NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9256 8.4545 109.7364 44.1316 0.0000 173.3266 4 L 4.2270 6.6875 118.3233 52.9411 44.9974 174.8105 5 K 4.6403 8.3504 126.4218 54.6881 35.7987 172.4167 6 D 4.2519 8.8297 132.5686 50.8955 42.8963 175.5953 7 V 3.8062 9.0028 118.1331 61.1872 30.8880 175.2852 8 V 4.1081 7.5033 122.4669 65.2303 34.6050 179.9108 9 T 4.7955 8.0097 103.0613 63.5241 69.5906 171.1260 10 R 4.7134 7.6753 135.0000 56.3126 32.0619 177.4207 11 E 5.2923 8.5364 121.4048 59.6949 33.0161 174.0834 *12 Y 4.6351 8.3663 121.6427 58.5125 41.9509 174.7630 13 T 4.2470 8.4598 113.4026 64.0010 69.2273 171.2081 14 I 2.8822 8.6437 122.5900 61.0676 36.0315 172.1489 15 N 4.2832 10.5112 124.4765 54.6519 35.6914 182.5837 16 L 3.2164 7.4647 119.2064 57.4988 42.0591 179.6314 *17 H 4.3057 8.6063 119.5910 56.3947 27.9602 178.3678 18 K 4.6515 7.8416 122.5935 55.9889 32.6325 183.1242 19 R 4.0835 8.4289 122.5285 58.1178 29.0029 180.6465 20 L 4.8920 8.8902 120.1205 56.3763 41.9276 181.1941 *21 H 4.3157 8.2231 115.0159 57.3151 28.3198 180.2154 22 G 4.1491 9.1919 109.2607 45.0426 0.0000 173.0259 23 V 3.2732 8.1802 115.9567 62.2158 27.9774 173.4772 24 S 4.6020 8.2405 119.5895 60.1003 63.2129 173.9024 *25 F 4.3842 9.0854 130.2418 54.8603 34.2538 175.1075 26 K 4.2263 9.3012 125.0798 55.5549 37.5324 178.8515 27 K 3.8390 8.9482 114.3483 57.9692 28.5393 171.7995 28 R 3.8513 7.3315 117.4862 54.3804 29.5082 184.0328 29 A 3.4700 8.0505 118.6079 53.4133 21.4390 177.9938 30 P 4.2004 0.0000 0.0000 65.3507 29.8456 181.5417 31 R 4.0886 9.1986 116.5473 57.4722 29.7228 179.0191 32 A 4.5181 8.6703 122.2667 55.3480 20.9450 179.3125 33 V 3.9057 7.6217 118.2506 67.4317 31.2690 180.9656 34 K 4.2239 8.1482 125.6652 60.1973 31.7922 181.2493 35 E 4.3843 7.6675 120.1154 62.1490 29.5881 182.7921 36 I 3.9823 8.8711 124.6960 65.6473 35.4412 180.9776 37 K 4.3222 8.0657 128.0400 60.2635 31.3154 181.0807 38 K 4.0230 8.2113 124.2024 58.2894 31.6515 181.6582 *39 F 4.2682 7.7860 112.9216 57.5631 37.0696 177.7448 40 A 4.3901 7.3167 125.8084 55.1460 20.0434 179.6360 41 K 4.0083 8.1801 117.5050 58.0534 31.4284 181.1119 42 L 3.9866 8.2731 121.5767 58.7689 41.4917 183.9535 *43 H 4.4748 8.2993 122.0925 57.1277 29.5023 179.8081 44 M 3.4151 7.5567 108.9501 56.8910 27.7094 171.0751 45 G 4.3041 8.1199 111.2464 46.6717 0.0000 171.6150 46 T 4.0310 9.0981 124.2214 60.9531 66.6249 174.9442 47 D 5.4076 8.7647 128.9241 56.3136 40.4148 181.4148 48 D 4.8145 7.5454 121.6546 54.5499 41.9226 176.7428 49 V 4.3168 8.8149 114.7656 63.3868 38.6154 169.6343 50 R 3.6244 8.3466 116.4056 56.8985 25.5738 177.6748 51 L 4.1241 7.9680 121.9967 53.2919 41.4614 176.7270 52 A 4.1765 8.6136 126.3957 52.4847 18.8164 177.3881 53 P 4.3146 0.0000 0.0000 63.8499 31.3308 179.0360 54 E 4.5082 8.0033 114.8195 58.0681 31.4744 184.3483 55 L 4.1222 7.7477 123.2346 60.7614 40.6918 184.7677 56 N 4.5270 8.3022 121.3383 58.3849 37.6233 179.0381 57 Q 4.2884 7.4143 121.6473 57.7293 28.2266 180.4958 58 A 4.3195 8.1931 119.6412 53.8058 19.9146 182.5511 59 I 2.6023 5.6317 117.4890 59.4802 40.5981 180.5938 *60 W 3.9874 8.8166 121.2219 58.9329 27.4226 179.6493 61 K 3.9285 9.6783 117.3330 56.8002 30.4392 178.8110 62 R 4.6281 8.6307 116.0314 55.8255 31.2241 177.2419 63 G 4.1864 8.2352 117.9574 45.4775 0.0000 175.3536 64 V 3.7718 8.2777 118.6718 62.6366 31.5429 178.7156 65 K 4.8596 7.7049 120.3824 55.2741 32.8988 181.0635 66 G 4.6456 8.5041 109.1457 45.4708 0.0000 176.7208 67 V 4.0238 7.8902 119.2354 60.2347 31.8150 178.2310 68 E 3.9291 8.6793 124.1758 54.9663 29.9695 173.7642 *69 Y 3.9264 8.1078 121.1775 59.6501 37.3222 179.5350 70 R 4.6026 7.5678 121.2780 55.6246 31.7347 178.4737 71 L 4.5990 8.2442 112.9852 55.4710 45.7669 173.2207 72 R 4.4897 8.1262 116.1500 56.5550 25.8012 179.2327 73 L 4.9229 7.8761 127.2520 53.3266 44.8773 174.8089 74 R 5.0160 8.5504 120.3574 56.8184 32.0584 177.0546 75 I 4.4089 7.9038 124.6462 59.4233 38.6746 173.5315 76 S 4.4980 8.4392 116.8241 59.7804 64.6769 175.9438 77 R 4.1562 9.0497 130.0074 56.2973 30.1201 174.4834 78 K 4.0545 8.6677 122.3507 55.9797 32.7584 180.7849 79 R 4.3875 8.5377 122.9861 55.8575 28.2621 173.4403 