NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2352 8.3344 116.7854 58.4483 65.0407 173.8183 -7 D 5.3564 7.5806 123.0012 51.1206 40.6889 173.9979 -6 P 4.2439 0.0000 0.0000 65.3991 32.2483 177.8167 -5 S 5.1382 8.1565 111.3821 58.6677 63.2289 174.6817 -4 S 4.7489 8.3990 116.6123 58.3308 63.9719 176.0344 -3 I 4.3076 7.7716 122.7747 63.4732 37.4515 177.6468 -2 N 5.1272 7.5641 115.6995 52.1008 39.6038 176.3594 -1 G 3.9947 7.8730 106.7857 44.6449 0.0000 172.3232 -7 G 4.6764 7.5706 111.4012 42.0205 0.0000 172.5979 -6 I 3.9939 9.2321 128.6093 63.1991 38.9483 176.9167 -5 V 4.7882 7.8765 114.8821 62.5677 32.3289 176.3817 -4 V 4.3989 8.1190 120.1123 62.2308 33.0719 177.7344 -3 A 4.4576 8.0116 126.6747 54.8732 17.7515 179.0468 -2 M 4.8672 7.4441 116.5995 54.4008 33.6038 177.4594 -1 T 4.3847 7.6930 111.5857 61.3449 68.0426 172.1232 8 G 4.0163 8.6407 112.9400 44.1505 0.0000 171.6472 9 K 4.0325 8.5950 122.2911 56.6399 31.6038 177.2689 10 D 4.6520 8.7313 126.8612 54.6457 38.6167 173.2713 11 C 4.7133 7.2685 111.4432 57.5974 32.6445 172.6648 12 V 4.9967 7.8804 112.0134 59.8625 35.3712 174.5973 13 A 4.6915 8.4203 123.4079 50.2203 22.1864 175.3185 14 I 5.2812 8.1568 119.8214 59.4058 40.9980 174.0565 15 A 4.9691 8.4837 129.3509 50.7955 22.5763 174.1515 16 C 5.4004 8.2740 112.2520 57.4882 32.5068 173.2201 17 D 4.7355 8.5577 120.2918 52.6714 41.2470 175.8195 18 L 5.0358 8.1990 114.4400 53.6495 43.3554 176.6783 19 R 4.6367 8.2148 119.4873 56.2899 31.3966 175.9612 20 L 4.3447 8.6703 126.4207 54.0931 45.1362 174.7007 21 G 4.5271 8.4352 112.5966 44.5893 0.0000 171.8026 22 S 4.5911 9.0327 114.2941 55.6477 63.1739 175.5273 23 Q 3.6274 8.6312 128.9334 56.6351 27.1127 177.4034 24 S 4.1840 8.9023 122.7336 61.3392 63.3756 173.8080 25 L 4.1733 7.8667 124.5687 53.9676 42.1563 175.9981 26 G 4.0081 8.5697 115.7395 45.4290 0.0000 172.7614 27 V 4.2132 8.5507 122.2990 63.4964 33.9973 175.9760 28 S 4.6747 7.7034 112.5972 56.7534 65.2645 173.1952 29 N 5.1262 8.8536 123.0421 52.7164 37.3351 174.6634 30 K 4.5891 7.9825 114.5887 56.7509 34.6565 177.1309 31 F 4.5429 8.5105 125.7859 57.2977 38.5543 173.9022 32 E 4.0946 8.1813 123.2430 55.6362 30.2986 176.4965 33 K 4.2728 8.4111 120.9429 56.0323 33.8931 175.1149 34 I 4.7286 6.9703 120.6910 59.5618 39.4554 174.7651 35 F 4.9661 9.1673 124.0238 56.2507 44.0779 173.0632 36 H 5.0393 7.4617 113.4475 53.9160 31.9376 172.6016 *38 Y 4.7399 7.9433 116.3766 58.8619 38.8304 175.6197 39 G 4.0473 8.1448 117.6628 47.1284 0.0000 172.6600 40 H 4.7084 8.9208 120.4719 54.9265 28.9367 174.1666 41 V 4.2406 7.2486 121.1703 61.7705 33.0586 174.4664 42 F 5.0657 9.4057 126.9871 55.6805 41.7876 174.5099 43 L 5.2958 9.4827 124.9575 53.5043 45.0217 175.3677 44 G 4.5646 9.5411 114.0515 45.0315 0.0000 172.5515 45 I 5.3032 8.8013 123.1070 60.0178 41.0366 175.0121 46 T 4.4873 8.4992 117.5775 60.2032 71.7071 172.2057 47 G 4.0665 8.7787 105.2840 44.0001 0.0000 173.2177 48 L 4.1424 9.0299 124.4311 54.9572 42.5474 178.2461 49 A 4.1769 9.9484 128.8934 56.0126 18.0661 178.9335 50 T 3.8288 7.9980 110.6587 65.5881 67.3977 175.7752 51 D 4.3274 8.1515 120.3200 56.9486 40.9816 178.6770 52 V 3.6511 7.9557 118.9817 66.2867 31.5840 178.2847 53 T 3.8159 8.3704 115.7038 66.9507 68.2658 176.7959 54 T 3.7410 8.0253 117.7741 66.6636 68.4197 176.6884 55 L 3.3145 8.0280 121.0832 57.3862 41.5305 179.0744 56 N 4.3140 7.6414 118.2244 56.2204 38.7791 176.7403 57 E 3.9466 7.9473 119.8983 59.4710 29.3842 179.1597 58 M 3.7349 7.8645 118.3983 58.7193 32.2422 178.4595 59 F 4.3884 7.9713 118.0750 60.0288 38.8827 177.8394 60 R 3.8801 8.1468 118.8338 59.5433 29.8999 177.4695 61 Y 4.0967 7.9497 119.3895 61.1319 38.7140 178.6905 62 K 4.2964 8.6541 119.6125 59.6319 32.2170 179.4748 63 T 4.0926 8.3636 110.1326 64.2013 68.7252 176.7922 64 N 4.3380 8.3772 120.0119 56.4396 38.6632 177.2942 65 L 4.0011 7.7401 120.1633 57.7653 41.6756 178.8849 66 Y 3.9797 8.1676 119.5862 60.6812 38.7571 178.1949 67 K 