NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 5.0662 8.4104 110.3331 61.5137 69.5312 172.5274 4 A 4.2343 7.5236 123.7105 53.1026 23.7843 175.5469 5 Y 4.5130 8.5040 112.6594 58.2461 39.0904 174.4089 6 D 4.6743 7.9039 120.6428 55.2918 41.5087 178.4011 7 V 3.8273 7.6703 119.2679 64.9564 33.0484 175.6987 8 I 4.3344 7.6517 120.8035 60.8917 37.3848 174.8422 9 L 4.7013 9.2834 126.9691 55.8451 42.9335 176.6109 10 A 5.0734 7.9561 117.4526 49.6338 23.4674 172.4468 11 P 4.7744 0.0000 0.0000 62.2791 32.6927 176.4259 12 V 3.8068 8.0329 122.5956 62.0818 32.2569 176.1943 13 L 4.4299 8.6846 128.8239 53.0617 41.4578 175.9999 14 S 4.4186 6.8226 116.9823 55.3007 67.4229 174.3073 15 E 3.9023 8.6553 122.3307 59.9309 28.9482 179.8382 16 K 4.0039 7.7517 117.4780 59.0606 32.5964 178.4509 17 A 4.0838 7.4408 121.0324 55.3227 18.2778 178.9039 18 Y 2.7373 7.2715 114.9412 61.5303 36.3338 179.4457 19 A 3.9532 8.3530 121.9154 55.1323 18.1251 179.7654 20 G 3.8539 8.7714 104.0600 47.1607 0.0000 176.0073 21 F 4.2861 9.1070 119.9082 61.0258 39.0369 176.8665 22 A 4.0278 7.0235 121.3451 54.7372 18.9730 177.4079 23 E 4.6348 7.5832 118.0830 54.8205 30.5953 175.2876 24 G 4.1903 9.4042 108.1151 46.2805 0.0000 171.7092 25 K 4.7310 6.8851 125.1040 50.6005 37.2492 171.3847 26 Y 5.0171 7.7431 114.2767 55.9650 41.8093 173.5354 27 T 4.5612 8.5538 112.1251 60.7270 70.4032 173.9583 28 F 5.0309 8.5057 125.2346 54.9561 43.0792 174.6530 29 W 4.6071 8.5717 121.1746 57.7141 29.7348 175.9617 30 V 4.8795 7.9019 125.6309 60.9520 33.6719 173.8141 31 H 4.4925 8.8361 120.3209 55.2517 30.1008 173.9694 32 P 4.2503 0.0000 0.0000 65.1036 31.8767 177.1170 33 K 4.5063 7.9072 120.0681 57.3506 33.8292 177.0304 34 A 3.7787 8.5940 121.7701 53.5687 16.3732 177.9673 35 T 4.0174 8.8252 117.2844 65.7111 68.0442 175.2949 36 K 4.6333 7.1217 118.7630 54.5698 33.9487 176.4226 37 T 3.8684 8.7013 119.6371 65.6700 69.0766 173.5517 38 E 4.8810 7.8927 121.5883 56.5216 29.9093 178.0364 39 I 3.9288 7.6314 113.9701 63.3120 38.0339 175.3602 40 K 3.5708 7.9635 118.6007 61.0578 31.6669 177.4635 41 N 4.8300 8.0963 119.7773 52.7353 37.9172 175.6606 42 A 4.2996 9.9037 122.5786 54.9656 21.3373 179.5336 43 V 3.5627 8.2224 115.7397 65.9274 32.1735 177.9681 44 E 3.9875 8.3805 120.5308 59.2663 29.6402 178.2357 45 T 4.3057 6.9464 105.6445 61.1255 69.3132 174.9897 46 A 4.5874 7.5036 122.0493 54.0161 24.2695 177.5382 47 F 4.9018 7.7353 113.7623 57.9847 40.7966 176.5171 48 K 4.0512 7.9496 116.1456 57.2991 28.5316 172.8155 49 V 4.6513 7.6451 113.9961 59.5843 37.0718 175.9855 50 K 4.7079 8.4036 122.1772 54.7224 34.2625 174.9441 51 V 4.2082 9.1974 128.9666 62.8439 31.7285 175.7998 52 V 4.3036 8.1760 125.9078 62.7118 33.2639 175.1592 53 K 4.2696 7.4469 117.4848 56.1246 35.4943 173.4128 54 V 4.8653 8.6612 127.2997 61.2469 33.3549 174.2137 55 N 5.2998 9.2705 125.2341 51.8618 41.7684 173.7328 56 T 5.2713 8.2249 109.6916 60.4931 72.1985 172.9413 57 L 4.8400 8.9181 121.9150 53.8735 46.6880 175.4733 58 H 5.2487 8.8204 118.8609 54.8987 31.0044 176.4379 59 V 4.4714 9.3072 117.1087 61.0975 37.2648 180.3668 60 R 3.1037 9.0662 121.6061 57.0233 29.0820 174.7654 61 G 4.1143 8.0560 110.6308 45.6987 0.0000 172.2578 62 K 3.8917 8.4911 119.1907 57.4436 32.6268 176.5093 63 K 4.8160 8.3723 124.7745 54.8330 36.2820 174.4297 64 K 4.7492 8.2112 120.4719 56.0649 35.0900 176.0498 65 R 4.2499 8.7534 124.8691 56.8430 32.9052 173.0958 66 L 4.3152 9.1918 130.5074 55.0071 41.3083 175.2166 67 G 4.0505 7.3126 101.3405 44.7959 0.0000 176.3180 68 R 4.9415 8.9618 120.1045 57.6565 32.5388 168.5003 69 Y 3.4896 8.4448 123.0087 58.0063 37.5939 168.9801 70 L 4.7682 8.4206 125.2874 53.4945 46.0422 178.3742 71 G 3.7390 8.0992 110.9351 46.3904 0.0000 172.6024 72 K 4.4209 7.7008 118.8423 55.4274 35.2286 175.7265 73 R 4.9679 7.9755 113.9884 55.2225 31.2822 172.0353 74 P 4.3677 0.0000 0.0000 62.5229 31.5076 175.4260 75 D 4.6936 8.8672 125.0167 54.9756 42.6198 175.3764 76 R 4.7367 9.6870 118.9887 55.8824 33.4250 172.7838 77 K 4.4276 8.5338 116.3880 55.1889 34.0510 174.4340 78 K 4.4849 7.9663 117.8011 56.7369 33.7530 176.0113 79 A 4.7645 8.1033 125.7050 51.2777 19.5387 177.1096 80 I 3.9829 9.3407 123.8376 61.7463 39.4525 173.0603 81 V 3.9168 7.8381 127.6718 60.5806 32.2891 171.3242 82 Q 3.9439 9.0968 125.8989 55.7759 29.4138 176.8109 83 V 3.5168 8.0786 113.8412 65.0644 31.6457 174.7354 84 A 4.3187 9.3545 131.1242 52.6303 15.4002 177.8981 85 P 