NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.4117 8.3644 120.1974 55.1341 43.0408 173.7042 12 H 3.6346 7.9480 115.1112 60.3393 27.5711 175.5058 13 I 2.9596 7.1529 114.9449 63.7619 41.2814 176.7725 14 S 4.2467 8.2294 115.7770 58.5310 62.1862 174.3347 15 L 4.6297 7.7287 119.1024 54.7584 42.6558 176.2725 16 N 4.8452 7.7223 118.4194 50.5868 39.1834 172.5238 17 P 4.3059 0.0000 0.0000 65.3384 31.7843 178.3072 18 D 4.3946 8.1749 115.7639 56.8626 41.0067 177.1160 19 L 4.3148 7.7195 116.8589 55.4994 42.7056 176.6042 20 A 4.1442 7.3929 120.5087 52.0803 18.8963 175.6119 21 N 4.6803 8.5060 115.4127 52.3132 39.2035 175.8231 22 E 3.7149 8.7505 122.3823 59.8412 29.6481 179.0294 23 D 4.6070 8.0034 115.2395 53.2434 38.9720 175.9870 24 E 4.5276 8.1160 120.3041 56.1777 31.3703 177.5019 25 V 2.7465 7.5001 116.9184 64.4007 31.7123 176.0179 26 N 4.7374 7.9692 114.9885 53.1535 38.9378 174.4063 27 S 4.7038 7.4004 114.2386 56.9135 63.5770 174.5797 28 C 4.5404 8.7450 123.7435 59.8069 40.1777 174.8372 29 D 4.2814 8.0242 118.6939 56.1220 40.9664 176.2120 30 Y 4.4840 7.9336 120.8789 57.6590 39.3987 177.0504 31 W 4.2671 9.0428 124.0119 59.6499 28.1263 177.4642 32 R 3.4584 5.8400 112.1064 56.0776 28.7985 176.0042 33 H 5.1464 7.7884 114.7320 56.1132 29.2054 173.5742 34 C 4.4573 7.9550 116.4154 57.3051 42.2344 174.6890 35 A 5.2478 7.6787 119.8467 50.3565 19.9624 175.7785 36 V 3.4427 7.5875 119.5169 63.6862 32.9167 174.8277 37 D 5.4387 8.3292 126.5978 51.3997 42.2376 176.3909 38 G 3.9705 7.1862 118.4198 46.0750 0.0000 170.2158 39 F 5.2980 8.0521 121.8296 55.1184 42.1717 174.2463 40 L 4.5546 8.6520 125.9084 54.8384 41.9193 177.6006 41 C 4.2840 9.0958 122.7364 59.9722 40.2943 176.0037 42 S 4.8183 8.0586 111.6879 59.7755 62.4173 175.2326 43 C 5.0152 8.2733 117.5614 57.0678 40.5679 173.2613 44 C 4.8706 8.8308 116.2450 56.7359 40.7488 175.0698 45 G 3.8762 9.1766 106.4687 45.3101 0.0000 173.6076 46 G 4.1672 7.5821 108.1223 43.9547 0.0000 171.2497 47 T 4.9969 7.8902 108.7373 59.3680 71.4982 174.8604 48 T 4.1538 8.3679 110.4224 63.7331 68.6522 175.1630 49 T 4.6822 7.8763 109.9615 61.1056 70.0347 173.4558 50 T 4.7227 7.5913 110.8861 60.1784 71.8863 172.6146 51 C 4.7149 8.4548 119.7445 54.9910 41.6615 172.2340 52 P 4.5669 0.0000 0.0000 61.9629 31.5714 174.0486 53 P 4.1984 0.0000 0.0000 64.6733 31.4994 176.9400 54 G 3.9439 9.0376 111.2326 44.9761 0.0000 172.9137 55 S 4.7904 7.8661 114.9223 57.1830 64.9441 173.9104 56 T 4.4729 9.1361 121.3933 61.6575 69.7408 172.8065 57 P 4.8902 0.0000 0.0000 62.7858 32.1644 176.0068 58 S 5.2096 8.7864 117.9782 56.1429 64.0170 172.8064 59 P 4.3639 0.0000 0.0000 64.6104 31.6861 175.9867 60 I 4.5782 7.3931 111.4338 59.0891 40.8710 175.9127 61 S 3.7362 7.2439 116.7660 58.6034 65.1451 177.8268 *63 I 4.2143 8.4176 119.5861 61.0945 38.1232 174.3880 64 G 4.4191 9.4240 110.7939 45.0970 0.0000 171.9032 65 T 5.1598 8.6893 117.5321 62.1003 69.6604 174.3144 66 C 5.0317 8.9257 123.8787 55.6301 43.1526 172.4734 67 H 5.1361 8.8269 121.8991 54.7059 30.6792 174.1848 68 N 3.4675 8.9978 126.2969 51.7563 37.9113 173.6866 69 P 4.1990 0.0000 0.0000 64.9261 31.7148 177.2856 70 H 4.4046 8.3948 116.8859 57.5734 28.8717 175.3205 71 D 4.7807 7.6557 118.4648 54.3094 39.5473 175.7322 72 G 4.1515 8.0097 104.6545 47.1375 0.0000 173.9304 73 K 4.6533 8.0121 119.0703 54.1640 36.0317 175.2397 74 D 5.2595 8.5702 123.8429 53.8538 42.5320 175.4109 75 Y 5.0436 9.4448 121.4251 56.2658 41.8667 174.4171 76 L 4.9499 9.3412 123.4024 53.8686 44.0011 174.9389 77 I 4.5911 8.8531 128.3657 59.5779 39.6320 174.6129 78 S 4.5153 8.7900 122.5575 57.0820 63.9816 172.7810 79 Y 5.5191 8.1656 125.7452 56.3534 37.1567 173.6430 80 H 4.6334 8.4836 120.5879 55.3328 30.5600 174.5192 81 D 5.4534 8.8677 122.8681 53.9396 43.2081 174.5722 82 C 5.4619 9.3316 118.1628 55.8623 41.3744 172.5627 83 C 5.2705 9.5146 119.3653 55.6368 44.7799 174.8719 84 G 3.7749 9.4825 107.8727 45.2342 0.0000 173.9732 85 K 4.5582 7.3152 117.5385 54.2135 35.9364 176.0013 86 T 4.0744 8.6203 111.6271 60.3346 69.2508 173.4531 87 A 3.9307 8.4542 123.9127 52.9439 18.5385 178.5169 88 C 3.9522 8.1007 122.4741 57.2714 43.8155 175.4225 89 G 3.4699 5.5057 104.5162 45.5246 0.0000 173.0820 90 R 4.5501 6.8836 117.7085 55.1968 33.2186 175.2831 91 C 4.3941 8.6419 115.2507 58.2017 37.5843 172.6013 92 Q 4.8681 7.7647 119.8165 56.1935 