NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4859 8.1749 117.3743 63.6761 70.0808 172.9315 2 T 4.5830 8.9822 121.1547 60.0288 71.8609 171.4624 3 I 5.1331 9.2703 120.9227 59.2683 41.2040 174.6766 4 V 4.6569 8.8861 116.7766 59.8440 36.5707 174.5008 5 G 4.5226 8.5330 108.1794 44.7363 0.0000 172.2636 6 V 4.6014 9.1726 124.1486 61.0892 34.8602 174.5468 7 K 4.7382 8.8398 127.3919 55.7529 33.6269 175.8521 8 F 5.0975 8.1638 117.3117 54.3599 41.2723 175.2716 9 N 4.2509 9.1390 117.9547 55.8629 36.6458 174.9644 10 N 4.9861 8.1411 114.5194 52.0653 40.8964 174.5564 11 G 3.5684 6.2837 104.4488 45.1868 0.0000 172.8071 12 V 4.8732 7.8039 120.8804 60.4783 34.3606 174.4119 13 V 4.8111 9.2781 122.6450 60.0109 34.7936 174.3780 14 I 5.2081 8.2926 114.2980 59.5062 40.8561 173.7868 15 A 4.8797 8.7757 124.2669 51.0583 23.2077 174.3679 16 A 5.5413 8.4761 118.8242 52.3098 22.3233 175.7248 17 D 4.7984 8.5092 119.7541 52.3398 41.8554 176.3776 18 T 4.8774 8.1174 105.8948 60.4243 70.4828 172.7923 19 R 4.6305 8.2750 122.9375 56.0238 31.0287 175.3719 20 S 5.0069 9.0663 121.8757 56.8214 64.8595 172.7952 21 T 5.3954 8.3515 115.4784 60.4895 72.4259 173.6180 22 Q 4.2396 9.0201 120.5285 56.0965 30.8856 174.5396 23 G 4.0378 8.6380 114.4304 45.3467 0.0000 171.4009 24 P 4.6892 0.0000 0.0000 62.6018 31.9335 175.2944 25 I 4.2654 7.2521 120.6536 59.7449 38.5490 175.2448 26 V 4.0989 8.2825 124.7692 62.4621 31.2020 175.6062 27 A 4.1145 8.8561 131.6084 54.5850 18.5951 177.0084 28 D 4.8461 7.7765 114.4535 52.5003 43.7862 176.0275 29 K 4.2338 8.7058 124.5828 57.8365 33.1885 176.7666 30 N 5.2363 8.5812 117.4595 52.8907 38.0589 173.7074 31 C 4.6153 8.6850 116.4482 57.4800 32.6122 174.3203 32 A 4.6733 8.4837 122.8200 51.3425 19.1110 177.1834 33 K 4.3753 8.7783 120.9322 56.3535 33.8314 175.6354 34 L 5.1109 7.7587 121.1007 53.6208 42.9073 175.4258 35 H 4.9333 10.1667 122.0975 53.7977 31.7948 173.6326 36 R 3.3180 7.9874 122.7075 55.0544 30.8224 175.6331 37 I 4.0245 8.1805 126.6244 62.6126 38.2730 175.5809 38 S 4.6172 7.1958 112.2102 55.7189 66.1587 172.5096 39 P 4.3398 0.0000 0.0000 65.2543 31.1500 177.7283 40 K 4.7208 8.0329 113.5333 55.8624 32.7768 175.0765 41 I 4.7940 7.9031 120.7377 59.7014 39.7156 174.7534 42 W 5.1280 9.0385 126.7054 54.9754 32.1736 174.7282 43 C 5.4564 10.0110 121.8751 57.7084 34.8996 172.3209 44 A 5.1574 9.1199 127.3528 50.2134 20.8449 175.6357 45 G 4.6316 9.0592 109.8034 44.4435 0.0000 172.1173 46 A 4.8322 9.7250 123.7236 50.1278 22.8766 174.6529 47 G 4.1682 9.0422 102.9111 44.6658 0.0000 176.1919 48 T 4.0263 9.5090 123.7241 63.0413 68.5651 174.7677 49 A 4.0080 9.0559 129.4972 55.5638 18.1794 178.9614 50 A 3.9758 7.9769 118.3091 55.2755 18.3938 179.4826 51 D 4.2345 7.9168 117.2421 57.7090 41.0086 178.8920 52 T 3.7982 8.0258 110.3787 64.7358 68.5527 176.1909 53 E 3.7291 8.0786 121.5132 58.7172 29.6308 178.6708 54 A 3.9045 8.2257 121.3374 55.2653 18.6557 180.1109 55 V 3.4892 7.9347 117.8259 65.0948 31.2515 178.4120 56 T 3.8119 7.6963 113.3836 64.7999 67.1299 176.1052 57 Q 3.9920 7.7137 119.9214 57.9933 28.9174 177.9203 58 L 3.8384 7.9421 121.5442 58.3882 42.1982 179.1955 59 I 3.7660 7.6669 119.6019 64.0737 36.9056 178.6197 60 G 3.5604 7.6540 106.7174 47.8265 0.0000 175.4959 61 S 4.0578 8.4391 116.2544 61.2963 62.3481 176.1263 62 N 4.3781 8.2589 118.9954 56.2177 38.1167 177.5641 63 I 3.6802 8.2679 121.7318 64.1980 37.2043 177.9961 64 E 3.9124 8.3698 120.2930 59.3686 29.5245 178.8729 65 L 4.0379 7.9065 119.0028 58.1119 41.6902 179.0324 66 H 4.1576 8.5877 118.4983 59.0867 29.7774 177.2973 67 S 4.1115 8.3917 115.1937 61.4886 62.0797 176.1391 68 L 4.0231 7.7913 120.2314 58.0542 41.4222 