NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5635 8.2644 122.4772 51.7302 20.4802 175.2403 2 W 4.8355 9.4638 128.5264 54.7327 34.0959 172.2131 3 K 4.5199 7.5760 126.8655 54.8889 35.1800 175.0498 4 G 3.5030 7.4210 112.5149 45.9928 0.0000 171.4102 5 E 5.3327 9.0099 118.6451 54.6020 32.7573 176.5959 6 V 4.4069 8.9442 123.1149 60.6983 33.9063 174.3468 7 L 4.4870 8.4774 128.1205 54.5672 41.9507 178.5804 8 A 3.1499 8.3831 127.4201 54.3556 18.3150 177.8328 9 N 4.9455 7.8869 110.6973 52.7481 37.6954 174.8779 10 N 4.5837 7.8176 118.8338 52.5224 37.9056 174.1390 11 E 2.6335 8.4373 126.9456 58.4099 30.0692 178.0587 12 A 3.8609 7.7990 120.7177 54.0311 18.6169 177.0801 13 G 3.7484 7.8783 99.9745 44.6190 0.0000 172.6689 14 Q 4.4240 9.2018 120.6532 54.1580 30.1010 174.8238 15 V 3.9326 8.3039 128.1227 63.0955 32.0887 175.9902 16 T 3.6773 8.1900 119.5787 60.3767 70.2271 174.7436 17 S 4.5076 7.9684 113.8902 58.4405 63.6210 173.7047 18 I 4.1310 7.3750 123.7033 61.0104 38.2552 174.8040 19 I 4.6466 8.2410 128.2957 59.5221 38.5734 174.7818 20 Y 4.0578 9.0367 130.6014 57.5362 39.6578 174.3338 21 N 5.2661 8.4870 123.8475 50.2612 42.4911 172.4289 22 P 4.2996 0.0000 0.0000 64.7497 31.8200 176.6464 23 G 4.0071 8.8985 110.7608 45.2854 0.0000 173.5813 24 D 4.3384 7.4303 119.4330 54.4887 41.5951 176.1224 25 V 4.7795 8.3824 122.3060 61.1659 34.0157 174.3102 26 I 5.2259 9.1737 120.8236 59.4848 41.5138 174.2715 27 T 5.1736 8.7798 119.4061 61.9272 72.2750 173.0091 28 I 5.1029 8.7443 125.9366 59.4441 40.9296 174.4636 29 V 4.8646 8.8587 126.4021 60.9795 33.9297 173.9149 30 A 5.3152 8.9370 129.6991 50.1771 21.2991 175.1046 31 A 4.3981 9.5651 122.5166 50.9056 23.6264 175.1611 32 G 3.8155 7.6250 103.8837 43.6814 0.0000 172.2664 33 W 5.9159 8.6953 117.7660 55.1848 33.1844 174.6029 34 A 4.7078 9.4301 124.6080 51.1229 22.9208 174.6607 35 S 5.3048 9.0306 113.2497 56.8008 66.1784 173.7800 36 Y 5.4003 8.8166 122.6695 55.1008 37.9377 176.4068 37 G 4.3594 7.2996 117.1404 46.3305 0.0000 172.2187 38 P 4.4160 0.0000 0.0000 61.7525 32.0061 176.9763 39 T 3.9347 8.2242 109.6352 64.3200 69.0680 175.1771 40 Q 3.8099 7.6708 121.9587 55.6514 29.6353 174.6814 41 K 4.9278 7.5312 120.5762 54.3421 35.8250 175.4666 42 W 5.3417 10.0861 121.9903 54.9342 33.4885 176.0035 43 G 4.4776 8.9789 109.9245 45.0922 0.0000 172.3073 44 P 3.4949 0.0000 0.0000 64.3774 31.1912 178.3025 45 Q 4.2666 7.3887 115.2513 55.1979 29.4121 177.0450 46 G 3.7506 8.1922 107.0246 44.7129 0.0000 172.1283 47 D 4.2828 8.1982 120.8583 52.2024 40.6192 178.1673 48 R 2.0000 7.9839 123.3984 57.0217 29.6529 177.1108 49 E 4.2536 8.2276 117.6262 56.8019 30.2645 175.4218 50 H 4.5656 7.3726 119.9496 53.8838 30.7691 173.1553 51 P 4.2489 0.0000 0.0000 62.4851 31.5828 175.7186 52 D 4.4955 8.4386 119.5200 54.0365 40.4784 176.1272 53 Q 4.3960 8.3209 126.2477 56.1929 29.3760 176.4749 54 G 4.3056 8.4602 105.3879 46.1348 0.0000 174.7160 55 L 4.2626 8.3711 118.6238 54.0534 42.4384 178.5196 56 I 3.7198 8.1564 115.3019 63.1186 37.4052 175.7260 57 C 4.5271 8.3226 121.1875 57.7328 33.1383 173.9007 58 H 4.6658 8.5874 123.6189 56.9815 28.6911 175.8387 59 D 4.6839 7.9186 117.7029 53.6307 40.9928 175.5252 60 A 4.4667 7.2476 120.7128 49.8290 22.5274 176.7054 61 F 4.4903 7.9963 117.9612 56.9861 39.9450 174.9324 62 C 3.9657 8.4629 123.3496 61.4104 31.3975 174.6761 63 G 3.6138 8.5018 115.5154 44.0359 0.0000 173.2118 64 A 4.4874 7.5610 121.7509 51.2711 20.3850 176.4034 65 L 4.6512 8.6024 122.4245 54.7300 43.5547 176.3955 66 V 4.9405 8.8626 119.1549 59.7095 36.1089 173.8571 67 M 5.3095 9.0500 117.9896 54.0424 35.1503 174.0729 68 K 4.8794 9.0178 118.4907 54.6103 36.0116 175.4697 69 I 4.5690 8.6431 124.7178 59.5488 39.3414 175.3275 70 G 4.0966 9.1086 117.6525 46.5367 0.0000 173.3877 71 N 4.7822 8.7586 122.6622 52.4579 37.5018 175.5947 72 S 4.2127 7.7438 113.6116 58.6025 63.3212 174.0361 73 G 3.8362 8.2848 110.6021 45.2083 0.0000 173.2692 74 T 4.2814 8.1570 109.7909 61.7751 69.6814 173.8604 75 I 4.5839 8.7810 124.6796 58.6708 40.6781 173.2381 76 P 4.3966 0.0000 0.0000 63.0691 31.6085 175.8611 77 V 3.8810 8.4407 122.7447 63.7285 33.8212 176.2475 78 N 4.1965 7.9440 117.1913 54.6693 37.7629 178.5217 79 T 3.7975 8.3477 118.2248 63.8638 69.1919 174.7596 80 G 3.6082 5.8905 