NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4376 8.3049 118.1945 54.3908 32.5906 174.8412 1 I 3.6063 8.1390 120.2673 61.5225 37.4595 174.4491 2 Q 4.9062 9.3308 124.2527 54.4472 33.4209 174.2276 3 R 4.7927 9.3752 122.9322 54.6254 33.8995 174.9973 4 T 4.9911 8.8719 119.9869 61.5487 69.6588 172.8804 5 P 4.7957 0.0000 0.0000 62.8726 32.2628 176.2272 6 K 4.3988 9.4256 123.0431 56.4095 33.6284 176.0372 7 I 5.1160 8.2764 123.0797 59.7866 40.6570 174.7135 8 Q 4.8508 9.4409 125.6203 54.0578 32.3927 174.4831 9 V 5.0828 8.4632 123.3416 61.4559 33.9686 173.8953 10 Y 5.2742 8.5525 124.3270 56.6775 41.5727 173.1296 11 S 5.0645 9.1211 114.8915 57.1104 64.7104 174.2666 12 R 4.1416 9.1775 123.2185 59.4409 30.1871 176.3279 13 H 5.0422 8.6657 113.6644 52.6533 31.5846 172.2468 14 P 4.3095 0.0000 0.0000 62.8180 31.5002 176.5398 15 A 4.2411 8.8742 126.2003 52.4146 19.0171 176.5316 16 E 4.6736 8.5735 121.8313 54.1275 32.9332 175.1062 17 N 4.6976 8.8243 121.5771 54.9515 39.0288 175.6173 18 G 3.9317 9.0763 110.6207 45.3503 0.0000 173.2505 19 K 4.5266 7.5574 119.4336 53.7741 34.2291 176.2617 20 S 4.1241 8.4040 118.4233 59.3791 63.6663 172.8544 21 N 4.9266 8.4377 119.3298 53.3220 43.0508 172.3191 22 F 5.3116 8.9578 117.2328 55.5580 42.9755 174.1772 23 L 4.0808 8.7850 125.4356 53.6204 43.3341 174.8484 24 N 5.4646 8.9055 123.7089 51.4476 42.0098 172.8394 25 C 5.2732 9.3556 122.4363 55.1293 47.9664 171.8091 26 Y 5.5037 9.5234 129.0364 56.4158 40.3345 174.4231 27 V 5.0305 8.8309 120.8076 59.6967 34.4876 175.1361 28 S 4.9818 8.8838 118.6926 57.8771 66.8745 174.7973 29 G 4.4557 8.6688 107.3364 46.8645 0.0000 173.3712 30 F 5.1983 7.3607 114.2386 55.7379 41.1592 174.0031 31 H 5.2898 9.0848 117.6976 54.8288 33.7491 172.0530 32 P 4.9657 0.0000 0.0000 62.4042 32.4840 175.8935 33 S 4.0720 8.4704 112.7371 60.0068 63.3451 174.0925 34 D 4.4339 7.9081 121.8590 54.4043 40.7793 175.1343 35 I 4.7240 8.0067 123.2813 59.5529 41.5272 173.3845 36 E 4.6573 8.9724 127.0206 54.4767 32.2221 175.2087 37 V 4.5237 7.9696 123.3960 61.0624 34.2909 174.0628 38 D 5.0137 9.0230 127.3872 52.4446 44.6754 174.7675 39 L 5.0350 8.3240 121.1006 53.2553 44.2378 175.3004 40 L 5.2300 9.1084 123.1716 52.7445 45.3134 175.2277 41 K 4.3305 8.8910 124.4890 54.8381 34.4634 175.8847 42 N 4.0536 9.9317 127.0341 54.2589 36.7272 175.5568 43 G 3.9299 8.5665 108.1890 45.7597 0.0000 174.3045 *44 E 4.6447 7.7284 115.9938 53.5548 31.7172 181.0370 45 R 4.3514 8.3304 122.5238 56.0122 30.7509 176.0857 46 I 4.0844 8.6919 129.5096 61.4331 37.8970 176.7518 *47 E 4.1137 8.8575 121.8046 58.3411 30.2910 174.6587 48 K 4.3170 7.6794 121.6418 54.6451 30.6288 174.4671 49 V 4.4740 7.4517 119.2144 60.8769 34.0953 174.8870 50 E 4.5913 8.5023 127.3614 54.9863 32.3866 174.3011 51 H 5.2546 7.7574 115.1371 53.6972 31.7500 173.1085 52 S 4.5752 9.0598 115.3038 58.0097 64.1777 173.4165 53 D 4.5080 8.4815 120.4077 53.4472 41.2341 176.3157 54 L 3.9691 8.5821 125.6530 56.2534 42.6252 175.8166 55 S 4.7507 8.2533 118.5587 56.9421 66.6729 171.7327 56 F 5.3057 7.5414 114.4899 55.6971 40.8605 174.2124 57 S 4.6769 9.4957 119.3246 57.5963 64.1013 176.3250 *58 K 3.9680 8.5097 122.6929 57.6024 31.2405 175.9281 59 D 4.5093 7.8474 114.5893 53.1513 39.5768 177.2455 60 W 3.7252 8.0640 119.9549 56.6516 28.0984 174.6712 61 S 4.3768 8.1816 114.0021 58.1393 64.1259 173.9079 62 F 4.9812 8.5928 121.2176 57.2054 40.5118 174.2624 63 Y 5.5056 8.4578 118.1755 55.7712 41.7231 173.9886 64 L 5.1183 9.5917 120.6403 53.2555 47.0111 174.8015 65 L 5.3657 9.5022 125.2333 53.9457 44.1677 174.5722 66 