NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.9906 8.2133 109.7407 44.5049 0.0000 174.1552 -2 P 4.1772 0.0000 0.0000 64.5895 31.6208 176.3945 -1 L 4.2318 8.4820 120.3868 56.7770 44.2910 178.7855 0 G 3.8269 7.4948 104.8546 47.2479 0.0000 173.7869 1 S 4.7743 9.0445 119.8394 57.5408 64.2619 172.4642 2 W 4.8860 8.2408 120.2568 56.9505 29.7137 176.2021 3 V 4.4509 9.3837 123.3834 61.3697 34.0165 174.3895 4 I 4.6886 8.1917 128.1305 59.2565 40.5871 173.8178 5 P 4.5251 0.0000 0.0000 60.9629 32.2772 174.4164 6 P 4.3187 0.0000 0.0000 62.8010 31.9085 176.0135 7 I 4.6448 8.1698 122.0785 59.5397 39.7310 174.6867 8 S 4.9504 8.6022 120.7765 56.8171 66.4727 173.0523 9 C 4.8173 9.2060 122.1167 57.0466 34.5445 171.4911 10 P 4.9489 0.0000 0.0000 62.1703 31.5916 176.1252 11 E 4.2894 9.7299 122.3528 55.7211 31.6565 175.7189 12 N 4.3729 8.8149 114.7978 54.1372 36.8367 175.1501 13 E 4.1645 7.6335 113.2678 56.3840 30.2274 176.7519 14 K 4.7692 8.1630 120.4366 55.5217 36.3178 176.9521 15 G 3.7667 8.5392 105.4503 45.9084 0.0000 172.6521 16 E 4.3894 8.3195 120.2674 55.4332 31.0814 175.7083 17 F 5.0262 8.3594 119.0843 54.8421 42.5093 173.1418 18 P 5.0039 0.0000 0.0000 62.8080 32.7543 175.3728 19 K 4.6139 8.8562 119.6479 54.4116 35.1585 175.5603 20 N 4.5565 8.7541 122.4525 53.7684 38.6301 174.2146 21 L 4.5308 9.4121 125.2393 56.0427 42.0234 177.0640 22 V 4.6704 7.4927 109.4002 60.1872 36.9448 172.6660 23 Q 4.0626 7.9781 123.2125 54.5025 29.8326 174.6781 24 I 4.3223 8.0906 127.4744 59.9817 39.5778 174.6573 25 K 4.4354 8.5947 125.5440 55.0944 36.4646 174.2964 26 S 5.0889 9.3273 121.1738 56.4102 64.6593 174.3659 27 N 4.6489 9.2065 123.6907 54.4227 38.4278 177.0564 28 R 4.0403 7.7398 120.5246 57.8911 29.8868 177.8705 29 D 5.2477 7.5791 119.6325 55.1673 39.4694 178.2182 30 K 4.0839 7.6513 120.4820 58.7219 32.1035 177.4156 31 E 4.4277 7.9679 114.7059 56.9397 31.1719 175.4224 32 T 4.5757 7.4931 112.3211 60.0220 70.7760 172.5929 33 K 4.0465 8.5018 125.3689 56.2986 32.5342 176.0617 34 V 4.2143 7.6563 123.6226 60.8559 33.6325 174.5220 35 F 4.9481 8.8329 126.1996 55.9204 41.9104 173.7534 36 Y 5.9791 9.5694 121.9708 56.0328 40.2289 175.0299 37 S 5.2328 8.8442 116.4785 56.9129 67.1106 172.4560 38 I 5.3896 8.5090 113.7932 59.4667 40.1405 174.5282 39 T 4.8362 9.4108 114.0325 60.4201 72.8396 172.1165 40 G 4.3354 9.6067 108.4757 43.4308 0.0000 173.2289 41 Q 4.4597 8.5004 119.1125 58.0351 28.6861 176.6094 42 G 4.7649 9.2755 111.9937 44.6344 0.0000 173.8874 43 A 4.7912 8.8434 120.8861 51.3289 20.2024 176.8674 44 D 4.7692 8.8619 120.6808 52.2118 41.4872 177.2616 45 K 4.7922 7.5717 119.2224 53.5778 36.1610 173.5881 46 P 4.6999 0.0000 0.0000 62.7708 32.1436 174.2010 47 P 4.4860 0.0000 0.0000 62.6847 32.1035 176.1206 48 V 4.2040 8.5359 118.4877 61.7265 32.9772 177.1692 49 G 4.2166 9.0487 112.1538 46.1195 0.0000 174.8548 50 V 3.4671 7.3516 121.8039 64.8634 32.6557 175.9752 51 F 5.4455 8.5969 119.0969 55.5061 42.1219 174.8230 52 I 4.9912 8.8328 114.9291 59.2610 41.3108 173.8103 53 I 5.1826 8.2575 122.4078 59.0878 41.3856 174.5701 54 E 4.1985 9.2802 128.5663 56.2551 29.8773 177.7564 55 R 4.7938 9.1163 125.0939 58.6770 30.3847 177.8401 56 E 4.4503 8.4154 115.3204 57.5515 30.3283 176.8636 57 T 4.3245 8.1446 106.6784 60.8796 70.2737 175.6968 58 G 3.4566 8.4811 109.7378 45.5836 0.0000 172.7567 59 W 4.5019 7.7222 120.4521 56.6069 30.1527 174.9450 60 L 4.9814 9.1718 128.8421 54.1031 43.0527 175.6204 61 K 5.3925 9.5434 125.4235 54.6238 36.7608 175.2501 62 V 4.8699 8.7324 121.7352 60.4725 33.6027 176.2679 63 T 4.6266 8.2487 112.7672 61.8822 69.7117 173.8861 64 Q 2.9933 7.0190 118.1006 53.8441 30.9576 171.8448 65 P 4.5178 0.0000 0.0000 62.9016 32.0929 175.9576 66 L 4.7886 8.4849 121.5786 53.3316 45.5166 175.3284 67 D 4.8252 8.4067 119.1896 