107.4971 44.5766 0.0000 171.5896 81 L 4.5995 8.0697 119.3118 52.9087 45.4617 175.1128 82 F 4.8275 8.9618 125.0493 57.2921 41.0347 175.6492 83 R 3.7974 7.7658 128.9568 55.7374 27.9936 176.1609 84 W 4.7823 8.7868 127.5060 55.5640 32.7842 174.4280 85 V 4.4846 7.5994 124.5956 60.4738 32.6442 175.2197 86 A 2.6333 7.8929 130.5074 50.9900 18.5256 177.6324 87 P 4.2622 0.0000 0.0000 62.0806 30.3335 177.9574 *89 N 4.6590 8.1124 114.9667 52.5979 40.5926 175.3967 90 V 3.7762 7.3482 119.2655 62.6488 32.3301 174.9866 91 Q 4.8285 8.5106 123.1101 55.9602 31.1581 172.3482 92 G 4.0317 9.0340 104.5629 43.6184 0.0000 172.8206 93 A 4.5388 8.5798 120.4789 52.2621 19.6940 177.2080 94 I 4.3943 8.6477 123.3414 61.1750 38.5674 175.0510 95 T 4.8151 8.7626 124.4855 61.7070 71.0088 173.3403 96 L 5.0755 8.6213 126.6760 53.3815 44.0833 175.7736 97 I 5.0259 8.5862 122.8049 59.5713 42.0013 173.8823 98 Y 4.7042 8.8849 127.3934 57.5220 40.2041 173.8926 99 N 4.6766 8.9096 126.6303 53.9105 40.0662 173.0990 100 D 4.7200 8.3040 125.1441 53.1167 45.5418 173.3311 101 V 4.6061 7.6362 119.0961 60.5006 32.7439 173.9611 102 P 4.7723 0.0000 0.0000 64.6931 31.6219 176.7259 103 G 4.0829 9.5999 111.5607 45.5562 0.0000 174.1294 104 T 4.5864 7.7184 108.0508 61.6742 69.1609 175.1003 105 Y 4.1186 8.2492 121.5035 60.4321 38.4809 177.6944 106 G 3.9027 8.5022 108.7926 48.5401 0.0000 173.7183 107 N 4.7879 8.0719 114.3549 52.4128 37.8172 174.6018 108 N 4.8685 8.0738 117.0881 53.2891 39.9009 174.2397 109 S 4.5668 8.7264 113.7753 58.1585 66.3466 175.1444 110 G 4.1667 10.1952 109.4348 45.4033 0.0000 171.8124 111 S 4.6609 7.5146 110.6198 57.5803 66.2999 174.0818 112 F 5.3889 8.6068 119.2033 55.9137 41.6820 174.7692 113 S 5.0649 9.1406 118.5568 57.3909 63.8925 172.9571 114 V 5.0176 9.2658 126.6640 61.2820 35.0457 173.5555 115 N 5.5730 9.3228 124.8549 51.6217 41.7066 173.6695 116 I 5.1288 9.2871 123.6612 59.6252 41.1025 174.7600 117 G 4.5171 9.0506 113.2349 44.2132 0.0000 171.5945 118 K 4.9129 8.6513 121.1764 55.9148 32.9545 176.7884 119 D 4.7869 9.1022 125.0281 52.7263 43.2322 176.0427 120 Q 4.1083 8.4275 118.7189 56.6462 29.3063 177.1666 121 S 4.1424 8.2441 114.2500 58.9130 62.6925 174.0374 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 1 A 8.26 4.56 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 2 W 9.46 4.84 0.00 3.37 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.52 0.00 1.66 1.31 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.04 1.37 7.81 4 G 7.42 3.50 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 5 E 9.01 5.33 0.00 1.87 1.88 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 2.18 2.20 0.00 6 V 8.94 4.41 2.34 0.00 0.00 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 1.16 0.00 0.00 7 L 8.48 4.49 0.00 1.69 1.69 0.93 0.94 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 8 A 8.38 3.15 0.37 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 9 N 7.89 4.95 0.00 3.02 3.09 0.00 0.00 5.94 8.04 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 10 N 7.82 4.58 0.00 2.74 3.00 0.00 0.00 7.04 7.77 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 11 E 8.44 2.63 0.00 1.39 1.68 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 1.99 1.50 0.00 12 A 7.80 3.86 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 13 G 7.88 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 14 Q 9.20 4.42 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.94 0.00 0.00 0.00 0.00 0.00 2.76 2.45 0.00 15 V 8.30 3.93 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 0.79 0.00 0.00 0.90 0.00 0.00 16 T 8.19 3.68 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 -0.01 0.00 0.00 17 S 7.97 4.51 0.00 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 0.00 18 I 7.38 4.13 1.80 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.97 0.00 0.00 19 I 8.24 4.65 1.86 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 1.23 0.83 0.92 0.00 0.00 20 Y 9.04 4.06 0.00 3.21 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 21 N 8.49 5.27 0.00 2.54 2.54 0.00 0.00 6.56 8.77 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 22 P 0.00 4.30 0.00 2.01 2.02 0.00 3.63 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 2.03 2.14 0.00 23 G 8.90 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 