NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4431 8.3049 118.7933 54.0914 33.3616 175.3869 2 Q 4.4944 7.6455 119.1268 53.7277 31.7653 169.4980 3 E 4.1357 8.7306 117.4420 56.6737 31.1583 177.0506 4 Q 4.3327 8.2098 123.0768 54.3004 27.8913 173.3480 5 A 4.1519 8.0118 123.7738 51.4643 19.4101 177.3044 6 Q 4.3015 7.9928 118.8987 55.5166 31.8279 172.9156 7 Q 4.7098 8.8010 126.6194 54.0379 29.8371 173.8920 8 F 4.4227 8.6330 127.6098 57.4771 40.1985 174.8882 9 I 3.6634 8.3607 128.7664 61.4202 37.6110 174.5611 10 F 4.9866 7.6222 127.7980 56.8550 42.5863 173.6717 11 K 4.4174 7.9417 122.8798 54.6902 35.4118 175.4897 12 V 4.6245 7.8398 124.8624 59.4385 34.1622 175.7892 13 T 4.1009 7.7803 113.9105 61.9166 69.7355 174.5489 14 D 4.5381 8.6925 119.9718 56.5635 40.8534 179.0024 15 K 3.9379 8.0105 119.9238 59.4021 32.3441 178.1154 16 A 4.0878 7.7794 121.1692 55.5402 18.3253 179.5698 17 V 3.6766 7.5211 114.7451 66.4829 31.6225 178.1293 18 E 4.1468 8.5783 118.4734 59.3672 29.2075 179.0130 19 E 4.1077 8.7372 119.8956 59.2577 29.6768 179.0071 20 I 3.8175 7.7357 119.9873 64.2226 37.2445 178.5306 21 K 4.0163 8.5712 119.8389 59.1468 31.8407 179.4404 22 K 3.8594 8.4873 120.2590 59.4811 32.0088 178.8075 23 V 3.4926 7.8164 117.3040 66.1875 31.6657 177.5625 24 A 3.9373 8.3369 120.5754 55.2360 17.7385 179.5019 25 Q 4.0087 8.4120 116.9053 58.9982 28.5710 178.2540 26 E 4.1528 8.3458 118.2598 57.3519 29.9315 176.9532 27 N 4.6603 8.2577 114.3406 52.6775 39.8226 174.2221 28 N 4.3419 7.5104 116.9300 54.3780 37.8518 173.4926 29 I 4.3899 7.4261 115.4483 59.4610 38.8374 175.2013 30 E 4.6429 8.6195 122.5748 55.8721 30.6991 176.5080 31 N 5.0572 7.5619 113.4001 51.3817 37.6829 171.8824 32 P 4.4848 0.0000 0.0000 63.4231 33.6665 176.7496 33 I 4.4659 8.1671 124.0357 59.6025 39.0211 174.4614 34 L 4.9365 8.9934 131.3337 53.2131 42.9441 175.3722 35 R 4.8934 8.5301 123.0368 54.6240 31.8149 175.3433 36 I 4.3291 7.9311 122.3499 59.7025 38.9030 175.6371 37 R 4.2698 8.1586 126.4383 54.4456 32.4825 174.6196 38 V 3.6008 8.3338 125.7104 63.1294 31.9396 175.0947 39 V 4.2685 8.0783 126.0761 60.0657 34.0322 173.2676 40 P 4.4439 0.0000 0.0000 62.4624 32.0344 175.9139 41 G 3.7322 7.3073 117.4133 44.1584 0.0000 175.9958 42 G 3.9321 7.9816 115.9532 45.7157 0.0000 174.8182 43 C 4.1863 8.7758 116.2146 61.3252 29.8695 175.6025 44 S 4.1939 8.2822 115.6589 60.7446 62.2789 173.4642 45 G 4.2482 6.8537 106.7067 44.7999 0.0000 173.2977 46 F 4.2873 8.4847 123.7237 56.7498 38.6986 176.0119 47 Q 4.3489 7.5741 120.3142 54.4088 30.4365 175.5333 48 Y 4.2557 7.4653 120.6458 56.4264 39.0278 175.3666 49 A 4.5925 8.2489 125.6495 52.2333 19.5056 176.2560 50 M 4.6645 8.5391 119.2114 54.0294 34.3211 174.8453 51 G 4.1143 7.8107 105.4303 46.0496 0.0000 172.0052 52 F 5.4331 7.8253 115.2713 55.1232 39.1343 174.4802 53 D 4.9956 9.0432 122.7803 52.6554 44.5283 175.5649 54 D 4.5091 8.5681 116.5740 56.0416 43.3653 176.5634 55 T 4.2014 7.6769 111.0368 61.5019 68.4341 172.6299 56 V 4.4754 7.7213 120.5190 60.8776 34.6038 174.5645 57 E 4.3376 8.4100 123.7631 55.5598 30.6424 176.0406 58 E 4.2230 8.2394 119.7415 56.7528 29.5653 176.8614 59 G 4.0310 7.6119 106.5909 45.7206 0.0000 172.1966 60 D 4.9183 7.8053 121.6689 52.7544 45.2736 175.3003 61 H 4.7167 8.6398 122.4593 56.1868 27.6876 173.3286 62 V 4.2647 8.1505 121.5707 61.2145 32.1103 175.4697 63 F 5.3084 9.5253 129.3204 56.0518 41.5960 174.3545 64 E 4.2712 8.9103 126.2940 56.9882 30.0476 176.2269 65 Y 4.7029 9.0183 123.2659 56.3246 41.0850 175.8642 66 D 4.5937 8.4870 116.7492 55.1933 38.5720 176.4987 67 