NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7905 8.2827 119.2048 53.0392 40.2678 174.7605 2 L 4.0007 8.6210 127.2113 57.7015 41.8287 177.4165 3 Q 3.8181 8.9045 120.3184 58.9053 29.4550 177.4159 4 Q 4.1155 8.6688 119.7857 58.4089 28.8002 178.0912 5 F 4.4009 8.2451 121.9454 61.2000 39.6120 177.2961 6 K 3.6915 8.1778 118.3385 59.6192 31.8376 179.1166 7 N 4.5451 7.9265 116.5202 56.4785 38.4170 177.4476 8 M 4.1408 8.1819 120.2363 58.2474 31.9134 178.8108 9 I 3.6490 7.5718 120.3183 64.3136 37.1532 178.0744 10 Q 4.3463 7.5406 114.7650 57.9385 29.0610 177.1541 11 C 5.1516 8.3063 122.5091 59.6080 43.6343 175.0841 12 A 4.3511 7.6002 122.0873 52.1146 18.5787 176.8762 13 G 4.1388 7.9286 105.5593 43.9229 0.0000 173.6798 *15 T 4.6503 8.1149 107.1122 61.4404 70.5119 174.4242 *17 R 3.9817 7.8915 117.9056 55.9668 31.3877 175.1384 18 T 4.5489 7.8003 111.3157 59.7528 70.9659 175.5966 19 W 4.5251 8.8073 117.8624 59.5631 28.6003 178.4921 20 T 3.0250 6.4245 108.9204 63.7160 68.2465 176.3714 21 A 3.7313 7.3510 124.2274 54.5725 18.2864 177.5772 22 Y 4.6333 7.3568 111.0597 57.9172 38.3160 176.7976 23 I 4.0687 7.6077 122.6466 63.7411 37.6202 176.2867 24 N 5.1296 7.9655 116.8134 52.4684 37.5155 172.9017 25 Y 4.4285 7.7395 117.3264 57.6853 41.7036 175.8792 26 G 3.6904 7.3004 115.0767 47.1283 0.0000 172.8500 27 C 4.5390 9.4266 115.2266 57.6204 41.1002 174.4325 28 Y 4.5745 9.0037 114.7752 57.3963 38.2289 174.8217 29 C 4.5958 8.2127 119.6489 57.5991 40.5263 172.1352 30 G 3.8223 8.9565 110.1584 43.5691 0.0000 173.1064 31 K 4.0190 8.4327 120.3784 59.5653 30.7318 175.1617 32 G 3.8006 8.7493 111.4705 44.0530 0.0000 171.5105 33 G 3.7432 7.6754 103.0282 45.3343 0.0000 173.2354 34 S 4.5712 7.4398 119.0741 57.6389 67.2156 175.7457 35 G 3.9107 8.6446 110.9347 45.2132 0.0000 172.6858 36 T 4.5249 8.1498 108.2318 58.9778 70.6637 172.7235 37 P 4.6464 0.0000 0.0000 63.2457 31.8142 177.2481 38 V 3.8137 8.7389 116.2095 63.8750 32.0791 175.1889 39 D 4.6701 7.6326 117.1277 50.8856 42.2914 175.3327 40 K 3.8564 8.9281 118.6871 59.8032 31.9047 178.1552 41 L 3.9600 7.9570 119.8308 58.4672 42.0843 178.2924 42 D 4.6005 8.8291 117.8851 57.3314 41.0319 178.2854 43 R 3.8905 8.2289 119.5081 59.4166 30.0514 177.6326 44 C 4.3308 8.4824 116.5826 60.6433 41.0679 175.6501 45 C 4.4587 8.6019 117.8354 60.1545 34.1240 175.6503 46 Y 3.9663 8.2199 121.2424 60.9977 38.2747 178.1725 47 T 3.7226 8.2263 116.6354 66.8973 68.6505 175.8401 48 H 3.7419 8.3258 120.0778 59.5358 29.8399 176.5082 49 D 4.1946 8.2277 119.5610 57.8379 40.9857 178.1136 50 H 4.1640 7.8152 116.0575 58.4959 28.6283 177.0618 51 C 4.3271 8.2196 120.9004 59.8775 43.2510 175.2208 52 Y 4.1724 7.8342 117.1511 60.9906 37.5922 177.4858 53 N 4.4345 8.0874 117.5565 57.2474 39.0012 176.8575 54 Q 3.9874 8.5114 118.9902 58.7812 28.6568 178.5496 55 A 3.6225 8.1380 121.9293 55.4698 18.1181 179.2327 56 D 4.4276 7.6172 116.0817 57.6665 40.9620 178.7582 57 S 4.2600 7.8439 112.7692 58.6385 63.0963 173.8262 58 I 4.2700 7.2416 124.6410 58.3493 38.6236 173.4578 59 P 4.1573 0.0000 0.0000 64.3577 31.5320 176.2456 60 G 3.9321 8.6734 111.0390 46.8166 0.0000 173.6012 61 C 4.7552 7.9130 118.8986 54.1529 46.6804 172.3932 62 N 4.8862 8.4413 125.5007 50.7576 40.4687 172.5927 63 P 3.8097 0.0000 0.0000 65.5318 31.0564 177.0403 64 N 4.5602 7.9150 114.6079 54.8510 39.2613 176.6935 65 I 3.8150 7.8870 118.0070 63.6431 37.6288 175.8346 66 K 3.6823 7.5824 121.2524 57.1900 31.8966 175.5314 67 T 4.3723 8.4377 123.5743 62.1981 69.4730 173.7008 68 Y 4.9760 7.6429 125.6463 55.1789 40.8286 174.1868 69 S 5.1194 8.6097 114.9179 57.3707 65.3153 173.2105 70 Y 5.1708 8.2497 120.7130 56.5255 40.7163 173.4849 71 T 4.4510 8.8335 114.5324 60.3268 71.3050 171.5132 72 C 5.4686 8.7619 126.8030 55.1665 44.1224 174.2804 73 T 4.3757 8.4455 124.1803 62.5561 68.1184 171.7331 74 Q 3.7301 6.9481 122.1557 54.6141 28.7491 175.1888 75 P 5.6143 0.0000 0.0000 61.9872 32.1227 174.2440 76 N 4.9138 8.7754 117.5392 52.7980 39.8077 173.9840 77 I 5.0728 8.2438 122.4370 59.8631 40.1451 175.0147 78 T 4.5623 8.8940 122.9194 61.9462 71.8042 172.6317 79 C 4.7511 8.9574 125.2428 56.4050 40.1232 173.7768 80 T 