NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4589 8.1233 122.4674 51.9191 20.8775 174.8869 2 E 4.6877 8.4771 116.6995 53.9583 33.2949 170.5063 3 V 4.1888 9.4335 126.9203 61.6049 32.7873 175.4614 4 A 4.2333 8.6930 129.9377 51.3379 19.4994 176.0849 5 P 3.7904 0.0000 0.0000 65.7266 31.4074 178.8933 6 G 3.7253 7.9285 103.9931 47.1564 0.0000 173.5298 7 D 4.7836 8.0922 118.8404 53.7995 41.4577 176.6641 8 V 3.7077 7.3024 119.4919 62.5127 32.0247 175.0779 9 A 4.5108 8.5073 130.0405 50.9241 19.5221 176.3444 10 I 4.6627 8.1533 123.9603 59.5234 40.0492 175.9268 11 D 4.7058 8.6863 125.3977 52.3701 41.2960 176.8317 12 G 3.6767 8.5442 106.5927 47.8581 0.0000 174.1885 13 Q 4.2366 8.7359 118.1019 55.3503 29.4290 176.5765 14 G 3.9037 8.0880 107.3944 45.6114 0.0000 173.1945 15 H 4.7153 8.0886 117.3646 55.2106 29.5045 174.6099 16 V 4.4366 8.6178 123.4973 60.9565 32.3324 175.9205 17 A 4.0342 8.6059 131.3485 54.5221 18.7626 177.8725 18 R 4.3601 7.6660 113.8977 54.4395 31.2298 174.8143 19 P 4.5870 0.0000 0.0000 62.7381 32.0902 176.4125 20 L 4.2929 8.7322 119.6883 56.9699 42.5946 176.8087 21 T 5.2093 7.6740 111.5579 60.3464 70.5537 173.2217 22 D 4.8356 8.4089 123.8924 53.1676 40.3965 176.7508 23 A 4.1126 7.9018 123.5256 51.3383 19.0242 175.6804 24 P 4.3444 0.0000 0.0000 62.3559 32.0341 176.4166 25 G 3.5591 8.4704 110.2640 45.3663 0.0000 173.3467 26 D 4.5818 9.1987 125.9133 52.8437 41.4141 175.0640 27 P 4.5036 0.0000 0.0000 65.3606 30.9726 178.9832 28 V 3.5838 7.9350 117.2789 66.0480 31.6555 177.8211 29 E 3.7823 8.5244 118.6393 58.8639 29.5055 178.7543 30 G 3.5693 8.0835 106.2360 47.5202 0.0000 175.3525 31 R 3.0115 6.8977 119.9680 58.9717 30.2903 178.2123 32 R 3.9311 7.2715 117.6878 59.5379 30.1500 178.5670 33 L 4.0517 7.7009 117.9782 57.7243 41.5368 179.1687 34 M 4.1780 7.7075 117.2633 57.2974 31.7193 177.7896 35 T 4.2433 7.4628 107.2667 61.9494 70.1381 174.3457 36 D 4.5062 7.8756 123.2381 53.3945 41.4525 176.6452 37 R 4.0810 8.6330 127.6617 59.3362 30.3404 177.4719 38 S 4.5648 8.3367 111.6765 59.8176 64.1960 174.6110 39 V 4.0194 8.1182 116.3880 63.0749 31.3228 176.6670 40 G 3.4217 5.4653 104.9649 47.2422 0.0000 174.0105 41 N 4.2133 8.4964 117.9215 54.4730 38.3620 176.0113 42 C 4.4784 8.1775 116.3998 62.6332 28.9421 176.5936 43 I 3.9362 8.2511 112.0341 63.1269 37.3050 177.6308 44 A 4.1679 7.6333 123.7545 54.6331 18.5249 178.2404 45 C 4.8356 8.3571 111.3880 59.6199 31.8282 173.9308 46 H 5.2852 8.0930 115.3779 53.6466 32.1606 172.4949 47 E 4.2585 8.8081 123.8136 55.6772 31.0015 175.5277 48 V 4.6522 8.2671 125.3345 61.0408 33.0234 175.5726 49 T 3.8730 9.2505 123.7675 64.7002 67.5079 175.1791 50 E 4.1397 8.1991 121.4545 59.3126 30.0600 177.5190 51 M 4.0464 8.0083 117.2057 57.5385 32.0915 176.5160 52 A 3.4074 7.7293 115.2478 52.9317 15.3325 173.5019 *55 Q 3.7677 7.8945 117.5050 56.2608 30.1798 175.2418 56 F 3.7318 8.2941 126.0848 57.9269 35.7840 173.7967 57 P 4.6278 0.0000 0.0000 62.2897 32.4894 177.1501 58 G 4.3956 9.2202 109.7656 45.3150 0.0000 173.4813 59 T 4.5856 8.0874 105.9508 61.1032 69.5744 175.3733 60 V 3.6222 8.1026 122.7715 66.2807 31.7141 176.5598 61 G 3.9477 7.5675 105.4765 44.3586 0.0000 171.5913 62 P 4.6749 0.0000 0.0000 61.9491 32.4901 176.0081 63 S 4.3505 8.6568 115.4650 59.2597 62.6557 174.0990 64 L 4.4038 9.4577 125.5144 54.4736 42.1591 176.2810 65 D 4.4396 7.4893 118.7046 56.1230 41.4091 176.8891 66 G 4.2465 8.9411 110.6317 45.6442 0.0000 175.8229 67 V 3.4326 7.7145 122.7154 64.2974 31.0202 177.9888 68 A 3.9518 7.9060 119.9642 54.7359 18.2718 178.8611 69 A 4.0819 7.6263 118.6681 54.3514 18.5868 179.0938 70 R 4.1838 7.6914 112.7635 56.1995 30.8614 176.1566 71 Y 5.1202 7.2637 116.0244 54.9355 40.9967 174.4109 72 P 4.4631 0.0000 0.0000 62.3274 33.4682 177.2567 73 E 3.9241 8.8200 120.5025 59.6972 29.4473 179.2619 74 A 4.3869 