Y 5.1690 9.3259 125.0162 57.0221 40.2023 174.3837 67 Y 5.3947 8.6296 120.1017 56.7092 42.0480 173.3108 68 T 4.9537 8.8466 114.2243 60.6270 71.4245 172.7179 69 E 3.8716 8.5874 127.2011 56.4377 30.2567 176.0750 70 F 4.8463 9.0280 117.6574 56.1183 41.9787 173.3428 71 T 4.2994 8.1541 116.7223 60.7157 70.0643 172.4540 72 P 4.6391 0.0000 0.0000 63.1241 32.7141 175.4721 73 T 4.9991 8.5551 112.7085 60.1499 72.1115 174.2953 *74 E 4.1330 8.9381 117.0595 58.3383 29.7760 175.5139 75 K 4.3996 7.8924 116.6626 58.0227 33.8866 176.9894 76 D 4.5833 8.0737 119.8717 54.2134 41.4347 175.1445 77 E 4.9023 9.0846 123.4281 54.9843 32.0794 174.6807 78 Y 5.3889 8.8675 119.7438 56.5527 42.2774 174.2321 79 A 5.1600 8.9297 122.4135 51.0846 23.7141 173.9980 80 C 5.3430 9.5194 119.3581 54.7290 45.6806 172.6564 81 R 5.0807 9.0810 126.2328 54.5419 32.5757 174.1279 82 V 4.7942 8.8442 126.5615 61.0229 34.5778 173.6985 83 N 5.3019 8.8625 125.8020 52.4497 42.5061 172.2460 84 H 4.8191 8.3605 121.0941 55.2972 32.8332 174.7831 85 V 3.5876 8.2030 116.3033 64.5951 31.6912 177.6895 86 T 4.2071 8.0254 108.0046 62.3946 69.3031 173.6411 87 L 4.9604 7.8304 123.7027 52.9004 43.6420 176.8613 88 S 4.3323 8.7185 118.3751 60.4574 63.5820 174.0571 89 Q 4.5875 7.5392 116.1871 53.1306 31.5082 172.4435 90 P 4.4766 0.0000 0.0000 63.2421 32.2108 175.5067 91 K 4.4774 9.1945 125.2150 54.9848 34.0197 174.8089 92 I 4.8653 8.3724 128.2091 59.6264 39.2393 174.9901 93 V 4.4313 8.7700 127.5815 60.9093 33.7842 174.8385 94 K 4.7595 8.7402 127.4520 55.6883 33.1660 176.5067 95 W 4.5907 9.4271 135.0000 57.3694 31.6149 174.9215 96 D 4.5025 8.5609 126.3819 52.0417 42.2209 176.1264 97 R 3.5355 7.8656 121.3253 57.0650 29.1208 176.2037 98 D 5.0344 8.0053 118.1788 53.0923 39.8133 175.7227 99 M 4.3640 8.0383 124.1790 56.9855 33.1011 175.1586 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 0 M 8.30 4.44 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 1 I 8.14 3.61 1.80 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 1.40 0.63 0.87 0.00 0.00 2 Q 9.33 4.91 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.60 0.00 3 R 9.38 4.79 0.00 1.92 1.95 0.00 3.17 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 4 T 8.87 4.99 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 1.24 0.00 0.00 5 P 0.00 4.80 0.00 1.95 1.70 0.00 3.72 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 6 K 9.43 4.40 0.00 1.82 1.82 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 7 I 8.28 5.12 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.95 0.00 0.00 8 Q 9.44 4.85 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 9 V 8.46 5.08 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 0.90 0.00 0.00 1.03 0.00 0.00 10 Y 8.55 5.27 0.00 3.18 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 11 S 9.12 5.06 0.00 4.14 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 12 R 9.18 4.14 0.00 1.85 2.26 0.00 3.20 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.48 0.00 13 H 8.67 5.04 0.00 3.30 3.24 0.00 5.73 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 14 P 0.00 4.31 0.00 2.10 2.08 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 15 A 8.87 4.24 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 0.00 0.00 0.00 0.00 0.00 16 E 8.57 4.67 0.00 1.98 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 0.00 2.31 2.52 0.00 17 N 8.82 4.70 0.00 2.72 2.79 0.00 0.00 7.20 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 18 G 9.08 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 19 K 7.56 4.53 0.00 1.81 1.67 0.00 1.99 