178.6714 69 Y 4.0624 8.1145 118.8158 59.9292 38.8496 176.9499 70 T 4.4207 7.9805 107.8009 60.4708 69.7020 174.4624 71 S 3.7815 8.1344 116.5718 59.8444 61.1664 172.0927 72 R 4.7772 7.7116 115.6974 53.9747 33.7730 175.3738 73 E 4.2133 8.5075 119.1325 55.5811 30.1771 175.6274 74 P 4.4780 0.0000 0.0000 62.6477 32.3232 176.0141 75 R 4.8322 8.1604 119.8086 54.3424 32.4949 177.6243 76 V 3.5957 9.2234 121.7607 66.3822 31.4689 178.9919 77 V 3.7455 7.7639 111.1148 63.8265 31.2708 178.4892 78 S 4.1178 8.1607 115.4370 61.2670 62.8459 176.2704 79 A 3.9411 7.9010 123.0074 54.9779 18.1430 179.3270 80 L 3.9000 8.0180 118.9466 58.3211 42.2204 179.0395 81 Q 3.9655 8.0633 119.5920 59.3305 28.9384 177.9913 82 M 4.0547 8.2791 119.9927 58.2214 31.9061 178.7040 83 L 3.9834 8.0207 119.3220 57.7938 41.9191 179.8230 84 K 4.0239 8.1500 118.6533 60.1231 32.6013 179.1083 85 Q 4.1270 8.1957 119.0834 58.4781 28.5532 178.0631 86 H 4.2713 8.1425 119.2894 59.3748 29.8236 177.2340 87 L 4.0486 8.0670 119.6626 57.8238 41.7247 179.0266 88 F 4.1280 8.4386 120.5710 61.0885 39.1123 176.9504 89 K 3.8629 7.9031 117.9527 59.4655 32.1235 177.2191 90 Y 4.1965 7.7266 115.1407 57.4445 38.1381 175.9137 91 Q 2.8356 7.6593 117.9646 56.8560 26.8766 176.4264 *93 G 4.0893 7.7728 107.2575 45.5980 0.0000 175.2419 94 H 4.0586 8.6459 116.7087 57.8578 28.7594 175.5813 95 I 4.1837 6.9374 120.5450 59.6338 36.7779 176.7822 96 G 4.0233 8.8309 118.2824 45.7812 0.0000 170.6600 97 A 5.0556 7.3276 120.0452 50.4263 21.9019 177.3026 98 Y 4.4831 9.0767 120.0367 56.3226 40.8908 174.7173 99 L 5.3300 8.6647 123.4858 52.8598 45.6057 176.7630 100 I 4.5259 8.9559 122.7867 59.7329 39.5787 174.6559 101 V 4.7756 8.4133 127.0258 60.0896 33.0931 175.0561 102 A 4.8367 10.0462 126.2383 49.2057 23.2347 174.7648 103 G 4.6271 7.6496 108.0221 45.0534 0.0000 172.2217 104 V 4.5313 7.8002 113.2137 59.4338 34.5233 176.1342 105 D 4.2965 8.4315 121.7803 53.7869 39.1836 175.0074 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 T 8.17 4.49 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 2 T 8.98 4.58 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 1.21 0.00 0.00 3 I 9.27 5.13 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.95 0.00 0.00 4 V 8.89 4.66 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 0.95 0.00 0.00 5 G 8.53 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.17 4.60 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 1.03 0.00 0.00 0.96 0.00 0.00 7 K 8.84 4.74 0.00 1.68 1.65 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.37 7.81 8 F 8.16 5.10 0.00 3.18 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 9 N 9.14 4.25 0.00 2.90 3.13 0.00 0.00 5.69 8.04 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 10 N 8.14 4.99 0.00 2.73 2.98 0.00 0.00 6.79 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 11 G 6.28 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 12 V 7.80 4.87 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 0.68 0.00 0.00 1.00 0.00 0.00 13 V 9.28 4.81 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 1.06 0.00 0.00 0.94 0.00 0.00 14 I 8.29 5.21 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.97 0.00 0.00 15 A 8.78 4.88 1.22 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 0.00 0.00 0.00 0.00 0.00 16 A 8.48 5.54 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 17 D 8.51 4.80 0.00 2.69 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 18 T 8.12 4.88 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 1.22 0.00 0.00 19 R 8.27 4.63 0.00 1.88 2.05 0.00 3.22 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 20 S 9.07 5.01 0.00 3.92 3.87 