NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 3.8056 8.4444 121.3260 55.6098 30.7289 174.7027 3 L 4.2232 8.0742 125.6081 52.5810 44.2371 173.9496 4 A 4.6342 8.6226 129.6677 50.4084 21.2521 174.5512 5 L 4.4141 8.0467 122.9272 54.3300 45.1118 174.6869 6 R 4.1616 8.6122 125.2466 56.2334 30.6490 177.6333 7 G 3.7498 8.8895 113.0877 45.1710 0.0000 173.2713 8 G 3.8796 8.7982 106.7113 45.3533 0.0000 173.2748 9 Y 4.4033 7.6517 116.8494 57.8024 38.9373 175.1817 10 R 4.7073 8.9451 122.1579 54.0485 33.3123 174.9270 11 E 4.5358 8.9506 125.1661 56.4171 30.3025 175.9122 12 R 4.8070 8.7346 125.2573 54.2127 33.9030 175.3433 13 S 4.3992 8.5210 116.0583 57.5754 63.1461 174.7393 14 N 4.7293 8.7259 124.1139 54.7211 37.2507 175.5094 15 Q 4.3371 8.0154 117.4690 57.0929 29.3037 176.1795 16 D 4.6639 7.9671 116.7445 55.1264 41.2582 176.2300 17 D 4.4291 7.6937 118.4285 51.2777 44.1768 173.9447 18 P 4.3744 0.0000 0.0000 65.0908 31.1352 177.9814 19 E 3.8631 8.2259 119.2920 59.1317 29.4790 177.7562 20 Y 4.4168 6.8013 115.7675 61.0235 38.2554 178.0273 21 L 4.2552 7.9730 120.7236 58.0416 42.2437 178.9449 22 E 3.8619 7.9117 114.0467 57.5023 29.3964 178.4407 *24 A 4.3638 8.0921 124.0270 52.7187 20.6424 179.6554 25 H 4.2466 8.4604 112.9940 58.9909 28.1704 177.2625 26 Y 4.1387 8.3742 121.2465 60.8321 38.5436 178.3030 27 A 3.5124 7.9332 120.9311 55.2670 18.6446 179.6379 28 T 3.6396 8.1225 114.5966 66.7100 68.6772 177.2503 29 S 3.9735 7.9063 116.3114 61.5470 62.6267 176.7045 30 T 3.7846 7.3853 118.4392 65.9216 68.5111 176.1768 31 W 4.1954 8.0268 130.6812 60.5214 30.7247 178.2111 32 S 3.4896 8.2208 113.8780 61.1055 62.1713 176.1850 33 A 3.7273 7.5542 122.9609 54.3693 18.1388 178.6351 34 Q 4.0579 7.3652 114.2670 55.5562 29.5263 175.9498 35 Q 3.9604 6.6400 119.9869 54.0228 29.9550 174.2131 36 P 4.1701 0.0000 0.0000 63.6773 31.9311 177.8331 37 G 4.0049 8.7056 109.5460 45.3711 0.0000 173.7227 38 K 4.0988 7.2756 120.3843 56.4541 32.8800 176.2373 39 T 4.4710 8.4991 114.6334 62.1276 71.4554 173.4881 40 H 5.3228 7.9775 116.7598 53.2677 32.6484 173.8286 41 F 4.3334 9.0067 119.8210 57.9724 40.0240 174.9255 42 D 5.2083 9.0472 122.2992 54.5727 42.7369 175.1106 43 T 5.1513 9.1125 114.9269 60.5478 71.9954 172.5263 44 V 4.2432 8.3414 124.1278 61.9898 31.5714 175.6747 45 V 3.9027 8.8612 129.5217 65.6726 32.0521 175.9330 46 E 4.7500 7.7907 119.4950 54.8846 32.9219 174.4566 47 V 4.1207 8.2963 125.9908 62.2529 33.0935 174.8312 *49 K 4.0785 8.3274 124.3045 56.2276 33.8701 174.3313 50 V 4.6653 7.9906 124.6212 61.1260 34.7519 173.9112 51 E 5.3494 9.0911 126.3339 54.8858 33.9210 174.6289 52 T 5.8233 9.2139 112.5291 59.0290 72.9548 172.4352 53 Q 4.5364 8.2034 122.5896 54.6977 32.5375 173.6977 54 T 4.5511 8.3829 121.6130 63.1211 71.7974 171.4829 55 V 3.9541 8.9982 123.4390 62.3920 33.9248 176.0894 56 A 4.3474 8.6483 121.7123 54.1231 20.9216 178.6728 57 G 4.0279 7.7046 101.7201 45.8896 0.0000 171.7661 58 T 5.1691 8.5706 115.3940 61.7449 72.8399 173.3347 59 N 5.2499 8.9321 123.5920 52.5771 40.6062 173.6826 60 Y 4.8399 9.3528 122.2540 56.5288 40.2714 174.9391 61 R 4.8309 9.3296 127.1930 54.9531 31.5987 174.7926 62 L 5.1040 8.8928 127.6710 53.2397 44.4519 175.7343 63 T 4.6957 8.5874 121.3951 62.0539 69.6661 174.1838 64 L 4.9470 8.9351 126.7930 52.6423 45.6532 175.4140 65 K 4.8443 8.8883 124.0221 55.1913 33.8776 175.4437 66 V 5.0815 8.8756 126.7267 61.3888 35.2067 173.8942 67 A 5.1380 8.6392 125.9469 50.1794 23.3041 175.0519 68 E 4.8487 9.0578 120.7384 56.1643 30.1845 177.0784 69 S 4.7380 9.2186 122.9374 57.7852 64.8020 173.9612 70 T 4.4244 7.9780 108.1087 61.6968 68.8618 173.6137 71 C 4.9638 8.4117 121.3040 55.3267 43.2119 173.5142 72 E 4.4249 8.5865 124.1193 55.9586 29.7406 178.0901 73 L 3.2449 8.1210 122.0735 57.2405 41.6671 178.6626 74 T 4.1032 7.7800 107.3083 62.5661 69.2697 174.4881 75 S 4.7317 7.8019 117.1768 56.8587 65.0705 173.5336 76 T 4.2769 8.2016 117.7734 62.6698 68.7868 174.5212 77 Y 3.6108 8.3529 128.1585 57.3513 