24 D 7.43 4.34 0.00 1.58 2.29 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 25 V 8.38 4.78 2.07 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 0.99 0.00 0.00 0.92 0.00 0.00 26 I 9.17 5.23 2.02 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.11 1.15 0.00 0.00 27 T 8.78 5.17 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 28 I 8.74 5.10 1.78 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 0.98 0.94 0.00 0.00 29 V 8.86 4.86 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 1.05 0.00 0.00 0.98 0.00 0.00 30 A 8.94 5.32 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 31 A 9.57 4.40 1.14 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 32 G 7.63 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.70 5.92 0.00 3.31 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 34 A 9.43 4.71 0.78 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 35 S 9.03 5.30 0.00 4.09 3.66 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 0.00 0.00 0.00 0.00 36 Y 8.82 5.40 0.00 3.25 3.17 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 0.00 37 G 7.30 4.36 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 0.00 38 P 0.00 4.42 0.00 2.22 2.09 0.00 2.89 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 39 T 8.22 3.93 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 1.17 0.00 0.00 40 Q 7.67 3.81 0.00 1.74 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 1.18 1.89 0.00 41 K 7.53 4.93 0.00 1.49 1.93 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.32 7.81 42 W 10.09 5.34 0.00 3.54 3.17 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 0.00 43 G 8.98 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.49 0.00 1.81 1.39 0.00 3.27 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.35 0.00 45 Q 7.39 4.27 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 46 G 8.19 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 47 D 8.20 4.28 0.00 1.58 1.98 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 48 R 7.98 2.00 0.00 1.24 1.34 0.00 3.03 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 49 E 8.23 4.25 0.00 2.10 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 2.25 2.21 0.00 50 H 7.37 4.57 0.00 2.94 2.89 0.00 5.95 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.25 0.00 2.12 1.95 0.00 3.19 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 1.68 1.81 0.00 52 D 8.44 4.50 0.00 2.69 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 53 Q 8.32 4.40 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.30 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 54 G 8.46 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 0.00 0.00 0.00 0.00 55 L 8.37 4.26 0.00 1.56 1.74 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.16 3.72 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.59 1.09 0.00 0.00 57 C 8.32 4.53 0.00 2.86 2.83 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 58 H 8.59 4.67 0.00 3.17 3.29 0.00 5.78 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.92 4.68 0.00 2.58 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 60 A 7.25 4.47 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 4.49 0.00 3.23 2.83 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 62 C 8.46 3.97 0.00 2.63 2.20 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 63 G 8.50 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.56 4.49 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 65 L 8.60 4.65 0.00 1.67 1.52 1.17 1.15 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 66 V 8.86 4.94 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 0.65 0.00 0.00 0.96 0.00 0.00 67 M 9.05 5.31 0.00 1.88 2.11 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 68 K 9.02 4.88 0.00 1.64 1.68 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.35 7.81 69 I 8.64 4.57 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.67 0.91 0.00 0.00 70 G 9.11 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 71 N 8.76 4.78 0.00 2.81 2.90 0.00 0.00 5.87 7.64 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 72 S 7.74 4.21 0.00 4.02 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 73 G 8.28 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 74 T 8.16 4.28 