4.0899 8.4460 114.8088 62.4230 69.3217 175.6399 81 R 4.2112 7.9666 122.4395 56.6481 30.9606 175.1401 82 T 4.3922 8.5213 117.0387 65.2824 70.8872 175.4766 83 A 4.0351 8.0449 122.1466 54.7728 18.8121 177.5525 84 D 4.5940 7.8742 115.9724 52.7338 40.3990 175.9783 85 A 4.0544 8.4157 128.2812 55.2028 18.3903 179.5458 86 C 4.1938 8.2215 115.9242 59.6730 44.8580 175.4236 87 A 4.0507 9.3254 123.3730 55.0590 18.1026 179.3753 88 K 3.7645 8.5396 118.4881 59.6377 32.2682 178.6711 89 F 3.9507 8.5285 121.1146 61.2414 39.3555 176.8565 90 L 3.9479 8.2744 120.1506 58.2759 41.8650 178.0472 91 C 2.9908 7.8159 118.5300 59.0523 41.4110 175.0537 92 D 4.0535 7.6385 119.4331 57.3416 40.7906 177.2698 93 C 3.8958 7.6493 116.9641 60.3997 39.9023 176.1185 94 D 3.8733 7.8173 120.0043 57.1131 40.2914 178.8991 95 R 3.7935 8.2030 119.6766 59.5587 30.0723 178.4624 96 T 3.7234 8.0942 115.7158 66.6307 68.4008 176.1444 97 A 3.4306 7.8075 121.9435 54.9347 18.4917 179.1257 98 A 3.8034 7.9897 119.3445 55.5753 18.3963 179.9409 99 I 3.6375 7.8297 118.0345 64.6137 37.2205 177.8003 100 C 4.2381 8.4749 119.6792 59.9021 43.2299 175.6314 101 F 4.2710 8.7624 118.7443 60.5869 38.4484 177.2229 102 A 4.2732 7.7575 119.3203 55.1944 18.4130 179.5553 103 S 4.2507 8.0594 112.2049 59.9657 63.3763 174.9980 104 A 4.3461 7.3253 124.3777 50.7596 19.0119 175.4525 105 P 4.4297 0.0000 0.0000 62.6282 32.2770 175.7235 106 Y 4.1575 8.3801 121.4426 56.1862 38.5879 175.3739 107 N 4.7755 8.5923 127.3530 51.4312 37.8342 176.3293 108 I 3.4445 8.3125 117.9606 63.2935 37.8277 178.4718 109 N 4.3746 8.1432 117.6542 55.6627 38.7106 175.2461 110 N 4.5688 8.9454 115.7953 52.7021 38.7623 174.1545 111 I 3.9399 7.0391 119.5101 61.6462 38.5648 175.8075 112 M 3.0872 8.0662 123.9783 56.6898 29.2090 176.8056 113 I 4.4209 6.8292 109.2748 60.0295 39.9777 178.1612 114 S 3.8523 8.2216 115.9308 61.6442 62.0773 175.0008 115 A 4.2473 7.7873 119.1064 52.5952 18.8645 177.1861 116 S 4.4803 8.1802 112.5654 57.0303 64.0925 174.6864 117 N 4.6222 8.4525 116.1576 54.2793 37.0995 176.3031 118 S 4.2390 7.9144 115.8824 61.4432 62.9948 174.3639 119 C 4.8430 7.6784 115.9075 56.7694 40.3081 173.8098 120 Q 4.1656 8.0192 124.6131 56.2914 28.4148 175.9507 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 N 8.28 4.79 0.00 2.65 2.77 0.00 0.00 6.70 5.78 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 2 L 8.62 4.00 0.00 1.95 1.66 1.20 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.90 3.82 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 4 Q 8.67 4.12 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 5 F 8.25 4.40 0.00 3.41 3.28 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 6 K 8.18 3.69 0.00 1.72 1.47 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.52 1.22 7.81 7 N 7.93 4.55 0.00 2.88 3.02 0.00 0.00 7.06 7.47 0.00 0.00 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 M 8.18 4.14 0.00 2.03 2.27 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 2.21 2.39 0.00 9 I 7.57 3.65 2.05 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.10 1.16 0.00 0.00 10 Q 7.54 4.35 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 11 C 8.31 5.15 0.00 3.24 3.31 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 12 A 7.60 4.35 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 13 G 7.93 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 0.00 0.00 0.00 *15 T 8.11 4.65 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 *17 R 7.89 3.98 0.00 1.87 1.67 0.00 2.23 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.40 0.00 18 T 7.80 4.55 4.27 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 1.20 0.00 0.00 19 W 8.81 4.53 0.00 3.67 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 20 T 6.42 3.03 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 21 A 7.35 3.73 0.70 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 0.00 0.00 22 Y 7.36 4.63 0.00 3.01 2.83 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 0.00 0.00 0.00 23 I 7.61 4.07 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.93 0.00 0.00 24 N 7.97 5.13 0.00 2.82 2.96 0.00 0.00 5.75 7.57 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 