52.8046 43.0740 175.4115 68 R 4.2355 9.0578 127.2317 58.7332 30.3573 177.7077 69 E 4.0353 8.4155 115.8186 59.3503 29.7014 178.2059 70 A 4.1159 7.8623 120.2978 54.2213 18.9800 177.4835 71 I 4.3267 8.2329 118.0501 59.6708 40.3103 175.9956 72 A 4.2673 8.4685 127.7429 53.5339 20.1566 176.7419 73 K 5.0063 7.5876 115.3197 55.2224 35.5458 175.0409 74 Y 4.7544 9.4264 124.9287 56.2297 41.0538 174.6505 75 I 4.7446 8.5387 124.5051 59.8544 38.8860 174.7366 76 L 5.1189 8.9427 126.8425 52.9581 46.0873 175.2060 77 Y 4.9009 8.8556 117.2920 56.2812 41.3879 175.3873 78 S 4.9548 8.6637 119.6770 58.0587 65.1202 172.9992 79 H 5.6128 9.7653 118.8080 54.2765 33.1566 172.5038 80 A 4.9582 8.7188 121.7605 50.6768 22.1782 175.4962 81 V 4.8654 8.7768 115.3898 59.7206 36.5335 175.7671 82 S 5.1405 8.5941 117.1022 56.2083 63.6916 175.0038 83 S 4.1716 8.8625 117.6325 61.8188 62.4407 176.0177 84 N 4.4063 8.0703 115.5744 54.4266 38.5578 175.9864 85 G 3.9942 8.2653 106.8118 44.9190 0.0000 173.5677 86 N 4.4695 7.9128 117.8807 52.3815 39.3125 174.2974 87 A 4.4959 8.5371 126.2738 52.6273 18.8037 177.7178 88 V 4.0309 8.3881 116.4130 61.8510 32.3758 175.9450 89 E 4.6367 7.4513 117.5652 54.2754 33.3887 174.3721 90 D 4.7088 8.6499 120.7924 53.1024 41.7206 174.8018 91 P 4.6035 0.0000 0.0000 63.8783 32.0443 175.0712 92 M 4.2846 8.2399 124.2815 53.8252 33.7554 174.6624 93 E 3.1734 8.4910 127.6743 55.8928 30.6399 175.5219 94 I 4.2445 8.4541 128.2344 59.3453 39.9293 174.5466 95 V 4.6209 8.2025 126.6037 61.1841 33.4503 174.5681 96 I 4.4637 8.6889 129.7321 60.0588 38.9665 174.8207 97 T 4.8111 8.2681 124.9895 62.4626 70.2835 174.1457 98 V 4.8352 8.8171 126.9689 61.9385 32.5109 175.0412 99 T 4.7687 8.7866 118.1034 59.7583 72.3148 172.5228 100 D 4.5973 8.5035 120.5164 53.5963 42.0391 177.1019 *101 A 4.0850 8.4137 123.6073 52.5609 18.9288 176.5475 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 8.21 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 0.00 0.00 0.00 -2 P 0.00 4.18 0.00 2.18 2.21 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 -1 L 8.48 4.23 0.00 1.78 1.72 1.05 1.11 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 0 G 7.49 3.83 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 0.00 0.00 0.00 1 S 9.04 4.77 0.00 3.76 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 2 W 8.24 4.89 0.00 3.31 3.04 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 3 V 9.38 4.45 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 0.97 0.00 0.00 0.95 0.00 0.00 4 I 8.19 4.69 1.75 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.77 0.74 0.00 0.00 5 P 0.00 4.53 0.00 2.00 1.94 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 6 P 0.00 4.32 0.00 2.01 1.95 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 7 I 8.17 4.64 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.90 0.82 0.00 0.00 8 S 8.60 4.95 0.00 3.82 3.77 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 0.00 0.00 0.00 0.00 9 C 9.21 4.82 0.00 3.08 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 10 P 0.00 4.95 0.00 2.02 2.00 0.00 3.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 11 E 9.73 4.29 0.00 2.26 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 0.00 2.54 2.33 0.00 12 N 8.81 4.37 0.00 2.89 2.96 0.00 0.00 7.00 8.29 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 13 E 7.63 4.16 0.00 2.29 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 2.38 2.53 0.00 14 K 8.16 4.77 0.00 1.82 1.83 0.00 1.50 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.43 7.81 15 G 8.54 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.32 4.39 0.00 2.04 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 2.12 2.16 0.00 17 F 8.36 5.03 0.00 2.89 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 18 P 0.00 5.00 0.00 2.11 2.17 0.00 3.47 