39.4654 174.5033 78 N 4.6449 7.5802 124.5970 51.1188 41.5107 174.4684 79 K 3.5030 8.6740 125.8366 59.6069 32.4852 177.2449 80 D 4.7635 7.8949 116.4523 52.9037 39.3221 176.6017 81 T 4.5589 7.6923 111.3227 61.9936 68.8902 173.2706 82 C 4.9980 7.6268 117.6673 57.0224 39.5498 174.1969 83 Q 4.2438 7.9318 117.5149 55.7778 29.1506 176.0454 84 A 4.5975 8.2706 123.6034 51.5884 19.7385 177.5041 85 N 4.5458 8.5264 118.1448 52.7852 39.3696 176.4987 86 A 4.0482 8.6301 124.5704 55.0570 18.5530 178.2537 87 N 4.6140 8.0375 110.2894 53.0603 38.0753 175.2717 88 A 4.1290 7.7030 122.7317 51.5734 19.0981 177.4688 89 A 4.0897 8.5401 124.7110 52.6354 18.9986 177.0050 90 Q 5.1286 8.4950 121.6673 54.3241 31.2688 175.1077 91 R 4.7468 8.8146 117.7090 55.0083 33.9525 173.7480 92 T 4.7928 8.3419 116.4903 62.9348 70.2324 174.5928 93 C 5.2239 9.1377 123.7090 55.2184 45.4618 173.0264 94 T 4.8682 8.4658 118.9925 61.8820 71.1717 173.0354 95 T 4.7640 8.5543 120.4924 60.0448 71.2345 172.5118 96 V 4.8708 8.5315 127.6546 61.4150 33.9850 174.1487 97 I 4.9624 8.9902 130.0151 60.1503 39.1946 174.0486 98 Y 5.1273 9.0602 129.2740 56.1453 40.6073 173.9889 99 R 4.8507 8.4927 127.9662 54.1939 32.8687 174.5020 100 N 4.5979 8.6601 128.3394 53.1809 35.9525 176.6718 *102 Q 4.2561 9.1865 111.9237 55.3967 30.0836 175.8195 103 G 3.8847 8.5611 106.2331 45.3922 0.0000 173.1677 104 E 4.5453 8.8007 120.9085 54.9573 30.8173 175.5994 105 K 5.3156 8.5668 123.6641 55.4660 35.4777 175.2341 106 S 4.9502 8.9649 114.9833 57.2288 67.2619 173.1128 107 I 4.6082 8.4199 121.6583 60.3009 36.6706 175.3683 108 N 4.7584 9.2633 128.2065 56.3090 39.5948 175.3234 109 S 4.8317 7.9591 111.0146 57.1802 66.8139 173.6374 110 F 4.6691 8.5924 123.9922 57.3126 41.6525 173.1187 111 E 4.6934 8.6821 126.0515 54.6648 33.1432 174.1962 112 C 5.2671 8.6980 121.1107 54.8422 42.5803 173.7974 113 A 4.4070 8.8469 125.6965 51.2600 18.8271 177.4518 114 A 4.0525 8.5136 122.6609 51.8515 19.2788 177.8790 115 A 4.2834 8.4475 121.9385 52.5519 18.4534 177.8247 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 2 E 8.44 3.81 0.00 1.77 1.71 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 2.08 2.21 0.00 3 L 8.07 4.22 0.00 1.76 1.69 0.99 0.64 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 4 A 8.62 4.63 1.19 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 5 L 8.05 4.41 0.00 1.48 1.40 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.61 4.16 0.00 1.84 1.87 0.00 3.32 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 7 G 8.89 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 8 G 8.80 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 0.00 0.00 0.00 9 Y 7.65 4.40 0.00 2.88 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 10 R 8.95 4.71 0.00 1.73 1.81 0.00 3.12 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 11 E 8.95 4.54 0.00 1.96 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 2.26 2.50 0.00 12 R 8.73 4.81 0.00 1.37 1.84 0.00 3.49 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 13 S 8.52 4.40 0.00 3.88 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 14 N 8.73 4.73 0.00 2.93 2.93 0.00 0.00 6.15 7.39 0.00 0.00 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 Q 8.02 4.34 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 16 D 7.97 4.66 0.00 3.00 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 17 D 7.69 4.43 0.00 2.42 1.58 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 18 P 0.00 4.37 0.00 2.26 2.26 0.00 3.65 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 1.99 1.97 0.00 19 E 8.23 3.86 0.00 1.83 1.63 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 2.12 2.20 0.00 20 Y 6.80 4.42 0.00 3.06 2.93 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 0.00 0.00 0.00 21 L 7.97 4.26 0.00 1.83 1.88 1.01 1.04 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 22 E 7.91 3.86 0.00 2.25 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 2.33 2.43 0.00 *24 A 8.09 4.36 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 