7.8783 121.4528 54.6752 18.4221 179.1667 75 M 3.5335 7.6520 116.4116 58.4569 32.2694 178.2900 76 I 3.6984 7.7348 119.9753 64.3946 37.2736 178.3095 77 R 3.9715 8.4000 120.0054 59.4076 29.9219 178.6040 78 G 4.2136 7.9418 106.2689 47.5043 0.0000 175.4415 79 I 3.7890 7.6783 121.0776 63.9427 37.3857 178.0124 80 L 4.4374 7.7080 119.7557 56.9736 41.6782 179.4887 81 V 4.0883 8.2694 118.9176 64.7445 32.2258 175.2706 82 N 5.0998 8.2858 117.4613 51.3503 40.4777 174.1895 83 S 4.2864 8.6395 121.1425 61.3356 62.3801 176.5735 84 K 3.7618 8.1919 121.5398 59.1574 31.4832 178.9511 85 N 4.3889 8.2081 116.5217 55.5010 38.4264 176.6098 86 V 4.0418 7.3625 117.6788 62.8453 33.2407 175.3406 87 F 4.8522 8.5524 120.0994 54.4002 39.6472 172.2583 88 P 4.6129 0.0000 0.0000 63.2103 31.6590 176.8371 89 E 3.8053 9.0158 119.7994 56.8479 27.2368 174.5831 90 T 3.9831 7.5518 113.1535 62.6653 67.7051 174.4980 91 V 3.8338 8.2197 119.1884 62.9718 32.1535 176.4098 92 M 4.0955 7.7127 120.1475 54.9053 32.2533 174.2283 93 P 4.1233 0.0000 0.0000 62.7733 32.0269 175.5799 94 A 4.4880 8.1281 123.2840 51.2635 19.3558 177.0899 95 Y 4.4868 8.3079 119.4129 59.7455 38.4905 176.2901 96 Y 4.8375 8.2274 120.6199 57.2459 39.6266 174.7157 97 R 4.6496 8.2174 115.8584 54.4371 31.9645 176.5399 98 V 4.6921 8.0342 112.7217 60.5454 33.2546 174.8168 99 E 4.5764 7.9608 116.0146 56.5714 31.5589 174.9311 100 G 3.5737 8.7786 106.6013 45.8681 0.0000 173.5455 101 F 4.6309 7.5404 118.1928 55.7598 40.7217 174.7753 102 N 4.7228 8.1348 118.7666 52.8425 40.4272 174.0309 103 R 3.8578 8.7521 127.3503 56.5477 27.2885 175.2148 104 P 4.3349 0.0000 0.0000 62.9243 32.8869 176.2114 105 G 4.0874 8.1993 107.9448 44.1663 0.0000 172.2579 106 I 3.9369 8.9217 121.1699 60.2087 37.6215 176.9943 107 A 3.1495 8.3208 132.8110 53.4311 18.1357 177.3109 108 F 4.9107 8.6016 112.7083 59.9344 39.2890 176.2661 109 T 4.2236 7.8726 110.3113 61.3290 69.2133 175.6256 110 S 3.8060 8.0108 116.3587 59.0110 61.2184 171.0660 111 K 4.5599 7.5174 121.1125 54.4275 33.4781 174.6117 112 P 4.7685 0.0000 0.0000 62.7275 32.0828 176.1277 113 I 3.9024 8.0444 126.0631 62.0315 37.6094 176.0189 114 E 4.5422 9.0057 122.6808 55.1306 32.7590 173.7133 115 G 3.8802 8.6851 110.9697 43.3459 0.0000 172.5985 116 E 4.1547 8.2819 117.4937 56.1302 30.1402 176.4716 117 I 4.1163 8.0826 122.8960 60.5366 37.9731 176.0788 118 R 4.3018 8.3229 124.9988 54.4219 31.0212 174.7876 119 P 4.6755 0.0000 0.0000 62.4512 32.0330 176.4437 120 L 4.1785 8.6313 119.3902 57.4630 41.8001 177.7865 121 M 5.0893 8.0658 116.2709 52.7755 35.5766 175.8874 122 T 4.3887 8.8025 112.7701 61.1367 71.0990 175.7039 123 A 3.6880 8.6762 122.7256 55.2485 18.2809 180.0575 124 G 3.5501 8.0456 103.6586 48.0730 0.0000 175.7568 125 Q 3.9901 8.2019 120.4480 58.7024 28.6897 178.9429 126 I 3.6581 7.8573 120.8745 64.4867 37.0739 178.4189 127 E 3.9728 8.3151 119.4814 59.2405 29.3273 179.0609 128 D 4.5183 8.3171 119.3052 57.5185 40.8596 179.1576 129 V 3.6499 7.8107 118.5846 65.8433 31.5336 178.0238 130 V 3.5471 8.4402 118.1892 66.0567 31.1013 177.6459 131 A 3.9814 7.9477 119.1385 55.5404 18.4429 178.7094 132 Y 4.1768 7.9507 117.3755 60.8774 38.9792 178.1465 133 L 3.8161 8.2532 120.0159 57.7808 41.4593 179.1497 134 M 4.1971 7.8501 117.7474 57.4847 31.9381 177.8455 135 T 4.2142 7.2649 108.3596 62.1743 71.1224 175.6315 136 L 4.2089 7.2742 124.6095 53.5345 40.1599 177.0424 137 T 4.1255 7.5316 111.6186 61.4970 68.9153 175.4514 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 8.12 4.46 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 2 E 8.48 4.69 0.00 1.92 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 2.23 2.40 0.00 3 V 9.43 4.19 2.16 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 0.80 0.00 0.00 1.02 0.00 0.00 4 A 8.69 4.23 1.26 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 