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 0.00 0.00 0.00 21 T 8.35 5.40 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 1.21 0.00 0.00 22 Q 9.02 4.24 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.52 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 23 G 8.64 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 24 P 0.00 4.69 0.00 2.18 2.14 0.00 3.75 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 1.94 1.97 0.00 25 I 7.25 4.27 1.87 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 1.18 0.85 0.91 0.00 0.00 26 V 8.28 4.10 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 0.85 0.00 0.00 0.93 0.00 0.00 27 A 8.86 4.11 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 28 D 7.78 4.85 0.00 2.67 2.48 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 29 K 8.71 4.23 0.00 1.79 1.84 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.42 7.81 30 N 8.58 5.24 0.00 2.69 2.69 0.00 0.00 7.14 7.19 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 31 C 8.69 4.62 0.00 3.06 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 32 A 8.48 4.67 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 33 K 8.78 4.38 0.00 1.73 2.03 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.46 7.81 34 L 7.76 5.11 0.00 1.58 1.85 0.98 1.05 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 35 H 10.17 4.93 0.00 3.03 3.09 0.00 5.60 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 36 R 7.99 3.32 0.00 0.67 1.14 0.00 3.07 0.00 0.00 2.89 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 37 I 8.18 4.02 1.96 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 1.27 0.62 0.85 0.00 0.00 38 S 7.20 4.62 0.00 3.92 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 39 P 0.00 4.34 0.00 2.13 2.26 0.00 3.64 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 2.06 2.15 0.00 40 K 8.03 4.72 0.00 1.92 1.92 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 41 I 7.90 4.79 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 1.01 0.00 0.00 42 W 9.04 5.13 0.00 3.31 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 43 C 10.01 5.46 0.00 2.85 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 44 A 9.12 5.16 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 45 G 9.06 4.63 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 0.00 0.00 0.00 46 A 9.72 4.83 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 47 G 9.04 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 0.00 0.00 0.00 0.00 48 T 9.51 4.03 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 1.25 0.00 0.00 49 A 9.06 4.01 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 50 A 7.98 3.98 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 51 D 7.92 4.23 0.00 2.91 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 52 T 8.03 3.80 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 1.32 0.00 0.00 53 E 8.08 3.73 0.00 2.14 2.12 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 2.30 2.34 0.00 54 A 8.23 3.90 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 55 V 7.93 3.49 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 0.74 0.00 0.00 0.92 0.00 0.00 56 T 7.70 3.81 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 1.11 0.00 0.00 57 Q 7.71 3.99 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 58 L 7.94 3.84 0.00 1.77 1.69 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.67 3.77 1.94 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 1.41 0.32 0.87 0.00 0.00 60 G 7.65 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 61 S 8.44 4.06 0.00 3.87 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 62 N 8.26 4.38 0.00 2.86 2.82 0.00 0.00 7.11 6.84 