G 3.8543 8.9277 107.8206 45.7533 0.0000 171.3606 68 V 4.4602 7.3709 116.1589 61.1719 34.8670 172.4813 69 K 4.8182 8.1665 123.9511 55.4055 34.2582 175.9004 70 V 4.8637 8.0599 120.4183 61.8375 35.5264 173.9312 71 V 5.5602 9.4265 118.2305 59.6876 36.7448 174.1465 72 I 4.7025 8.2651 121.8100 59.5850 41.5856 175.0379 73 D 5.0335 8.6034 126.8667 53.1650 41.6009 175.9137 74 P 4.2432 0.0000 0.0000 65.5498 31.5222 178.0302 75 F 4.1747 8.2206 116.6498 59.3093 39.4760 177.1767 76 S 4.4506 7.9239 112.5571 59.8310 63.4453 176.0945 77 M 3.4296 7.7832 123.3277 57.8473 31.6654 176.2925 78 P 4.4094 0.0000 0.0000 63.7810 31.5680 175.6784 79 Y 4.4036 7.8301 119.3509 57.8660 39.1586 176.5034 80 V 4.6401 7.7019 112.3076 61.0154 33.1694 173.4656 81 N 4.6517 8.6536 119.5945 54.7569 38.1856 173.5506 82 G 3.9781 9.3415 112.9921 46.1504 0.0000 171.9633 83 A 4.5497 8.1775 122.0180 51.3466 20.4720 176.4935 84 E 5.2276 8.8151 118.5679 53.3580 31.7822 174.3596 85 L 5.0328 8.3423 128.2087 53.5970 44.3897 174.6485 86 D 4.9185 9.1998 128.8942 53.0351 41.9791 174.2605 87 Y 4.5282 8.5594 128.0084 56.8676 39.6672 175.1881 88 V 4.0228 7.6961 125.7505 62.4019 33.5726 174.7008 89 V 4.7513 7.8140 123.7973 61.5845 33.9782 174.2359 90 D 4.4423 9.2222 126.2533 54.2209 46.1920 175.9454 91 F 3.8220 8.5036 121.6526 60.2836 39.7157 175.4693 92 M 4.4709 8.1656 118.3696 54.6714 33.8133 176.0871 93 G 3.9565 8.5829 116.9045 45.1977 0.0000 175.8952 94 G 4.4319 7.8950 109.5299 45.7747 0.0000 170.7974 95 G 3.5555 6.9958 109.1627 44.4605 0.0000 170.6611 96 F 4.9879 8.2328 117.3912 55.9081 41.5073 175.3340 97 T 4.7694 8.4813 119.1797 61.6439 72.3521 173.1319 98 I 5.1206 8.4256 124.6969 59.3504 41.4728 174.2896 99 R 4.8057 9.2754 127.5041 54.3268 33.7401 173.9210 100 N 5.3382 8.6997 121.3008 50.9177 41.4745 172.2822 101 P 4.4450 0.0000 0.0000 63.0855 31.6329 176.0180 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 M 8.30 4.44 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 2 Q 7.65 4.49 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.12 2.41 0.00 3 E 8.73 4.14 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 2.28 2.30 0.00 4 Q 8.21 4.33 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 5 A 8.01 4.15 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 6 Q 7.99 4.30 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 1.96 2.18 0.00 7 Q 8.80 4.71 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.57 2.72 0.00 8 F 8.63 4.42 0.00 2.83 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 9 I 8.36 3.66 1.87 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 1.24 0.72 0.88 0.00 0.00 10 F 7.62 4.99 0.00 1.51 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.42 0.00 1.47 1.52 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.44 7.81 12 V 7.84 4.62 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 0.66 0.00 0.00 1.10 0.00 0.00 13 T 7.78 4.10 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 1.33 0.00 0.00 14 D 8.69 4.54 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 3.94 0.00 1.91 2.07 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.62 7.81 16 A 7.78 4.09 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 17 V 7.52 3.68 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 0.99 0.00 0.00 1.15 0.00 0.00 18 E 8.58 4.15 0.00 2.37 2.03 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 2.35 2.42 0.00 19 E 8.74 4.11 0.00 2.30 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 0.00 2.48 2.51 0.00 20 I 7.74 3.82 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.68 