NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.2527 8.3344 115.4032 57.3979 65.0560 172.9036 1 L 4.3630 7.7090 123.9148 51.9656 42.3108 174.0076 2 I 3.9144 8.3567 121.6754 61.7786 39.4833 176.3840 3 W 4.7140 7.0988 120.6074 57.2622 29.1229 175.7629 4 K 4.5477 9.2594 121.4300 56.0926 32.7264 176.3387 5 R 4.5440 7.7054 117.8876 53.9230 33.0460 174.8666 6 K 4.2045 8.5684 124.1966 56.1090 33.0663 175.4367 7 I 4.5042 7.7482 123.7002 58.9704 41.1116 174.0417 8 T 4.6844 8.0732 116.3993 60.0560 72.4266 175.6049 9 L 3.7463 8.3666 126.0638 59.7247 40.9739 179.6571 10 E 4.0990 8.1250 119.1860 59.4028 29.4614 178.8165 11 A 3.9930 7.7954 119.3545 54.7201 18.5973 179.1901 12 L 3.8085 8.6012 120.0637 58.4982 42.1218 179.0129 13 N 4.4522 8.7240 116.4691 56.2465 38.1875 177.0827 14 A 4.0264 7.5994 121.0432 55.1139 18.3629 178.9484 15 M 4.1247 7.8575 117.2857 58.1058 33.5610 178.1494 16 G 4.1536 7.8187 109.1087 44.0008 0.0000 173.7010 17 E 4.7472 8.3486 120.9486 53.8219 29.8275 174.2115 18 G 3.3290 7.3403 108.7785 44.9480 0.0000 170.9763 19 N 5.0412 7.6601 118.0493 50.0753 40.7983 174.6686 20 M 3.8857 8.7359 116.6717 59.2540 32.0296 178.1062 21 V 3.7333 8.0985 117.3334 65.3731 31.5438 177.9986 22 G 3.7452 8.3964 109.7842 47.5371 0.0000 176.4650 *23 F 4.2815 8.1070 121.8777 61.0122 37.8870 178.3083 24 L 4.5317 7.6378 114.4909 54.0235 42.1493 175.7608 25 D 4.3785 8.3281 117.7551 55.2049 39.8625 173.4088 26 I 4.3113 7.5124 118.4313 60.4442 38.2043 176.2069 27 R 4.7530 8.5428 123.3935 54.0922 31.9322 174.9335 28 F 4.6197 9.7978 124.1293 57.6595 39.2687 175.3072 29 E 4.8021 9.0361 119.8163 56.1667 31.4820 175.0805 30 H 4.9368 8.0990 118.5592 55.2201 33.7407 172.7179 31 I 4.8750 7.6210 122.9646 60.3146 38.7402 175.4459 32 G 4.0432 8.3481 112.2930 44.7624 0.0000 170.7214 33 D 4.6484 8.8094 117.8499 57.0301 40.9891 177.8633 34 D 4.5243 7.9855 115.2040 52.8655 40.8045 174.5532 35 T 5.2577 8.0529 108.6416 60.6907 72.9413 172.3576 36 L 5.1156 9.2585 124.6183 53.8683 45.3180 175.1612 37 E 5.4293 8.7786 125.4188 54.3001 33.2677 175.0293 38 A 4.7071 8.0294 118.2586 51.6116 22.4581 175.9438 39 T 4.9195 8.2522 113.3977 60.7437 71.7248 173.4733 40 M 5.1780 8.7804 121.7144 53.0974 36.2375 172.1475 41 P 4.5988 0.0000 0.0000 62.5254 32.5073 177.1158 42 V 4.1820 8.3513 126.4327 61.4763 29.8110 173.9706 43 D 4.9448 8.4404 123.6307 50.7049 42.8211 176.8764 44 S 4.2285 8.8795 112.4482 62.0603 62.6462 176.1173 45 R 4.0528 8.7227 119.8978 58.3259 30.0820 177.3499 46 T 4.4770 8.4340 106.1887 61.0799 69.1793 173.7922 47 K 4.8960 7.7885 121.0979 55.2595 34.1178 175.8339 48 Q 4.4239 8.4022 119.9329 53.9898 30.2800 174.8298 49 P 4.0571 0.0000 0.0000 64.5062 31.2520 177.0955 50 F 4.9395 7.9650 115.3060 57.0003 39.5525 176.3131 51 G 3.9412 8.5527 109.0739 45.3613 0.0000 173.7628 52 L 4.6513 8.1127 120.0782 52.5172 44.5568 175.6133 53 L 4.3463 8.3932 123.2013 55.7645 42.6552 176.1678 54 H 4.2943 9.6780 127.1829 55.7559 30.7786 176.4263 55 G 3.6661 8.9881 112.1600 47.9551 0.0000 176.0513 56 G 3.6451 8.4997 107.0281 47.2876 0.0000 175.6437 57 A 4.0385 7.9902 123.2441 55.1502 18.3864 179.8382 58 S 4.0721 8.0111 113.2671 61.8297 62.9123 176.9928 59 V 3.6559 7.7226 120.5801 65.7187 31.2389 178.2115 60 V 3.5711 8.2741 118.6531 65.7280 31.2567 177.7753 61 L 3.7963 8.0525 119.7404 58.2152 41.9185 178.2961 62 A 3.9633 7.9983 120.5537 55.6860 18.4520 179.2718 63 E 3.8756 8.7135 117.2517 59.1595 29.1129 179.3834 64 S 4.2179 7.9466 115.4979 61.4767 63.0210 176.5137 65 I 4.1623 8.0963 122.8104 64.0506 36.7618 178.7403 66 G 3.2705 8.3985 107.1751 47.4606 0.0000 175.9727 67 S 4.1078 7.8590 117.4163 61.4734 62.8313 177.3163 68 V 3.6266 7.4691 120.6130 64.5466 30.9826 178.2095 69 A 3.9967 7.5210 120.7295 54.7995 18.5060 179.4225 70 G 4.3828 7.5208 105.6913 47.8174 0.0000 175.2457 71 Y 4.1782 8.0594 121.9052 60.4301 38.9366 177.8096 72 L 4.0915 8.4386 118.9690 56.4939 41.3544 177.9325 73 C 4.9377 7.7343 115.9651 59.1436 28.9383 