NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4987 8.3049 120.3238 54.7195 34.0816 175.4512 2 Q 4.3587 7.7377 114.9951 52.2930 32.4447 172.8826 3 R 4.5863 8.9555 117.8705 54.3085 33.8072 172.5966 4 G 3.6482 7.9645 104.2947 44.1135 0.0000 173.4211 5 I 5.7027 7.9898 124.4972 58.7274 42.3413 174.5011 6 V 4.7544 9.0241 117.4358 59.5765 35.1867 174.8037 7 W 5.5510 8.8145 124.6325 55.2698 32.5620 175.1111 8 V 4.8584 8.1688 121.2860 61.8020 35.0524 173.6488 9 V 4.8283 8.1670 119.6602 60.0414 34.7284 174.1597 10 D 4.4880 8.2900 122.7108 54.3763 45.5089 175.2582 11 D 4.3371 8.2167 115.5428 53.6370 41.1559 176.6243 12 D 4.4098 7.0594 118.8760 55.5191 41.3406 176.5529 13 S 4.8027 7.5302 114.6299 59.5375 69.6913 175.7789 14 S 4.9721 7.4773 111.3377 56.8048 63.3590 178.6140 15 I 3.6709 7.7345 123.5721 65.4221 37.4625 177.6020 16 R 4.0205 8.1298 116.2570 59.0181 28.0051 178.2523 17 W 4.3424 8.1918 128.9910 60.0877 30.6841 177.5653 18 V 2.9112 6.7088 117.8004 64.2707 31.0829 178.1282 19 L 3.9441 8.8643 119.7757 57.6977 41.5617 178.7695 20 E 4.2768 8.4607 118.7102 58.2224 29.2720 178.0970 21 R 4.1158 7.3587 118.4456 58.1548 30.0522 177.1995 22 A 4.4277 7.3549 118.8496 53.1810 20.0180 178.7310 23 L 4.1228 8.3806 118.1361 57.6803 41.4418 179.3045 24 A 4.0181 7.9983 121.6829 54.9553 18.5148 178.8148 25 G 3.9930 7.5807 102.8380 45.6976 0.0000 173.9597 26 A 4.7380 7.7976 121.8717 51.6059 21.8939 177.6430 27 G 4.2458 7.8326 103.3449 44.4983 0.0000 174.1952 28 L 4.3702 9.1505 118.6482 56.3690 42.9083 172.1985 29 T 3.2885 8.1198 120.4921 64.0211 66.7998 170.5360 30 C 6.0181 8.2874 124.2540 57.3201 35.1404 172.4223 31 T 5.0116 8.5231 118.3784 62.7508 73.4246 172.4588 32 T 5.0396 7.9378 110.8097 61.1407 71.8342 173.0561 33 F 4.4037 8.9449 123.2669 56.3329 42.6307 173.5269 34 E 4.5228 9.1805 117.2335 56.7981 28.4468 177.3722 35 N 4.4733 8.2434 120.2860 53.9585 39.8302 176.7279 36 G 3.6891 8.2089 104.9525 45.1796 0.0000 174.1789 37 N 4.2227 7.4524 117.8473 55.5413 38.6679 175.9804 38 E 3.5943 8.0683 118.1737 59.9345 29.6296 179.4478 39 V 2.8461 6.7020 118.3161 65.7712 31.1799 177.0552 40 L 3.8512 8.5092 120.1971 58.7575 41.6349 178.7068 41 A 3.9916 7.7575 120.1017 53.8848 18.5885 178.1949 42 A 4.5737 8.0105 118.3991 52.3630 19.6119 178.3215 43 L 4.4288 8.6571 118.7069 56.0190 42.1689 177.7364 44 A 4.5480 7.8572 119.1868 52.2691 18.8008 176.6802 45 S 4.5219 7.7602 108.4736 59.8982 64.1091 174.7786 46 K 3.8014 7.0703 121.8955 52.3307 32.7201 172.1924 47 T 2.9593 7.4344 131.0970 60.5523 66.3580 170.3921 48 P 4.2911 0.0000 0.0000 62.3722 32.9891 175.4459 49 D 4.5697 7.6876 116.1409 56.7232 41.4931 176.6954 50 V 4.4205 7.3731 116.2418 61.5709 34.4539 170.8909 51 L 5.4674 8.3061 121.5236 55.4908 45.8775 173.7206 52 L 5.0961 8.4024 124.8100 56.1617 44.7072 175.3861 53 S 5.0781 8.4503 117.6654 58.8301 66.1215 177.2811 *55 I 4.1553 7.8081 122.3300 61.5955 37.9925 175.8455 56 R 5.0728 7.6752 112.7603 56.9364 30.6609 173.9161 57 M 4.7149 8.0336 114.8670 53.6373 33.8316 173.5802 58 P 4.4788 0.0000 0.0000 62.8270 32.9199 174.7015 59 G 4.2677 9.4371 106.5185 45.6003 0.0000 173.2750 60 M 4.5558 6.7128 115.1493 51.6422 34.9538 174.6131 61 D 4.1611 8.3793 120.1642 53.6484 43.1193 174.3023 62 G 3.5816 8.6826 111.6351 46.9352 0.0000 174.7572 63 L 3.9126 9.2200 120.9694 57.6850 43.9428 177.6402 64 A 3.6770 8.5539 121.2916 52.0432 19.3198 175.8766 65 L 3.6264 8.5082 113.3403 57.9033 41.2465 177.7575 66 L 5.4804 8.1110 135.0000 56.8359 41.1955 173.8797 67 K 4.1501 7.0082 119.5535 57.5638 33.0784 178.3430 68 Q 3.7954 8.0923 119.2505 59.6382 29.4608 179.8704 69 I 3.5914 7.8301 116.9858 64.0721 38.1704 177.2487 70 K 3.6868 9.2634 118.3660 58.7306 31.2698 178.9369 71 Q 3.8046 8.7319 121.3798 60.0337 29.7506 179.7785 72 R 4.1002 7.6615 118.6980 58.4213 30.2127 177.4016 73 H 4.8003 7.8453 110.7086 54.6173 29.9743 171.6459 74 P 4.3700 0.0000 0.0000 66.3399 31.8648 178.1503 75 M 4.5162 7.8321 116.2159 55.1336 33.7997 176.4603 76 L 4.2038 8.0388 120.1004 54.4839 42.8923 174.4445 77 P 3.9085 0.0000 0.0000 62.6333 31.7678 176.5401 78 V 4.5483 7.7344 119.7844 60.4574 33.3070 176.6968 79 I 2.6699 7.2515 116.8616 62.7604 38.5520 171.2891 80 I 4.0155 7.3793 117.4328 61.3723 41.4676 173.7113 81 M 5.1032 7.4737 121.9585 54.0356 35.6501 174.4631 82 T 4.7077 8.4911 129.0382 61.9287 69.6746 171.6566 83 A 4.4997 