4.5193 8.2380 121.7792 59.1568 32.0809 178.7394 68 L 4.0075 7.7927 118.2432 57.2561 41.5314 179.1616 69 K 4.1656 7.7384 117.3698 59.0284 32.5790 178.8755 70 E 3.9016 8.4465 118.5038 56.7268 29.0919 177.3375 71 E 4.0011 8.2435 117.1770 56.5198 27.6566 174.1154 72 R 4.5529 7.1472 109.0248 55.1344 32.4977 173.8513 73 A 4.4297 8.3809 122.0445 51.4393 19.3751 177.6333 74 I 3.7037 8.0895 120.9039 61.0255 38.5668 175.8374 75 E 4.6416 8.2217 124.3893 53.9799 32.7950 175.5028 76 P 4.3431 0.0000 0.0000 66.1520 31.2283 178.7507 77 E 3.9844 8.2083 116.4991 59.8244 29.4317 179.5992 78 T 3.8939 7.8174 115.0743 66.6036 68.6802 176.3310 79 F 4.0468 8.5366 122.9889 61.6920 39.3421 177.1087 80 T 3.7235 8.0730 115.2401 66.8813 68.2391 176.5375 81 Q 3.9707 7.6721 119.6951 58.5752 28.6990 178.3771 82 L 3.9034 7.7161 121.6273 57.7973 42.0398 179.2366 83 V 3.2530 7.5516 118.5943 65.8652 31.4196 177.5809 84 S 4.0836 7.8802 113.0491 61.7924 62.1195 176.4964 85 S 4.1938 8.2044 116.5287 61.5024 62.4453 176.5861 86 S 4.1958 7.9542 118.2661 61.2976 62.7916 176.3166 87 L 4.2277 8.2210 121.8286 58.0660 41.3983 178.9167 88 Y 3.7877 8.2536 119.3737 60.3477 38.4360 177.4903 89 E 3.9984 7.9717 119.0087 57.9530 29.7657 177.2430 90 R 4.3811 7.4889 117.8453 56.1857 30.8457 178.0997 91 R 3.1845 7.2129 121.2193 59.0427 29.7836 177.4954 92 F 4.8935 7.1293 113.7788 56.8648 39.9295 176.0051 93 G 4.2036 7.4472 103.6438 44.7654 0.0000 172.2783 94 P 4.0802 0.0000 0.0000 62.3438 32.6378 176.0623 95 Y 4.2001 7.7545 116.9294 57.8024 38.9385 176.8209 96 F 4.7873 8.8384 124.6424 56.4222 37.4879 174.6273 97 V 5.0470 7.8105 113.8923 59.6351 36.7026 176.2958 98 G 4.1529 9.1190 108.6450 43.8885 0.0000 170.5729 99 P 5.0995 0.0000 0.0000 62.7381 33.0899 175.8972 100 V 4.4379 8.8473 121.5343 61.7313 34.9595 173.5913 101 V 5.0639 8.6050 127.5168 61.3987 33.5107 174.5865 102 A 4.7547 9.3289 128.3645 49.8059 22.9116 175.5888 103 G 4.2743 7.7445 107.9793 46.7044 0.0000 171.6672 104 I 4.6663 8.0429 119.9914 58.9429 39.9265 175.6448 105 N 4.9866 8.7654 121.3377 53.4872 38.7695 174.3819 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 4.24 0.00 3.84 3.95 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 -7 D 7.58 5.36 0.00 2.74 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 -6 P 0.00 4.24 0.00 1.22 1.52 0.00 3.23 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 0.69 1.61 0.00 -5 S 8.16 5.14 0.00 4.06 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 -4 S 8.40 4.75 0.00 3.77 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 -3 I 7.77 4.31 1.84 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 1.43 0.57 0.88 0.00 0.00 -2 N 7.56 5.13 0.00 2.75 2.73 0.00 0.00 7.56 7.60 0.00 0.00 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 G 7.87 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 -7 G 7.57 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 I 9.23 3.99 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 1.41 0.73 0.91 0.00 0.00 -5 V 7.88 4.79 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 0.53 0.00 0.00 0.93 0.00 0.00 -4 V 8.12 4.40 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 0.96 0.00 0.00 0.93 0.00 0.00 -3 A 8.01 4.46 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.44 4.87 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 -1 T 7.69 4.38 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 8 G 8.64 4.02 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 0.00 0.00 0.00 9 K 8.59 4.03 0.00 1.84 1.72 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.51 7.81 10 D 8.73 4.65 0.00 2.84 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 11 C 7.27 4.71 0.00 3.21 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 12 V 7.88 5.00 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 0.74 0.00 0.00 0.89 0.00 0.00 13 A 8.42 4.69 1.10 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 14 I 8.16 5.28 1.82 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 