0.00 0.00 5 P 0.00 3.79 0.00 1.91 1.81 0.00 3.43 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 1.70 0.57 0.00 6 G 7.93 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 7 D 8.09 4.78 0.00 2.79 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 8 V 7.30 3.71 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 0.81 0.00 0.00 1.22 0.00 0.00 9 A 8.51 4.51 1.26 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 0.00 0.00 10 I 8.15 4.66 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 1.50 0.75 0.94 0.00 0.00 11 D 8.69 4.71 0.00 2.87 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 12 G 8.54 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 0.00 0.00 0.00 13 Q 8.74 4.24 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 14 G 8.09 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 0.00 0.00 0.00 15 H 8.09 4.72 0.00 3.64 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.62 4.44 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 1.10 0.00 0.00 0.95 0.00 0.00 17 A 8.61 4.03 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 18 R 7.67 4.36 0.00 1.82 1.87 0.00 3.39 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 19 P 0.00 4.59 0.00 2.20 2.12 0.00 3.66 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 2.02 2.10 0.00 20 L 8.73 4.29 0.00 1.43 1.52 0.03 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.67 5.21 4.23 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 1.25 0.00 0.00 22 D 8.41 4.84 0.00 2.68 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 23 A 7.90 4.11 1.26 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 0.00 0.00 24 P 0.00 4.34 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 25 G 8.47 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.20 4.58 0.00 2.80 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 27 P 0.00 4.50 0.00 2.28 2.18 0.00 3.68 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 28 V 7.93 3.58 2.22 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 0.98 0.00 0.00 0.95 0.00 0.00 29 E 8.52 3.78 0.00 2.17 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 2.54 2.40 0.00 30 G 8.08 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.90 3.01 0.00 1.08 1.84 0.00 3.18 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.12 0.00 32 R 7.27 3.93 0.00 1.77 2.04 0.00 3.13 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 33 L 7.70 4.05 0.00 1.71 1.67 0.94 0.76 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 34 M 7.71 4.18 0.00 2.10 2.17 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 2.76 2.51 0.00 35 T 7.46 4.24 4.23 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 1.18 0.00 0.00 36 D 7.88 4.51 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.63 4.08 0.00 1.78 1.91 0.00 3.08 0.00 0.00 2.98 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 38 S 8.34 4.56 0.00 4.01 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 39 V 8.12 4.02 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 0.89 0.00 0.00 1.02 0.00 0.00 40 G 5.47 3.42 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 0.00 41 N 8.50 4.21 0.00 3.22 2.95 0.00 0.00 7.24 8.51 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 42 C 8.18 4.48 0.00 3.17 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 43 I 8.25 3.94 1.91 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 1.32 1.31 0.95 0.00 0.00 44 A 7.63 4.17 1.48 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 0.00 0.00 45 C 8.36 4.84 0.00 2.87 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 46 H 8.09 5.29 0.00 3.24 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.81 4.26 0.00 2.07 1.83 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 2.37 2.31 0.00 48 V 8.27 4.65 2.16 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 1.10 0.00 0.00 1.02 0.00 0.00 