NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3279 8.2644 123.5809 52.4435 19.7800 175.9894 2 S 4.2282 8.2026 109.8487 56.7230 64.2094 172.0301 3 A 3.7633 8.0414 128.1752 50.2486 16.7943 177.6648 4 A 5.4792 7.4433 131.9315 51.7961 21.7309 177.7843 5 K 4.4895 6.6986 117.3578 56.5088 31.7265 176.2882 6 G 3.7534 9.2061 122.4964 48.0810 0.0000 176.5270 7 D 3.3700 8.0438 114.4689 51.7265 44.0886 175.4116 8 H 3.9405 9.2545 117.5845 57.1051 28.5126 176.7498 9 G 3.7430 8.7551 107.2825 46.5843 0.0000 173.7190 10 G 3.7283 6.9285 104.4443 45.9397 0.0000 170.5096 *12 G 3.8773 7.6238 106.9924 45.4005 0.0000 172.8312 13 A 4.1352 8.6391 119.3375 55.3379 18.2999 179.9939 14 R 3.9392 8.0568 116.7612 59.8378 30.2265 178.7857 15 T 3.9457 7.8916 115.1310 66.5245 68.5664 176.6111 16 W 4.1495 8.2671 120.5476 59.1778 29.0254 178.6890 17 R 3.8977 8.1625 119.2177 59.0222 29.4601 178.0397 18 F 4.4012 8.3647 120.5985 61.6077 39.3055 177.2056 19 L 3.9020 8.1062 118.4971 57.7968 41.3470 179.6056 20 T 3.7874 7.8593 115.7686 66.7967 68.2147 176.5695 21 F 5.0550 8.0815 117.7555 59.4203 39.2699 177.5479 22 G 4.1162 8.5669 103.9383 45.0839 0.0000 173.3579 23 L 4.5069 7.6660 119.8214 56.2025 44.1202 177.7638 24 A 3.9839 8.2714 120.3695 55.3419 18.2185 179.4921 25 L 3.9834 8.6480 116.9296 57.5176 41.7754 178.1236 26 P 4.2842 0.0000 0.0000 65.6815 31.2729 178.7868 27 S 4.1063 8.1512 114.0415 61.6222 62.7643 176.9363 28 V 3.5875 7.7921 120.7311 65.7923 31.2581 177.9588 29 A 4.0268 8.2830 120.9075 55.0619 18.1722 179.5895 30 L 3.9196 8.0932 117.5518 58.3541 41.7177 179.7169 31 C 4.1147 8.1461 116.3573 62.9120 27.9525 176.3477 32 T 3.6794 7.9210 117.6730 66.0154 67.7499 176.6704 33 L 3.9388 7.6190 121.7074 58.1178 42.5360 177.9292 34 N 4.2792 8.3301 117.3002 56.9303 38.7352 176.9412 35 S 3.8365 7.9102 116.1995 60.9061 63.5518 175.7455 36 W 5.2675 7.5539 120.7767 55.4653 27.0978 175.4104 37 L 4.7926 7.3501 121.6903 57.1093 49.1525 175.6407 38 H 4.7103 8.2360 113.1402 56.6621 30.0075 177.5583 39 S 4.5169 7.3305 113.1442 56.3442 62.1466 174.6049 40 G 3.7088 9.2518 116.6383 44.7122 0.0000 172.2328 41 H 4.1576 8.7772 122.1055 56.3415 28.9145 175.3558 42 R 4.1626 8.4929 123.9175 55.0897 30.7848 175.8396 43 E 3.8616 8.9231 121.7707 56.3881 29.4951 177.4221 44 R 4.0071 8.5631 121.0703 55.5290 29.7726 175.0328 45 P 4.4380 0.0000 0.0000 61.9979 32.1216 175.9371 46 A 4.2053 8.5275 122.7310 52.6490 18.8152 177.2803 47 F 4.4451 8.8771 123.5458 57.8914 40.2473 175.1417 48 I 4.1488 6.8865 126.9787 58.8928 40.2514 175.5744 49 P 4.1925 0.0000 0.0000 61.2925 29.7417 176.7669 50 Y 4.1360 7.2831 115.7377 59.0283 38.4615 177.9592 51 H 4.4979 8.8872 120.5654 57.8355 29.2112 175.6731 52 H 4.7332 8.2275 113.4734 55.2744 28.8507 174.0501 53 L 4.7469 7.0825 118.1967 53.1331 45.1885 175.6537 54 R 3.8319 8.6123 115.4973 57.2235 27.6053 177.4163 55 I 3.8485 7.6565 116.6027 61.8310 37.8624 177.4117 56 R 4.3276 8.1612 123.1450 55.0126 31.3325 174.3079 57 T 4.3353 7.9277 111.9268 61.6661 70.4263 175.5163 58 K 4.3678 7.2607 121.4777 54.1066 35.0822 173.2085 59 P 4.2073 0.0000 0.0000 62.2700 32.1223 176.2375 60 F 3.8086 7.8979 119.5185 57.7596 39.0885 176.1651 61 S 4.3497 8.1089 119.1422 58.3140 62.6326 173.8279 62 W 5.3208 7.6412 116.9206 55.3423 31.9804 176.2801 63 G 3.7244 8.5067 108.5363 47.4414 0.0000 173.9458 64 D 4.5898 8.9219 124.3311 52.7225 39.6897 177.6702 65 G 3.8009 8.4490 108.1444 46.1615 0.0000 174.4122 66 N 4.9782 8.5476 116.0264 53.2297 40.0591 173.4426 67 H 4.8739 8.0649 114.5021 54.4543 30.8944 174.5514 68 T 3.5156 8.3145 113.8104 61.0936 69.4987 174.7861 69 F 3.0414 9.0504 124.7833 60.8333 39.4005 176.7993 70 F 4.8541 7.8600 116.9898 56.5255 39.1932 175.7451 71 H 4.0938 7.9038 120.3039 56.5473 30.5097 173.6341 72 N 4.8201 9.0773 125.4437 51.0269 39.6824 172.6622 73 P 4.3622 0.0000 0.0000 65.7607 31.7281 