 4.58 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 35 N 7.93 4.86 0.00 3.04 2.73 0.00 0.00 6.94 7.58 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 36 W 8.40 5.02 0.00 3.01 3.26 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 0.00 0.00 0.00 0.00 37 Y 8.51 5.04 0.00 3.03 2.86 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 0.00 0.00 0.00 38 K 8.86 5.17 0.00 1.95 1.79 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.63 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.16 1.02 7.81 39 A 8.88 5.63 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 40 E 8.44 5.51 0.00 2.12 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 2.25 2.18 0.00 41 L 8.71 4.44 0.00 1.68 1.72 1.13 0.89 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 42 N 9.02 4.07 0.00 2.80 2.84 0.00 0.00 7.10 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 43 G 7.71 4.50 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 0.00 0.00 0.00 44 K 7.39 4.35 0.00 1.89 1.78 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.38 7.81 45 D 7.28 5.30 0.00 2.86 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 46 G 8.28 3.76 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 0.00 0.00 0.00 47 F 8.11 5.71 0.00 3.12 3.02 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 0.00 0.00 0.00 48 I 8.56 5.24 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.93 1.19 0.00 0.00 49 P 0.00 3.23 0.00 1.23 0.49 0.00 3.77 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.14 0.00 50 K 8.18 3.77 0.00 1.04 1.53 0.00 1.34 0.00 0.00 1.38 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.18 7.81 51 N 7.85 4.39 0.00 2.73 2.88 0.00 0.00 6.69 7.38 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 52 Y 8.30 4.93 0.00 3.58 3.58 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 53 I 7.51 5.39 1.92 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 1.02 0.88 0.86 0.00 0.00 54 E 8.49 4.79 0.00 1.87 1.79 0.00 0.00 0.00 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 2.33 0.00 55 M 8.69 4.58 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.41 0.00 56 K 8.50 4.72 0.00 1.73 1.64 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.34 7.81 57 P 0.00 4.75 0.00 2.03 2.04 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 58 H 8.35 4.58 0.00 3.22 3.36 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.39 0.00 2.20 2.07 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 60 E 8.51 4.26 0.00 2.01 2.09 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 2.30 2.41 0.00 61 F 8.25 3.68 0.00 3.28 3.03 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 62 I 8.32 4.26 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.94 0.00 0.00 63 V 8.00 3.61 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 0.92 0.00 0.00 0.96 0.00 0.00 64 T 8.36 4.25 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 1.26 0.00 0.00 65 D 8.02 4.45 0.00 2.65 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