25 H 8.46 4.25 0.00 3.50 3.60 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.37 4.14 0.00 3.07 3.13 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 27 A 7.93 3.51 1.48 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 0.00 0.00 28 T 8.12 3.64 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 1.37 0.00 0.00 29 S 7.91 3.97 0.00 3.04 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 30 T 7.39 3.78 3.93 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 0.00 0.00 1.13 0.00 0.00 31 W 8.03 4.20 0.00 2.73 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 0.00 0.00 0.00 0.00 32 S 8.22 3.49 0.00 4.06 4.34 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 33 A 7.55 3.73 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 34 Q 7.37 4.06 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 35 Q 6.64 3.96 0.00 1.68 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 36 P 0.00 4.17 0.00 2.11 1.89 0.00 3.50 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 37 G 8.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.28 4.10 0.00 1.69 1.59 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.41 7.81 39 T 8.50 4.47 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 40 H 7.98 5.32 0.00 3.13 3.37 0.00 5.90 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.01 4.33 0.00 3.22 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 42 D 9.05 5.21 0.00 2.86 2.77 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 43 T 9.11 5.15 4.53 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 1.47 0.00 0.00 44 V 8.34 4.24 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 0.81 0.00 0.00 0.84 0.00 0.00 45 V 8.86 3.90 2.23 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 0.77 0.00 0.00 0.97 0.00 0.00 46 E 7.79 4.75 0.00 2.05 1.70 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 2.28 2.31 0.00 47 V 8.30 4.12 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 0.79 0.00 0.00 0.97 0.00 0.00 *49 K 8.33 4.08 0.00 1.84 1.60 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.55 7.81 50 V 7.99 4.67 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 0.02 0.00 0.00 0.61 0.00 0.00 51 E 9.09 5.35 0.00 1.65 1.79 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 2.14 2.09 0.00 52 T 9.21 5.82 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 1.35 0.00 0.00 53 Q 8.20 4.54 0.00 1.21 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 1.91 1.59 0.00 54 T 8.38 4.55 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 1.20 0.00 0.00 55 V 9.00 3.95 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 0.78 0.00 0.00 0.89 0.00 0.00 56 A 8.65 4.35 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 57 G 7.70 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 0.00 0.00 0.00 58 T 8.57 5.17 3.99 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 0.43 0.00 0.00 59 N 8.93 5.25 0.00 2.58 2.95 0.00 0.00 6.63 7.91 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 60 Y 9.35 4.84 0.00 2.98 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 61 R 9.33 4.83 0.00 1.52 1.33 0.00 2.76 0.00 0.00 2.73 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.00 62 L 8.89 5.10 0.00 1.54 1.50 1.01 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.59 4.70 4.14 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 1.11 0.00 0.00 64 L 8.94 4.95 0.00 1.38 1.47 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.89 4.84 0.00 1.84 1.66 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81 66 V 8.88 5.08 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 1.11 0.00 0.00 0.97 0.00 0.00 67 A 8.64 5.14 1.32 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 68 E 9.06 4.85 0.00 2.04 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 2.31 2.22 0.00 69 S 9.22 4.74 0.00 4.32 4.14 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 70 T 7.98 4.42 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 1.30 0.00 0.00 71 C 8.41 