NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3699 8.0176 110.9410 61.4637 69.7849 174.7454 4 T 4.0499 8.5803 115.6300 63.5853 68.7099 175.2377 5 A 3.8546 8.7525 125.1502 55.2568 18.7610 180.4779 6 E 4.0476 8.0053 116.1193 58.9558 29.4967 178.7066 7 Q 4.4944 7.6551 116.0684 57.0952 29.0371 177.8327 8 I 3.3893 7.3869 122.7133 64.1175 37.1446 176.0760 9 P 4.1047 0.0000 0.0000 65.6962 31.1213 178.6458 10 F 4.1079 7.8733 115.8506 60.7083 38.9247 177.6674 11 Q 4.0042 8.0402 117.7146 58.5695 28.3009 178.5457 12 L 4.0525 8.0154 120.3675 58.0113 41.7476 179.6197 13 I 3.6527 7.8390 119.5808 64.2405 37.1518 178.1543 14 L 3.9396 7.9482 121.0052 58.3396 41.9895 178.7435 15 N 4.4119 8.3099 116.1582 56.4975 38.6490 177.6555 16 S 4.2704 8.4882 116.8915 61.5824 62.9672 176.8851 17 G 3.6431 8.1507 108.3484 48.0712 0.0000 175.4704 18 N 4.1379 8.1392 118.3403 55.6437 38.5054 177.4132 19 A 4.2343 8.1424 122.3387 55.2406 18.3041 179.5817 20 R 3.8721 8.1045 116.2691 59.6927 30.2230 178.5652 21 S 4.1994 7.7657 113.5515 61.6405 63.0593 176.1458 22 F 4.6631 8.5965 120.6079 60.7409 38.6465 178.1466 23 A 4.4753 8.0304 117.1963 52.9518 17.9449 178.9262 *25 E 4.0305 8.1918 122.1351 57.8179 31.9604 178.1433 26 A 4.2358 8.3327 120.6239 55.4829 18.3196 179.7638 27 L 4.0060 8.0141 117.3713 57.9314 41.4479 179.5182 28 Q 3.8229 7.8689 118.2140 58.8962 29.1861 178.0061 29 F 4.4877 8.0655 118.7610 60.6456 39.0533 177.5843 30 A 3.9534 8.0067 120.1784 54.9062 17.8976 179.5014 31 K 3.1955 7.7925 117.2878 58.6072 32.2494 177.9655 32 Q 4.4295 8.0269 116.2494 55.4037 29.4304 176.4467 33 G 3.9467 7.8657 108.4345 45.0244 0.0000 173.4364 34 K 4.2136 7.6725 118.9863 55.0946 33.6894 177.2889 *36 A 4.2344 8.4461 124.9173 52.3479 20.6639 178.8447 37 E 3.5906 7.8861 114.5944 59.1515 29.1181 179.0013 38 A 4.1449 7.4464 119.4537 55.4540 18.5379 178.9997 39 D 4.4597 7.9885 115.1150 57.5866 41.2889 178.0178 40 E 4.0497 8.0658 119.4148 59.2811 29.4859 179.9810 41 A 3.9820 8.1220 118.8586 52.4031 18.3542 179.4429 *43 V 3.8987 7.7465 121.3822 64.4875 33.4192 177.6559 44 K 3.5503 7.7853 118.7690 59.3247 31.5957 179.1611 45 A 4.1779 8.0152 120.9792 55.1118 18.3529 179.6517 46 K 3.9720 7.8878 117.6998 59.4620 32.3423 178.8271 47 E 3.9404 8.4672 119.2383 59.2869 29.2676 179.1447 48 A 4.1147 8.2590 120.9022 55.3295 18.4213 179.6792 49 I 3.7327 7.9311 118.3158 64.7304 36.9278 178.4642 50 N 4.3646 8.0387 116.3919 56.3170 38.4124 177.0357 51 E 4.0970 8.2383 119.0735 58.8927 29.7622 178.8416 52 A 4.5108 7.7312 120.8205 54.9589 19.1259 178.5838 53 H 4.0374 8.3961 117.3660 60.0894 29.7854 176.7523 54 H 4.0991 8.3343 115.9562 58.8058 27.9080 177.0730 55 F 4.2691 7.4389 120.3040 60.6151 38.7841 177.3940 56 Q 3.9784 8.1745 119.0453 59.3480 28.8442 178.0550 57 T 3.8472 7.8555 116.3148 66.9528 68.4539 176.1936 58 E 3.9922 8.5363 120.5983 59.1405 29.3175 179.0512 59 L 3.9675 7.9716 120.4821 58.4278 42.1183 179.2575 60 I 3.7785 7.9136 119.6177 64.2991 36.9287 178.5122 61 Q 3.9865 8.2113 119.0665 59.0841 27.1614 178.7646 62 S 4.1188 8.4043 116.5577 61.5893 62.6229 176.5021 63 E 3.9679 7.8196 120.5661 59.2120 29.5168 178.0401 64 A 4.1209 7.7673 119.5448 54.5718 18.7616 178.4145 65 R 4.1672 7.5047 114.6782 55.7051 30.8791 178.2179 66 G 3.9192 8.3359 110.6878 44.6735 0.0000 172.3258 67 E 4.6569 8.4496 121.5009 55.9745 33.8587 179.1883 68 K 3.3494 8.9038 121.2603 56.3304 32.3545 177.0186 69 T 3.1850 8.5134 105.1463 64.1314 64.6354 172.7095 70 E 4.2001 7.7626 120.7599 55.0890 29.3275 174.9243 71 I 4.1859 8.0767 127.7396 60.2433 38.1340 176.2409 72 S 4.7622 8.1492 119.2320 55.5248 67.6449 174.9461 73 V 3.5425 8.1973 120.4495 66.0833 31.1593 177.5305 74 L 3.9058 7.7717 119.5609 57.8549 41.8882 178.5952 75 L 3.8137 7.6125 120.3224 58.1370 42.0979 178.6856 76 I 3.6362 7.5807 119.7869 64.8501 37.1279 177.6154 77 H 4.0244 8.6954 118.7762 59.4014 29.6351 177.0118 78 A 3.9630 8.3533 122.7052 55.2780 17.9552 179.6524 79 Q 3.9631 8.2380 116.0124 59.0891 28.8312 178.3336 80 D 4.4859 7.9274 118.9777 57.7459 41.1371 178.2922 81 H 4.4269 8.0793 116.5830 58.6555 28.6850 177.7221 82 L 4.5265 7.6836 119.0604 55.8476 41.4887 177.6985 *84 N 4.5683 8.0489 116.9170 53.4844 40.7865 175.9965 85 A 4.0326 8.4596 120.1838 55.4793 18.3797 179.4856 86 I 3.6597 7.8220 118.0427 64.9579 37.1701 178.8836 87 T 3.8546 7.7454 115.7998 66.6104 68.4364 176.7089 88 V 3.6414 8.4633 120.5765 65.9505 31.5219 177.6552 89 K 3.8840 8.3653 119.4628 59.6827 31.5712 177.9082 90 E 3.9392 8.1529 119.2941 59.7304 29.4786 179.0396 91 L 3.8036 8.1329 118.3410 57.3612 41.7231 179.0950 92 A 4.3713 8.7085 121.2125 55.2346 18.2908 179.2861 93 A 4.0413 8.2306 119.1992 55.6802 18.3605 179.8108 94 E 3.9467 7.6883 116.5465 59.3389 29.4884 179.4845 95 F 4.2017 