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 1.22 0.00 0.00 75 I 8.78 4.58 1.79 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 1.27 0.91 0.89 0.00 0.00 76 P 0.00 4.40 0.00 1.83 1.88 0.00 3.59 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 77 V 8.44 3.88 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 0.88 0.00 0.00 0.73 0.00 0.00 78 N 7.94 4.20 0.00 2.81 2.01 0.00 0.00 6.84 6.70 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 79 T 8.35 3.80 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 1.17 0.00 0.00 80 G 5.89 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.07 4.60 0.00 1.47 1.25 -0.33 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.96 4.83 0.00 3.00 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 83 R 7.77 3.80 0.00 1.67 1.78 0.00 2.83 0.00 0.00 2.82 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 0.00 84 W 8.79 4.78 0.00 3.24 3.10 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 85 V 7.60 4.48 1.83 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 0.77 0.00 0.00 0.88 0.00 0.00 86 A 7.89 2.63 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.12 2.00 0.00 3.47 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 *89 N 8.11 4.66 0.00 2.73 2.91 0.00 0.00 7.12 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 90 V 7.35 3.78 2.20 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 0.70 0.00 0.00 0.91 0.00 0.00 91 Q 8.51 4.83 0.00 2.52 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.96 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 92 G 9.03 4.03 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 0.00 0.00 0.00 93 A 8.58 4.54 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.65 4.39 1.73 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.78 0.00 0.00 95 T 8.76 4.82 4.19 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 1.19 0.00 0.00 96 L 8.62 5.08 0.00 1.59 1.61 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.59 5.03 1.94 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 1.12 0.84 0.98 0.00 0.00 98 Y 8.88 4.70 0.00 3.20 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 99 N 8.91 4.68 0.00 2.85 2.57 0.00 0.00 6.22 8.05 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 0.00 100 D 8.30 4.72 0.00 2.32 1.54 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 0.00 101 V 7.64 4.61 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 1.23 0.00 0.00 0.94 0.00 0.00 102 P 0.00 4.77 0.00 2.14 2.06 0.00 3.84 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 2.08 2.19 0.00 103 G 9.60 4.08 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 0.00 104 T 7.72 4.59 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 1.34 0.00 0.00 105 Y 8.25 4.12 0.00 3.13 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 0.00 106 G 8.50 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 0.00 107 N 8.07 4.79 0.00 2.85 2.93 0.00 0.00 6.02 8.04 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 0.00 108 N 8.07 4.87 0.00 2.97 2.60 0.00 0.00 6.54 6.49 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 0.00 109 S 8.73 4.57 0.00 3.89 3.86 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 0.00 110 G 10.20 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 0.00 0.00 0.00 0.00 111 S 7.51 4.66 0.00 3.93 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.61 5.39 0.00 3.12 2.89 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 0.00 113 S 9.14 5.06 0.00 4.06 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 0.00 114 V 9.27 5.02 2.50 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 1.19 0.00 0.00 1.12 0.00 0.00 115 N 9.32 5.57 0.00 2.68 2.72 0.00 0.00 6.49 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 9.29 5.13 2.07 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.96 0.98 0.00 0.00 117 G 9.05 4.52 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 0.00 0.00 0.00 118 K 8.65 4.91 0.00 1.66 1.74 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 119 D 9.10 4.79 0.00 2.60 2.53 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 0.00 120 Q 8.43 4.11 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 121 S 8.24 4.14 0.00 3.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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.