NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.3302 8.3349 115.2898 58.6038 62.2753 172.8120 9 T 4.3363 8.0429 124.5358 61.7536 70.5488 173.4965 10 R 4.7513 9.2151 119.3752 56.2468 32.9591 175.5558 11 N 4.9404 7.4857 116.7904 53.4028 38.8878 175.2250 12 G 3.8347 9.0794 111.2587 47.8960 0.0000 172.5329 13 R 4.6372 7.4034 116.1950 54.0087 33.6630 174.0433 14 D 4.3706 7.5393 116.7924 54.6450 44.0711 174.8101 15 S 4.7425 8.4301 115.4519 55.9246 65.8004 174.0925 16 Q 3.8584 8.8864 121.6605 56.4473 28.2765 176.4316 17 A 4.0672 8.3850 125.8001 52.2650 19.0218 176.8442 18 K 4.4064 8.3777 116.7369 55.2202 34.1686 176.4177 19 R 3.7070 7.7922 117.5564 56.7392 26.4343 175.0310 20 L 4.3801 7.5849 120.6576 52.6946 44.4981 175.5648 21 G 3.8468 9.0840 105.9938 44.3737 0.0000 173.2007 22 V 3.7494 7.9494 118.1601 63.2897 31.5967 175.6281 23 K 4.3178 8.6763 126.7245 55.4772 32.9492 176.4866 24 R 4.0685 6.9096 112.6152 56.0362 32.7637 174.1055 25 Y 4.5602 8.0699 121.3538 56.3068 39.2273 174.7661 26 E 4.4188 8.9228 122.2576 59.1490 29.6194 177.2025 27 G 4.0987 9.1164 114.5950 45.0567 0.0000 172.6103 28 Q 4.6008 8.1223 119.3068 54.4928 30.8148 175.0101 29 V 4.2672 8.3289 123.0228 62.6372 32.1296 175.2864 30 V 4.7699 8.4478 120.5980 59.6835 35.7323 174.3241 31 R 4.9943 8.2519 116.4684 54.3369 34.6689 175.1208 32 A 4.1279 8.7874 123.7264 53.0210 18.1650 176.4068 33 G 3.7240 8.9030 115.4976 46.0077 0.0000 174.4350 34 N 4.3011 8.1255 118.2309 53.6445 39.6017 174.4979 35 I 4.3134 8.3926 117.8677 60.9449 38.1067 175.8346 36 L 4.3074 9.3366 127.3617 56.4201 43.1529 177.0296 37 V 4.5952 7.5493 116.9032 61.0695 35.5202 174.1480 38 R 4.8756 8.2444 125.4603 54.5721 32.8201 174.7757 39 Q 4.4970 8.4483 119.7373 56.1779 30.6983 173.6487 40 R 4.2279 8.8504 118.5710 58.4755 31.9146 180.8445 41 G 3.7888 7.0968 113.1735 45.3526 0.0000 174.2678 42 T 4.6856 7.8448 113.6464 61.2712 67.7433 174.8692 43 R 3.9008 8.0964 121.1077 58.2997 30.5433 176.9540 44 F 4.9601 8.5295 113.8334 55.4355 42.6059 174.9537 45 K 4.7205 8.7726 120.4294 53.3700 35.6259 174.1450 46 P 4.3814 0.0000 0.0000 62.6779 31.6026 176.4882 47 G 4.0379 8.0102 111.5562 44.9562 0.0000 174.7662 48 K 4.1334 9.0550 126.1955 56.4915 32.6299 176.5975 49 N 4.2422 8.8700 122.8902 53.9103 35.9675 175.6734 50 V 4.4633 7.0318 117.3432 61.6124 32.7752 173.6645 51 G 3.7533 7.5185 114.5126 44.3013 0.0000 170.0339 52 M 4.9513 7.9656 116.2362 53.0526 34.2224 175.3887 53 G 4.1171 8.6219 109.6798 43.7778 0.0000 174.8674 54 R 3.7781 8.6693 117.9822 59.4247 29.8249 177.6192 55 D 4.7660 8.0091 113.2001 53.2185 39.6065 175.8994 56 F 3.6987 8.6997 118.0150 59.2328 36.4394 174.9789 57 T 4.8773 7.7466 117.9221 61.2410 69.7920 174.3819 58 L 4.5824 8.4583 127.8720 54.6156 42.9121 176.4014 59 F 5.4530 8.1863 117.4832 54.7789 41.1062 174.2437 60 A 4.1513 9.0840 123.5987 53.1093 18.9528 177.8578 61 L 4.8333 8.2064 118.3054 54.9204 43.8036 177.0554 62 V 4.5370 7.4867 109.7191 59.7793 35.8629 173.4225 63 D 4.3372 8.9573 123.6277 54.9744 41.8038 176.2524 64 G 4.0480 7.5325 111.4940 46.0122 0.0000 171.7542 65 V 4.8002 7.3347 119.3562 60.5671 34.9978 175.8600 66 V 5.0055 8.2218 122.7549 61.0238 33.9635 174.0254 67 E 5.1147 8.9046 124.3835 54.8208 33.0742 174.7366 68 F 4.9721 10.0983 122.5066 55.9702 39.3585 173.5806 69 Q 4.3255 9.0932 125.1080 55.4547 30.2562 173.6537 70 D 5.1798 8.8775 126.9876 52.5381 42.2788 177.2279 71 R 4.6343 9.0329 129.5218 56.9106 31.1163 176.9493 72 G 3.8956 7.7797 113.9821 47.0017 0.0000 175.2308 73 R 4.2369 8.6513 122.4890 57.1903 29.8399 176.6472 74 L 4.3084 8.6782 118.8762 54.7269 42.2964 177.3231 75 G 3.8365 8.2129 106.4462 43.9037 0.0000 172.0202 76 R 5.2346 8.1147 