NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 5.1571 8.4104 110.3392 62.1279 68.7961 172.2385 4 A 4.3020 8.0877 128.8418 52.8602 24.6989 175.4068 5 Y 4.6974 8.8144 113.3618 57.9677 39.3634 174.4073 6 D 4.8277 7.9183 121.6404 55.1539 42.9638 178.8448 7 V 3.6483 7.7805 119.1671 65.7782 32.7097 176.2651 8 I 4.2598 7.7483 120.5754 61.2373 37.1521 175.6588 9 L 4.7432 8.7326 126.4529 55.8794 43.8823 176.3176 10 A 4.6901 7.7380 117.8463 50.7894 22.2210 173.8655 11 P 4.5746 0.0000 0.0000 62.6668 32.1883 177.3962 12 V 3.1105 7.7875 115.2401 64.4549 31.4921 175.2898 13 L 3.4790 8.2284 123.2405 53.7359 37.7769 173.4595 14 S 4.2703 6.2889 113.0683 55.8673 64.8420 176.7853 15 E 3.5989 7.7739 120.1674 59.6394 29.2063 178.9559 16 K 3.6078 7.8106 120.3530 59.6807 32.6682 178.2029 17 A 3.7443 7.5121 120.5951 55.3029 18.0830 179.3220 18 Y 2.7564 6.7918 114.0319 60.7382 37.9489 178.1114 19 A 4.0787 7.4349 119.6040 53.9718 18.4876 178.0202 20 G 3.7556 7.0960 103.9971 45.5067 0.0000 176.2521 21 F 3.9694 8.5279 119.7751 60.3301 39.2159 176.3798 22 A 4.1169 8.2686 122.6898 55.2516 18.0691 177.6859 23 E 4.4498 7.6796 113.9783 55.2977 30.8760 177.6726 24 G 4.1845 8.3776 106.1173 46.5795 0.0000 173.9173 25 K 5.0449 8.8258 123.0182 54.9244 32.6922 175.9054 26 Y 4.7582 8.8078 123.5726 56.1588 40.8000 174.8962 27 T 5.0103 8.3014 118.1996 60.3133 70.3156 172.6616 28 F 5.1903 9.3319 126.3000 55.2785 43.7682 173.8874 29 W 5.2409 9.2118 120.9583 56.5627 30.1820 176.3429 30 V 5.0782 9.0091 117.0959 59.2659 35.9501 174.6627 31 H 4.1859 9.1181 122.4438 56.3769 29.8588 174.0884 32 P 4.3076 0.0000 0.0000 65.6786 30.8502 176.9193 33 K 4.2685 7.4101 114.8751 55.9666 32.5366 176.5094 34 A 4.9486 8.4707 123.3293 51.8373 18.8847 178.4251 35 T 4.4148 8.3684 112.9130 60.6054 72.0106 176.3326 36 K 3.9883 8.3573 119.9008 59.7601 31.9095 179.8264 37 T 3.8775 7.8201 115.6811 66.4246 68.5507 176.1632 38 E 3.8761 8.5242 121.5912 59.4785 29.7309 178.7955 39 I 3.6770 7.9170 119.9518 65.0171 37.0615 177.2182 40 K 3.8487 8.1436 119.5471 59.0495 31.7698 177.7670 41 N 4.1656 8.3041 118.0197 56.1748 38.7204 177.3530 42 A 3.8707 7.3986 121.0796 55.1950 19.1087 179.8321 43 V 3.7498 7.8106 110.7830 64.1921 31.4932 178.5791 44 E 4.2585 8.5944 120.4861 58.8312 29.3120 179.7183 45 T 4.2559 7.8064 107.8602 61.6023 69.1139 175.2472 46 A 4.8542 7.9346 122.6813 53.4696 22.8458 177.4908 47 F 4.6448 8.2859 111.3909 55.9391 40.9535 175.1857 48 K 4.0779 8.0906 118.8152 57.5241 29.7787 175.1041 49 V 4.4640 7.1352 110.7095 59.6963 34.4668 174.3315 50 K 4.9220 8.8936 122.1636 54.9252 33.9509 174.8493 51 V 4.6717 8.4658 127.9249 61.9065 31.9833 175.7973 52 V 4.3137 9.1577 127.8538 62.1736 33.0714 175.8003 53 K 4.5803 7.5989 120.7465 55.3977 35.4872 174.1516 54 V 4.9239 8.3583 125.0937 61.2537 34.7045 174.1094 55 N 5.2815 9.3827 124.5879 51.6807 42.1318 173.5206 56 T 5.2795 8.1277 111.8366 59.9876 72.8076 172.8454 57 L 4.4366 8.0917 117.7761 55.3559 43.7722 174.0155 58 H 4.8055 9.1221 119.5353 56.0483 30.2165 175.6889 59 V 4.3344 9.0409 120.1391 60.4777 33.1620 173.0888 60 R 4.4428 8.2364 125.3801 55.6442 30.3997 175.8332 61 G 3.8593 8.9320 113.8905 45.4620 0.0000 173.2114 62 K 4.3209 8.7516 124.8253 56.2884 33.5047 176.0483 63 K 4.6974 8.6664 124.6598 55.7081 33.7402 176.1093 64 K 4.5931 8.0277 122.2138 55.3252 35.6737 174.8957 65 R 4.8897 8.2182 118.6765 54.8025 33.5710 174.4934 66 L 4.5290 8.7703 125.3605 54.2978 44.4927 176.0106 67 G 4.2290 8.6094 118.1208 46.6132 0.0000 173.6696 68 R 3.9976 8.5222 119.8093 56.4523 30.2089 176.2915 69 Y 4.2865 7.5292 118.4752 56.6461 37.3944 174.1138 70 L 4.7598 8.2522 127.1398 54.2021 42.9368 176.4141 71 G 4.2080 8.4643 111.9853 46.3477 0.0000 171.4146 72 K 4.8284 8.3339 118.4121 55.6653 35.1336 176.2722 73 R 4.2580 8.8579 122.1757 55.3679 31.3072 174.4727 74 P 4.3807 0.0000 0.0000 63.0039 32.0740 175.8371 75 D 4.6370 8.6473 121.7075 54.7389 42.4808 175.4599 76 R 4.9196 8.4892 120.0000 54.5650 35.0190 173.9087 77 K 5.1569 8.5450 119.7335 55.3839 35.7049 174.8541 78 K 5.2833 9.4206 126.4586 55.0454 35.6589 174.7812 79 A 5.1945 8.7760 123.8404 50.2667 22.4053 174.6239 80 I 4.7965 9.2385 122.8324 59.3604 40.6377 174.8709 81 V 4.8042 9.3460 123.0389 59.9687 34.4923 174.9230 82 Q 4.7823 9.3494 125.3116 54.5827 30.7100 175.1739 83 V 4.4961 8.8281 120.6802 60.4076 32.4959 176.4703 84 A 4.2600 9.1573 