25 Y 7.74 4.43 0.00 2.90 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 26 G 7.30 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.43 4.54 0.00 3.24 3.10 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 0.00 0.00 0.00 28 Y 9.00 4.57 0.00 3.32 3.16 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 29 C 8.21 4.60 0.00 3.33 3.41 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 30 G 8.96 3.82 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 0.00 0.00 0.00 31 K 8.43 4.02 0.00 1.81 1.84 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.43 7.81 32 G 8.75 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 0.00 0.00 0.00 33 G 7.68 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 34 S 7.44 4.57 0.00 3.70 3.68 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 0.00 0.00 0.00 0.00 35 G 8.64 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 36 T 8.15 4.52 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 1.22 0.00 0.00 37 P 0.00 4.65 0.00 1.89 1.93 0.00 3.32 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.30 0.00 38 V 8.74 3.81 2.05 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 0.70 0.00 0.00 0.95 0.00 0.00 39 D 7.63 4.67 0.00 2.82 2.79 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 40 K 8.93 3.86 0.00 1.87 1.90 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.54 7.81 41 L 7.96 3.96 0.00 1.84 1.58 0.62 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.83 4.60 0.00 3.21 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 43 R 8.23 3.89 0.00 2.17 2.14 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 44 C 8.48 4.33 0.00 3.65 3.44 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 45 C 8.60 4.46 0.00 3.42 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 46 Y 8.22 3.97 0.00 2.78 3.01 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 0.00 0.00 0.00 0.00 47 T 8.23 3.72 4.39 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 0.00 0.00 0.00 1.15 0.00 0.00 48 H 8.33 3.74 0.00 2.93 3.19 0.00 5.59 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 49 D 8.23 4.19 0.00 3.08 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 50 H 7.82 4.16 0.00 3.25 3.40 0.00 5.87 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 51 C 8.22 4.33 0.00 3.01 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 52 Y 7.83 4.17 0.00 2.92 2.94 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 53 N 8.09 4.43 0.00 2.96 3.07 0.00 0.00 7.26 6.14 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 54 Q 8.51 3.99 0.00 2.59 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 55 A 8.14 3.62 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 56 D 7.62 4.43 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 57 S 7.84 4.26 0.00 3.86 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 58 I 7.24 4.27 1.78 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.89 0.80 0.00 0.00 59 P 0.00 4.16 0.00 2.00 1.98 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 60 G 8.67 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 0.00 0.00 0.00 61 C 7.91 4.76 0.00 2.86 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 62 N 8.44 4.89 0.00 2.66 2.57 0.00 0.00 6.89 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 63 P 0.00 3.81 0.00 0.63 1.41 0.00 3.68 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 64 N 7.91 4.56 0.00 2.86 2.91 0.00 0.00 7.04 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 65 I 7.89 3.82 1.83 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 1.28 0.45 0.89 0.00 0.00 66 K 7.58 3.68 0.00 1.96 1.85 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.63 7.81 67 T 8.44 4.37 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 1.14 0.00 0.00 68 Y 7.64 4.98 0.00 3.09 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 69 S 8.61 5.12 0.00 3.88 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 70 Y 8.25 5.17 0.00 3.17 3.14 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 71 T 8.83 4.45 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 1.28 0.00 0.00 72 C 8.76 5.47 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.45 4.38 