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 19 K 8.86 4.61 0.00 1.71 1.65 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.07 0.95 7.81 20 N 8.75 4.56 0.00 2.46 2.74 0.00 0.00 7.02 7.85 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 21 L 9.41 4.53 0.00 1.70 1.70 1.13 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.49 4.67 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 0.71 0.00 0.00 0.85 0.00 0.00 23 Q 7.98 4.06 0.00 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.78 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 24 I 8.09 4.32 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.48 0.91 0.00 0.00 25 K 8.59 4.44 0.00 1.56 1.53 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.34 7.81 26 S 9.33 5.09 0.00 3.23 3.48 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 27 N 9.21 4.65 0.00 2.70 2.79 0.00 0.00 6.68 7.33 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 28 R 7.74 4.04 0.00 1.66 1.83 0.00 3.25 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 29 D 7.58 5.25 0.00 2.78 2.73 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 30 K 7.65 4.08 0.00 1.66 1.89 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.56 7.81 31 E 7.97 4.43 0.00 2.03 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 2.27 2.17 0.00 32 T 7.49 4.58 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 1.20 0.00 0.00 33 K 8.50 4.05 0.00 1.79 1.28 0.00 1.46 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.38 7.81 34 V 7.66 4.21 1.68 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 -0.04 0.00 0.00 0.75 0.00 0.00 35 F 8.83 4.95 0.00 2.89 2.89 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 0.00 0.00 0.00 0.00 36 Y 9.57 5.98 0.00 2.98 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 37 S 8.84 5.23 0.00 3.93 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 38 I 8.51 5.39 1.93 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 1.50 0.83 0.94 0.00 0.00 39 T 9.41 4.84 4.33 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 1.28 0.00 0.00 40 G 9.61 4.34 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 0.00 41 Q 8.50 4.46 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.99 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 42 G 9.28 4.76 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 43 A 8.84 4.79 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 44 D 8.86 4.77 0.00 2.83 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 45 K 7.57 4.79 0.00 1.87 1.75 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 46 P 0.00 4.70 0.00 1.96 2.04 0.00 3.71 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 2.05 2.13 0.00 47 P 0.00 4.49 0.00 2.14 2.24 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 48 V 8.54 4.20 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 0.78 0.00 0.00 0.94 0.00 0.00 49 G 9.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.35 3.47 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 0.04 0.00 0.00 0.81 0.00 0.00 51 F 8.60 5.45 0.00 2.92 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 52 I 8.83 4.99 1.94 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 1.16 1.30 0.94 0.00 0.00 53 I 8.26 5.18 1.95 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 1.43 1.06 1.09 0.00 0.00 54 E 9.28 4.20 0.00 2.14 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 2.44 2.39 0.00 55 R 9.12 4.79 0.00 1.98 2.13 0.00 3.24 0.00 0.00 3.36 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 56 E 8.42 4.45 0.00 2.13 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 0.00 2.60 2.52 0.00 57 T 8.14 4.32 4.47 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 1.41 0.00 0.00 58 G 8.48 3.46 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 59 W 7.72 4.50 0.00 3.39 3.19 