8.2041 117.9333 60.6207 38.9982 177.6366 96 I 3.9312 8.4598 119.6961 64.6484 36.8968 177.8369 97 D 4.4387 8.5030 120.0484 57.5848 40.7213 178.8800 98 L 3.8871 8.0700 120.4030 58.5626 42.0613 178.6528 99 Y 4.1695 8.0677 116.4546 61.0807 37.5705 178.7990 100 K 4.0710 8.2135 118.5562 59.1838 32.4952 178.9284 101 K 4.0733 8.3832 120.2116 59.6467 32.0048 178.8175 102 L 4.0161 7.9298 119.1843 57.8390 41.3253 179.1784 103 E 4.0579 8.2992 117.9004 58.6225 29.6316 177.7235 104 A 4.4922 7.5990 118.7151 52.2246 18.6624 177.4517 105 K 4.4774 7.4704 115.4045 55.5211 33.8087 176.8046 106 G 4.3540 8.4060 113.8210 46.7519 0.0000 173.6832 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 8.02 4.37 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 1.22 0.00 0.00 4 T 8.58 4.05 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 1.24 0.00 0.00 5 A 8.75 3.85 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 6 E 8.01 4.05 0.00 2.18 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 2.38 2.34 0.00 7 Q 7.66 4.49 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 8 I 7.39 3.39 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.89 0.00 0.00 9 P 0.00 4.10 0.00 1.62 1.87 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 10 F 7.87 4.11 0.00 3.16 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 11 Q 8.04 4.00 0.00 1.34 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 12 L 8.02 4.05 0.00 1.89 1.73 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.84 3.65 1.86 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 1.41 0.80 0.89 0.00 0.00 14 L 7.95 3.94 0.00 1.92 1.84 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.31 4.41 0.00 3.00 3.14 0.00 0.00 7.14 6.89 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 16 S 8.49 4.27 0.00 3.89 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 17 G 8.15 3.64 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 0.00 0.00 0.00 18 N 8.14 4.14 0.00 2.93 2.62 0.00 0.00 6.92 7.03 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 19 A 8.14 4.23 1.53 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 20 R 8.10 3.87 0.00 1.81 2.12 0.00 3.28 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 21 S 7.77 4.20 0.00 3.76 3.71 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 22 F 8.60 4.66 0.00 3.26 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 23 A 8.03 4.48 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 *25 E 8.19 4.03 0.00 2.37 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 2.21 2.51 0.00 26 A 8.33 4.24 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.01 0.00 1.67 1.69 0.72 1.16 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 28 Q 7.87 3.82 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.06 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 29 F 8.07 4.49 0.00 3.32 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 30 A 8.01 3.95 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 31 K 7.79 3.20 0.00 1.71 1.83 0.00 1.87 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.32 7.81 32 Q 8.03 4.43 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.44 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 33 G 7.87 3.95 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 0.00 0.00 0.00 34 K 7.67 4.21 0.00 2.04 2.06 0.00 1.81 0.00 0.00 2.08 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 *36 A 8.45 4.23 1.25 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 37 E 7.89 3.59 0.00 1.31 1.12 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 1.71 2.00 0.00 38 A 7.45 4.14 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.46 0.00 2.77 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 40 E 8.07 4.05 0.00 2.05 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 2.24 2.28 0.00 41 A 8.12 3.98 1.64 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 0.00 0.00 *43 V 7.75 3.90 2.16 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 1.02 0.00 0.00 0.90 0.00 0.00 44 K 7.79 3.55 0.00 1.19 0.74 0.00 1.49 0.00 0.00 1.02 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.10 1.36 7.81 45 A 8.02 4.18 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 46 K 7.89 3.97 0.00 1.88 1.93 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.25 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.58 7.81 47 E 8.47 3.94 0.00 2.08 1.96 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 2.48 2.34 0.00 48 A 8.26 4.11 1.65 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 49 I 7.93 3.73 2.04 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 1.57 0.80 0.91 0.00 0.00 50 N 8.04 4.36 0.00 2.88 2.88 0.00 0.00 7.09 6.94 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 51 E 8.24 4.10 0.00 2.24 