NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1788 8.0327 117.3002 63.4002 70.8387 172.0266 2 V 4.0936 7.8694 124.7101 61.0606 32.9588 172.7089 3 A 4.8326 9.1882 131.9114 50.6074 21.7980 174.5061 4 Y 4.9757 8.8949 119.8932 56.3663 40.3687 174.8407 5 I 5.0734 9.0216 125.5751 59.4327 40.4291 174.5703 6 A 5.0121 9.2320 128.8477 51.0073 20.8335 175.9358 7 I 4.9597 8.9887 123.2714 59.4673 40.1997 175.1207 8 G 4.5299 9.1421 113.2168 44.5918 0.0000 171.3863 9 S 4.9493 9.1697 119.2089 56.2715 66.0452 173.7920 10 N 4.8642 8.2868 121.9959 51.3046 37.4736 174.5482 11 L 4.0388 7.2735 118.0464 54.9962 42.2240 177.2734 12 A 4.2145 8.6331 124.1575 54.9390 18.4916 178.2264 13 S 4.7457 7.6332 111.1047 55.7961 63.3559 172.3568 14 P 4.3983 0.0000 0.0000 63.3990 31.7917 177.9149 15 L 3.6963 7.6045 119.5646 58.0841 41.5007 178.9207 16 E 3.9474 8.0204 118.0140 59.1684 29.4257 178.9514 17 Q 3.8717 7.8771 119.2405 59.1665 29.1659 178.3409 18 V 3.4154 7.8007 119.4715 66.0369 31.4382 177.7862 19 N 4.3917 8.3404 116.1845 56.1379 38.3435 177.2562 20 A 3.9581 8.3466 122.3866 55.0897 18.3794 179.5864 21 A 3.9443 8.2002 119.4063 55.2243 18.4707 179.8821 22 L 3.9337 8.3181 117.9900 57.7772 41.4833 179.6180 23 K 3.9279 8.0788 118.3708 59.4273 32.4505 178.3329 24 A 4.1435 8.0386 121.0201 55.2110 18.3213 179.5163 25 L 4.0692 8.2963 117.8848 57.9525 41.5252 179.8353 26 G 3.7750 8.0062 103.7342 46.6151 0.0000 174.3354 27 D 4.7217 7.6767 119.2808 53.2963 41.6830 176.7533 28 I 3.6985 7.0019 122.0844 60.4335 37.5909 174.4153 29 P 4.4195 0.0000 0.0000 63.1697 32.0295 175.0265 30 E 3.8926 8.7744 115.1172 56.9283 27.1816 174.6023 31 S 5.1045 7.7815 111.0691 57.9700 67.3185 173.0132 32 H 4.9059 8.6577 116.3399 54.5867 31.9143 172.8198 33 I 4.3425 8.3253 121.2005 61.7493 37.3066 175.7135 34 L 4.3745 8.9771 127.4077 56.9765 42.4953 176.9384 35 T 4.5794 7.4473 110.6830 60.9877 70.7860 171.8784 36 V 5.0268 8.2432 126.3935 60.9240 34.1022 175.4011 37 S 4.6320 9.0935 123.0629 57.8586 64.2146 173.7156 38 S 4.1678 9.1240 116.8694 58.6024 63.6977 174.0224 39 F 5.2200 8.1654 119.7724 57.0752 40.4872 174.7094 40 Y 5.2669 9.2416 120.7733 56.2634 41.4535 174.6767 41 R 5.5918 9.5089 124.2276 55.3708 31.3013 175.5285 42 T 4.8752 9.5523 117.4279 59.0403 72.0335 172.1544 43 P 4.7604 0.0000 0.0000 62.1599 33.6184 173.1467 44 P 4.1031 0.0000 0.0000 63.7661 29.5291 176.2908 *51 P 4.2082 0.0000 0.0000 62.7565 33.1242 176.4776 52 D 4.7668 8.2631 117.1982 54.8528 41.4430 175.1241 53 Y 4.8117 9.0838 119.3488 56.8200 40.4696 174.4397 54 L 5.0196 8.8255 125.4809 54.0709 43.7402 175.0532 55 N 5.8586 9.3033 122.8113 51.7898 42.6922 173.2679 56 A 5.3144 8.9798 122.1062 50.8830 23.5012 174.8055 57 A 5.3397 9.4777 121.1383 50.1425 22.6133 175.6329 58 V 4.8506 8.9099 120.2339 61.0261 35.0434 174.1523 59 A 4.5568 9.0657 130.3487 50.6021 20.4653 175.5309 60 L 4.8978 8.4612 125.7130 53.0407 44.7562 175.1767 61 E 4.3749 8.5927 128.7552 56.4027 30.6162 175.3781 62 T 5.0372 8.6621 120.8288 61.1533 70.5371 173.4564 63 S 4.6923 8.9408 122.5135 58.6451 63.7338 174.9336 64 L 4.3027 7.9352 120.0643 54.1339 42.1986 177.4495 65 A 4.2514 8.9081 123.1715 51.2548 20.2586 177.1896 66 P 3.5405 0.0000 0.0000 65.6099 31.4064 179.1305 67 E 3.9688 7.9259 115.2866 59.0116 29.4916 178.8141 68 E 3.9719 7.9626 119.6772 59.1773 29.5409 178.6207 69 L 4.0538 8.1996 120.6028 58.0550 42.0688 178.7331 70 L 4.0343 7.9819 121.7140 57.6514 41.9695 178.5718 71 N 4.2874 8.2624 116.3651 56.7576 38.4093 177.1129 72 H 4.1987 8.0304 117.7067 59.1113 28.3158 178.0405 73 T 3.9164 8.2609 111.8689 64.9585 68.6710 176.6392 74 Q 4.2085 8.4986 121.2570 58.5229 28.6154 178.4784 75 R 3.8928 8.1867 119.9126 59.6323 30.1617 178.7224 76 I 3.7352 8.0419 119.6909 64.3184 37.0847 178.0923 77 E 4.0091 8.3657 119.5489 59.6023 29.0701 179.5728 78 L 4.0450 7.6371 117.5335 57.7473 41.7987 179.2789 79 Q 4.1280 8.2490 117.3963 58.7926 28.9048 177.9588 80 Q 4.4370 8.4654 116.6028 55.6082 29.4030 176.2889 81 G 3.8125 7.3710 109.0279 45.5616 0.0000 173.4867 82 R 3.9872 7.9692 117.6765 57.8458 30.8510 176.8259 *92 R 3.9980 7.5253 116.1052 