115.8421 54.6208 33.7751 174.6251 77 Y 4.9738 9.8992 121.0968 56.1184 41.9359 175.0706 78 V 4.3526 8.0121 121.0874 61.7755 34.0313 174.4846 79 H 4.9328 8.9366 126.1122 54.3064 32.3128 174.1379 80 V 5.2041 8.7690 119.3639 61.4770 33.6199 175.0233 81 R 4.3903 8.6025 126.5478 54.3051 30.0747 174.2270 82 P 5.0846 0.0000 0.0000 61.6869 32.1295 175.8339 83 L 4.1314 8.5047 120.4881 55.9372 40.8678 176.9180 84 A 4.2981 8.5093 126.1310 52.0582 19.1968 176.2355 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 S 8.33 4.33 0.00 3.85 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 9 T 8.04 4.34 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 10 R 9.22 4.75 0.00 1.75 1.89 0.00 3.15 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 11 N 7.49 4.94 0.00 2.64 2.17 0.00 0.00 7.08 7.65 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 12 G 9.08 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 0.00 0.00 0.00 13 R 7.40 4.64 0.00 1.76 1.81 0.00 3.26 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 14 D 7.54 4.37 0.00 2.56 2.52 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 0.00 0.00 0.00 0.00 15 S 8.43 4.74 0.00 3.85 3.71 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 16 Q 8.89 3.86 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 17 A 8.38 4.07 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 18 K 8.38 4.41 0.00 1.73 1.83 0.00 1.93 0.00 0.00 1.98 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.37 7.81 19 R 7.79 3.71 0.00 1.93 1.96 0.00 3.25 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 20 L 7.58 4.38 0.00 1.64 1.78 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.08 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 22 V 7.95 3.75 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 0.54 0.00 0.00 0.60 0.00 0.00 23 K 8.68 4.32 0.00 1.55 1.66 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.45 7.81 24 R 6.91 4.07 0.00 1.64 1.79 0.00 3.35 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 0.00 25 Y 8.07 4.56 0.00 3.23 2.78 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 26 E 8.92 4.42 0.00 2.37 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 0.00 2.43 2.71 0.00 27 G 9.12 4.10 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 0.00 0.00 0.00 28 Q 8.12 4.60 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 29 V 8.33 4.27 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 0.80 0.00 0.00 0.95 0.00 0.00 30 V 8.45 4.77 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 0.77 0.00 0.00 1.00 0.00 0.00 31 R 8.25 4.99 0.00 1.94 1.76 0.00 3.14 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 32 A 8.79 4.13 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 33 G 8.90 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 0.00 0.00 0.00 34 N 8.13 4.30 0.00 2.76 2.82 0.00 0.00 6.81 7.97 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 35 I 8.39 4.31 1.92 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 1.34 0.40 0.90 0.00 0.00 36 L 9.34 4.31 0.00 1.46 1.61 0.80 0.54 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 37 V 7.55 4.60 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 0.98 0.00 0.00 0.55 0.00 0.00 38 R 8.24 4.88 0.00 1.90 1.79 0.00 3.40 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 39 Q 8.45 4.50 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.02 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 40 R 8.85 4.23 0.00 1.68 1.87 0.00 3.23 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 41 G 7.10 3.79 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 0.00 0.00 0.00 42 T 7.84 4.69 4.38 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 1.18 0.00 0.00 43 