30.1864 176.5650 93 C 4.9627 9.1435 122.8884 55.4086 44.8398 172.7636 94 N 4.8268 8.7678 120.5292 51.6816 39.4173 171.9415 95 T 4.6524 9.0276 120.2365 60.6554 72.1349 174.3820 96 Q 5.0207 8.3534 125.5483 55.6910 29.3591 176.0966 97 T 3.9590 8.2047 116.7008 63.8404 69.2079 175.7013 98 R 3.8380 8.6454 125.9738 57.4291 27.7773 175.3245 99 E 4.9183 8.1808 116.8084 54.6586 31.9165 174.8784 100 R 4.7513 8.8847 124.2027 53.4526 35.2782 172.9382 101 P 4.3157 0.0000 0.0000 62.1302 32.0954 177.5445 102 G 3.7655 8.3027 109.0905 49.0216 0.0000 174.3239 103 Y 4.3986 7.1953 115.6303 58.5271 38.7499 175.4052 104 E 4.9279 7.5052 120.6664 58.2776 30.7896 177.9006 105 F 3.8128 7.9608 123.7802 61.4748 40.5478 176.4115 106 F 4.6042 8.3041 116.1456 57.6331 38.7527 175.7171 107 L 4.9341 8.7081 119.5282 54.4455 42.9452 175.2107 108 H 5.7463 8.1443 118.2347 53.9753 31.0987 174.0622 109 N 5.0136 9.0202 122.4954 52.7664 37.5611 174.2604 110 D 4.7302 7.1806 116.2531 54.4638 41.5063 176.4910 111 V 4.0952 6.6611 110.2936 59.1280 35.6642 174.8309 112 N 4.1382 8.0783 121.4973 53.0697 38.9156 175.2222 113 W 4.5195 8.5535 125.0130 57.5417 28.9250 176.2748 114 C 5.0150 8.3719 115.5435 56.6682 40.4518 175.4663 115 M 3.8038 7.9338 118.1185 57.5889 30.5558 177.0457 116 A 4.6697 7.9605 119.2955 51.7573 19.9385 176.1037 117 N 4.7284 8.3595 115.5767 52.6033 39.6192 175.7741 118 E 3.8922 8.9539 121.5041 58.8321 29.5902 176.9387 119 N 4.9892 8.0080 116.7394 51.6658 41.1225 174.5271 120 S 4.5807 8.7280 119.6284 59.7022 64.1949 174.3147 121 T 3.9868 8.0252 117.3617 62.5961 68.0470 172.5110 122 F 4.5521 9.0038 131.2538 58.8633 40.0321 173.1803 123 H 4.7728 8.3224 125.1112 56.7343 31.8286 171.3112 124 C 4.9658 6.8761 109.6047 55.1204 45.4576 171.9626 125 T 5.2614 8.9900 117.3260 62.3348 70.6857 174.2774 126 T 4.8061 8.7519 115.1608 60.4366 72.2313 173.6752 127 S 4.5937 8.6153 117.8024 56.5694 63.6841 172.7502 128 V 3.8539 8.4078 123.5549 61.8609 33.0456 174.1717 129 L 4.4021 8.3389 130.1900 54.9716 42.2023 176.0282 130 V 3.8206 8.7859 127.3452 63.7177 32.1873 176.1644 131 G 4.0412 7.3211 105.5449 45.9024 0.0000 170.9446 132 L 4.0263 8.3079 119.5602 54.2813 42.4973 177.2059 133 A 4.1125 8.5501 125.6415 52.5589 18.6864 177.7771 134 K 4.1052 8.2992 120.4476 57.6602 32.8006 176.1429 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 11 D 8.36 4.41 0.00 2.68 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 12 H 7.95 3.63 0.00 3.50 3.31 0.00 5.91 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 13 I 7.15 2.96 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.25 0.91 0.00 0.00 14 S 8.23 4.25 0.00 3.63 3.74 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 15 L 7.73 4.63 0.00 1.66 1.68 1.06 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.72 4.85 0.00 2.69 2.69 0.00 0.00 7.16 7.71 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 17 P 0.00 4.31 0.00 2.24 2.19 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 18 D 8.17 4.39 0.00 2.72 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 19 L 7.72 4.31 0.00 1.82 1.70 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.39 4.14 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 21 N 8.51 4.68 0.00 2.77 2.73 0.00 0.00 6.56 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 22 E 8.75 3.71 0.00 2.10 2.18 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 2.34 2.33 0.00 23 D 8.00 4.61 0.00 2.77 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 E 8.12 4.53 0.00 1.96 1.85 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 2.21 2.20 0.00 25 V 7.50 2.75 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 -0.06 0.00 0.00 0.79 0.00 0.00 26 N 7.97 4.74 0.00 2.73 2.82 0.00 0.00 6.81 7.57 0.00 0.00 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 S 7.40 4.70 0.00 3.87 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 28 C 8.75 4.54 0.00 3.04 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 29 D 8.02 4.28 0.00 2.78 2.82 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 30 Y 7.93 4.48 0.00 3.13 2.68 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 31 W 9.04 4.27 0.00 3.70 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 32 R 5.84 3.46 0.00 1.00 0.66 0.00 2.78 0.00 0.00 2.97 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 33 H 7.79 5.15 0.00 3.52 3.30 