NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.9402 8.3549 109.7419 45.3209 0.0000 174.5675 9 V 3.9456 8.1114 112.1417 59.6299 33.5160 174.9302 10 F 4.9345 9.0082 124.2684 56.5214 42.7807 173.8053 11 V 4.1131 7.4691 124.7316 60.5843 33.0639 174.2288 12 D 4.1789 8.1662 127.5075 54.8020 41.2203 176.7329 13 D 4.4092 8.8385 126.2538 57.1787 40.3070 177.2371 14 H 4.4052 8.3646 118.6601 58.6757 29.8342 176.8799 15 L 4.1188 7.9761 121.8787 58.4609 40.4165 179.1835 16 L 3.8746 7.4671 119.2775 57.5249 41.4165 179.1194 17 E 4.0476 7.8204 115.9294 58.9716 29.2659 178.4448 18 K 4.3605 7.2808 115.5859 57.5682 33.4141 178.9109 19 V 3.4741 8.2331 120.4138 64.4961 31.2325 178.4965 20 L 4.4485 8.0165 121.3053 57.9237 40.0526 178.6261 21 E 4.0595 8.0478 119.9102 58.9230 29.6462 178.3153 22 L 4.1277 7.5943 118.9856 57.0416 41.5717 178.3184 23 N 4.5868 8.0557 114.5979 54.5588 38.7424 176.6338 24 A 4.2282 7.4660 122.1313 53.9746 18.9811 178.7408 25 K 4.3958 8.0526 114.8055 56.5625 33.9080 177.1570 26 G 4.0680 8.1394 108.2962 45.4854 0.0000 173.1642 27 E 4.1334 8.1236 119.0083 55.8840 30.5831 178.2161 28 K 4.5905 8.4277 124.7419 55.4143 32.2624 174.7986 29 R 4.8949 7.2802 123.4417 55.2354 33.6838 175.0018 30 L 5.2703 8.3945 116.5255 53.2073 43.7171 176.1655 31 I 4.4081 7.9763 121.3562 59.4789 39.5259 175.3399 32 K 4.1826 8.5099 126.4909 56.4371 32.9603 176.4822 33 T 4.0418 6.8720 117.6133 61.2840 72.8922 174.0794 34 W 4.4333 8.2805 122.1359 56.0171 31.6725 176.3871 35 S 4.0902 8.8961 113.8104 59.5076 60.3925 173.2461 36 R 4.6472 8.8942 121.2409 56.7105 37.6770 176.8019 37 R 4.6872 7.9930 112.7917 55.6059 30.2075 176.1746 38 S 4.2274 8.4367 113.5776 60.9925 63.1087 174.2513 39 T 4.7714 7.8627 119.6039 61.5607 72.0413 173.8238 40 I 4.1282 8.2670 124.0908 61.2165 38.8739 174.9333 41 V 4.5533 7.8488 115.5080 59.0521 35.7649 174.8989 42 P 4.3212 0.0000 0.0000 66.0227 31.4132 177.9349 43 E 4.1871 8.1494 116.6310 57.9163 29.7008 177.3455 44 M 4.4448 7.7968 118.7884 55.0253 32.2903 177.6655 45 V 4.4691 7.0083 119.1008 64.3502 31.6337 176.9958 46 G 4.5040 7.8248 106.2806 46.1881 0.0000 172.6961 47 H 4.5200 7.4080 113.0746 54.0445 33.9008 173.5515 48 T 5.1792 7.9325 119.2429 61.6649 68.0749 171.9130 49 I 4.3768 7.4761 125.0626 60.1787 38.8272 175.4879 50 A 5.4374 8.4006 130.8925 50.4220 16.7329 175.6021 51 V 3.5805 7.6398 114.1502 61.2338 33.3727 174.8797 52 Y 4.8718 8.6620 126.9823 56.9015 39.0936 175.0831 53 N 4.5905 8.5677 123.7903 53.0374 37.4458 175.1716 54 G 3.8038 5.8396 110.3906 45.8783 0.0000 175.4447 55 K 4.6897 7.3847 114.2406 55.1339 35.1932 175.8877 56 Q 4.4943 8.0652 116.7976 54.5353 32.4481 174.6129 57 H 5.0287 8.5328 118.0359 54.6638 29.5561 175.1204 58 V 3.9770 8.5342 126.0481 60.7871 32.0298 173.4067 59 P 4.9226 0.0000 0.0000 63.2502 29.8828 174.4530 60 V 3.9699 8.3561 120.9336 60.6475 32.9399 174.8055 61 Y 4.1604 8.6394 128.2146 57.2772 37.5446 174.6300 62 I 4.5466 8.4120 128.9411 61.2860 38.7100 176.1112 63 T 5.2539 8.4718 117.1032 60.4845 70.3995 175.1439 64 E 4.3481 8.7895 125.9869 56.8596 29.6099 177.2279 65 N 5.0257 8.0889 113.4492 54.1635 40.0180 174.6404 66 M 4.2205 8.1289 117.5824 55.1724 34.2969 176.8160 67 V 4.2258 7.7338 117.0083 61.9858 32.0657 175.1156 68 G 3.8994 8.5104 107.7950 45.7851 0.0000 173.4752 69 H 4.6942 7.7123 113.9940 54.3987 31.8298 173.2240 70 K 4.5446 8.0500 131.3835 57.1132 34.9135 175.8099 71 L 5.3081 7.2444 127.0249 56.2140 40.9410 175.7238 72 G 3.6862 8.3626 107.7634 47.7021 0.0000 