R 8.10 3.90 0.00 2.23 1.95 0.00 3.24 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 44 F 8.53 4.96 0.00 2.89 2.85 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 45 K 8.77 4.72 0.00 0.79 1.29 0.00 1.28 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.16 1.10 7.81 46 P 0.00 4.38 0.00 2.01 1.96 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 47 G 8.01 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 48 K 9.05 4.13 0.00 1.87 1.76 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.50 1.52 7.81 49 N 8.87 4.24 0.00 2.99 2.86 0.00 0.00 6.49 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.03 4.46 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 0.76 0.00 0.00 0.91 0.00 0.00 51 G 7.52 3.75 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 0.00 0.00 0.00 52 M 7.97 4.95 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 53 G 8.62 4.12 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 0.00 0.00 0.00 54 R 8.67 3.78 0.00 1.79 2.01 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 55 D 8.01 4.77 0.00 2.86 2.81 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 56 F 8.70 3.70 0.00 3.31 3.32 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 0.00 0.00 0.00 0.00 57 T 7.75 4.88 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 58 L 8.46 4.58 0.00 1.51 1.45 0.88 0.92 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 59 F 8.19 5.45 0.00 3.20 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 60 A 9.08 4.15 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 61 L 8.21 4.83 0.00 1.46 1.69 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.49 4.54 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 0.62 0.00 0.00 0.93 0.00 0.00 63 D 8.96 4.34 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.53 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.33 4.80 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 1.13 0.00 0.00 0.95 0.00 0.00 66 V 8.22 5.01 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 0.82 0.00 0.00 0.97 0.00 0.00 67 E 8.90 5.11 0.00 2.14 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 0.00 2.29 2.40 0.00 68 F 10.10 4.97 0.00 3.07 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 69 Q 9.09 4.33 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 70 D 8.88 5.18 0.00 2.79 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 71 R 9.03 4.63 0.00 2.10 1.87 0.00 3.44 0.00 0.00 3.32 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.32 0.00 72 G 7.78 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 73 R 8.65 4.24 0.00 1.83 1.99 0.00 3.37 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 74 L 8.68 4.31 0.00 1.84 1.81 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.21 3.84 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 0.00 0.00 0.00 76 R 8.11 5.23 0.00 1.35 1.77 0.00 2.87 0.00 0.00 2.78 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.48 0.00 77 Y 9.90 4.97 0.00 2.89 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 4.35 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 0.28 0.00 0.00 0.17 0.00 0.00 79 H 8.94 4.93 0.00 3.23 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.77 5.20 2.27 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 0.86 0.00 0.00 0.88 0.00 0.00 81 R 8.60 4.39 0.00 1.93 2.09 0.00 3.06 0.00 0.00 3.41 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.64 0.00 82 P 0.00 5.08 0.00 2.09 2.14 0.00 3.37 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.84 0.00 83 L 8.50 4.13 0.00 1.66 1.76 0.93 0.44 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 84 A 8.51 4.30 1.25 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 0.00 0.00 0.00