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 63 I 8.27 3.68 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 0.90 0.00 0.00 64 E 8.37 3.91 0.00 2.01 2.12 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 2.31 2.35 0.00 65 L 7.91 4.04 0.00 1.94 1.73 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.59 4.16 0.00 3.24 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.39 4.11 0.00 4.03 4.07 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 68 L 7.79 4.02 0.00 1.87 1.75 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.11 4.06 0.00 3.09 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 70 T 7.98 4.42 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 1.21 0.00 0.00 71 S 8.13 3.78 0.00 4.02 3.96 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 72 R 7.71 4.78 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 73 E 8.51 4.21 0.00 1.98 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 2.33 2.29 0.00 74 P 0.00 4.48 0.00 2.05 1.99 0.00 3.67 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 2.04 2.13 0.00 75 R 8.16 4.83 0.00 1.85 1.87 0.00 3.15 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 9.22 3.60 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 1.05 0.00 0.00 1.04 0.00 0.00 77 V 7.76 3.75 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 0.78 0.00 0.00 0.93 0.00 0.00 78 S 8.16 4.12 0.00 3.98 3.80 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 79 A 7.90 3.94 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 80 L 8.02 3.90 0.00 1.89 1.84 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.06 3.97 0.00 2.38 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 82 M 8.28 4.05 0.00 2.06 2.06 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 2.74 2.53 0.00 83 L 8.02 3.98 0.00 1.89 1.72 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.15 4.02 0.00 2.02 2.14 0.00 1.26 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.55 7.81 85 Q 8.20 4.13 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 86 H 8.14 4.27 0.00 3.40 3.54 0.00 5.79 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 87 L 8.07 4.05 0.00 1.69 1.72 0.87 1.11 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 88 F 8.44 4.13 0.00 3.31 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 89 K 7.90 3.86 0.00 2.01 1.98 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.98 1.33 7.81 90 Y 7.73 4.20 0.00 2.97 2.92 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 91 Q 7.66 2.84 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.40 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 *93 G 7.77 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 94 H 8.65 4.06 0.00 3.31 3.41 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.94 4.18 1.77 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.23 0.80 0.00 0.00 96 G 8.83 4.02 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 0.00 0.00 0.00 97 A 7.33 5.06 1.13 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 0.00 0.00 98 Y 9.08 4.48 0.00 3.10 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 99 L 8.66 5.33 0.00 1.51 1.58 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.96 4.53 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.96 0.00 0.00 101 V 8.41 4.78 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 0.96 0.00 0.00 102 A 10.05 4.84 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 0.00 103 G 7.65 4.63 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 0.00 0.00 0.00 104 V 7.80 4.53 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 0.72 0.00 0.00 0.96 0.00 0.00 105 D 8.43 4.30 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.