NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3387 8.1593 117.3749 62.4565 69.9127 173.3509 2 P 4.2925 0.0000 0.0000 62.7133 31.7985 174.9846 3 Q 4.3049 8.3018 117.9292 57.0008 30.5386 176.2891 4 N 4.8406 7.4303 113.8988 51.4629 39.9292 175.1334 5 I 3.7242 8.2149 118.6085 64.2393 38.3213 177.2328 6 T 4.0480 7.9473 116.2885 66.5569 68.5622 175.4440 7 D 4.4734 8.7595 120.9875 57.2253 41.1274 178.3802 8 L 4.1075 7.9442 119.7971 55.2265 41.1326 178.0599 *10 A 4.3457 7.9841 119.7360 51.3197 20.1974 178.3118 11 E 4.0405 8.2757 114.1849 57.5442 29.8468 176.3955 12 Y 4.7280 7.5127 115.4959 56.0548 40.6204 175.1193 13 H 4.6032 8.6539 119.1625 56.4860 29.8464 174.8367 14 N 4.2813 8.9160 115.6471 54.9506 35.9497 173.9105 15 T 5.3176 7.1905 103.1540 60.3547 72.0231 172.8047 16 Q 4.6215 8.6613 118.4560 55.1972 32.3711 173.2135 17 I 4.6184 8.1885 121.3331 60.6909 38.7599 174.7230 18 H 4.8345 9.1683 124.1539 54.3677 31.1630 173.6040 19 T 4.6539 8.5209 120.1243 62.5386 69.1729 173.7750 20 L 4.0822 8.9315 126.9963 55.5472 42.6791 177.9681 21 N 4.1819 7.7764 114.1318 53.3104 36.2778 172.7904 22 D 4.6202 7.9130 115.0931 52.8371 45.0750 174.5295 23 K 4.8912 8.3845 122.2653 55.7573 33.5187 176.8035 24 I 3.3039 8.1229 121.1920 61.4298 37.6519 176.1320 25 F 4.6391 8.8895 128.4413 60.5112 40.1342 175.8222 26 S 4.4564 7.7982 109.3043 56.6836 66.7694 172.6138 27 Y 4.8110 7.7365 121.8476 56.0851 41.1367 174.4300 28 T 4.6078 8.2122 123.3427 61.5047 72.1362 172.9108 29 E 4.9767 8.4326 122.1255 54.6739 33.2049 174.4715 30 S 4.8143 8.8804 116.0714 56.4737 65.8315 174.0970 31 L 4.5718 8.5473 124.1575 55.0520 41.2356 176.4199 32 A 4.0436 7.8777 124.1744 52.0387 18.8393 177.6090 33 G 3.9437 8.4751 111.5071 46.8991 0.0000 173.9365 34 K 4.0587 8.9095 121.0117 56.8660 30.5389 176.4637 35 R 4.6837 7.9601 117.6134 55.6431 31.2981 176.8129 36 E 5.0358 8.3043 118.9800 54.9592 29.4977 176.2314 37 M 4.9743 8.0553 120.7491 53.9073 35.5520 173.2878 38 A 5.1225 8.4043 118.3617 50.1596 22.9420 175.2470 39 I 5.0778 8.4658 120.3143 59.4647 41.3246 174.7238 40 I 5.1184 8.9460 119.8819 59.2570 41.0991 174.3980 41 T 5.3158 8.5798 112.4762 60.2245 72.5541 172.6611 42 F 5.0724 8.9341 120.7464 55.3576 41.9099 176.7024 43 K 3.3109 9.1565 121.7534 59.6524 31.8712 177.4397 44 N 4.4504 8.1059 112.9312 53.6282 37.3657 175.5831 45 G 3.8847 8.4049 108.5957 44.9417 0.0000 173.9882 46 A 4.0608 8.6020 122.9688 52.4105 19.4410 176.6995 47 T 5.0691 7.7957 117.7506 61.7312 71.9184 173.5032 48 F 5.2718 9.2201 123.2986 55.7804 43.3640 173.6729 49 Q 5.1509 9.2562 119.1537 54.4933 32.3165 174.5157 50 V 4.5063 8.4800 121.1395 61.3790 32.7040 175.2903 51 E 4.5744 8.8681 127.5733 55.6231 30.2563 177.2471 52 V 3.9708 8.2466 122.0566 61.8999 32.2576 174.1865 53 P 4.3688 0.0000 0.0000 62.9412 32.0495 176.0366 54 G 4.1937 8.6999 109.1878 44.6566 0.0000 172.8864 55 S 4.2530 8.5633 113.0599 60.1763 62.9423 175.2962 56 Q 3.9925 7.8461 119.7065 58.7379 28.8869 175.8752 57 H 4.7225 7.8701 115.4065 54.8220 29.9273 174.8546 58 I 4.3628 8.6396 116.3995 59.5496 39.5692 176.5105 59 D 4.4122 8.7578 121.1832 57.7688 40.3616 179.3403 60 S 4.2745 8.0340 112.4906 60.9383 63.2007 175.6868 61 Q 4.2297 8.2790 121.3510 57.4933 28.5868 178.1034 62 K 3.9064 8.0134 120.3991 59.5521 32.0894 179.2868 63 K 4.0084 8.0576 117.8817 59.3899 31.9441 179.1793 64 A 4.0170 7.9436 120.6709 55.0065 18.4770 179.5807 65 I 3.6704 8.0743 118.7337 64.5531 37.1679 178.4783 66 E 3.9758 8.0113 118.9451 59.4643 29.2773 179.3354 67 R 3.9023 8.2114 118.8544 59.6257 30.0090 178.1567 68 M 4.0599 8.3114 118.0741 58.6888 