4.2075 0.0000 0.0000 65.0794 31.5039 176.7840 86 G 4.0482 7.6121 108.9806 45.0942 0.0000 173.0837 87 Q 4.5637 7.7637 122.9387 54.1560 31.8914 174.3401 88 K 3.4514 9.6026 117.5690 58.3766 31.3004 176.4072 89 I 3.4875 8.4160 121.0699 61.5428 35.2973 175.1059 90 E 4.0028 7.5720 119.5578 59.3042 29.5535 177.8394 91 A 4.1521 7.8736 119.5909 53.4808 18.7736 177.0542 92 L 4.2974 7.4444 116.9134 54.6211 43.2081 176.5504 93 E 3.4434 9.6680 123.5756 57.0594 27.3533 172.7032 94 G 3.4242 7.2138 109.8140 46.9637 0.0000 173.6136 *95 L 4.1219 7.8706 123.8230 53.7105 41.6291 179.0158 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 5.07 4.22 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 1.20 0.00 0.00 4 A 7.52 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.50 4.51 0.00 2.94 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 6 D 7.90 4.67 0.00 2.69 2.71 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 7 V 7.67 3.83 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 0.95 0.00 0.00 0.87 0.00 0.00 8 I 7.65 4.33 1.85 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 1.01 0.27 0.87 0.00 0.00 9 L 9.28 4.70 0.00 1.88 1.79 1.06 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.96 5.07 1.52 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 11 P 0.00 4.77 0.00 2.11 2.16 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 12 V 8.03 3.81 1.86 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 0.45 0.00 0.00 -0.77 0.00 0.00 13 L 8.68 4.43 0.00 1.72 1.75 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.82 4.42 0.00 3.84 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 15 E 8.66 3.90 0.00 2.01 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 2.40 2.47 0.00 16 K 7.75 4.00 0.00 1.68 1.73 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.46 7.81 17 A 7.44 4.08 1.17 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 18 Y 7.27 2.74 0.00 2.87 2.38 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 19 A 8.35 3.95 1.33 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 20 G 8.77 3.85 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 0.00 0.00 0.00 21 F 9.11 4.29 0.00 2.84 3.06 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 0.00 0.00 0.00 22 A 7.02 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 23 E 7.58 4.63 0.00 1.97 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 2.25 2.29 0.00 24 G 9.40 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 25 K 6.89 4.73 0.00 1.73 2.03 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.13 1.39 7.81 26 Y 7.74 5.02 0.00 3.14 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 27 T 8.55 4.56 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 1.18 0.00 0.00 28 F 8.51 5.03 0.00 2.95 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 8.57 4.61 0.00 3.59 3.19 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 0.00 0.00 0.00 30 V 7.90 4.88 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 0.96 0.00 0.00 1.02 0.00 0.00 31 H 8.84 4.49 0.00 3.22 3.19 0.00 6.02 0.00 0.00 0.00 0.00 6.85 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 4.25 0.00 2.14 2.10 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 33 K 7.91 4.51 0.00 1.95 1.94 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.45 7.81 34 A 8.59 3.78 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 35 T 8.83 4.02 4.65 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 1.30 0.00 0.00 36 K 7.12 4.63 0.00 2.04 1.93 0.00 1.47 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.57 7.81 37 T 8.70 3.87 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 7.89 4.88 0.00 1.93 1.92 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 2.29 2.36 0.00 39 I 7.63 3.93 1.81 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 0.73 0.98 0.00 0.00 40 K 7.96 3.57 0.00 1.85 1.89 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 41 N 8.10 4.83 0.00 2.84 2.86 0.00 0.00 5.69 7.26 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 42 A 9.90 4.30 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 43 V 8.22 3.56 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 0.92 0.00 0.00 0.36 0.00 0.00 44 E 8.38 3.99 0.00 2.17 1.78 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 2.36 2.65 0.00 45 T 6.95 4.31 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 1.17 0.00 0.00 46 A 7.50 4.59 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 47 