0.91 0.00 0.00 21 K 8.57 4.02 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 22 K 8.49 3.86 0.00 1.78 1.98 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.43 7.81 23 V 7.82 3.49 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 0.73 0.00 0.00 1.02 0.00 0.00 24 A 8.34 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.41 4.01 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 26 E 8.35 4.15 0.00 2.02 1.87 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 2.27 2.31 0.00 27 N 8.26 4.66 0.00 2.55 2.65 0.00 0.00 6.63 7.05 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 28 N 7.51 4.34 0.00 2.84 2.94 0.00 0.00 7.07 7.81 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 29 I 7.43 4.39 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.93 0.00 0.00 30 E 8.62 4.64 0.00 1.87 1.88 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 2.16 2.24 0.00 31 N 7.56 5.06 0.00 2.82 2.77 0.00 0.00 6.20 7.76 0.00 0.00 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 P 0.00 4.48 0.00 2.16 2.24 0.00 3.67 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 2.07 1.99 0.00 33 I 8.17 4.47 1.98 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 1.10 0.80 0.89 0.00 0.00 34 L 8.99 4.94 0.00 1.57 1.25 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.53 4.89 0.00 1.77 1.83 0.00 3.00 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 36 I 7.93 4.33 1.57 0.00 0.00 0.73 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 0.64 0.09 0.00 0.00 37 R 8.16 4.27 0.00 1.65 1.71 0.00 3.33 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 38 V 8.33 3.60 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 0.47 0.00 0.00 0.43 0.00 0.00 39 V 8.08 4.27 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 0.85 0.00 0.00 0.93 0.00 0.00 40 P 0.00 4.44 0.00 2.15 2.11 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 41 G 7.31 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 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 43 C 8.78 4.19 0.00 3.11 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 44 S 8.28 4.19 0.00 3.85 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 45 G 6.85 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 0.00 0.00 0.00 0.00 46 F 8.48 4.29 0.00 3.05 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 47 Q 7.57 4.35 0.00 2.24 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.18 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 48 Y 7.47 4.26 0.00 3.11 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 49 A 8.25 4.59 1.11 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 50 M 8.54 4.66 0.00 1.88 1.73 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 51 G 7.81 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 52 F 7.83 5.43 0.00 3.02 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 53 D 9.04 5.00 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 54 D 8.57 4.51 0.00 2.65 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 55 T 7.68 4.20 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 1.24 0.00 0.00 56 V 7.72 4.48 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 0.89 0.00 0.00 0.93 0.00 0.00 57 E 8.41 4.34 0.00 2.03 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 0.00 2.28 2.37 0.00 58 E 8.24 4.22 0.00 1.92 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 2.28 2.30 0.00 59 G 7.61 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 60 D 7.81 4.92 0.00 2.77 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 61 H 8.64 4.72 0.00 3.06 3.21 0.00 5.86 