32.2352 178.3877 69 K 4.1177 8.0759 118.3105 59.4461 32.1964 179.0657 70 D 4.3346 8.1799 119.2483 57.6979 40.6964 178.8865 71 T 3.8781 8.2062 116.5236 66.7788 68.3938 176.7053 72 L 4.0528 8.3483 121.1911 57.6008 41.6082 179.5954 73 R 2.8832 7.8164 118.7119 59.2292 30.0460 178.5359 74 I 3.6564 7.7727 118.1541 63.6336 37.8989 177.6268 75 A 3.9665 8.3035 122.2868 55.2377 18.3290 178.7840 76 Y 3.9579 8.2003 118.2819 61.0822 38.6430 178.5771 77 L 3.8139 7.8941 118.3435 56.9671 41.8213 178.5177 78 T 4.1843 7.6766 107.4633 60.8174 69.3056 174.5661 79 E 3.6320 7.6136 119.3272 57.2314 27.3262 174.2251 80 A 4.1699 7.7277 120.8861 51.7296 19.3512 177.8682 81 K 4.4496 8.6781 123.9763 56.3816 33.8462 175.6857 82 V 3.9921 8.8621 128.4586 62.4349 32.4901 175.3440 83 E 4.3981 9.3698 131.0555 57.2216 29.7791 175.7859 84 K 5.1146 8.4831 116.9180 54.4684 37.2634 174.6131 85 L 5.0106 8.6791 121.8784 53.0821 45.3339 174.9994 86 C 4.9052 8.7497 124.0621 58.0515 33.3090 172.8269 87 V 4.8088 8.5039 118.5575 59.2807 36.2411 174.5019 88 W 5.0430 9.2560 124.0663 56.0449 30.1508 176.4676 89 N 4.4636 9.1023 122.2578 52.3937 37.5140 175.0928 90 N 4.8740 8.2210 115.1081 52.7745 37.4191 174.4171 91 K 4.7931 7.7757 117.3319 55.2823 36.0079 175.1361 92 T 4.9471 8.1624 116.1282 61.0886 71.7859 172.5638 93 P 4.4443 0.0000 0.0000 62.5796 32.4434 175.8487 94 H 4.7800 9.0012 117.7436 56.0567 30.1373 174.0931 95 A 5.1946 8.8981 124.2336 50.6169 20.7444 176.5015 96 I 4.2278 9.0965 125.0330 61.6148 37.1065 175.8692 97 A 4.3824 8.7968 128.8986 53.2890 20.3177 176.6633 98 A 4.5726 7.2539 114.1891 51.0180 22.8139 175.2149 99 I 5.0313 8.1761 118.7762 59.1750 41.4320 174.5287 100 S 4.8770 9.1515 122.7863 56.7397 66.0851 172.5895 101 M 5.2322 8.5510 121.0464 53.6696 34.5727 174.7688 102 A 4.7241 8.3488 123.5055 50.1255 22.9739 175.9781 103 N 4.3438 8.9403 116.7535 53.5411 37.0198 174.8127 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 T 8.16 4.34 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 1.22 0.00 0.00 2 P 0.00 4.29 0.00 2.43 2.06 0.00 3.77 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 2.01 2.08 0.00 3 Q 8.30 4.30 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 4 N 7.43 4.84 0.00 2.88 2.87 0.00 0.00 5.91 7.83 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 5 I 8.21 3.72 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.87 0.00 0.00 6 T 7.95 4.05 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 1.19 0.00 0.00 7 D 8.76 4.47 0.00 2.63 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 8 L 7.94 4.11 0.00 1.83 1.78 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *10 A 7.98 4.35 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.04 0.00 1.74 1.58 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 2.24 2.44 0.00 12 Y 7.51 4.73 0.00 2.91 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 13 H 8.65 4.60 0.00 3.41 3.29 0.00 5.97 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.92 4.28 0.00 3.24 3.05 0.00 0.00 6.37 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 15 T 7.19 5.32 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 0.85 0.00 0.00 16 Q 8.66 4.62 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 17 I 8.19 4.62 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 0.86 0.00 0.00 18 H 9.17 4.83 0.00 2.96 3.17 0.00 5.78 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.52 4.65 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 1.17 0.00 0.00 20 L 8.93 4.08 0.00 1.30 1.27 0.57 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.78 4.18 0.00 2.83 2.81 0.00 0.00 