56.4025 30.9390 174.9159 93 T 4.0026 7.7131 120.3833 63.0460 71.7517 171.7556 94 L 4.4374 8.3310 124.8759 55.1206 43.1578 175.3863 95 D 4.9929 9.2656 124.5193 52.5663 44.5195 174.0203 96 L 5.1269 9.6086 126.6144 53.3648 43.6453 175.2365 97 D 5.0208 8.8687 124.5229 52.4118 43.4583 176.1863 98 I 4.4168 8.4685 124.3749 61.4366 37.2315 175.7361 99 M 4.4307 9.4850 128.7411 57.7916 33.0310 176.8438 100 L 5.2117 7.9789 116.6891 53.0139 46.8903 175.7458 101 F 4.6990 8.7284 123.5775 56.6544 41.2343 175.1950 102 G 3.6566 8.1872 121.9222 47.1844 0.0000 172.0781 103 N 4.8908 8.5712 121.8683 53.1130 39.1108 174.0512 104 E 4.1949 8.3433 116.2197 55.6963 30.1943 176.3422 105 V 4.4760 8.2542 121.7102 61.2722 32.9308 175.0684 106 I 4.6080 8.9234 128.3340 59.8029 39.8175 174.9962 107 N 4.8304 8.5335 121.9538 51.2598 38.9497 172.7413 108 T 4.6566 8.4892 111.5918 58.9361 72.1657 175.1883 109 E 4.0718 8.7947 120.3221 59.6306 29.3854 179.1138 110 R 4.1639 7.8310 115.5303 57.5525 30.8665 176.4578 111 L 4.5272 7.7742 118.9542 53.5523 44.8246 174.6532 112 T 4.9272 8.5960 122.6299 61.7982 70.2329 173.5029 113 V 4.5621 8.8121 126.9970 60.1944 34.6324 173.3350 114 P 5.5760 0.0000 0.0000 62.1397 32.1792 175.5876 115 H 4.4304 9.1313 121.7138 57.0208 30.0152 175.7061 116 Y 4.1932 9.0915 123.5388 59.3410 37.9286 176.2318 117 D 4.4882 7.1644 117.0481 53.0920 42.9911 176.5178 118 M 3.7629 7.7927 116.2924 59.0744 31.0216 178.6945 119 K 3.9660 7.7734 116.7988 58.3006 32.3012 177.0382 120 N 4.7764 7.9115 115.2298 52.8492 38.8888 175.0448 121 R 3.8330 7.5444 118.6134 53.2597 31.8378 176.2075 122 G 3.3884 7.4259 111.4469 47.5667 0.0000 173.7547 123 F 4.3653 7.6400 114.8214 59.1887 38.1124 176.6714 124 M 4.2413 7.1601 119.3700 57.5021 32.3499 178.3342 125 L 3.9846 7.4178 118.5804 57.2508 42.0262 179.3128 126 W 4.2311 8.1456 118.9919 59.4892 29.1809 176.9122 127 P 4.3937 0.0000 0.0000 65.2620 30.7006 178.4341 128 L 4.0017 7.7390 119.3243 58.2095 41.8140 178.8637 129 F 4.0646 8.6191 119.6001 61.1384 39.2730 176.3311 130 E 4.0674 8.2974 118.6756 58.4182 29.5734 177.8542 131 I 4.3256 7.2897 109.3663 60.6904 40.1727 175.7512 132 A 4.6341 8.0611 124.1458 49.9735 18.9730 175.0627 133 P 3.8190 0.0000 0.0000 64.6053 31.8111 177.9330 134 E 4.4518 7.8333 116.0564 55.6383 29.9458 175.6862 135 L 3.8558 7.7073 122.8639 55.0426 42.5414 175.8936 136 V 4.7447 7.8939 124.7045 60.7459 33.5665 175.3421 137 F 4.2855 9.2774 126.3712 56.5042 39.4788 174.5600 138 P 4.4792 0.0000 0.0000 65.0774 31.1220 177.3586 139 D 4.5346 8.1634 114.7002 53.6756 39.7148 177.0479 140 G 4.0237 8.3197 109.3758 45.2759 0.0000 174.1187 141 E 4.1497 8.5754 119.7795 56.5903 30.2915 175.5617 142 M 5.0351 8.3143 121.0683 53.3701 34.6756 176.8323 143 L 4.1073 8.6419 126.4982 58.4604 42.3947 179.3798 144 R 3.6478 8.1304 115.4110 59.4041 29.0727 178.4353 145 Q 3.8917 7.8432 119.5803 58.9525 29.1097 177.8474 146 I 3.5674 7.6441 120.8826 64.3242 37.2185 178.4241 147 L 3.5754 7.6398 119.7284 57.7750 41.0614 179.2751 148 H 3.9974 7.7255 115.1003 59.2726 28.7694 177.7694 149 T 3.9494 7.8937 116.4118 66.5855 67.0161 176.8515 150 R 3.6687 8.0504 119.3605 56.1131 29.7897 176.8598 151 A 3.8107 7.3433 119.7782 52.5387 16.7191 177.3813 152 F 4.6441 7.0087 117.2585 59.1594 39.3734 175.6953 153 D 4.5395 9.0335 125.5324 54.3599 41.2241 176.8008 154 K 2.5090 8.2675 122.2883 56.3444 32.5552 176.7417 155 L 4.4281 7.3715 121.6046 54.5118 43.0877 175.9740 156 N 4.9124 8.5965 117.8792 52.2498 40.4847 174.9490 157 K 4.4342 8.5542 121.8155 55.4140 33.2765 177.0107 158 W 4.3164 9.0613 132.9374 58.0854 30.5754 175.6274 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 T 8.03 4.18 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 0.70 0.00 0.00 2 V 7.87 4.09 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 0.41 0.00 0.00 0.80 0.00 0.00 3 A 9.19 4.83 1.10 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 4 Y 8.89 4.98 0.00 2.90 2.86 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 5 I 9.02 5.07 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 0.97 0.00 0.00 6 A 9.23 5.01 1.28 