8.4168 135.0000 51.2549 18.7486 175.5599 84 H 3.8576 8.8783 112.4188 57.7352 28.1395 174.4646 85 S 4.3152 8.7046 114.6905 59.6520 64.1220 173.3033 86 D 4.9213 7.8495 117.7561 53.7099 39.9210 177.7135 87 L 4.1310 7.9486 118.3709 57.7778 42.7176 179.3810 88 D 4.5297 8.1301 118.5929 56.6582 41.2327 177.7752 89 A 4.3749 7.9622 119.2721 53.4442 18.6506 177.9891 90 A 4.1799 7.5638 118.0998 52.1258 19.0913 177.4101 91 V 4.0970 7.2461 110.3720 63.2216 34.7843 177.9489 92 S 4.0748 8.7641 114.2117 60.6953 62.4223 175.1275 93 A 5.3428 7.5914 120.2448 51.6276 18.5638 176.7923 94 Y 4.7174 7.9132 114.1087 58.4504 39.6789 175.5045 95 Q 5.0550 7.5751 115.6015 55.5430 30.0781 173.2971 96 Q 4.3039 8.0212 123.4715 58.0142 35.6153 175.9284 97 G 3.7468 7.2367 114.7819 45.4879 0.0000 174.1100 98 A 3.4487 8.0236 121.3189 52.4886 18.5304 179.3226 99 F 4.6331 6.8633 115.9705 57.4661 38.8530 175.2047 100 D 4.8268 6.8119 121.1972 54.1836 43.1061 174.4217 101 Y 4.3167 7.4110 116.2504 57.8301 41.4379 173.8186 102 L 4.6852 8.4456 126.9024 52.7375 41.7457 173.9926 103 P 4.6445 0.0000 0.0000 62.5762 32.7111 177.2049 104 K 3.7307 8.5602 121.0714 55.3270 31.6407 174.8333 105 P 4.1403 0.0000 0.0000 61.3284 29.2307 175.5533 106 F 4.3131 7.1694 116.5132 57.8395 38.0631 173.5412 107 D 4.9945 8.4968 119.2385 52.8746 42.5730 176.2981 108 I 3.9832 7.8039 119.6900 63.8904 36.8870 177.5093 109 D 4.6932 8.0254 117.9074 57.9077 40.9935 178.7705 110 E 3.4587 8.2614 116.4466 58.4863 29.5682 178.4646 111 A 4.0634 7.4823 120.6688 54.2502 19.4181 179.5823 112 V 3.4455 9.0605 116.6390 66.1794 31.2801 178.0941 113 A 3.9228 8.9141 121.2280 54.5040 17.6278 178.8022 114 L 3.7263 7.5812 118.5023 57.0567 42.2083 178.5071 115 V 3.5381 8.2904 118.4803 65.1810 31.1263 177.6649 116 E 4.0966 8.1447 118.1104 58.6607 28.9036 178.6884 117 R 4.1635 7.6562 115.4105 58.1238 29.7044 178.2816 118 A 4.4555 7.3204 120.3968 54.4134 18.8535 179.3511 119 I 3.9386 7.8134 118.8974 64.6504 37.3226 178.2874 120 S 4.2796 7.8901 112.3757 60.6037 62.0457 175.2243 121 H 4.0914 7.6894 119.4923 59.0616 29.4899 176.0302 122 Y 4.0806 7.6933 121.1318 59.1048 38.7041 174.9833 123 Q 4.3198 7.7362 121.9826 54.3908 29.1130 175.0673 124 E 4.0368 8.8541 122.7922 56.8358 29.2188 177.0982 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 M 8.30 4.50 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 2 Q 7.74 4.36 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 3 R 8.96 4.59 0.00 1.78 1.80 0.00 2.95 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 4 G 7.96 3.65 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 0.00 0.00 0.00 5 I 7.99 5.70 1.65 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.77 0.00 0.00 6 V 9.02 4.75 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 0.78 0.00 0.00 1.03 0.00 0.00 7 W 8.81 5.55 0.00 3.41 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 8 V 8.17 4.86 2.17 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 1.06 0.00 0.00 1.01 0.00 0.00 9 V 8.17 4.83 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 0.61 0.00 0.00 0.90 0.00 0.00 10 D 8.29 4.49 0.00 2.80 2.53 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 11 D 8.22 4.34 0.00 2.76 2.56 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 12 D 7.06 4.41 0.00 2.82 2.56 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 13 S 7.53 4.80 0.00 3.80 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 14 S 7.48 4.97 0.00 4.27 4.11 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 15 I 7.73 3.67 1.88 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 1.66 1.03 0.93 0.00 0.00 16 R 8.13 4.02 0.00 2.06 2.28 0.00 3.20 0.00 0.00 3.41 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 17 W 8.19 4.34 0.00 3.37 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 18 V 6.71 2.91 1.77 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 0.78 0.00 0.00 -0.19 0.00 0.00 19 L 8.86 3.94 0.00 1.92 1.73 0.98 0.86 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 20 E 8.46 4.28 0.00 2.04 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 0.00 2.37 2.66 0.00 21 R 7.36 4.12 0.00 2.01 1.65 0.00 3.21 0.00 0.00 2.99 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 22 A 7.35 4.43 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 23 L 8.38 4.12 0.00 1.82 1.75 0.92 0.95 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 