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.95 4.46 0.00 3.21 3.60 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 0.00 0.00 0.00 0.00 35 A 7.68 5.25 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 36 V 7.59 3.44 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 0.90 0.00 0.00 0.85 0.00 0.00 37 D 8.33 5.44 0.00 2.47 2.31 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 38 G 7.19 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 0.00 0.00 0.00 39 F 8.05 5.30 0.00 3.06 3.19 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 40 L 8.65 4.55 0.00 1.75 1.61 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 C 9.10 4.28 0.00 3.14 3.15 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 42 S 8.06 4.82 0.00 3.99 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 43 C 8.27 5.02 0.00 2.95 3.08 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 44 C 8.83 4.87 0.00 2.89 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 45 G 9.18 3.88 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 0.00 0.00 0.00 46 G 7.58 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 47 T 7.89 5.00 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 48 T 8.37 4.15 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 49 T 7.88 4.68 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 1.20 0.00 0.00 50 T 7.59 4.72 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 51 C 8.45 4.71 0.00 3.00 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 52 P 0.00 4.57 0.00 2.20 2.30 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 53 P 0.00 4.20 0.00 2.01 2.02 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 54 G 9.04 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 55 S 7.87 4.79 0.00 3.83 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 56 T 9.14 4.47 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 1.23 0.00 0.00 57 P 0.00 4.89 0.00 1.94 1.99 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 58 S 8.79 5.21 0.00 4.19 4.13 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 0.00 0.00 0.00 0.00 59 P 0.00 4.36 0.00 2.27 2.27 0.00 3.86 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 2.11 2.03 0.00 60 I 7.39 4.58 2.18 0.00 0.00 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 1.75 1.17 1.14 0.00 0.00 61 S 7.24 3.74 0.00 3.72 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 *63 I 8.42 4.21 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.41 0.92 0.00 0.00 64 G 9.42 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 0.00 0.00 0.00 0.00 65 T 8.69 5.16 4.30 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 1.27 0.00 0.00 66 C 8.93 5.03 0.00 3.18 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.83 5.14 0.00 3.25 3.31 0.00 5.92 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 9.00 3.47 0.00 1.44 2.57 0.00 0.00 6.51 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 69 P 0.00 4.20 0.00 2.13 2.12 0.00 3.37 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 1.96 2.03 0.00 70 H 8.39 4.40 0.00 3.05 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.66 4.78 0.00 2.63 2.68 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 72 G 8.01 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 73 K 8.01 4.65 0.00 2.04 1.38 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.64 7.81 74 D 8.57 5.26 0.00 2.59 2.65 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 0.00 0.00 0.00 0.00 75 Y 9.44 5.04 0.00 3.30 3.15 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 76 L 9.34 4.95 0.00 1.70 1.56 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.85 4.59 1.48 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 1.06 0.53 0.17 0.00 0.00 78 S 8.79 4.52 0.00 3.70 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.17 5.52 0.00 2.81 2.90 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 80 H 8.48 4.63 0.00 3.16 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.87 5.45 0.00 2.86 2.99 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 82 C 9.33 5.46 0.00 2.82 2.99 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 83 C 9.51 5.27 0.00 2.90 3.20 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 84 G 9.48 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 0.00 0.00 0.00 85 K 7.32 4.56 0.00 1.40 1.50 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.29 