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 0.00 0.00 7 I 8.99 4.96 1.87 0.00 0.00 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 1.18 0.70 0.84 0.00 0.00 8 G 9.14 4.53 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 0.00 0.00 0.00 9 S 9.17 4.95 0.00 3.74 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 10 N 8.29 4.86 0.00 1.85 1.42 0.00 0.00 6.42 7.79 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 11 L 7.27 4.04 0.00 1.57 1.61 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.63 4.21 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 13 S 7.63 4.75 0.00 3.84 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 14 P 0.00 4.40 0.00 1.81 2.15 0.00 3.84 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.00 15 L 7.60 3.70 0.00 1.70 1.76 1.09 0.93 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 16 E 8.02 3.95 0.00 1.98 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 2.40 2.36 0.00 17 Q 7.88 3.87 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 18 V 7.80 3.42 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 0.40 0.00 0.00 0.65 0.00 0.00 19 N 8.34 4.39 0.00 2.91 2.87 0.00 0.00 6.92 6.92 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 20 A 8.35 3.96 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 21 A 8.20 3.94 1.37 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 0.00 0.00 22 L 8.32 3.93 0.00 1.87 1.78 1.12 0.62 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 23 K 8.08 3.93 0.00 1.76 1.97 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 24 A 8.04 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 25 L 8.30 4.07 0.00 1.87 1.74 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.01 3.78 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 0.00 0.00 0.00 27 D 7.68 4.72 0.00 2.82 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 28 I 7.00 3.70 1.91 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 0.71 0.72 0.00 0.00 29 P 0.00 4.42 0.00 2.18 2.05 0.00 3.64 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 1.98 2.01 0.00 30 E 8.77 3.89 0.00 2.18 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 2.32 2.32 0.00 31 S 7.78 5.10 0.00 3.94 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 32 H 8.66 4.91 0.00 3.19 3.32 0.00 5.45 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.33 4.34 1.88 0.00 0.00 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 1.35 0.53 0.95 0.00 0.00 34 L 8.98 4.37 0.00 1.50 1.66 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.45 4.58 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 1.27 0.00 0.00 36 V 8.24 5.03 2.12 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 1.06 0.00 0.00 0.99 0.00 0.00 37 S 9.09 4.63 0.00 4.36 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 38 S 9.12 4.17 0.00 3.29 3.44 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 39 F 8.17 5.22 0.00 2.91 2.77 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 40 Y 9.24 5.27 0.00 3.13 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 41 R 9.51 5.59 0.00 1.75 1.89 0.00 3.01 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 42 T 9.55 4.88 4.35 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 1.47 0.00 0.00 43 P 0.00 4.76 0.00 2.10 2.06 0.00 3.73 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 2.06 2.14 0.00 44 P 0.00 4.10 0.00 2.17 2.08 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.39 0.00 *51 P 0.00 4.21 0.00 2.17 2.12 0.00 3.42 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 1.84 2.09 0.00 52 D 8.26 4.77 0.00 2.83 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 53 Y 9.08 4.81 0.00 2.79 2.80 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 54 L 8.83 5.02 0.00 0.53 1.04 -0.35 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 55 N 9.30 5.86 0.00 2.94 2.84 0.00 0.00 6.25 6.68 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 56 A 8.98 5.31 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 57 A 9.48 5.34 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 58 V 8.91 4.85 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 1.00 0.00 0.00 1.01 0.00 0.00 59 A 