174.2678 73 E 3.9020 7.9562 117.9213 57.3404 29.8162 176.9460 74 F 4.6685 7.9355 114.8568 57.4380 41.2246 175.2996 75 A 4.7688 8.0958 123.0069 50.4482 19.0316 174.4902 76 P 4.6681 0.0000 0.0000 62.9667 31.9306 176.7578 77 T 4.5147 7.3197 112.8820 62.7352 71.2624 174.8118 78 R 4.3193 7.6495 123.1899 54.8745 32.1916 177.0793 79 T 3.9942 8.3417 112.3847 64.6323 67.5766 173.7276 80 Y 4.3874 6.8427 121.3021 56.8680 38.1556 175.2351 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 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 0.00 0.00 0.00 9 V 8.11 3.95 2.13 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 0.57 0.00 0.00 0.94 0.00 0.00 10 F 9.01 4.93 0.00 3.10 2.88 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 11 V 7.47 4.11 1.82 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 0.80 0.00 0.00 0.84 0.00 0.00 12 D 8.17 4.18 0.00 2.79 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.41 0.00 2.94 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 14 H 8.36 4.41 0.00 3.42 3.56 0.00 5.91 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 15 L 7.98 4.12 0.00 1.86 1.99 0.80 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.47 3.87 0.00 1.99 1.71 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.82 4.05 0.00 2.13 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 0.00 2.38 2.33 0.00 18 K 7.28 4.36 0.00 1.88 1.82 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.38 7.81 19 V 8.23 3.47 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 0.84 0.00 0.00 0.54 0.00 0.00 20 L 8.02 4.45 0.00 1.73 1.84 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.05 4.06 0.00 2.00 2.15 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 2.36 2.33 0.00 22 L 7.59 4.13 0.00 1.81 2.02 0.99 0.66 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 23 N 8.06 4.59 0.00 2.87 2.87 0.00 0.00 6.96 7.05 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 24 A 7.47 4.23 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 25 K 8.05 4.40 0.00 1.89 1.93 0.00 1.48 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.62 7.81 26 G 8.14 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 4.13 0.00 1.99 1.91 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 2.32 2.33 0.00 28 K 8.43 4.59 0.00 1.76 1.86 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.40 7.81 29 R 7.28 4.89 0.00 1.88 1.75 0.00 3.12 0.00 0.00 3.39 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 30 L 8.39 5.27 0.00 1.74 1.56 0.89 0.72 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 I 7.98 4.41 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 0.81 0.00 0.00 32 K 8.51 4.18 0.00 1.47 1.17 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 33 T 6.87 4.04 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 1.32 0.00 0.00 34 W 8.28 4.43 0.00 3.21 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 35 S 8.90 4.09 0.00 4.29 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.65 0.00 1.82 1.90 0.00 3.24 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 37 R 7.99 4.69 0.00 2.01 2.07 0.00 2.99 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 38 S 8.44 4.23 0.00 4.04 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 39 T 7.86 4.77 4.23 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 1.22 0.00 0.00 40 I 8.27 4.13 2.05 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 0.58 0.07 0.95 0.00 0.00 41 V 7.85 4.55 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 0.76 0.00 0.00 0.84 0.00 