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 60 L 9.17 4.98 0.00 1.74 1.73 0.98 0.21 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 61 K 9.54 5.39 0.00 1.75 1.78 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.49 7.81 62 V 8.73 4.87 2.25 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 0.97 0.00 0.00 0.60 0.00 0.00 63 T 8.25 4.63 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 1.21 0.00 0.00 64 Q 7.02 2.99 0.00 1.70 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.02 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 65 P 0.00 4.52 0.00 1.92 2.09 0.00 3.32 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.39 0.00 66 L 8.48 4.79 0.00 1.68 1.71 1.15 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.41 4.83 0.00 2.76 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 68 R 9.06 4.24 0.00 1.86 1.99 0.00 3.37 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 69 E 8.42 4.04 0.00 2.14 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 2.32 2.33 0.00 70 A 7.86 4.12 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 71 I 8.23 4.33 1.68 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 1.10 0.73 0.07 0.00 0.00 72 A 8.47 4.27 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 73 K 7.59 5.01 0.00 1.66 1.55 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.45 7.81 74 Y 9.43 4.75 0.00 2.76 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 75 I 8.54 4.74 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.86 0.00 0.00 76 L 8.94 5.12 0.00 1.37 1.62 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.86 4.90 0.00 2.94 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 78 S 8.66 4.95 0.00 3.72 3.68 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 79 H 9.77 5.61 0.00 3.18 3.34 0.00 5.56 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 80 A 8.72 4.96 0.88 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 81 V 8.78 4.87 2.11 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 0.74 0.00 0.00 1.08 0.00 0.00 82 S 8.59 5.14 0.00 3.83 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 83 S 8.86 4.17 0.00 3.98 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 84 N 8.07 4.41 0.00 2.72 2.87 0.00 0.00 7.19 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 85 G 8.27 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 0.00 0.00 0.00 86 N 7.91 4.47 0.00 2.84 2.75 0.00 0.00 7.01 7.14 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 87 A 8.54 4.50 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 88 V 8.39 4.03 1.94 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 0.64 0.00 0.00 0.75 0.00 0.00 89 E 7.45 4.64 0.00 1.65 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.47 0.00 90 D 8.65 4.71 0.00 2.83 2.73 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 91 P 0.00 4.60 0.00 2.04 2.03 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 92 M 8.24 4.28 0.00 0.90 0.85 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 93 E 8.49 3.17 0.00 1.40 1.52 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 1.88 1.50 0.00 94 I 8.45 4.24 1.59 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.09 0.69 0.00 0.00 95 V 8.20 4.62 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 0.77 0.00 0.00 0.92 0.00 0.00 96 I 8.69 4.46 1.60 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.11 0.71 0.00 0.00 97 T 8.27 4.81 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 98 V 8.82 4.84 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 0.96 0.00 0.00 1.25 0.00 0.00 99 T 8.79 4.77 4.26 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 1.23 0.00 0.00 100 D 8.50 4.60 0.00 2.60 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 *101 A 8.41 4.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.