9.07 4.56 1.13 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 0.00 0.00 60 L 8.46 4.90 0.00 1.65 1.40 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.59 4.37 0.00 1.93 1.40 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 2.21 2.19 0.00 62 T 8.66 5.04 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 1.19 0.00 0.00 63 S 8.94 4.69 0.00 3.89 3.90 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 64 L 7.94 4.30 0.00 1.78 1.69 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.91 4.25 1.28 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 0.00 0.00 66 P 0.00 3.54 0.00 1.78 1.19 0.00 3.37 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.19 0.00 67 E 7.93 3.97 0.00 2.12 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 2.32 2.30 0.00 68 E 7.96 3.97 0.00 2.24 2.09 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 2.41 2.36 0.00 69 L 8.20 4.05 0.00 1.92 1.96 0.98 0.66 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 70 L 7.98 4.03 0.00 1.79 1.84 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.26 4.29 0.00 2.90 2.80 0.00 0.00 7.05 7.54 0.00 0.00 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 H 8.03 4.20 0.00 3.35 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.26 3.92 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 1.32 0.00 0.00 74 Q 8.50 4.21 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 75 R 8.19 3.89 0.00 1.87 2.12 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 76 I 8.04 3.74 1.89 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 1.54 0.58 0.92 0.00 0.00 77 E 8.37 4.01 0.00 2.21 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 2.35 2.60 0.00 78 L 7.64 4.05 0.00 1.82 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.25 4.13 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 80 Q 8.47 4.44 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 81 G 7.37 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 0.00 0.00 0.00 82 R 7.97 3.99 0.00 1.79 1.92 0.00 3.21 0.00 0.00 3.12 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 *92 R 7.53 4.00 0.00 1.79 1.88 0.00 3.44 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 93 T 7.71 4.00 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 1.22 0.00 0.00 94 L 8.33 4.44 0.00 1.77 1.55 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 95 D 9.27 4.99 0.00 2.84 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 96 L 9.61 5.13 0.00 1.52 1.63 1.00 1.03 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 97 D 8.87 5.02 0.00 2.65 2.67 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 98 I 8.47 4.42 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.56 1.09 0.00 0.00 99 M 9.49 4.43 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 100 L 7.98 5.21 0.00 1.78 1.60 0.61 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.73 4.70 0.00 3.03 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 0.00 102 G 8.19 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.57 4.89 0.00 2.81 2.78 0.00 0.00 6.95 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 0.00 104 E 8.34 4.19 0.00 2.33 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 2.44 2.40 0.00 105 V 8.25 4.48 2.12 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 0.85 0.00 0.00 0.98 0.00 0.00 106 I 8.92 4.61 1.86 0.00 0.00 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 1.25 0.66 0.86 0.00 0.00 107 N 8.53 4.83 0.00 2.64 2.69 0.00 0.00 6.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.49 4.66 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 1.18 0.00 0.00 109 E 8.79 4.07 0.00 1.94 2.05 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 2.30 2.39 0.00 110 R 7.83 4.16 0.00 1.77 1.96 0.00 3.15 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 111 L 7.77 4.53 0.00 1.66 1.41 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.60 4.93 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 1.33 0.00 0.00 113 V 8.81 4.56 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 1.10 0.00 0.00 0.99 0.00 0.00 114 P 0.00 5.58 0.00 2.11 2.24 0.00 3.90 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 