0.76 0.00 0.00 15 A 8.48 4.97 1.15 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 0.00 0.00 0.00 0.00 0.00 16 C 8.27 5.40 0.00 3.07 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 17 D 8.56 4.74 0.00 2.73 2.76 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 18 L 8.20 5.04 0.00 1.64 1.79 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.21 4.64 0.00 1.85 2.01 0.00 3.24 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.67 4.34 0.00 1.56 1.37 0.74 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.44 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.03 4.59 0.00 3.78 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 23 Q 8.63 3.63 0.00 2.23 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 24 S 8.90 4.18 0.00 3.97 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 25 L 7.87 4.17 0.00 1.78 1.74 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.57 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 27 V 8.55 4.21 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 0.78 0.00 0.00 0.97 0.00 0.00 28 S 7.70 4.67 0.00 3.85 3.64 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 29 N 8.85 5.13 0.00 2.86 2.87 0.00 0.00 5.89 7.13 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 30 K 7.98 4.59 0.00 1.69 1.81 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.51 4.54 0.00 3.19 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 32 E 8.18 4.09 0.00 1.58 1.62 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 2.22 2.23 0.00 33 K 8.41 4.27 0.00 1.64 1.99 0.00 1.77 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.59 7.81 34 I 6.97 4.73 1.72 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 1.22 0.79 1.01 0.00 0.00 35 F 9.17 4.97 0.00 2.75 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 36 H 7.46 5.04 0.00 2.02 1.76 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.94 4.74 0.00 2.69 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 39 G 8.14 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 40 H 8.92 4.71 0.00 3.35 3.40 0.00 5.52 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.25 4.24 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 0.75 0.00 0.00 0.70 0.00 0.00 42 F 9.41 5.07 0.00 3.13 2.94 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 43 L 9.48 5.30 0.00 2.11 1.84 1.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.54 4.56 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 0.00 0.00 0.00 45 I 8.80 5.30 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.95 1.04 0.00 0.00 46 T 8.50 4.49 4.32 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 1.28 0.00 0.00 47 G 8.78 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 48 L 9.03 4.14 0.00 1.99 1.77 0.99 1.55 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 49 A 9.95 4.18 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.00 3.83 4.28 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 1.29 0.00 0.00 51 D 8.15 4.33 0.00 3.05 2.74 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 52 V 7.96 3.65 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 1.36 0.00 0.00 1.15 0.00 0.00 53 T 8.37 3.82 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 54 T 8.03 3.74 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 1.02 0.00 0.00 55 L 8.03 3.31 0.00 1.48 1.47 0.86 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.64 4.31 0.00 1.49 2.39 0.00 0.00 6.82 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 57 E 7.95 3.95 0.00 2.12 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 2.31 2.40 0.00 58 M 7.86 3.73 0.00 1.50 1.65 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.10 0.00 59 F 7.97 4.39 0.00 2.90 2.54 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 0.00 0.00 0.00 0.00 60 R 8.15 3.88 0.00 2.21 2.16 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 61 Y 7.95 4.10 0.00 3.16 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 62 