172.5848 74 T 4.7508 7.6187 111.4220 59.8014 71.6096 172.0777 75 E 4.6234 8.5956 117.7515 55.4540 33.6689 177.3247 76 G 3.7694 8.0747 108.5574 47.4794 0.0000 174.8018 77 E 4.4404 8.8210 124.1230 56.0839 29.6475 175.9316 78 Q 4.5640 7.5819 118.2161 56.5522 29.6225 175.6802 79 K 4.9030 9.1694 119.0432 55.6229 37.2337 175.4247 80 V 4.9909 8.5049 114.5688 59.8133 34.6809 175.6512 81 V 4.4817 8.8081 117.1296 59.2052 34.9714 175.4390 82 G 3.9438 8.9025 112.8382 46.8554 0.0000 172.2904 83 L 4.7529 9.1884 124.5860 55.7861 43.3699 176.5139 84 E 4.8200 7.9295 118.1803 54.6170 33.4763 173.2870 85 I 5.3386 8.2721 124.3942 59.5049 41.5362 173.6641 86 N 5.2514 9.1650 124.6275 51.3957 40.9005 173.0285 87 A 5.1061 8.4380 120.9825 50.5294 22.8506 174.9499 88 N 4.6869 9.0767 119.2754 51.9973 41.7344 173.4924 89 H 4.9506 8.7453 124.6213 55.7514 28.4811 175.5977 90 V 4.2339 8.1575 116.4715 61.4227 32.6017 176.6749 91 R 4.4151 7.5743 118.0402 55.2786 32.6269 174.2589 92 S 4.5544 8.5378 119.3228 57.6685 64.7043 172.9790 93 A 4.7297 8.0418 122.0081 50.9029 21.6797 176.8107 94 R 4.6452 8.5273 115.4562 55.4333 31.0428 174.8003 95 E 4.6693 7.8721 115.0035 56.1016 33.4576 176.6078 96 G 4.1071 8.5761 105.4712 47.0197 0.0000 172.7785 97 R 5.1088 8.7917 121.6739 54.4437 33.5957 175.5060 98 V 4.4709 8.6226 116.4332 60.0308 33.9816 174.7904 99 R 4.7829 9.0260 125.2455 54.5019 32.6083 174.6511 100 G 4.3224 8.7217 113.2285 44.5338 0.0000 172.1514 101 V 4.5985 9.3305 127.0588 61.6572 33.3559 173.8847 102 C 5.4907 9.0231 129.9981 57.8986 33.1342 172.5715 103 K 5.4218 9.2053 124.8731 54.4765 36.1572 173.7708 104 P 4.2429 0.0000 0.0000 62.7684 31.7138 175.6501 105 L 4.4764 8.6094 121.5825 56.3951 43.7260 176.7882 106 H 4.4634 7.4701 117.1810 55.0972 33.3542 172.6433 107 L 4.4440 8.1419 126.3152 52.9926 41.8827 176.6057 108 G 3.9133 8.3605 113.4048 44.5145 0.0000 170.8795 109 S 4.5680 8.4861 111.8010 58.6876 64.2235 174.7857 110 R 4.5764 7.9200 118.8548 56.9228 33.2952 175.2212 111 H 5.4440 8.0639 113.5129 54.2989 33.7227 172.5320 112 Q 4.9742 9.0856 118.1316 54.2470 33.5813 174.5590 113 V 4.7980 8.4358 120.8552 61.1095 34.6268 174.2454 114 W 5.1989 9.4694 127.9861 54.9066 32.6157 174.3843 115 Q 5.0646 9.3629 125.0651 54.4906 31.0665 174.1428 116 I 5.0063 9.2123 127.8320 59.8330 40.0965 174.2364 117 E 4.7460 8.8238 127.3957 54.6695 31.5610 175.2336 118 I 4.8519 8.8973 126.8624 59.6983 39.3902 175.0446 119 F 5.4351 9.7577 125.9157 55.7012 42.7885 174.7170 120 D 5.1613 8.7472 120.8580 51.9953 41.3903 177.2413 121 E 3.9625 8.9044 117.2295 59.3767 29.4180 179.0723 122 K 4.2377 8.2175 115.4757 56.3654 32.3949 177.3582 123 G 3.8858 8.7491 107.5035 46.0388 0.0000 173.4823 124 R 4.5337 8.7222 119.6113 53.8692 31.3004 175.9884 125 L 4.1692 8.6995 124.6319 55.9365 42.8430 175.9355 126 C 4.8348 9.3192 123.4237 60.7987 31.3952 173.5910 127 C 5.0983 7.5756 117.3471 58.0377 34.9572 172.6301 128 S 5.2762 8.6908 120.3937 56.5202 65.0564 172.7938 129 S 5.1603 9.1525 120.3956 57.1461 67.0982 172.8754 130 R 5.2374 9.0711 119.1615 54.3659 33.9186 174.3082 131 L 5.2402 9.2437 124.9132 53.6954 45.2903 174.9335 132 T 5.2139 9.1778 124.0167 62.3464 70.5232 174.0699 133 T 5.2128 9.2224 116.5396 59.8677 72.5091 172.7502 134 A 5.1547 9.0472 124.1082 50.2516 22.0179 175.3254 135 I 4.6883 8.7422 123.4588 60.1637 38.4341 175.3889 136 L 4.7917 9.3806 127.9853 52.6389 44.8973 176.5883 137 E 4.1186 8.6992 121.9352 56.5268 29.6735 176.2023 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 S 8.33 4.25 0.00 3.96 4.03 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 0.00 0.00 0.00 1 L 7.71 4.36 0.00 1.67 1.59 1.16 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.36 3.91 1.52 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 0.36 -0.36 0.62 0.00 0.00 3 W 7.10 4.71 0.00 3.33 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 4 K 9.26 4.55 0.00 1.83 1.81 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 5 R 7.71 4.54 0.00 1.63 