NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.0476 8.1400 114.8177 57.8840 64.5022 173.9655 2 L 4.1040 8.4642 120.6754 57.5492 41.7166 177.1895 3 L 4.1332 8.4182 119.4299 57.8869 41.6852 178.8862 4 E 4.1006 8.0549 117.8676 59.3759 29.5080 178.9178 5 F 4.7411 8.6369 120.9383 61.4580 39.4945 177.3785 6 G 3.5257 9.1694 106.6155 47.5121 0.0000 175.5943 7 K 4.0236 8.0727 121.4406 59.5961 32.2156 178.7533 8 M 4.0657 8.1873 118.9158 58.5410 31.8192 178.7559 9 I 3.5737 7.7653 119.9020 64.3335 37.2703 178.2911 10 L 4.3200 7.9124 122.3780 57.7853 41.7048 178.8992 11 E 4.0359 8.2883 117.6905 59.0734 29.4430 178.4871 12 E 4.3229 8.3385 117.8859 57.7390 30.0745 177.7083 13 T 4.5253 8.2506 107.6734 60.4865 70.6451 175.4830 14 G 3.7755 7.9580 109.7212 45.8325 0.0000 173.1531 *16 K 4.4931 7.4072 117.6212 56.0360 33.3426 174.7701 17 L 4.3406 8.0794 121.0140 53.8414 42.9545 177.5249 18 A 4.0209 8.8884 126.8220 54.9349 18.3486 177.1552 19 I 4.7271 7.6912 115.4242 59.2667 38.5938 173.8602 20 P 5.2941 0.0000 0.0000 61.9718 32.1414 177.3863 21 S 3.9725 7.7383 116.0257 61.5238 62.7284 174.8030 22 Y 4.5794 8.3145 115.0427 57.4447 38.3677 176.1013 23 S 4.4470 7.9679 114.8228 58.4045 64.1862 175.3487 24 S 4.5066 7.7198 116.0091 58.1892 63.4179 172.1136 25 Y 4.7429 8.1793 122.3533 57.8318 40.2444 175.7238 26 G 3.2508 7.9573 116.7759 46.6662 0.0000 172.8991 27 C 4.4107 8.8435 114.1476 58.5269 40.9022 174.5402 28 Y 4.2696 8.6707 114.9868 57.9704 39.3895 175.4094 29 C 4.6712 8.4806 118.3615 58.8261 40.0906 171.3052 30 G 3.3404 6.8387 117.9089 44.8324 0.0000 171.5639 31 W 4.9701 8.1625 126.4667 54.8927 32.8518 174.6435 32 G 4.2343 9.2003 104.5111 46.1991 0.0000 174.2169 33 G 3.8051 7.2714 106.5647 45.7059 0.0000 173.6568 34 K 4.2763 7.5161 120.8397 56.3837 34.9843 175.6438 35 G 4.2936 9.2059 110.5479 44.5260 0.0000 171.9910 36 T 4.4036 8.0422 115.3230 61.0131 69.6731 173.0815 37 P 4.5483 0.0000 0.0000 63.1367 31.8882 176.7101 38 K 3.9240 9.3497 123.2288 59.0894 32.3404 176.3065 39 D 4.4615 7.1847 115.4174 51.3626 41.8567 174.7972 40 A 3.9972 8.8401 119.5175 56.2388 18.1590 180.0423 41 T 3.9859 7.9927 113.6797 66.8926 68.5796 176.3338 42 D 4.5562 8.9118 120.2631 57.3962 41.1124 178.5349 43 R 4.0246 8.2522 118.9057 59.1564 30.0167 178.2485 44 C 4.2898 8.2247 116.5120 60.3628 41.3290 175.5811 45 C 4.3985 8.3585 117.8119 59.8116 37.2815 175.8369 46 F 3.7107 8.3386 122.3667 61.3060 38.8736 177.3667 47 V 3.2630 8.0307 117.9891 66.0335 31.2575 177.3697 48 H 3.7639 8.0386 117.9828 59.1668 29.5662 176.9980 49 D 4.1651 7.9596 120.6404 57.5740 40.4391 178.1553 50 C 4.0628 7.3486 115.7225 59.8117 34.8887 174.9786 51 C 4.2387 8.1904 120.4566 60.0791 43.5528 175.3471 52 Y 4.3129 7.8755 118.2777 61.0900 37.1820 178.8794 53 G 3.6539 8.0816 105.8557 47.4642 0.0000 174.5663 54 N 4.6804 7.7479 115.8605 53.4302 40.1456 175.3613 55 L 4.7608 7.4970 120.5940 52.5564 41.4264 174.4416 56 P 4.2127 0.0000 0.0000 65.5754 32.3269 178.5324 *59 D 4.7206 7.8337 114.7090 54.3420 42.6486 175.3605 *61 C 5.2995 7.5530 116.1189 57.0769 38.8466 172.4096 *67 N 4.8945 7.9696 116.2560 52.8439 38.4774 172.2461 68 P 4.1390 0.0000 0.0000 64.7950 31.8408 178.7903 69 K 4.0774 7.7995 117.7925 58.6285 32.0904 177.3753 70 S 4.6065 7.9918 109.1954 57.7544 64.1823 173.4145 71 D 4.5401 8.4941 122.7053 54.0729 40.3234 176.0173 72 R 4.5592 8.5797 123.1563 54.3532 31.6157 175.2051 73 Y 4.9465 7.3100 117.4985 55.7521 41.3931 173.7784 74 K 4.9934 8.7196 118.0595 54.8896 35.6548 175.1724 75 Y 5.4019 8.3858 120.0251 55.5079 41.6031 173.6308 76 K 4.6523 9.3294 119.2930 55.4403 37.1030 174.6251 77 R 5.1761 8.5088 118.7904 54.5017 31.9906 176.4215 78 V 4.2359 8.5828 123.7336 61.9922 34.0560 174.6810 79 N 4.2338 9.8383 125.6803 54.7459 37.1026 174.9466 80 G 3.9129 8.5583 102.8210 45.0102 0.0000 173.7559 81 A 4.8606 7.6602 121.6349 49.8319 22.0405 176.3411 82 I 4.4067 8.2801 121.0490 61.3486 38.2003 175.8197 83 V 4.3567 9.1847 126.6207 61.1787 34.3675 173.7955 84 C 4.8930 8.9233 126.2195 56.2923 40.2905 173.6421 85 E 4.2810 8.5500 124.2640 55.8852 30.2816 177.3743 86 K 3.8863 8.6078 123.7148 56.5741 33.2087 175.7614 *88 G 4.2643 8.2960 115.7515 45.3407 0.0000 172.3954 89 T 4.1594 8.9135 112.6335 61.3257 70.8445 175.6394 90 S 4.0906 8.5128 117.4414 62.0928 62.8019 177.7168 91 C 4.2487 8.1135 118.5190 60.0271 39.6684 