K 8.65 4.30 0.00 1.99 1.99 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.57 1.64 7.81 63 T 8.36 4.09 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 0.96 0.00 0.00 64 N 8.38 4.34 0.00 2.91 2.86 0.00 0.00 6.84 6.25 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 65 L 7.74 4.00 0.00 1.74 1.75 0.98 1.12 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 66 Y 8.17 3.98 0.00 3.19 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 67 K 8.24 4.52 0.00 2.15 1.96 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.58 7.81 68 L 7.79 4.01 0.00 1.84 1.70 0.89 0.93 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 69 K 7.74 4.17 0.00 1.60 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.61 7.81 70 E 8.45 3.90 0.00 1.61 1.72 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 1.62 1.47 0.00 71 E 8.24 4.00 0.00 2.10 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 2.22 2.19 0.00 72 R 7.15 4.55 0.00 2.08 2.01 0.00 2.83 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 73 A 8.38 4.43 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 3.70 1.21 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.12 0.65 0.00 0.00 75 E 8.22 4.64 0.00 2.04 1.87 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 2.40 2.38 0.00 76 P 0.00 4.34 0.00 2.19 2.15 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 77 E 8.21 3.98 0.00 2.07 2.02 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 2.42 2.49 0.00 78 T 7.82 3.89 4.32 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 1.22 0.00 0.00 79 F 8.54 4.05 0.00 2.98 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 80 T 8.07 3.72 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 81 Q 7.67 3.97 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 82 L 7.72 3.90 0.00 1.66 1.48 0.97 0.69 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 83 V 7.55 3.25 1.84 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 0.83 0.00 0.00 -0.49 0.00 0.00 84 S 7.88 4.08 0.00 3.98 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 85 S 8.20 4.19 0.00 4.12 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 86 S 7.95 4.20 0.00 4.25 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 87 L 8.22 4.23 0.00 1.91 1.76 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.25 3.79 0.00 3.15 2.97 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 89 E 7.97 4.00 0.00 2.10 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 0.00 2.27 2.33 0.00 90 R 7.49 4.38 0.00 1.69 1.64 0.00 2.93 0.00 0.00 2.83 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.00 91 R 7.21 3.18 0.00 0.67 1.02 0.00 2.66 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.13 4.89 0.00 3.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.45 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 94 P 0.00 4.08 0.00 1.91 1.82 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.83 0.00 95 Y 7.75 4.20 0.00 2.90 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 96 F 8.84 4.79 0.00 3.09 3.04 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 97 V 7.81 5.05 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 0.79 0.00 0.00 1.01 0.00 0.00 98 G 9.12 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 5.10 0.00 2.00 2.10 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 100 V 8.85 4.44 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 0.78 0.00 0.00 0.98 0.00 0.00 101 V 8.60 5.06 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 0.97 0.00 0.00 1.08 0.00 0.00 102 A 9.33 4.75 1.21 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 0.00 0.00 103 G 7.74 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 0.00 0.00 0.00 0.00 104 I 8.04 4.67 1.91 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 1.31 0.74 0.93 0.00 0.00 105 N 8.77 4.99 0.00 2.71 2.73 0.00 0.00 7.19 7.56 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 * Residues marked with a * may have inaccurate shift predictions.