24 A 8.00 4.02 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 25 G 7.58 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 26 A 7.80 4.74 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 27 G 7.83 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 28 L 9.15 4.37 0.00 1.83 1.76 0.98 0.47 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 29 T 8.12 3.29 4.41 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 1.24 0.00 0.00 30 C 8.29 6.02 0.00 2.98 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 31 T 8.52 5.01 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 1.00 0.00 0.00 32 T 7.94 5.04 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 1.31 0.00 0.00 33 F 8.94 4.40 0.00 2.84 2.85 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 0.00 0.00 0.00 34 E 9.18 4.52 0.00 1.89 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 2.27 2.17 0.00 35 N 8.24 4.47 0.00 2.68 2.85 0.00 0.00 7.17 7.67 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 36 G 8.21 3.69 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 37 N 7.45 4.22 0.00 2.73 2.66 0.00 0.00 6.80 7.63 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 38 E 8.07 3.59 0.00 2.21 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 0.00 2.30 2.30 0.00 39 V 6.70 2.85 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 0.56 0.00 0.00 -1.88 0.00 0.00 40 L 8.51 3.85 0.00 1.77 1.62 0.95 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.76 3.99 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 42 A 8.01 4.57 1.46 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 43 L 8.66 4.43 0.00 2.09 1.96 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.86 4.55 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 45 S 7.76 4.52 0.00 4.05 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 46 K 7.07 3.80 0.00 1.73 1.49 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.27 7.81 47 T 7.43 2.96 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 1.14 0.00 0.00 48 P 0.00 4.29 0.00 2.18 1.49 0.00 3.47 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.55 0.00 49 D 7.69 4.57 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.37 4.42 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 0.63 0.00 0.00 0.96 0.00 0.00 51 L 8.31 5.47 0.00 2.02 1.55 1.02 0.29 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 52 L 8.40 5.10 0.00 1.71 1.57 0.96 0.85 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 53 S 8.45 5.08 0.00 4.05 3.71 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 *55 I 7.81 4.16 1.87 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 0.64 0.92 0.00 0.00 56 R 7.68 5.07 0.00 1.96 1.98 0.00 3.22 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.00 57 M 8.03 4.71 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 58 P 0.00 4.48 0.00 2.20 2.13 0.00 3.78 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 1.98 1.96 0.00 59 G 9.44 4.27 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 0.00 60 M 6.71 4.56 0.00 1.89 1.78 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 61 D 8.38 4.16 0.00 3.04 2.58 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 0.00 0.00 0.00 62 G 8.68 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 63 L 9.22 3.91 0.00 1.61 1.72 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.55 3.68 1.25 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 65 L 8.51 3.63 0.00 1.64 1.54 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.11 5.48 0.00 1.71 1.78 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.01 4.15 0.00 1.85 1.71 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.42 7.81 68 Q 8.09 3.80 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 69 I 7.83 3.59 1.82 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 1.49 0.48 0.77 0.00 0.00 70 K 9.26 3.69 0.00 1.79 1.62 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.56 7.81 71 Q 8.73 3.80 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 72 R 7.66 4.10 0.00 2.07 2.18 0.00 3.37 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 73 H 7.85 4.80 0.00 3.28 3.29 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.37 0.00 2.21 2.21 0.00 3.78 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 75 M 7.83 4.52 0.00 1.87 2.11 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 76 L 8.04 4.20 0.00 1.70 1.68 0.91 