175.9185 92 E 3.9559 8.1708 120.1051 59.3855 29.0782 179.0798 93 N 4.2070 8.4215 116.8128 56.5796 38.7539 177.7971 94 R 3.8910 8.1431 119.5272 59.1698 30.1173 179.2738 95 I 3.6995 7.8430 119.8622 64.3607 37.0047 177.6153 96 C 3.2993 7.6354 119.2939 59.3998 43.3367 175.5488 97 E 3.7205 7.9816 120.1031 59.3390 29.0226 178.7892 98 C 4.1627 7.8684 116.5722 60.0211 40.8257 175.8523 99 D 3.6080 7.9617 120.4599 56.8318 40.3745 178.6735 100 K 3.7388 8.2108 120.2854 59.4907 32.2319 178.5651 101 A 3.8595 7.8543 120.6952 55.0876 18.1896 179.5418 102 A 3.4257 7.6818 118.6968 55.0057 18.4037 179.6682 103 A 3.6510 7.9730 119.4607 55.3406 18.3409 180.0027 104 I 3.6347 7.7122 118.2834 64.4356 36.9124 177.8040 105 C 4.2029 7.8276 118.5116 59.5911 37.8694 175.3085 106 F 4.6136 8.0982 119.7591 60.6846 38.4597 177.5556 107 R 3.9268 7.9982 118.1851 59.7252 29.7264 178.6124 108 Q 4.1949 8.3731 116.3845 57.8952 28.8133 176.9677 109 N 5.2711 7.5591 115.4485 52.1114 39.1614 176.6053 110 L 4.2137 7.9335 121.4738 57.4321 41.8056 179.1166 111 N 4.4996 8.3138 115.8864 54.8347 37.5046 176.0860 112 T 4.6738 7.7555 107.2200 61.0487 69.4136 173.1993 113 Y 3.9921 7.8283 124.4954 58.0695 39.0960 174.9806 114 S 4.7856 8.9514 122.5606 56.1097 64.5216 174.9562 115 K 4.1517 8.7216 127.2692 58.7441 32.0607 178.9333 116 K 3.9379 7.3560 116.8798 58.9737 32.6599 177.2128 117 Y 4.2518 7.4188 116.7086 58.0468 38.1952 175.3159 118 M 4.5684 7.6548 120.3683 55.8886 32.9328 175.8397 119 L 3.6174 8.4742 120.1032 55.9277 39.8318 174.9294 120 Y 4.1625 7.9532 118.7588 56.3313 39.5399 173.1037 121 P 3.9154 0.0000 0.0000 62.5071 32.1929 176.8365 122 D 4.0125 8.2395 121.5913 57.1591 41.2717 177.9998 *124 F 4.7670 7.8143 110.3778 56.3018 39.4517 175.0420 125 L 4.3662 6.9115 120.4623 55.1947 41.6729 176.0606 126 C 4.8869 8.2983 116.8940 54.7129 38.7646 173.1954 127 K 4.6932 8.2508 123.1316 55.5631 35.4743 176.2274 128 G 4.3158 8.7416 106.5927 46.0190 0.0000 171.8737 129 E 4.8365 8.5133 121.4646 54.0116 31.3402 175.6143 130 L 4.5424 8.3865 128.2288 52.8832 41.6608 175.5938 131 K 4.0785 8.2017 125.1663 56.2709 32.9249 176.5552 *133 C 4.8576 8.5274 115.0397 55.8822 42.9211 173.5950 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 S 8.14 5.05 0.00 4.15 4.13 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 2 L 8.46 4.10 0.00 2.12 1.88 1.14 0.53 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 3 L 8.42 4.13 0.00 1.81 1.72 0.93 0.88 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 4 E 8.05 4.10 0.00 1.78 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 1.73 2.25 0.00 5 F 8.64 4.74 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 6 G 9.17 3.53 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 7 K 8.07 4.02 0.00 2.12 2.24 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.76 1.56 7.81 8 M 8.19 4.07 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.92 0.00 9 I 7.77 3.57 1.82 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.25 0.80 0.00 0.00 10 L 7.91 4.32 0.00 1.77 1.83 0.98 0.70 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 11 E 8.29 4.04 0.00 2.18 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 0.00 2.41 2.67 0.00 12 E 8.34 4.32 0.00 1.91 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 2.46 2.40 0.00 13 T 8.25 4.53 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 1.24 0.00 0.00 14 G 7.96 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 *16 K 7.41 4.49 0.00 1.91 1.64 0.00 1.43 0.00 0.00 0.97 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.43 7.81 17 L 8.08 4.34 0.00 1.77 1.67 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.89 4.02 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 19 I 7.69 4.73 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 1.71 0.84 1.02 0.00 0.00 20 P 0.00 5.29 0.00 2.24 2.32 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 21 S 7.74 3.97 0.00 3.82 3.24 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 22 Y 8.31 4.58 0.00 2.65 2.57 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 23 S 7.97 4.45 0.00 4.11 4.12 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 24 S 7.72 4.51 0.00 4.03 4.12 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 25 Y 8.18 4.74 0.00 2.93 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 26 G 7.96 3.25 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 