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 0.00 2.55 2.55 0.00 52 A 7.73 4.51 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.40 4.04 0.00 3.39 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.33 4.10 0.00 3.34 3.46 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.44 4.27 0.00 3.23 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 56 Q 8.17 3.98 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 57 T 7.86 3.85 4.35 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 1.20 0.00 0.00 58 E 8.54 3.99 0.00 2.20 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 0.00 2.36 2.41 0.00 59 L 7.97 3.97 0.00 1.92 1.90 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.91 3.78 2.00 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 1.52 0.54 0.91 0.00 0.00 61 Q 8.21 3.99 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 62 S 8.40 4.12 0.00 3.98 4.08 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 63 E 7.82 3.97 0.00 1.91 2.19 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 2.33 2.33 0.00 64 A 7.77 4.12 1.39 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 0.00 0.00 0.00 65 R 7.50 4.17 0.00 1.97 1.87 0.00 3.17 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 66 G 8.34 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 0.00 0.00 0.00 67 E 8.45 4.66 0.00 2.17 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 2.42 2.22 0.00 68 K 8.90 3.35 0.00 1.88 1.21 0.00 1.94 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.45 7.81 69 T 8.51 3.19 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 1.28 0.00 0.00 70 E 7.76 4.20 0.00 1.91 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 2.27 2.38 0.00 71 I 8.08 4.19 1.86 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 1.46 0.68 0.90 0.00 0.00 72 S 8.15 4.76 0.00 3.95 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 73 V 8.20 3.54 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 0.83 0.00 0.00 0.91 0.00 0.00 74 L 7.77 3.91 0.00 1.67 1.48 0.75 -0.31 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 75 L 7.61 3.81 0.00 1.69 1.77 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.58 3.64 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 0.90 0.00 0.00 77 H 8.70 4.02 0.00 3.19 3.48 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.35 3.96 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 79 Q 8.24 3.96 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 80 D 7.93 4.49 0.00 2.70 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 81 H 8.08 4.43 0.00 3.27 3.28 0.00 5.62 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 82 L 7.68 4.53 0.00 1.82 1.80 1.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 *84 N 8.05 4.57 0.00 3.05 3.03 0.00 0.00 6.98 8.15 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 85 A 8.46 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 3.66 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 1.52 0.78 0.92 0.00 0.00 87 T 7.75 3.85 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 1.24 0.00 0.00 88 V 8.46 3.64 2.25 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 1.05 0.00 0.00 1.04 0.00 0.00 89 K 8.37 3.88 0.00 1.99 2.00 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 90 E 8.15 3.94 0.00 2.23 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 2.38 0.00 91 L 8.13 3.80 0.00 1.86 1.75 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.71 4.37 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 93 A 8.23 4.04 1.39 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 0.00 0.00 0.00 94 E 7.69 3.95 0.00 1.72 1.82 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 2.45 2.39 0.00 95 F 8.20 4.20 0.00 3.39 3.22 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 96 I 8.46 3.93 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.00 1.00 0.00 0.00 97 D 8.50 4.44 0.00 2.88 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 98 L 8.07 3.89 0.00 1.85 1.69 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.07 4.17 0.00 3.30 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 0.00 100 K 8.21 4.07 0.00 1.95 1.92 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.63 7.81 101 K 8.38 4.07 0.00 1.81 1.97 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 102 L 7.93 4.02 0.00 2.00 1.75 0.85 0.85 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 0.00 103 E 8.30 4.06 0.00 2.15 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 0.00 2.35 2.36 0.00 104 A 7.60 4.49 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 0.00 105 K 7.47 4.48 0.00 1.77 1.82 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.37 7.81 106 G 8.41 4.35 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 0.00 * Residues marked with a * may have inaccurate shift predictions.