0.95 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 77 P 0.00 3.91 0.00 2.17 2.12 0.00 3.77 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 78 V 7.73 4.55 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 0.95 0.00 0.00 0.57 0.00 0.00 79 I 7.25 2.67 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.73 0.78 0.00 0.00 80 I 7.38 4.02 1.31 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 0.99 0.54 -1.06 0.00 0.00 81 M 7.47 5.10 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.07 0.00 82 T 8.49 4.71 4.29 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 1.32 0.00 0.00 83 A 8.42 4.50 1.16 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 0.00 0.00 0.00 84 H 8.88 3.86 0.00 3.27 3.27 0.00 5.73 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 85 S 8.70 4.32 0.00 3.99 3.89 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 86 D 7.85 4.92 0.00 3.05 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 87 L 7.95 4.13 0.00 1.65 1.74 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.13 4.53 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 89 A 7.96 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.56 4.18 1.18 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 0.00 0.00 0.00 91 V 7.25 4.10 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 0.60 0.00 0.00 0.96 0.00 0.00 92 S 8.76 4.07 0.00 4.05 3.89 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 93 A 7.59 5.34 1.45 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 0.00 0.00 94 Y 7.91 4.72 0.00 3.03 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 95 Q 7.58 5.06 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.05 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 96 Q 8.02 4.30 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.77 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 97 G 7.24 3.75 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 0.00 0.00 0.00 98 A 8.02 3.45 1.21 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 99 F 6.86 4.63 0.00 3.02 3.16 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 0.00 100 D 6.81 4.83 0.00 2.49 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 0.00 101 Y 7.41 4.32 0.00 2.82 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 0.00 102 L 8.45 4.69 0.00 1.37 1.09 0.61 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.64 0.00 2.21 1.93 0.00 4.08 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 104 K 8.56 3.73 0.00 1.96 1.89 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.43 7.81 105 P 0.00 4.14 0.00 2.04 1.94 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 106 F 7.17 4.31 0.00 3.11 3.18 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 0.00 107 D 8.50 4.99 0.00 2.82 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 0.00 108 I 7.80 3.98 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 0.89 0.00 0.00 109 D 8.03 4.69 0.00 2.71 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 0.00 110 E 8.26 3.46 0.00 2.05 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 2.34 2.36 0.00 111 A 7.48 4.06 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 0.00 112 V 9.06 3.45 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 1.11 0.00 0.00 0.97 0.00 0.00 113 A 8.91 3.92 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 0.00 114 L 7.58 3.73 0.00 1.82 1.69 0.98 1.00 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 0.00 115 V 8.29 3.54 2.20 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 1.07 0.00 0.00 0.93 0.00 0.00 116 E 8.14 4.10 0.00 2.02 1.99 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 2.40 2.31 0.00 117 R 7.66 4.16 0.00 1.93 2.18 0.00 2.99 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 118 A 7.32 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.81 3.94 1.96 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 1.61 1.17 0.95 0.00 0.00 120 S 7.89 4.28 0.00 4.05 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 0.00 121 H 7.69 4.09 0.00 3.31 3.11 0.00 6.00 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.69 4.08 0.00 3.15 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 0.00 123 Q 7.74 4.32 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 124 E 8.85 4.04 0.00 2.06 1.93 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 2.27 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.