125.8177 51.3841 19.4723 175.5410 85 P 4.1199 0.0000 0.0000 64.8576 31.7236 175.0364 86 G 4.2926 9.1045 112.5431 46.0225 0.0000 173.7434 87 Q 4.2163 7.1579 116.6283 55.4663 29.2346 175.9219 88 K 4.3747 7.6674 112.7252 56.7297 34.2904 174.6524 89 I 3.6959 7.4099 124.8059 61.2324 37.5842 175.7133 90 E 4.0109 9.0625 125.5433 59.4830 29.7961 179.0176 91 A 3.9809 7.9851 120.1664 55.1942 18.4816 177.5401 92 L 4.5467 7.7451 114.0053 55.0639 42.1664 176.0526 93 E 4.3287 8.8193 119.5513 55.7237 29.7671 173.6480 94 G 3.5037 8.4263 119.5066 45.9443 0.0000 173.9334 *95 L 4.1219 7.5632 126.0701 53.5699 41.6291 178.9269 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 T 8.41 5.16 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 1.22 0.00 0.00 4 A 8.09 4.30 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 5 Y 8.81 4.70 0.00 2.95 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 6 D 7.92 4.83 0.00 2.69 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 7 V 7.78 3.65 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 1.05 0.00 0.00 0.92 0.00 0.00 8 I 7.75 4.26 1.97 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 1.14 0.21 1.04 0.00 0.00 9 L 8.73 4.74 0.00 1.85 1.83 1.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.74 4.69 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 11 P 0.00 4.57 0.00 2.15 2.13 0.00 3.95 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 2.10 2.12 0.00 12 V 7.79 3.11 1.62 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 -0.39 0.00 0.00 0.58 0.00 0.00 13 L 8.23 3.48 0.00 1.85 1.87 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.29 4.27 0.00 3.78 3.70 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 15 E 7.77 3.60 0.00 2.05 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 2.37 2.46 0.00 16 K 7.81 3.61 0.00 1.66 1.68 0.00 1.77 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.42 7.81 17 A 7.51 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 6.79 2.76 0.00 2.89 2.62 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 19 A 7.43 4.08 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 20 G 7.10 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.53 3.97 0.00 2.91 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 22 A 8.27 4.12 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 23 E 7.68 4.45 0.00 2.02 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 2.28 2.21 0.00 24 G 8.38 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 0.00 0.00 0.00 0.00 25 K 8.83 5.04 0.00 1.63 1.70 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.51 7.81 26 Y 8.81 4.76 0.00 3.09 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 27 T 8.30 5.01 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 0.96 0.00 0.00 28 F 9.33 5.19 0.00 2.94 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 29 W 9.21 5.24 0.00 3.37 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 30 V 9.01 5.08 2.33 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 0.81 0.00 0.00 1.00 0.00 0.00 31 H 9.12 4.19 0.00 3.28 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.31 0.00 2.20 2.21 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 1.78 2.00 0.00 33 K 7.41 4.27 0.00 1.73 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.37 7.81 34 A 8.47 4.95 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 35 T 8.37 4.41 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 36 K 8.36 3.99 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.53 7.81 37 T 7.82 3.88 4.24 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 1.20 0.00 0.00 38 E 8.52 3.88 0.00 2.00 2.19 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 2.30 2.33 0.00 39 I 7.92 3.68 1.97 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 1.71 0.79 0.85 0.00 0.00 40 K 8.14 3.85 0.00 1.94 1.88 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 41 N 8.30 4.17 0.00 2.72 2.84 0.00 0.00 7.12 8.73 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 42 A 7.40 3.87 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.81 3.75 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 0.38 0.00 0.00 0.96 0.00 0.00 44 E 8.59 4.26 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 45 T 7.81 4.26 4.17 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 1.22 0.00 0.00 46 A 7.93 4.85 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.29 4.64 0.00 