80 N 4.6130 8.2739 111.4637 57.1010 38.4338 173.6210 81 E 4.4244 7.9951 115.1169 56.8094 29.9014 180.5850 82 E 4.1059 8.0279 119.6304 58.4438 29.4161 180.3171 83 E 4.9312 8.4380 116.9122 57.9421 37.4300 178.3856 84 D 4.5306 7.9316 113.9165 53.5445 42.8637 177.3400 85 A 4.5163 8.7418 131.3357 51.6373 17.9287 180.8086 86 K 4.9344 7.9897 117.1755 53.5117 34.5058 179.8053 87 N 4.1935 9.7448 120.4659 53.2669 34.6771 175.3690 88 P 4.6604 0.0000 0.0000 61.7759 31.8625 173.3976 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 3 G 8.45 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 0.00 0.00 0.00 4 L 6.69 4.23 0.00 1.70 1.38 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.35 4.64 0.00 1.79 1.61 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.11 0.76 7.81 6 D 8.83 4.25 0.00 2.67 2.33 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 7 V 9.00 3.81 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 0.81 0.00 0.00 0.93 0.00 0.00 8 V 7.50 4.11 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 0.65 0.00 0.00 0.93 0.00 0.00 9 T 8.01 4.80 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 7.68 4.71 0.00 1.49 1.52 0.00 3.32 0.00 0.00 3.37 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.18 0.00 11 E 8.54 5.29 0.00 1.77 1.75 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 1.98 1.64 0.00 *12 Y 8.37 4.64 0.00 1.92 2.16 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 13 T 8.46 4.25 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 14 I 8.64 2.88 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 1.27 1.08 0.91 0.00 0.00 15 N 10.51 4.28 0.00 2.74 3.01 0.00 0.00 6.86 6.67 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 16 L 7.46 3.22 0.00 1.64 2.05 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 *17 H 8.61 4.31 0.00 2.87 3.01 0.00 7.16 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 18 K 7.84 4.65 0.00 1.76 1.69 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 0.98 7.81 19 R 8.43 4.08 0.00 1.71 1.70 0.00 3.26 0.00 0.00 3.20 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 20 L 8.89 4.89 0.00 1.65 1.63 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 8.22 4.32 0.00 2.92 3.02 0.00 7.12 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.19 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 23 V 8.18 3.27 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 0.71 0.00 0.00 0.93 0.00 0.00 24 S 8.24 4.60 0.00 3.61 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 *25 F 9.09 4.38 0.00 2.37 2.24 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 26 K 9.30 4.23 0.00 1.74 1.47 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.10 0.80 7.81 27 K 8.95 3.84 0.00 1.85 1.69 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 0.98 7.81 28 R 7.33 3.85 0.00 1.80 1.74 0.00 3.33 0.00 0.00 3.17 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 29 A 8.05 3.47 1.32 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 0.00 0.00 30 P 0.00 4.20 0.00 2.00 2.10 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.62 0.00 31 R 9.20 4.09 0.00 1.54 1.97 0.00 3.17 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 32 A 8.67 4.52 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 V 7.62 3.91 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 0.76 0.00 0.00 0.93 0.00 0.00 34 K 8.15 4.22 0.00 1.85 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.09 7.81 35 E 7.67 4.38 0.00 2.00 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 2.25 2.21 0.00 36 I 8.87 3.98 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 1.38 0.53 0.91 0.00 0.00 37 K 8.07 4.32 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.38 7.81 38 K 8.21 4.02 0.00 1.69 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.27 7.81 *39 F 7.79 4.27 0.00 2.27 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 0.00 0.00 0.00 0.00 40 A 7.32 4.39 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 41 K 8.18 4.01 0.00 1.69 1.86 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.03 7.81 42 L 8.27 3.99 0.00 1.51 1.51 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 *43 H 8.30 4.47 0.00 2.92 2.94 