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.46 7.81 20 S 8.40 4.12 0.00 3.77 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 21 N 8.44 4.93 0.00 2.70 2.42 0.00 0.00 6.92 7.77 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 22 F 8.96 5.31 0.00 2.99 2.91 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 23 L 8.79 4.08 0.00 0.27 0.66 -0.25 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.91 5.46 0.00 1.44 2.03 0.00 0.00 5.99 8.31 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 25 C 9.36 5.27 0.00 2.88 2.94 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 26 Y 9.52 5.50 0.00 3.37 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 27 V 8.83 5.03 1.88 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 0.62 0.00 0.00 1.05 0.00 0.00 28 S 8.88 4.98 0.00 3.85 3.28 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 29 G 8.67 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.36 5.20 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 31 H 9.08 5.29 0.00 3.29 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.97 0.00 2.15 2.18 0.00 3.90 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 2.01 2.01 0.00 33 S 8.47 4.07 0.00 3.21 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 34 D 7.91 4.43 0.00 2.66 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 35 I 8.01 4.72 1.54 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.61 0.82 0.00 0.00 36 E 8.97 4.66 0.00 1.82 1.72 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 2.16 2.15 0.00 37 V 7.97 4.52 0.67 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 0.29 0.00 0.00 0.41 0.00 0.00 38 D 9.02 5.01 0.00 2.50 2.45 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 39 L 8.32 5.03 0.00 1.55 1.51 0.84 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.11 5.23 0.00 1.51 1.51 0.91 0.48 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 41 K 8.89 4.33 0.00 1.85 1.61 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.15 0.84 7.81 42 N 9.93 4.05 0.00 2.72 2.78 0.00 0.00 7.23 7.52 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 43 G 8.57 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 *44 E 7.73 4.64 0.00 1.91 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 2.16 2.09 0.00 45 R 8.33 4.35 0.00 1.74 1.85 0.00 3.44 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 46 I 8.69 4.08 1.87 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 1.22 0.80 0.95 0.00 0.00 *47 E 8.86 4.11 0.00 1.99 1.86 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 2.23 1.86 0.00 48 K 7.68 4.32 0.00 1.69 1.75 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.35 7.81 49 V 7.45 4.47 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 1.00 0.00 0.00 0.94 0.00 0.00 50 E 8.50 4.59 0.00 1.16 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 2.09 2.05 0.00 51 H 7.76 5.25 0.00 2.22 1.75 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.06 4.58 0.00 3.94 4.06 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 53 D 8.48 4.51 0.00 2.70 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 54 L 8.58 3.97 0.00 1.63 1.63 0.79 0.59 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 55 S 8.25 4.75 0.00 3.69 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.54 5.31 0.00 2.82 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 57 S 9.50 4.68 0.00 4.08 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 0.00 *58 K 8.51 3.97 0.00 1.77 1.75 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.02 7.81 59 D 7.85 4.51 0.00 2.77 2.75 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 