49 T 9.25 3.87 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 1.31 0.00 0.00 50 E 8.20 4.14 0.00 1.99 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 2.32 2.29 0.00 51 M 8.01 4.05 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 52 A 7.73 3.41 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 *55 Q 7.89 3.77 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 56 F 8.29 3.73 0.00 3.25 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 57 P 0.00 4.63 0.00 2.27 2.08 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 1.99 1.96 0.00 58 G 9.22 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 0.00 0.00 0.00 0.00 59 T 8.09 4.59 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 1.23 0.00 0.00 60 V 8.10 3.62 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 0.78 0.00 0.00 0.93 0.00 0.00 61 G 7.57 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.67 0.00 2.11 2.06 0.00 3.86 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 63 S 8.66 4.35 0.00 4.05 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 64 L 9.46 4.40 0.00 1.70 1.64 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.49 4.44 0.00 2.64 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 66 G 8.94 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 0.00 0.00 0.00 0.00 67 V 7.71 3.43 2.15 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 0.74 0.00 0.00 0.98 0.00 0.00 68 A 7.91 3.95 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 69 A 7.63 4.08 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 70 R 7.69 4.18 0.00 1.67 1.84 0.00 2.58 0.00 0.00 2.96 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 71 Y 7.26 5.12 0.00 3.04 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 72 P 0.00 4.46 0.00 2.15 2.00 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 73 E 8.82 3.92 0.00 2.03 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 2.37 2.38 0.00 74 A 7.88 4.39 1.33 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 0.00 0.00 75 M 7.65 3.53 0.00 2.01 1.64 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 76 I 7.73 3.70 2.02 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 1.55 0.96 0.94 0.00 0.00 77 R 8.40 3.97 0.00 1.82 1.90 0.00 3.31 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 78 G 7.94 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 79 I 7.68 3.79 2.09 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 1.41 0.52 1.14 0.00 0.00 80 L 7.71 4.44 0.00 1.82 1.75 0.90 0.67 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 81 V 8.27 4.09 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 1.14 0.00 0.00 1.03 0.00 0.00 82 N 8.29 5.10 0.00 2.77 2.66 0.00 0.00 7.01 7.22 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 83 S 8.64 4.29 0.00 4.34 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 0.00 84 K 8.19 3.76 0.00 2.06 1.91 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.48 1.57 7.81 85 N 8.21 4.39 0.00 2.83 2.84 0.00 0.00 6.85 7.29 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 86 V 7.36 4.04 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 87 F 8.55 4.85 0.00 3.10 2.88 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 88 P 0.00 4.61 0.00 2.07 2.01 0.00 3.94 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 89 E 9.02 3.81 0.00 2.16 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 2.22 2.30 0.00 90 T 7.55 3.98 4.51 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 0.00 0.00 1.42 0.00 0.00 91 V 8.22 3.83 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 0.74 0.00 0.00 0.94 0.00 0.00 92 M 7.71 4.10 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.76 0.00 93 P 0.00 4.12 0.00 1.20 1.66 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 94 A 8.13 4.49 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 95 Y 8.31 4.49 