178.0915 74 R 4.0406 7.9161 117.1812 58.6991 29.9703 177.3827 75 V 4.4751 7.7820 106.9452 60.7312 33.6922 174.9622 76 N 4.8373 8.6382 118.1135 50.6548 38.4690 172.9700 77 P 4.2870 0.0000 0.0000 62.0046 32.4289 176.1188 78 L 4.4553 7.9785 120.0305 52.8583 42.8377 176.2697 79 P 4.3117 0.0000 0.0000 65.6155 31.1360 177.6338 80 T 4.2046 7.6366 105.5444 60.6465 69.3954 172.9328 81 G 2.1018 7.1868 108.6821 43.3433 0.0000 173.1909 82 Y 4.4007 7.6737 116.4365 58.0132 38.2912 176.3981 83 E 4.4328 8.5148 121.5103 55.0817 30.9496 177.0753 84 K 4.1043 8.5658 118.5550 57.1345 32.0618 177.1765 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 4.33 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 2 S 8.20 4.23 0.00 3.82 3.76 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 3 A 8.04 3.76 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 4 A 7.44 5.48 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 5 K 6.70 4.49 0.00 1.61 0.76 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.30 7.81 6 G 9.21 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 7 D 8.04 3.37 0.00 2.65 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 0.00 0.00 0.00 0.00 8 H 9.25 3.94 0.00 3.54 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.76 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 0.00 0.00 0.00 10 G 6.93 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 0.00 0.00 0.00 *12 G 7.62 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 13 A 8.64 4.14 1.39 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 0.00 0.00 14 R 8.06 3.94 0.00 1.94 2.00 0.00 3.20 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 15 T 7.89 3.95 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 0.78 0.00 0.00 16 W 8.27 4.15 0.00 3.44 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 17 R 8.16 3.90 0.00 2.09 2.19 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 18 F 8.36 4.40 0.00 3.34 3.07 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 19 L 8.11 3.90 0.00 1.82 1.61 -0.07 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.86 3.79 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 0.82 0.00 0.00 21 F 8.08 5.06 0.00 3.15 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 22 G 8.57 4.12 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 0.00 0.00 0.00 23 L 7.67 4.51 0.00 1.63 1.75 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.27 3.98 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 25 L 8.65 3.98 0.00 1.87 1.85 1.16 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.28 0.00 2.31 2.14 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 27 S 8.15 4.11 0.00 4.12 3.91 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 0.00 0.00 0.00 28 V 7.79 3.59 2.26 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 1.03 0.00 0.00 1.02 0.00 0.00 29 A 8.28 4.03 1.42 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 30 L 8.09 3.92 0.00 1.84 1.71 0.92 0.84 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 31 C 8.15 4.11 0.00 2.91 2.87 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 32 T 7.92 3.68 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 1.40 0.00 0.00 33 L 7.62 3.94 0.00 1.78 1.91 0.96 0.94 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 34 N 8.33 4.28 0.00 2.67 2.83 0.00 0.00 7.34 7.26 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 35 S 7.91 3.84 0.00 3.20 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 36 W 7.55 5.27 0.00 3.38 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 37 L 7.35 4.79 0.00 1.88 1.77 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.24 4.71 0.00 3.14 3.33 0.00 5.91 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.33 4.52 0.00 4.24 3.40 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 40 G 9.25 3.71 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 0.00 