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 62 V 8.15 4.26 2.13 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 0.82 0.00 0.00 1.05 0.00 0.00 63 F 9.53 5.31 0.00 3.34 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.91 4.27 0.00 1.79 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 2.33 2.38 0.00 65 Y 9.02 4.70 0.00 2.86 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 66 D 8.49 4.59 0.00 2.62 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 67 G 8.93 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 68 V 7.37 4.46 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 0.93 0.00 0.00 1.04 0.00 0.00 69 K 8.17 4.82 0.00 1.70 1.68 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.38 7.81 70 V 8.06 4.86 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 0.91 0.00 0.00 -0.75 0.00 0.00 71 V 9.43 5.56 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 0.75 0.00 0.00 0.96 0.00 0.00 72 I 8.27 4.70 1.34 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.17 0.44 0.00 0.00 73 D 8.60 5.03 0.00 2.54 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.24 0.00 2.28 2.19 0.00 3.80 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 2.12 2.09 0.00 75 F 8.22 4.17 0.00 2.88 3.12 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 0.00 0.00 0.00 76 S 7.92 4.45 0.00 3.74 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 77 M 7.78 3.43 0.00 1.74 2.13 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.85 0.00 78 P 0.00 4.41 0.00 2.06 2.04 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 79 Y 7.83 4.40 0.00 2.90 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 80 V 7.70 4.64 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 0.85 0.00 0.00 0.61 0.00 0.00 81 N 8.65 4.65 0.00 2.70 2.83 0.00 0.00 7.21 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 82 G 9.34 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 0.00 0.00 0.00 83 A 8.18 4.55 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.82 5.23 0.00 1.95 1.87 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 2.15 2.00 0.00 85 L 8.34 5.03 0.00 2.11 2.00 1.37 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 86 D 9.20 4.92 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.56 4.53 0.00 3.03 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 88 V 7.70 4.02 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 0.74 0.00 0.00 0.86 0.00 0.00 89 V 7.81 4.75 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 0.92 0.00 0.00 1.00 0.00 0.00 90 D 9.22 4.44 0.00 2.70 2.56 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 91 F 8.50 3.82 0.00 2.89 2.87 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 92 M 8.17 4.47 0.00 1.96 1.65 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 93 G 8.58 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 0.00 0.00 0.00 94 G 7.89 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.00 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 96 F 8.23 4.99 0.00 2.77 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 97 T 8.48 4.77 4.46 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 1.23 0.00 0.00 98 I 8.43 5.12 1.80 0.00 0.00 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 1.61 1.07 0.99 0.00 0.00 99 R 9.28 4.81 0.00 1.76 1.79 0.00 3.13 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 100 N 8.70 5.34 0.00 2.74 2.71 0.00 0.00 7.13 7.70 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 0.00 101 P 0.00 4.44 0.00 2.23 2.03 0.00 3.89 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.