1.71 0.00 2.46 0.00 0.00 2.77 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.57 0.00 6 K 8.57 4.20 0.00 1.70 1.68 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.45 7.81 7 I 7.75 4.50 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.52 0.61 0.00 0.00 8 T 8.07 4.68 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 1.17 0.00 0.00 9 L 8.37 3.75 0.00 1.67 1.74 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.12 4.10 0.00 1.98 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 2.32 0.00 11 A 7.80 3.99 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 12 L 8.60 3.81 0.00 1.59 1.59 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.72 4.45 0.00 2.85 2.92 0.00 0.00 6.98 8.00 0.00 0.00 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 A 7.60 4.03 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 15 M 7.86 4.12 0.00 1.94 2.25 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 16 G 7.82 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 0.00 0.00 0.00 0.00 17 E 8.35 4.75 0.00 2.13 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 2.16 2.31 0.00 18 G 7.34 3.33 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 0.00 19 N 7.66 5.04 0.00 2.90 2.91 0.00 0.00 5.81 7.66 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 20 M 8.74 3.89 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 21 V 8.10 3.73 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 1.02 0.00 0.00 0.97 0.00 0.00 22 G 8.40 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 *23 F 8.11 4.28 0.00 2.39 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 0.00 0.00 0.00 0.00 24 L 7.64 4.53 0.00 1.70 1.70 0.89 1.08 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 25 D 8.33 4.38 0.00 2.74 2.74 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 26 I 7.51 4.31 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 0.53 0.00 0.00 27 R 8.54 4.75 0.00 1.86 2.00 0.00 2.86 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 28 F 9.80 4.62 0.00 2.82 3.02 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 29 E 9.04 4.80 0.00 1.86 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 2.25 2.46 0.00 30 H 8.10 4.94 0.00 3.23 3.16 0.00 5.86 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 31 I 7.62 4.88 1.74 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 1.17 0.50 0.40 0.00 0.00 32 G 8.35 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 0.00 0.00 0.00 33 D 8.81 4.65 0.00 2.78 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 34 D 7.99 4.52 0.00 2.61 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 35 T 8.05 5.26 4.43 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 1.33 0.00 0.00 36 L 9.26 5.12 0.00 2.01 1.73 0.78 0.78 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 37 E 8.78 5.43 0.00 2.01 1.89 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 2.34 2.22 0.00 38 A 8.03 4.71 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.92 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 1.27 0.00 0.00 40 M 8.78 5.18 0.00 2.01 1.80 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 2.44 2.43 0.00 41 P 0.00 4.60 0.00 2.41 2.02 0.00 3.82 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 1.95 1.98 0.00 42 V 8.35 4.18 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 0.77 0.00 0.00 0.97 0.00 0.00 43 D 8.44 4.94 0.00 2.80 2.74 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 44 S 8.88 4.23 0.00 3.98 4.08 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 0.00 0.00 0.00 45 R 8.72 4.05 0.00 1.85 2.01 0.00 3.10 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 46 T 8.43 4.48 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 1.24 0.00 0.00 47 K 7.79 4.90 0.00 1.76 1.80 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.58 7.81 48 Q 8.40 4.42 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.52 0.00 49 P 0.00 4.06 0.00 1.11 1.75 0.00 3.34 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 1.77 1.94 