0.00 3.56 3.12 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 96 Y 8.23 4.84 0.00 2.86 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 97 R 8.22 4.65 0.00 1.97 1.75 0.00 3.32 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 98 V 8.03 4.69 2.22 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 0.71 0.00 0.00 0.86 0.00 0.00 99 E 7.96 4.58 0.00 1.95 1.84 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 2.10 2.15 0.00 100 G 8.78 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.54 4.63 0.00 3.03 2.95 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 0.00 0.00 0.00 102 N 8.13 4.72 0.00 2.65 2.71 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 0.00 103 R 8.75 3.86 0.00 2.00 1.98 0.00 3.27 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 104 P 0.00 4.33 0.00 1.94 1.94 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 105 G 8.20 4.09 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 0.00 106 I 8.92 3.94 1.83 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 1.11 0.83 0.87 0.00 0.00 107 A 8.32 3.15 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.60 4.91 0.00 3.02 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 0.00 109 T 7.87 4.22 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 1.28 0.00 0.00 110 S 8.01 3.81 0.00 4.06 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 0.00 111 K 7.52 4.56 0.00 1.65 1.69 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.38 7.81 112 P 0.00 4.77 0.00 2.06 2.04 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 113 I 8.04 3.90 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.39 0.88 0.00 0.00 114 E 9.01 4.54 0.00 1.94 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 0.00 2.10 1.83 0.00 115 G 8.69 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 0.00 116 E 8.28 4.15 0.00 1.97 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 0.00 2.31 2.32 0.00 117 I 8.08 4.12 2.16 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.53 0.89 0.00 0.00 118 R 8.32 4.30 0.00 1.78 1.85 0.00 3.22 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 119 P 0.00 4.68 0.00 2.69 1.91 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.88 0.00 120 L 8.63 4.18 0.00 1.87 2.02 0.61 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 121 M 8.07 5.09 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.47 0.00 122 T 8.80 4.39 4.32 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 1.32 0.00 0.00 123 A 8.68 3.69 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 0.00 124 G 8.05 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.20 3.99 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 126 I 7.86 3.66 1.78 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.81 0.00 0.00 127 E 8.32 3.97 0.00 1.94 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 2.44 2.45 0.00 128 D 8.32 4.52 0.00 2.90 2.79 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 0.00 129 V 7.81 3.65 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 1.07 0.00 0.00 0.95 0.00 0.00 130 V 8.44 3.55 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 0.95 0.00 0.00 0.95 0.00 0.00 131 A 7.95 3.98 1.43 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 0.00 0.00 132 Y 7.95 4.18 0.00 3.34 3.14 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 0.00 0.00 0.00 133 L 8.25 3.82 0.00 1.70 1.67 0.94 1.12 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 0.00 134 M 7.85 4.20 0.00 1.98 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.90 0.00 135 T 7.26 4.21 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 1.22 0.00 0.00 136 L 7.27 4.21 0.00 1.73 1.54 0.76 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.53 4.13 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 * Residues marked with a * may have inaccurate shift predictions.