27 C 8.84 4.41 0.00 2.97 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 28 Y 8.67 4.27 0.00 3.32 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 29 C 8.48 4.67 0.00 3.22 3.35 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 30 G 6.84 3.34 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 0.00 31 W 8.16 4.97 0.00 3.53 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 32 G 9.20 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 33 G 7.27 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 34 K 7.52 4.28 0.00 1.65 1.56 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.56 7.81 35 G 9.21 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 36 T 8.04 4.40 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 1.14 0.00 0.00 37 P 0.00 4.55 0.00 1.90 2.00 0.00 3.41 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 1.37 1.72 0.00 38 K 9.35 3.92 0.00 0.79 0.75 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.11 0.50 7.81 39 D 7.18 4.46 0.00 2.75 2.57 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 40 A 8.84 4.00 1.41 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 0.00 0.00 0.00 41 T 7.99 3.99 4.31 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 0.89 0.00 0.00 42 D 8.91 4.56 0.00 2.85 2.78 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 43 R 8.25 4.02 0.00 2.13 2.00 0.00 3.17 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 44 C 8.22 4.29 0.00 3.55 3.08 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 C 8.36 4.40 0.00 3.33 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 46 F 8.34 3.71 0.00 2.60 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 47 V 8.03 3.26 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 0.89 0.00 0.00 1.01 0.00 0.00 48 H 8.04 3.76 0.00 3.13 3.28 0.00 5.64 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 49 D 7.96 4.17 0.00 2.66 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 50 C 7.35 4.06 0.00 2.75 2.90 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 51 C 8.19 4.24 0.00 2.92 2.97 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 0.00 0.00 0.00 52 Y 7.88 4.31 0.00 3.14 2.84 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 0.00 0.00 0.00 53 G 8.08 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 54 N 7.75 4.68 0.00 2.89 2.84 0.00 0.00 6.80 7.21 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 55 L 7.50 4.76 0.00 1.61 1.53 0.88 1.26 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 56 P 0.00 4.21 0.00 2.17 2.09 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 *59 D 7.83 4.72 0.00 2.71 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 *61 C 7.55 5.30 0.00 3.01 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 *67 N 7.97 4.89 0.00 2.70 2.88 0.00 0.00 7.67 7.71 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 68 P 0.00 4.14 0.00 1.10 0.49 0.00 3.36 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.48 0.00 69 K 7.80 4.08 0.00 1.84 2.07 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 70 S 7.99 4.61 0.00 3.98 3.92 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 71 D 8.49 4.54 0.00 2.73 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 72 R 8.58 4.56 0.00 1.77 1.76 0.00 3.21 0.00 0.00 3.91 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 73 Y 7.31 4.95 0.00 3.05 2.97 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 0.00 0.00 0.00 74 K 8.72 4.99 0.00 1.83 1.80 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.41 7.81 75 Y 8.39 5.40 0.00 3.11 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 76 K 9.33 4.65 0.00 1.78 2.02 0.00 1.29 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.43 7.81 77 R 8.51 5.18 0.00 1.72 1.92 0.00 3.38 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 78 V 8.58 4.24 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 1.05 0.00 0.00 0.95 0.00 0.00 79 N 9.84 4.23 0.00 2.86 2.85 0.00 0.00 7.26 7.98 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 80 G 8.56 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 81 A 7.66 4.86 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 82 I 8.28 4.41 1.83 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 1.27 0.60 0.76 0.00 0.00 83 V 9.18 4.36 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 1.10 0.00 0.00 0.96 0.00 0.00 84 C 8.92 4.89 