6.47 8.08 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 22 D 7.91 4.62 0.00 2.96 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 23 K 8.38 4.89 0.00 1.94 1.85 0.00 1.20 0.00 0.00 1.19 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.51 7.81 24 I 8.12 3.30 2.04 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 0.96 0.57 0.94 0.00 0.00 25 F 8.89 4.64 0.00 3.11 3.25 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 26 S 7.80 4.46 0.00 3.80 3.81 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 27 Y 7.74 4.81 0.00 2.33 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 0.00 0.00 0.00 28 T 8.21 4.61 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 1.08 0.00 0.00 29 E 8.43 4.98 0.00 1.83 1.61 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 2.19 2.30 0.00 30 S 8.88 4.81 0.00 3.85 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 31 L 8.55 4.57 0.00 1.74 1.72 0.92 0.48 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 32 A 7.88 4.04 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 33 G 8.48 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 34 K 8.91 4.06 0.00 1.98 1.99 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.39 7.81 35 R 7.96 4.68 0.00 1.71 1.83 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 36 E 8.30 5.04 0.00 1.97 1.90 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 2.37 2.30 0.00 37 M 8.06 4.97 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 38 A 8.40 5.12 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 39 I 8.47 5.08 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.76 0.90 0.00 0.00 40 I 8.95 5.12 1.78 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.10 1.00 0.00 0.00 41 T 8.58 5.32 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 1.22 0.00 0.00 42 F 8.93 5.07 0.00 3.35 3.11 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 43 K 9.16 3.31 0.00 1.76 1.92 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.26 7.81 44 N 8.11 4.45 0.00 2.88 2.95 0.00 0.00 6.29 7.00 0.00 0.00 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 8.40 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 A 8.60 4.06 1.38 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 0.00 0.00 0.00 47 T 7.80 5.07 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 1.18 0.00 0.00 48 F 9.22 5.27 0.00 3.07 2.96 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 0.00 0.00 0.00 49 Q 9.26 5.15 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.37 0.00 50 V 8.48 4.51 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 1.00 0.00 0.00 1.01 0.00 0.00 51 E 8.87 4.57 0.00 1.97 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 2.49 2.25 0.00 52 V 8.25 3.97 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 0.91 0.00 0.00 1.02 0.00 0.00 53 P 0.00 4.37 0.00 2.08 1.94 0.00 3.72 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 2.01 2.05 0.00 54 G 8.70 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 0.00 0.00 0.00 0.00 55 S 8.56 4.25 0.00 3.96 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 56 Q 7.85 3.99 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.06 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 57 H 7.87 4.72 0.00 3.28 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.64 4.36 1.90 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 1.55 0.91 0.93 0.00 0.00 59 D 8.76 4.41 0.00 2.72 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 60 S 8.03 4.27 0.00 4.05 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 61 Q 8.28 4.23 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 62 K 8.01 3.91 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.58 7.81 63 K 8.06 4.01 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 64 A 7.94 4.02 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.07 3.67 2.