115 H 9.13 4.43 0.00 3.48 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 9.09 4.19 0.00 3.12 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 0.00 117 D 7.16 4.49 0.00 1.58 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 0.00 118 M 7.79 3.76 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.79 0.00 119 K 7.77 3.97 0.00 1.57 1.69 0.00 1.39 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.74 1.06 7.81 120 N 7.91 4.78 0.00 2.86 2.77 0.00 0.00 6.74 8.24 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 0.00 121 R 7.54 3.83 0.00 1.16 0.66 0.00 2.73 0.00 0.00 2.48 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.28 0.00 122 G 7.43 3.39 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 0.00 123 F 7.64 4.37 0.00 3.23 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 0.00 124 M 7.16 4.24 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.53 0.00 125 L 7.42 3.98 0.00 1.42 1.49 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 126 W 8.15 4.23 0.00 3.38 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 0.00 127 P 0.00 4.39 0.00 2.29 2.37 0.00 3.73 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 2.34 1.82 0.00 128 L 7.74 4.00 0.00 1.79 1.86 0.36 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.62 4.06 0.00 2.87 3.29 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 0.00 130 E 8.30 4.07 0.00 2.29 2.35 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 2.40 2.43 0.00 131 I 7.29 4.33 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.87 1.00 0.00 0.00 132 A 8.06 4.63 0.98 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 0.00 133 P 0.00 3.82 0.00 1.91 1.37 0.00 3.61 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 134 E 7.83 4.45 0.00 1.94 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 2.21 2.21 0.00 135 L 7.71 3.86 0.00 1.65 1.30 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.89 4.74 2.06 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 0.99 0.00 0.00 0.97 0.00 0.00 137 F 9.28 4.29 0.00 3.32 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 0.00 138 P 0.00 4.48 0.00 2.13 2.32 0.00 3.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 139 D 8.16 4.53 0.00 2.79 2.80 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 0.00 140 G 8.32 4.02 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 0.00 0.00 0.00 141 E 8.58 4.15 0.00 2.10 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 2.27 2.47 0.00 142 M 8.31 5.04 0.00 2.07 1.98 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 2.62 2.59 0.00 143 L 8.64 4.11 0.00 1.78 1.80 0.96 0.65 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 0.00 144 R 8.13 3.65 0.00 2.11 2.32 0.00 3.05 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 145 Q 7.84 3.89 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 146 I 7.64 3.57 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.76 0.00 0.00 147 L 7.64 3.58 0.00 1.28 0.98 -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 148 H 7.73 4.00 0.00 3.26 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.89 3.95 4.18 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 0.00 0.00 0.00 1.09 0.00 0.00 150 R 8.05 3.67 0.00 0.67 0.66 0.00 3.19 0.00 0.00 3.00 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.35 0.00 151 A 7.34 3.81 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 0.00 152 F 7.01 4.64 0.00 3.14 3.11 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 0.00 0.00 0.00 0.00 153 D 9.03 4.54 0.00 2.74 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 0.00 154 K 8.27 2.51 0.00 1.40 1.32 0.00 1.51 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.39 7.81 155 L 7.37 4.43 0.00 1.57 1.74 0.77 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.60 4.91 0.00 2.67 2.73 0.00 0.00 6.87 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 0.00 157 K 8.55 4.43 0.00 1.60 1.69 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.14 1.00 7.81 158 W 9.06 4.32 0.00 3.51 3.15 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 * Residues marked with a * may have inaccurate shift predictions.