7.81 86 T 8.62 4.07 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 87 A 8.45 3.93 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 88 C 8.10 3.95 0.00 2.42 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.51 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.88 4.55 0.00 1.69 1.82 0.00 3.23 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 91 C 8.64 4.39 0.00 3.13 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 92 Q 7.76 4.87 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 93 C 9.14 4.96 0.00 2.78 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 94 N 8.77 4.83 0.00 2.57 2.62 0.00 0.00 6.86 7.70 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 95 T 9.03 4.65 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 1.28 0.00 0.00 96 Q 8.35 5.02 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.94 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 97 T 8.20 3.96 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 1.27 0.00 0.00 98 R 8.65 3.84 0.00 2.01 2.06 0.00 3.37 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 99 E 8.18 4.92 0.00 1.92 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 2.35 2.19 0.00 100 R 8.88 4.75 0.00 1.63 1.64 0.00 3.41 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 101 P 0.00 4.32 0.00 1.01 1.74 0.00 3.23 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 102 G 8.30 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 0.00 0.00 0.00 103 Y 7.20 4.40 0.00 3.08 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 0.00 104 E 7.51 4.93 0.00 2.01 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 2.46 2.46 0.00 105 F 7.96 3.81 0.00 2.99 2.73 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 0.00 106 F 8.30 4.60 0.00 3.13 2.98 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 0.00 107 L 8.71 4.93 0.00 1.79 1.66 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 108 H 8.14 5.75 0.00 3.00 3.07 0.00 5.56 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 0.00 109 N 9.02 5.01 0.00 2.66 2.74 0.00 0.00 6.85 8.55 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 0.00 110 D 7.18 4.73 0.00 2.39 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 0.00 111 V 6.66 4.10 1.44 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 0.48 0.00 0.00 -0.42 0.00 0.00 112 N 8.08 4.14 0.00 2.61 2.54 0.00 0.00 7.10 7.95 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 0.00 113 W 8.55 4.52 0.00 3.67 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 0.00 114 C 8.37 5.01 0.00 3.37 3.24 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 0.00 115 M 7.93 3.80 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 116 A 7.96 4.67 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.36 4.73 0.00 3.08 2.84 0.00 0.00 6.58 7.23 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 0.00 118 E 8.95 3.89 0.00 1.94 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 2.32 2.35 0.00 119 N 8.01 4.99 0.00 2.73 2.63 0.00 0.00 6.89 8.25 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 0.00 120 S 8.73 4.58 0.00 4.06 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 0.00 121 T 8.03 3.99 4.29 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 1.29 0.00 0.00 122 F 9.00 4.55 0.00 3.21 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 0.00 123 H 8.32 4.77 0.00 3.31 3.16 0.00 5.87 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 C 6.88 4.97 0.00 3.23 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 0.00 125 T 8.99 5.26 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 1.40 0.00 0.00 126 T 8.75 4.81 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 1.26 0.00 0.00 127 S 8.62 4.59 0.00 3.76 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 0.00 128 V 8.41 3.85 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 0.94 0.00 0.00 129 L 8.34 4.40 0.00 1.61 1.54 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.79 3.82 2.21 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 0.77 0.00 0.00 0.90 0.00 0.00 131 G 7.32 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 0.00 132 L 8.31 4.03 0.00 1.44 1.40 0.82 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.55 4.11 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 0.00 134 K 8.30 4.11 0.00 1.58 1.63 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.