NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1168 8.2127 108.0342 46.4853 0.0000 171.6027 2 V 4.8952 8.2933 120.3198 60.2988 32.8882 174.7810 3 Y 4.9833 8.5721 123.8716 56.2300 42.1531 172.4162 4 H 5.2220 9.3296 120.2192 55.1473 31.8693 174.3191 5 R 4.8394 8.5306 122.9629 54.2897 34.0082 174.1563 6 E 5.0588 8.5854 119.8121 53.8634 32.7983 175.6440 7 A 4.1585 8.4874 123.0004 52.1236 19.1914 178.7909 8 R 3.9035 8.7142 119.8167 59.5668 30.1476 178.4505 9 S 4.2232 7.8571 109.6101 58.5145 63.6989 172.2497 10 G 3.7258 7.6332 106.6140 43.9075 0.0000 173.2377 11 K 4.0345 8.4889 120.8119 57.7828 33.1915 177.3050 12 Y 4.0574 9.3140 122.7981 59.8713 35.4974 170.8261 13 K 4.7038 7.9591 111.6176 55.7524 34.5759 176.3662 14 L 4.9730 8.3309 120.2925 52.8444 43.9301 176.9048 15 T 5.5111 8.8727 116.1348 60.7997 70.9408 175.0913 16 Y 2.3900 7.7360 121.4336 60.1651 38.4670 177.9655 17 A 3.6691 7.6419 121.0912 54.9830 18.4267 179.3306 18 E 3.7754 7.9175 116.3227 59.3499 29.6728 179.1257 19 A 3.9232 8.1356 121.1318 55.0483 18.4300 179.3319 20 K 3.5823 7.7714 118.1694 59.8068 32.1726 178.7934 21 A 3.9624 7.8151 120.7717 54.8722 18.3243 179.8312 22 V 3.5030 8.0010 117.1127 66.4425 31.6299 177.6572 23 C 4.3534 8.1908 116.2184 60.1447 41.2240 176.0667 24 E 4.2655 8.3687 121.6188 58.7193 28.7993 178.8581 25 F 4.0383 8.4525 120.2185 61.4724 39.4830 176.3470 26 E 4.4522 8.0217 114.0461 56.5688 29.3833 177.3987 27 G 3.9988 8.5386 107.8462 44.9287 0.0000 174.0265 28 G 4.1923 8.1885 108.2620 45.4822 0.0000 171.6655 29 H 5.2956 8.9174 117.9717 53.8034 34.0891 173.1995 30 L 4.5045 8.7135 119.5583 55.4339 42.2000 177.3602 31 A 4.5215 9.1318 126.0698 52.0005 19.6122 177.6245 32 T 4.3470 8.9017 111.8570 61.1511 70.0920 175.0424 33 Y 3.9507 8.8041 122.9447 61.1217 38.6405 178.7079 34 K 4.0883 8.1579 118.6776 59.4313 32.0774 179.3151 35 Q 3.7291 7.9503 118.4231 58.6848 28.6058 178.2271 36 L 3.7500 7.8946 121.5900 58.1149 42.0071 178.6459 37 E 3.6806 8.2080 119.3332 59.0716 29.1378 178.6664 38 A 3.9009 8.0485 120.6175 55.0070 18.4393 179.3341 39 A 3.9191 8.0833 119.5239 55.4143 18.4144 179.8663 40 R 4.3424 8.0851 118.4876 59.1111 29.9523 178.8885 41 K 4.1218 8.1972 117.5357 58.1933 31.9640 177.6142 42 I 4.3752 7.0273 111.4537 61.1039 37.7005 176.2360 43 G 4.0069 7.9495 107.6782 45.7815 0.0000 174.3073 44 F 4.5056 8.7119 123.8822 58.2420 40.2254 173.6776 45 H 4.8418 8.2402 126.0367 54.2643 32.3118 172.6241 46 V 3.9552 7.6094 124.8149 60.8552 34.0703 175.7304 47 C 3.8917 8.1585 128.0287 54.3320 38.8075 172.7910 48 A 4.5047 5.8000 118.4088 50.4650 22.4866 177.1382 49 A 4.1019 9.5745 125.8446 51.8051 19.5929 176.8500 50 G 4.4431 9.1116 108.8104 43.7500 0.0000 172.1449 51 W 5.1269 9.1189 122.4989 57.6721 30.5171 175.1898 52 M 5.5335 9.4681 121.3532 53.2271 36.6491 174.2697 53 A 4.1088 8.9727 122.3923 54.4201 18.7840 178.5320 54 K 3.9181 9.4411 118.9874 56.8180 29.6561 177.0669 55 G 3.7891 8.2497 106.5592 45.7379 0.0000 173.9689 56 R 4.6621 7.7180 119.9478 56.2230 31.5831 175.4585 57 V 4.7058 8.4505 123.5701 61.1357 34.5420 174.5773 58 G 4.6901 8.6743 112.9231 45.1338 0.0000 171.1900 59 Y 5.0471 8.2142 120.6730 55.0518 42.1517 172.0547 60 P 4.7397 0.0000 0.0000 62.1210 33.1557 174.8646 61 I 4.5686 8.3457 126.0165 59.5986 38.9136 177.2074 62 V 3.7729 8.8837 121.1478 63.5252 32.1331 177.2491 63 K 4.4745 7.7409 114.3937 57.5739 37.5568 176.6792 *67 N 4.7628 7.4789 112.8766 51.9524 38.0198 176.8277 68 C 3.9464 9.5308 113.7588 56.7794 37.2824 173.3388 69 G 3.9780 7.9202 109.2926 44.2489 0.0000 173.9388 70 F 4.4651 9.0335 125.5690 56.9816 41.4114 176.9260 71 G 4.2137 9.7785 112.8067 44.4726 0.0000 175.5945 72 K 4.6720 9.1173 119.0081 55.5283 36.5368 174.8673 73 T 4.5208 8.4229 108.4202 59.4446 71.7177 172.1149 74 G 3.7601 8.5864 106.7867 44.2115 0.0000 172.3643 75 I 4.2595 7.8790 119.6145 61.0638 37.6210 175.9007 76 I 4.0921 8.9691 127.7296 60.8923 38.2347 174.6607 77 D 4.9406 8.8081 127.8705 53.8118 41.1672 175.4851 78 Y 4.1411 9.0637 124.1378 58.2427 38.6851 177.0686 79 G 3.9583 8.6821 105.4778 44.8358 0.0000 172.7932 80 I 4.3596 7.9165 119.7491 60.9713 37.3440 176.2250 81 R 4.4585 8.5093 125.6517 54.9261 31.0910 176.6168 82 L 3.9571 8.7589 125.0174 57.7313 42.6081 176.3073 83 N 4.7251 8.0711 119.6141 52.3784 38.2162 174.9821 84 R 4.4076 8.4857 124.3388 57.3902 30.4718 178.1743 85 S 4.6348 8.5051 