F 7.74 4.90 0.00 3.12 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 48 K 7.95 4.05 0.00 1.88 2.08 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.48 7.81 49 V 7.65 4.65 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 0.73 0.00 0.00 1.08 0.00 0.00 50 K 8.40 4.71 0.00 1.81 1.65 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.39 7.81 51 V 9.20 4.21 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 0.75 0.00 0.00 0.92 0.00 0.00 52 V 8.18 4.30 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 0.83 0.00 0.00 0.99 0.00 0.00 53 K 7.45 4.27 0.00 1.82 1.58 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.35 7.81 54 V 8.66 4.87 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 0.87 0.00 0.00 0.97 0.00 0.00 55 N 9.27 5.30 0.00 2.65 2.67 0.00 0.00 6.14 6.68 0.00 0.00 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 8.22 5.27 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 57 L 8.92 4.84 0.00 1.66 1.58 0.96 1.30 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 58 H 8.82 5.25 0.00 3.09 3.30 0.00 5.69 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 59 V 9.31 4.47 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 0.84 0.00 0.00 1.23 0.00 0.00 60 R 9.07 3.10 0.00 1.92 2.27 0.00 3.25 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.72 0.00 61 G 8.06 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 62 K 8.49 3.89 0.00 1.50 1.62 0.00 1.46 0.00 0.00 1.31 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 1.15 7.81 63 K 8.37 4.82 0.00 1.65 1.70 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.37 7.81 64 K 8.21 4.75 0.00 1.68 1.60 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.42 7.81 65 R 8.75 4.25 0.00 1.75 1.74 0.00 3.52 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 66 L 9.19 4.32 0.00 1.87 1.86 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.31 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.96 4.94 0.00 1.51 1.80 0.00 2.38 0.00 0.00 3.74 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 69 Y 8.44 3.49 0.00 3.12 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 70 L 8.42 4.77 0.00 1.54 1.66 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.10 3.74 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 0.00 0.00 0.00 72 K 7.70 4.42 0.00 1.80 1.65 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 1.41 7.81 73 R 7.98 4.97 0.00 2.09 2.18 0.00 3.03 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 74 P 0.00 4.37 0.00 2.07 1.92 0.00 3.96 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 1.46 1.47 0.00 75 D 8.87 4.69 0.00 2.86 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 76 R 9.69 4.74 0.00 1.72 2.23 0.00 2.59 0.00 0.00 2.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 77 K 8.53 4.43 0.00 1.74 2.30 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.10 7.81 78 K 7.97 4.48 0.00 2.06 1.90 0.00 1.24 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.42 7.81 79 A 8.10 4.76 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 80 I 9.34 3.98 1.88 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 1.29 1.23 0.93 0.00 0.00 81 V 7.84 3.92 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 0.71 0.00 0.00 0.94 0.00 0.00 82 Q 9.10 3.94 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 83 V 8.08 3.52 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 0.75 0.00 0.00 0.94 0.00 0.00 84 A 9.35 4.32 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 85 P 0.00 4.21 0.00 2.06 2.16 0.00 4.06 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 86 G 7.61 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 7.76 4.56 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 5.89 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 88 K 9.60 3.45 0.00 2.04 1.86 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.56 7.81 89 I 8.42 3.49 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 0.90 0.00 0.00 90 E 7.57 4.00 0.00 1.95 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 2.41 2.49 0.00 91 A 7.87 4.15 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 92 L 7.44 4.30 0.00 1.67 1.61 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 93 E 9.67 3.44 0.00 1.97 1.81 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 2.20 2.02 0.00 94 G 7.21 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.12 0.00 1.42 1.50 0.92 0.71 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.