3.16 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 48 K 8.09 4.08 0.00 1.91 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.40 1.54 7.81 49 V 7.14 4.46 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 0.95 0.00 0.00 0.89 0.00 0.00 50 K 8.89 4.92 0.00 1.78 1.66 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.50 7.81 51 V 8.47 4.67 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 0.91 0.00 0.00 0.90 0.00 0.00 52 V 9.16 4.31 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 0.80 0.00 0.00 0.94 0.00 0.00 53 K 7.60 4.58 0.00 1.83 1.64 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.42 7.81 54 V 8.36 4.92 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 0.88 0.00 0.00 0.93 0.00 0.00 55 N 9.38 5.28 0.00 2.64 2.64 0.00 0.00 6.26 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 56 T 8.13 5.28 4.24 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 1.22 0.00 0.00 57 L 8.09 4.44 0.00 1.71 1.77 1.00 1.20 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 58 H 9.12 4.81 0.00 3.11 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.04 4.33 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 1.03 0.00 0.00 1.21 0.00 0.00 60 R 8.24 4.44 0.00 1.88 1.88 0.00 3.12 0.00 0.00 2.25 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 61 G 8.93 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 0.00 0.00 0.00 62 K 8.75 4.32 0.00 1.71 1.74 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.44 7.81 63 K 8.67 4.70 0.00 2.01 1.84 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.42 7.81 64 K 8.03 4.59 0.00 1.84 1.99 0.00 1.27 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.37 7.81 65 R 8.22 4.89 0.00 1.79 1.78 0.00 3.30 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 66 L 8.77 4.53 0.00 1.66 1.54 0.98 1.07 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 67 G 8.61 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 0.00 0.00 0.00 0.00 68 R 8.52 4.00 0.00 1.65 1.87 0.00 2.86 0.00 0.00 2.96 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 69 Y 7.53 4.29 0.00 3.27 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 70 L 8.25 4.76 0.00 1.59 1.55 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.46 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 72 K 8.33 4.83 0.00 1.70 1.74 0.00 1.46 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.51 7.81 73 R 8.86 4.26 0.00 1.70 1.83 0.00 3.25 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 74 P 0.00 4.38 0.00 2.01 2.01 0.00 3.69 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 1.88 1.93 0.00 75 D 8.65 4.64 0.00 2.69 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 76 R 8.49 4.92 0.00 1.37 1.48 0.00 2.92 0.00 0.00 2.72 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.33 0.00 77 K 8.54 5.16 0.00 1.74 1.80 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.46 7.81 78 K 9.42 5.28 0.00 1.59 1.44 0.00 0.76 0.00 0.00 0.86 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.22 7.81 79 A 8.78 5.19 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 80 I 9.24 4.80 1.81 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 1.22 1.95 0.88 0.00 0.00 81 V 9.35 4.80 2.13 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 0.67 0.00 0.00 1.28 0.00 0.00 82 Q 9.35 4.78 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 83 V 8.83 4.50 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 0.68 0.00 0.00 1.21 0.00 0.00 84 A 9.16 4.26 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 85 P 0.00 4.12 0.00 2.20 2.11 0.00 3.78 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 2.01 2.01 0.00 86 G 9.10 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 0.00 0.00 0.00 0.00 87 Q 7.16 4.22 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 88 K 7.67 4.37 0.00 1.90 1.86 0.00 1.22 0.00 0.00 0.97 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.43 7.81 89 I 7.41 3.70 0.56 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.05 0.86 0.00 0.00 90 E 9.06 4.01 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 91 A 7.99 3.98 1.44 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 0.00 0.00 92 L 7.75 4.55 0.00 1.46 1.43 0.59 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.82 4.33 0.00 1.94 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 2.44 2.35 0.00 94 G 8.43 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.