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 74 Q 6.95 3.73 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 75 P 0.00 5.61 0.00 2.27 2.25 0.00 3.91 0.00 0.00 3.74 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 76 N 8.78 4.91 0.00 2.82 2.78 0.00 0.00 6.84 5.21 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 77 I 8.24 5.07 1.89 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 1.45 0.66 0.96 0.00 0.00 78 T 8.89 4.56 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 1.24 0.00 0.00 79 C 8.96 4.75 0.00 2.81 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 80 T 8.45 4.09 4.27 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 1.25 0.00 0.00 81 R 7.97 4.21 0.00 1.85 1.95 0.00 3.38 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 82 T 8.52 4.39 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 83 A 8.04 4.04 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 84 D 7.87 4.59 0.00 2.75 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 85 A 8.42 4.05 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 86 C 8.22 4.19 0.00 2.97 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 87 A 9.33 4.05 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.54 3.76 0.00 1.88 2.04 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.56 7.81 89 F 8.53 3.95 0.00 3.24 3.16 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 90 L 8.27 3.95 0.00 2.09 1.70 0.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 91 C 7.82 2.99 0.00 1.94 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 92 D 7.64 4.05 0.00 2.66 2.52 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 93 C 7.65 3.90 0.00 3.11 2.95 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 0.00 0.00 0.00 94 D 7.82 3.87 0.00 2.79 2.95 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 0.00 0.00 0.00 95 R 8.20 3.79 0.00 1.77 1.97 0.00 3.08 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 96 T 8.09 3.72 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 1.10 0.00 0.00 97 A 7.81 3.43 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 98 A 7.99 3.80 1.37 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 0.00 0.00 0.00 99 I 7.83 3.64 2.00 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 1.40 0.63 0.90 0.00 0.00 100 C 8.47 4.24 0.00 3.07 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 0.00 101 F 8.76 4.27 0.00 2.95 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 0.00 102 A 7.76 4.27 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 0.00 103 S 8.06 4.25 0.00 3.91 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 0.00 104 A 7.33 4.35 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.43 0.00 2.24 2.10 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 106 Y 8.38 4.16 0.00 2.85 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 0.00 107 N 8.59 4.78 0.00 2.89 2.90 0.00 0.00 6.46 7.48 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 0.00 108 I 8.31 3.44 1.96 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 1.49 0.66 1.17 0.00 0.00 109 N 8.14 4.37 0.00 2.68 2.90 0.00 0.00 6.86 8.00 0.00 0.00 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 N 8.95 4.57 0.00 2.25 2.19 0.00 0.00 6.82 7.28 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 0.00 111 I 7.04 3.94 1.84 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 1.39 0.53 0.97 0.00 0.00 112 M 8.07 3.09 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 113 I 6.83 4.42 1.79 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.01 0.79 0.00 0.00 114 S 8.22 3.85 0.00 3.80 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 0.00 115 A 7.79 4.25 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 0.00 116 S 8.18 4.48 0.00 3.94 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 0.00 117 N 8.45 4.62 0.00 2.84 2.97 0.00 0.00 6.02 7.64 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 0.00 118 S 7.91 4.24 0.00 3.88 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 0.00 119 C 7.68 4.84 0.00 3.00 3.14 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 0.00 120 Q 8.02 4.17 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.