0.00 50 F 7.96 4.94 0.00 3.18 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 51 G 8.55 3.94 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 0.00 0.00 0.00 52 L 8.11 4.65 0.00 1.64 1.62 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.39 4.35 0.00 1.63 1.58 0.97 1.11 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 54 H 9.68 4.29 0.00 3.25 3.13 0.00 5.65 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 55 G 8.99 3.67 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 0.00 56 G 8.50 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 57 A 7.99 4.04 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 58 S 8.01 4.07 0.00 4.12 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 59 V 7.72 3.66 2.21 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 1.08 0.00 0.00 1.03 0.00 0.00 60 V 8.27 3.57 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 0.91 0.00 0.00 0.93 0.00 0.00 61 L 8.05 3.80 0.00 1.76 1.82 0.85 0.81 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 62 A 8.00 3.96 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 0.00 0.00 0.00 0.00 0.00 63 E 8.71 3.88 0.00 2.03 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 2.31 2.36 0.00 64 S 7.95 4.22 0.00 4.07 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 65 I 8.10 4.16 1.88 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 1.23 0.67 1.01 0.00 0.00 66 G 8.40 3.27 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 67 S 7.86 4.11 0.00 3.90 3.91 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 68 V 7.47 3.63 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 0.80 0.00 0.00 0.67 0.00 0.00 69 A 7.52 4.00 0.33 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 70 G 7.52 4.38 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 0.00 71 Y 8.06 4.18 0.00 3.10 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 72 L 8.44 4.09 0.00 2.09 1.79 0.32 0.89 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 73 C 7.73 4.94 0.00 3.41 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 74 T 7.62 4.75 4.37 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 1.26 0.00 0.00 75 E 8.60 4.62 0.00 2.12 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 2.17 2.24 0.00 76 G 8.07 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 77 E 8.82 4.44 0.00 1.99 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 2.28 2.28 0.00 78 Q 7.58 4.56 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.66 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 79 K 9.17 4.90 0.00 1.70 1.71 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.70 7.81 80 V 8.50 4.99 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 0.88 0.00 0.00 1.09 0.00 0.00 81 V 8.81 4.48 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 0.72 0.00 0.00 1.04 0.00 0.00 82 G 8.90 3.94 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 0.00 0.00 0.00 83 L 9.19 4.75 0.00 1.71 1.75 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.93 4.82 0.00 1.98 1.74 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 2.28 2.25 0.00 85 I 8.27 5.34 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 1.43 1.22 0.93 0.00 0.00 86 N 9.17 5.25 0.00 2.83 2.84 0.00 0.00 6.49 6.71 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 87 A 8.44 5.11 1.15 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 0.00 0.00 88 N 9.08 4.69 0.00 2.68 2.62 0.00 0.00 7.28 8.08 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 89 H 8.75 4.95 0.00 3.10 3.23 0.00 5.74 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.16 4.23 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 0.71 0.00 0.00 0.93 0.00 0.00 91 R 7.57 4.42 0.00 1.72 1.89 0.00 3.37 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 92 S 8.54 4.55 0.00 4.02 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 93 A 8.04 4.73 1.24 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 0.00 0.00 94 R 8.53 4.65 0.00 1.89 2.00 0.00 3.04 