113.8689 58.3495 63.4968 174.4504 86 E 4.0689 8.3061 121.0163 56.7085 29.8067 176.1412 87 R 5.0110 7.9295 120.3763 54.4961 32.0467 175.3028 88 W 4.9754 9.2128 123.6427 55.9987 33.7043 172.8051 89 D 5.4741 8.8127 120.8219 54.3758 43.6282 175.3360 90 A 5.1434 8.2732 120.0550 51.4805 23.2794 175.3511 91 Y 4.9074 8.9865 119.2380 56.5849 40.3811 174.3954 92 C 5.2172 8.7917 122.3871 55.2057 44.2134 172.2307 93 Y 5.3277 9.3296 123.5311 55.9074 41.2162 174.0407 94 N 4.7249 8.6687 125.4485 51.1521 40.7870 172.0764 95 P 4.0741 0.0000 0.0000 65.8019 31.5318 176.1232 96 H 4.3643 7.3896 119.0457 55.9500 28.4916 174.9370 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 G 8.21 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 2 V 8.29 4.90 1.65 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 0.49 0.00 0.00 0.91 0.00 0.00 3 Y 8.57 4.98 0.00 3.19 2.97 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 4 H 9.33 5.22 0.00 3.51 3.45 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.53 4.84 0.00 1.63 1.72 0.00 3.36 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 6 E 8.59 5.06 0.00 2.08 1.95 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 2.16 2.26 0.00 7 A 8.49 4.16 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 8 R 8.71 3.90 0.00 1.78 2.01 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 9 S 7.86 4.22 0.00 3.97 3.98 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 10 G 7.63 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 11 K 8.49 4.03 0.00 1.59 1.56 0.00 1.67 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.48 1.04 7.81 12 Y 9.31 4.06 0.00 3.03 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 13 K 7.96 4.70 0.00 1.87 1.77 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.67 7.81 14 L 8.33 4.97 0.00 2.05 1.66 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.87 5.51 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 1.29 0.00 0.00 16 Y 7.74 2.39 0.00 1.43 2.37 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 17 A 7.64 3.67 1.24 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 0.00 0.00 18 E 7.92 3.78 0.00 2.22 1.97 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 2.36 2.33 0.00 19 A 8.14 3.92 1.36 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 20 K 7.77 3.58 0.00 1.15 1.58 0.00 1.33 0.00 0.00 1.45 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.32 7.81 21 A 7.82 3.96 1.36 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 22 V 8.00 3.50 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 1.04 0.00 0.00 0.93 0.00 0.00 23 C 8.19 4.35 0.00 3.11 3.13 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 24 E 8.37 4.27 0.00 2.01 1.97 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 2.41 2.31 0.00 25 F 8.45 4.04 0.00 3.06 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 26 E 8.02 4.45 0.00 2.33 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 0.00 2.57 2.73 0.00 27 G 8.54 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 0.00 0.00 0.00 28 G 8.19 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 29 H 8.92 5.30 0.00 3.22 3.21 0.00 5.84 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 30 L 8.71 4.50 0.00 1.63 1.74 0.86 0.96 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 31 A 9.13 4.52 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 32 T 8.90 4.35 4.28 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 1.22 0.00 0.00 33 Y 8.80 3.95 0.00 3.12 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 34 K 8.16 4.09 0.00 1.84 1.83 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.68 7.81 35 Q 7.95 3.73 0.00 2.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 1.73 2.06 0.00 36 L 7.89 3.75 0.00 1.57 1.49 0.62 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.21 3.68 0.00 1.60 1.92 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 2.29 2.31 0.00 38 A 8.05 3.90 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 39 A 8.08 3.92 1.19 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 40 R 8.09 4.34 0.00 1.99 2.04 0.00 3.29 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 41 K 8.20 4.12 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.71 7.81 42 I 7.03 4.38 1.89 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 1.47 0.77 0.92 0.00 0.00 43 G 7.95 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 44 F 8.71 4.51 0.00 