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 0.90 0.00 0.00 66 E 8.01 3.98 0.00 2.13 2.01 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 2.53 2.47 0.00 67 R 8.21 3.90 0.00 1.95 2.10 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.31 4.06 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 69 K 8.08 4.12 0.00 2.06 1.96 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.66 7.81 70 D 8.18 4.33 0.00 2.90 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 71 T 8.21 3.88 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 1.23 0.00 0.00 72 L 8.35 4.05 0.00 2.02 1.95 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.82 2.88 0.00 1.28 1.84 0.00 3.00 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 74 I 7.77 3.66 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 0.98 0.00 0.00 75 A 8.30 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.20 3.96 0.00 3.09 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 77 L 7.89 3.81 0.00 1.59 1.63 0.88 0.84 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 78 T 7.68 4.18 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 1.22 0.00 0.00 79 E 7.61 3.63 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 2.04 2.08 0.00 80 A 7.73 4.17 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 81 K 8.68 4.45 0.00 1.88 1.83 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.50 7.81 82 V 8.86 3.99 2.40 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 0.86 0.00 0.00 1.14 0.00 0.00 83 E 9.37 4.40 0.00 2.07 1.93 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 2.26 2.23 0.00 84 K 8.48 5.11 0.00 1.64 1.54 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.33 7.81 85 L 8.68 5.01 0.00 1.10 1.20 0.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.75 4.91 0.00 2.85 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 87 V 8.50 4.81 2.35 0.00 0.00 0.00 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 1.19 0.00 0.00 88 W 9.26 5.04 0.00 3.38 3.21 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 89 N 9.10 4.46 0.00 2.58 2.83 0.00 0.00 6.99 8.14 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 90 N 8.22 4.87 0.00 2.88 3.00 0.00 0.00 5.94 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 91 K 7.78 4.79 0.00 1.87 1.75 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 92 T 8.16 4.95 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 1.18 0.00 0.00 93 P 0.00 4.44 0.00 2.01 2.01 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 94 H 9.00 4.78 0.00 3.25 3.46 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.90 5.19 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 0.00 0.00 96 I 9.10 4.23 1.96 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 1.12 0.82 0.90 0.00 0.00 97 A 8.80 4.38 -0.07 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 98 A 7.25 4.57 1.09 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 0.00 0.00 99 I 8.18 5.03 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.11 0.91 0.00 0.00 100 S 9.15 4.88 0.00 3.88 3.87 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 0.00 0.00 0.00 101 M 8.55 5.23 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 102 A 8.35 4.72 1.11 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 0.00 0.00 103 N 8.94 4.34 0.00 2.82 2.86 0.00 0.00 5.93 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.