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 95 E 7.87 4.67 0.00 2.05 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 2.18 2.31 0.00 96 G 8.58 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 0.00 0.00 0.00 97 R 8.79 5.11 0.00 1.67 1.86 0.00 3.15 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 1.54 1.57 0.00 98 V 8.62 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 0.70 0.00 0.00 0.98 0.00 0.00 99 R 9.03 4.78 0.00 1.92 1.88 0.00 3.02 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 100 G 8.72 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 0.00 0.00 0.00 0.00 101 V 9.33 4.60 2.46 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 1.07 0.00 0.00 1.10 0.00 0.00 102 C 9.02 5.49 0.00 3.17 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 0.00 103 K 9.21 5.42 0.00 1.92 1.98 0.00 1.40 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 104 P 0.00 4.24 0.00 1.54 0.97 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 105 L 8.61 4.48 0.00 1.52 1.69 0.93 1.23 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 0.00 106 H 7.47 4.46 0.00 3.06 2.99 0.00 5.62 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 0.00 107 L 8.14 4.44 0.00 1.30 1.39 0.64 0.26 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 0.00 108 G 8.36 3.91 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 0.00 0.00 0.00 109 S 8.49 4.57 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 0.00 110 R 7.92 4.58 0.00 1.86 1.90 0.00 3.11 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 111 H 8.06 5.44 0.00 3.11 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 9.09 4.97 0.00 2.18 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 113 V 8.44 4.80 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 0.98 0.00 0.00 0.93 0.00 0.00 114 W 9.47 5.20 0.00 3.35 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 0.00 115 Q 9.36 5.06 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 116 I 9.21 5.01 1.91 0.00 0.00 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 1.42 0.55 0.95 0.00 0.00 117 E 8.82 4.75 0.00 1.91 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 2.19 2.30 0.00 118 I 8.90 4.85 1.87 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 1.21 0.95 0.94 0.00 0.00 119 F 9.76 5.44 0.00 2.94 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.75 5.16 0.00 2.79 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 0.00 121 E 8.90 3.96 0.00 2.07 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 0.00 2.57 2.37 0.00 122 K 8.22 4.24 0.00 1.96 1.87 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.39 7.81 123 G 8.75 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 0.00 0.00 0.00 124 R 8.72 4.53 0.00 2.31 1.91 0.00 3.17 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 125 L 8.70 4.17 0.00 1.57 1.57 0.56 0.86 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 0.00 126 C 9.32 4.83 0.00 2.92 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 0.00 127 C 7.58 5.10 0.00 2.98 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 0.00 128 S 8.69 5.28 0.00 3.77 3.60 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 0.00 129 S 9.15 5.16 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 0.00 130 R 9.07 5.24 0.00 1.95 1.86 0.00 3.08 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 131 L 9.24 5.24 0.00 1.79 1.65 1.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 132 T 9.18 5.21 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 1.32 0.00 0.00 133 T 9.22 5.21 4.38 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 1.42 0.00 0.00 134 A 9.05 5.15 1.24 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 0.00 0.00 135 I 8.74 4.69 1.95 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 1.29 0.66 0.93 0.00 0.00 136 L 9.38 4.79 0.00 1.51 1.55 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.70 4.12 0.00 1.92 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 2.29 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.