3.17 3.05 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 0.00 0.00 0.00 0.00 45 H 8.24 4.84 0.00 3.01 3.01 0.00 5.92 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.61 3.96 1.89 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 0.47 0.00 0.00 0.35 0.00 0.00 47 C 8.16 3.89 0.00 2.88 3.06 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 48 A 5.80 4.50 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 49 A 9.57 4.10 0.17 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 50 G 9.11 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 0.00 0.00 0.00 0.00 51 W 9.12 5.13 0.00 3.41 3.31 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 52 M 9.47 5.53 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.63 0.00 53 A 8.97 4.11 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 54 K 9.44 3.92 0.00 2.01 2.01 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.48 7.81 55 G 8.25 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.72 4.66 0.00 2.00 1.93 0.00 3.22 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 57 V 8.45 4.71 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 -0.58 0.00 0.00 -0.38 0.00 0.00 58 G 8.67 4.69 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 0.00 0.00 0.00 0.00 59 Y 8.21 5.05 0.00 2.65 2.48 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 60 P 0.00 4.74 0.00 2.10 1.94 0.00 3.56 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 61 I 8.35 4.57 1.94 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.92 0.00 0.00 62 V 8.88 3.77 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 0.83 0.00 0.00 0.82 0.00 0.00 63 K 7.74 4.47 0.00 1.57 1.72 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.45 7.81 *67 N 7.48 4.76 0.00 2.97 2.20 0.00 0.00 6.37 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 68 C 9.53 3.95 0.00 3.06 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 69 G 7.92 3.98 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 0.00 0.00 0.00 70 F 9.03 4.47 0.00 2.89 2.97 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 71 G 9.78 4.21 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 0.00 72 K 9.12 4.67 0.00 1.84 1.79 0.00 1.55 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.50 7.81 73 T 8.42 4.52 4.40 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 1.23 0.00 0.00 74 G 8.59 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 0.00 0.00 0.00 75 I 7.88 4.26 1.84 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.46 0.87 0.00 0.00 76 I 8.97 4.09 1.92 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 0.90 0.98 1.10 0.00 0.00 77 D 8.81 4.94 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 9.06 4.14 0.00 2.47 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 79 G 8.68 3.96 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 0.00 0.00 0.00 80 I 7.92 4.36 1.88 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 1.45 0.59 0.95 0.00 0.00 81 R 8.51 4.46 0.00 2.21 2.08 0.00 3.47 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.41 0.00 82 L 8.76 3.96 0.00 1.62 1.75 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.07 4.73 0.00 2.92 2.84 0.00 0.00 7.21 7.65 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 84 R 8.49 4.41 0.00 1.87 1.82 0.00 2.49 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.39 0.00 85 S 8.51 4.63 0.00 4.05 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 86 E 8.31 4.07 0.00 2.51 1.78 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 2.38 2.57 0.00 87 R 7.93 5.01 0.00 1.63 1.89 0.00 3.17 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 88 W 9.21 4.98 0.00 2.73 2.81 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 89 D 8.81 5.47 0.00 2.81 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 0.00 90 A 8.27 5.14 1.19 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 91 Y 8.99 4.91 0.00 3.08 2.93 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 92 C 8.79 5.22 0.00 1.29 2.52 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 93 Y 9.33 5.33 0.00 2.92 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 94 N 8.67 4.72 0.00 2.78 2.73 0.00 0.00 7.27 6.97 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 95 P 0.00 4.07 0.00 2.03 2.13 0.00 3.41 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 96 H 7.39 4.36 0.00 3.21 3.22 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.