0.00 7.19 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 7.56 3.42 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.16 0.00 45 G 8.12 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 0.00 0.00 0.00 0.00 46 T 9.10 4.03 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 47 D 8.76 5.41 0.00 2.78 2.60 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 48 D 7.55 4.81 0.00 2.69 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 49 V 8.81 4.32 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 0.78 0.00 0.00 0.93 0.00 0.00 50 R 8.35 3.62 0.00 1.90 1.79 0.00 3.24 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 51 L 7.97 4.12 0.00 1.66 1.49 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.61 4.18 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 53 P 0.00 4.31 0.00 2.01 2.05 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.58 0.00 54 E 8.00 4.51 0.00 1.87 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 2.23 1.85 0.00 55 L 7.75 4.12 0.00 1.49 1.70 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.30 4.53 0.00 2.81 2.78 0.00 0.00 6.49 7.46 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 57 Q 7.41 4.29 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 58 A 8.19 4.32 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 59 I 5.63 2.60 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 1.16 0.66 0.91 0.00 0.00 *60 W 8.82 3.99 0.00 2.41 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 0.00 0.00 0.00 61 K 9.68 3.93 0.00 1.87 1.75 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 0.98 7.81 62 R 8.63 4.63 0.00 1.63 1.82 0.00 3.37 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 63 G 8.24 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 64 V 8.28 3.77 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 0.73 0.00 0.00 0.93 0.00 0.00 65 K 7.70 4.86 0.00 1.72 1.63 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.26 1.00 7.81 66 G 8.50 4.65 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 0.00 0.00 0.00 67 V 7.89 4.02 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 0.74 0.00 0.00 0.93 0.00 0.00 68 E 8.68 3.93 0.00 1.98 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 0.00 2.24 1.93 0.00 *69 Y 8.11 3.93 0.00 2.32 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 0.00 0.00 0.00 0.00 70 R 7.57 4.60 0.00 1.82 1.77 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.18 0.00 71 L 8.24 4.60 0.00 1.60 1.52 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.13 4.49 0.00 1.95 1.83 0.00 3.09 0.00 0.00 3.92 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.13 0.00 73 L 7.88 4.92 0.00 1.31 1.54 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.55 5.02 0.00 1.56 1.71 0.00 3.22 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 75 I 7.90 4.41 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 1.09 0.60 0.91 0.00 0.00 76 S 8.44 4.50 0.00 3.33 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 77 R 9.05 4.16 0.00 1.55 1.78 0.00 3.24 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 78 K 8.67 4.05 0.00 1.77 1.64 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.01 7.81 79 R 8.54 4.39 0.00 1.82 1.70 0.00 3.23 0.00 0.00 3.26 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 80 N 8.27 4.61 0.00 2.64 2.72 0.00 0.00 6.76 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 81 E 8.00 4.42 0.00 1.98 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 2.23 1.87 0.00 82 E 8.03 4.11 0.00 1.99 1.67 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 0.00 2.26 2.12 0.00 83 E 8.44 4.93 0.00 1.94 1.81 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 2.14 1.86 0.00 84 D 7.93 4.53 0.00 2.55 2.49 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 0.00 0.00 0.00 0.00 85 A 8.74 4.52 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 86 K 7.99 4.93 0.00 1.72 1.27 0.00 1.86 0.00 0.00 2.40 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 0.95 7.81 87 N 9.74 4.19 0.00 2.89 2.74 0.00 0.00 6.21 7.75 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 88 P 0.00 4.66 0.00 2.02 1.75 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.