4.96 0.00 3.23 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 72 E 8.59 4.42 0.00 2.01 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 0.00 2.08 2.23 0.00 73 L 8.12 3.24 0.00 1.38 1.37 0.68 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.78 4.10 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 1.17 0.00 0.00 75 S 7.80 4.73 0.00 4.06 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 76 T 8.20 4.28 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 77 Y 8.35 3.61 0.00 1.43 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 0.00 0.00 0.00 0.00 78 N 7.58 4.64 0.00 2.54 2.38 0.00 0.00 6.95 6.03 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 79 K 8.67 3.50 0.00 1.50 1.71 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.32 7.81 80 D 7.89 4.76 0.00 2.76 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 81 T 7.69 4.56 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 1.09 0.00 0.00 82 C 7.63 5.00 0.00 2.60 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 83 Q 7.93 4.24 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.09 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 84 A 8.27 4.60 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 85 N 8.53 4.55 0.00 2.78 2.83 0.00 0.00 6.91 7.35 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 86 A 8.63 4.05 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 87 N 8.04 4.61 0.00 2.85 2.94 0.00 0.00 6.00 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 88 A 7.70 4.13 1.32 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 89 A 8.54 4.09 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 90 Q 8.49 5.13 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 91 R 8.81 4.75 0.00 2.00 1.97 0.00 2.95 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 92 T 8.34 4.79 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 1.16 0.00 0.00 93 C 9.14 5.22 0.00 2.37 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 0.00 0.00 0.00 0.00 94 T 8.47 4.87 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 1.03 0.00 0.00 95 T 8.55 4.76 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 1.21 0.00 0.00 96 V 8.53 4.87 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 1.10 0.00 0.00 0.96 0.00 0.00 97 I 8.99 4.96 2.16 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 1.23 0.00 0.00 98 Y 9.06 5.13 0.00 3.30 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 99 R 8.49 4.85 0.00 1.93 1.80 0.00 3.20 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 100 N 8.66 4.60 0.00 3.06 2.37 0.00 0.00 6.25 7.38 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 *102 Q 9.19 4.26 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 103 G 8.56 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 0.00 0.00 0.00 104 E 8.80 4.55 0.00 2.03 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 2.28 2.24 0.00 105 K 8.57 5.32 0.00 1.75 1.71 0.00 1.25 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.07 1.10 7.81 106 S 8.96 4.95 0.00 4.03 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 0.00 107 I 8.42 4.61 1.96 0.00 0.00 0.55 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 0.66 1.11 0.00 0.00 108 N 9.26 4.76 0.00 2.87 3.10 0.00 0.00 7.00 7.15 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 0.00 109 S 7.96 4.83 0.00 3.91 3.93 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 0.00 0.00 0.00 110 F 8.59 4.67 0.00 2.92 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 0.00 111 E 8.68 4.69 0.00 1.76 1.70 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 2.21 2.21 0.00 112 C 8.70 5.27 0.00 2.82 2.93 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 0.00 0.00 0.00 113 A 8.85 4.41 1.18 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 0.00 114 A 8.51 4.05 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 0.00 115 A 8.45 4.28 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 * Residues marked with a * may have inaccurate shift predictions.