0.00 42 P 0.00 4.32 0.00 2.22 2.31 0.00 3.67 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 2.06 1.98 0.00 43 E 8.15 4.19 0.00 1.96 1.95 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 2.37 2.24 0.00 44 M 7.80 4.44 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 45 V 7.01 4.47 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 0.91 0.00 0.00 1.08 0.00 0.00 46 G 7.82 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 47 H 7.41 4.52 0.00 2.78 2.93 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.93 5.18 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 1.32 0.00 0.00 49 I 7.48 4.38 1.65 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 1.11 0.44 0.76 0.00 0.00 50 A 8.40 5.44 1.16 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 0.00 0.00 51 V 7.64 3.58 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 0.65 0.00 0.00 0.97 0.00 0.00 52 Y 8.66 4.87 0.00 3.17 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 53 N 8.57 4.59 0.00 2.78 2.80 0.00 0.00 7.04 7.09 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 54 G 5.84 3.80 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 0.00 0.00 0.00 55 K 7.38 4.69 0.00 1.74 1.78 0.00 1.08 0.00 0.00 0.92 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.15 1.36 7.81 56 Q 8.07 4.49 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 57 H 8.53 5.03 0.00 3.02 3.35 0.00 5.88 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.53 3.98 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 1.04 0.00 0.00 0.95 0.00 0.00 59 P 0.00 4.92 0.00 2.10 2.06 0.00 3.80 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 1.99 2.00 0.00 60 V 8.36 3.97 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 0.83 0.00 0.00 0.48 0.00 0.00 61 Y 8.64 4.16 0.00 3.08 2.91 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 62 I 8.41 4.55 2.03 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.24 1.21 0.00 0.00 63 T 8.47 5.25 4.31 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 1.33 0.00 0.00 64 E 8.79 4.35 0.00 1.96 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 2.27 2.37 0.00 65 N 8.09 5.03 0.00 2.63 2.67 0.00 0.00 6.88 8.98 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 66 M 8.13 4.22 0.00 1.46 2.42 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.39 0.00 67 V 7.73 4.23 2.24 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 0.71 0.00 0.00 1.02 0.00 0.00 68 G 8.51 3.90 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 0.00 0.00 0.00 69 H 7.71 4.69 0.00 3.15 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.05 4.54 0.00 1.92 1.93 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.39 7.81 71 L 7.24 5.31 0.00 1.92 1.95 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.36 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 0.00 0.00 0.00 73 E 7.96 3.90 0.00 1.16 1.17 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 1.69 1.60 0.00 74 F 7.94 4.67 0.00 2.97 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 75 A 8.10 4.77 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 76 P 0.00 4.67 0.00 2.13 2.24 0.00 3.69 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 77 T 7.32 4.51 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 78 R 7.65 4.32 0.00 1.20 1.23 0.00 3.16 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 79 T 8.34 3.99 4.27 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 1.37 0.00 0.00 80 Y 6.84 4.39 0.00 3.07 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