0.00 0.00 41 H 8.78 4.16 0.00 3.17 3.30 0.00 5.70 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 42 R 8.49 4.16 0.00 1.84 1.88 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 43 E 8.92 3.86 0.00 1.96 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 2.33 2.28 0.00 44 R 8.56 4.01 0.00 1.95 1.92 0.00 2.40 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.00 45 P 0.00 4.44 0.00 2.31 2.17 0.00 3.94 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 46 A 8.53 4.21 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 47 F 8.88 4.45 0.00 2.99 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 48 I 6.89 4.15 1.31 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 1.20 0.64 -0.13 0.00 0.00 49 P 0.00 4.19 0.00 1.91 2.11 0.00 3.37 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.33 0.00 50 Y 7.28 4.14 0.00 2.82 2.64 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 51 H 8.89 4.50 0.00 3.23 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.23 4.73 0.00 3.26 3.38 0.00 5.47 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.08 4.75 0.00 1.60 1.57 0.81 0.83 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 54 R 8.61 3.83 0.00 1.93 2.02 0.00 3.35 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 55 I 7.66 3.85 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.90 0.00 0.00 56 R 8.16 4.33 0.00 1.68 1.71 0.00 3.19 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.00 57 T 7.93 4.34 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 1.18 0.00 0.00 58 K 7.26 4.37 0.00 1.59 1.52 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.18 1.31 7.81 59 P 0.00 4.21 0.00 2.08 1.91 0.00 3.71 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 1.88 1.90 0.00 60 F 7.90 3.81 0.00 2.31 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.35 0.00 4.09 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 62 W 7.64 5.32 0.00 3.42 3.33 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 63 G 8.51 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 0.00 0.00 0.00 64 D 8.92 4.59 0.00 2.81 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 65 G 8.45 3.80 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 0.00 0.00 0.00 66 N 8.55 4.98 0.00 2.66 2.80 0.00 0.00 6.99 7.21 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 67 H 8.06 4.87 0.00 3.19 3.20 0.00 5.96 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.31 3.52 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 1.34 0.00 0.00 69 F 9.05 3.04 0.00 2.54 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 70 F 7.86 4.85 0.00 3.08 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 71 H 7.90 4.09 0.00 3.26 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 9.08 4.82 0.00 2.73 2.80 0.00 0.00 6.82 8.38 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 73 P 0.00 4.36 0.00 2.11 2.20 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 74 R 7.92 4.04 0.00 1.83 1.99 0.00 3.31 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 75 V 7.78 4.48 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 0.84 0.00 0.00 0.97 0.00 0.00 76 N 8.64 4.84 0.00 2.68 2.86 0.00 0.00 6.99 7.90 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 77 P 0.00 4.29 0.00 1.90 0.72 0.00 3.75 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 78 L 7.98 4.46 0.00 1.75 1.58 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.31 0.00 2.06 2.18 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 80 T 7.64 4.20 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 1.20 0.00 0.00 81 G 7.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.67 4.40 0.00 2.94 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 83 E 8.51 4.43 0.00 2.05 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 2.33 2.41 0.00 84 K 8.57 4.10 0.00 1.73 1.75 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.