60 W 8.06 3.73 0.00 3.27 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 61 S 8.18 4.38 0.00 3.96 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 F 8.59 4.98 0.00 1.62 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.46 5.51 0.00 2.99 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 64 L 9.59 5.12 0.00 1.92 1.66 1.15 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.50 5.37 0.00 1.99 1.72 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.33 5.17 0.00 3.12 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 67 Y 8.63 5.39 0.00 3.09 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 68 T 8.85 4.95 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 1.06 0.00 0.00 69 E 8.59 3.87 0.00 1.67 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 1.47 1.86 0.00 70 F 9.03 4.85 0.00 2.84 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 71 T 8.15 4.30 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 1.09 0.00 0.00 72 P 0.00 4.64 0.00 2.23 2.37 0.00 3.37 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.70 0.00 73 T 8.56 5.00 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 1.30 0.00 0.00 *74 E 8.94 4.13 0.00 2.01 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 2.23 1.87 0.00 75 K 7.89 4.40 0.00 1.87 1.98 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.46 7.81 76 D 8.07 4.58 0.00 2.93 2.44 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 77 E 9.08 4.90 0.00 1.86 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 2.28 2.43 0.00 78 Y 8.87 5.39 0.00 3.11 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 79 A 8.93 5.16 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 80 C 9.52 5.34 0.00 2.93 2.92 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 0.00 0.00 0.00 81 R 9.08 5.08 0.00 1.82 1.67 0.00 3.05 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 82 V 8.84 4.79 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 0.66 0.00 0.00 0.81 0.00 0.00 83 N 8.86 5.30 0.00 2.68 2.53 0.00 0.00 6.33 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 84 H 8.36 4.82 0.00 3.07 3.02 0.00 5.74 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 85 V 8.20 3.59 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 0.70 0.00 0.00 0.83 0.00 0.00 86 T 8.03 4.21 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 1.35 0.00 0.00 87 L 7.83 4.96 0.00 1.87 1.80 0.92 0.79 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 88 S 8.72 4.33 0.00 3.97 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 89 Q 7.54 4.59 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 90 P 0.00 4.48 0.00 1.93 2.00 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 91 K 9.19 4.48 0.00 1.81 1.64 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.44 7.81 92 I 8.37 4.87 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 1.22 0.74 0.93 0.00 0.00 93 V 8.77 4.43 2.14 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 0.92 0.00 0.00 0.96 0.00 0.00 94 K 8.74 4.76 0.00 1.74 1.80 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.48 7.81 95 W 9.43 4.59 0.00 3.26 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.56 4.50 0.00 2.62 2.45 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 97 R 7.87 3.54 0.00 1.62 0.66 0.00 2.97 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.45 0.00 98 D 8.01 5.03 0.00 2.75 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 99 M 8.04 4.36 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 * Residues marked with a * may have inaccurate shift predictions.