0.00 2.95 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 85 E 8.55 4.28 0.00 1.98 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 2.39 2.35 0.00 86 K 8.61 3.89 0.00 1.83 1.70 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.50 7.81 *88 G 8.30 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 0.00 0.00 0.00 0.00 89 T 8.91 4.16 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 90 S 8.51 4.09 0.00 3.87 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 91 C 8.11 4.25 0.00 2.95 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 92 E 8.17 3.96 0.00 2.20 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 2.42 2.39 0.00 93 N 8.42 4.21 0.00 2.80 2.81 0.00 0.00 7.08 7.20 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 94 R 8.14 3.89 0.00 1.86 1.92 0.00 3.09 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 95 I 7.84 3.70 1.87 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 0.83 0.97 0.00 0.00 96 C 7.64 3.30 0.00 1.64 2.81 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 97 E 7.98 3.72 0.00 2.07 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 2.42 2.41 0.00 98 C 7.87 4.16 0.00 3.20 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 99 D 7.96 3.61 0.00 2.78 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 0.00 100 K 8.21 3.74 0.00 1.68 1.87 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.36 7.81 101 A 7.85 3.86 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 0.00 102 A 7.68 3.43 0.97 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 0.00 0.00 0.00 0.00 0.00 103 A 7.97 3.65 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 0.00 104 I 7.71 3.63 1.77 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 1.35 0.75 0.87 0.00 0.00 105 C 7.83 4.20 0.00 3.00 3.03 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 0.00 106 F 8.10 4.61 0.00 2.96 2.66 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 0.00 107 R 8.00 3.93 0.00 1.98 2.10 0.00 3.33 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 108 Q 8.37 4.19 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 109 N 7.56 5.27 0.00 2.93 2.86 0.00 0.00 7.18 7.25 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 0.00 110 L 7.93 4.21 0.00 1.73 1.74 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.31 4.50 0.00 2.90 3.11 0.00 0.00 5.80 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 0.00 112 T 7.76 4.67 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 1.26 0.00 0.00 113 Y 7.83 3.99 0.00 2.87 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 0.00 114 S 8.95 4.79 0.00 3.90 3.79 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 0.00 115 K 8.72 4.15 0.00 1.87 1.88 0.00 1.78 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.57 7.81 116 K 7.36 3.94 0.00 1.62 1.71 0.00 1.25 0.00 0.00 1.39 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.66 0.26 7.81 117 Y 7.42 4.25 0.00 1.85 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 0.00 0.00 0.00 0.00 118 M 7.65 4.57 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.71 0.00 119 L 8.47 3.62 0.00 1.78 1.73 0.93 1.15 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 0.00 120 Y 7.95 4.16 0.00 3.00 2.97 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 0.00 0.00 0.00 121 P 0.00 3.92 0.00 1.00 0.87 0.00 2.68 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 1.73 1.78 0.00 122 D 8.24 4.01 0.00 2.66 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 *124 F 7.81 4.77 0.00 3.10 3.20 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 0.00 125 L 6.91 4.37 0.00 1.09 1.58 -0.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.30 4.89 0.00 2.92 3.21 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 0.00 127 K 8.25 4.69 0.00 1.91 1.90 0.00 1.56 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 128 G 8.74 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 0.00 129 E 8.51 4.84 0.00 1.99 1.90 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 2.30 2.40 0.00 130 L 8.39 4.54 0.00 1.63 1.65 0.33 0.75 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 0.00 131 K 8.20 4.08 0.00 1.91 1.77 0.00 1.78 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.58 1.55 7.81 *133 C 8.53 4.86 0.00 3.02 3.23 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 * Residues marked with a * may have inaccurate shift predictions.