NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5033 8.1749 117.3741 63.5050 70.0834 172.9760 2 S 4.6165 9.7330 121.1271 55.0690 66.4500 171.6073 3 I 5.2576 8.2026 117.9734 59.7618 41.0810 173.7993 4 M 4.9027 8.8214 119.6810 54.4185 34.9301 173.1822 5 A 5.1205 8.4264 120.7407 50.3061 22.4689 175.6176 6 V 4.4912 8.9310 122.0724 61.1735 34.5897 175.1763 7 T 4.7218 8.7565 118.3921 61.4788 70.1376 173.6508 8 F 4.8911 8.9830 117.4626 55.5306 41.0893 174.4494 9 K 3.7059 9.1347 121.0467 60.0954 31.5313 177.1148 10 D 4.6294 7.9841 114.1909 53.3792 42.3999 175.5855 11 G 4.2611 5.3800 112.4984 44.4657 0.0000 176.2214 12 V 5.1589 7.9135 121.7932 60.2329 33.8199 172.8306 13 I 4.6914 8.8709 122.0468 59.6220 40.7217 174.4211 14 L 5.1594 8.5079 125.0523 53.2604 44.2211 175.9627 15 G 4.3361 8.9059 108.0264 45.2868 0.0000 171.2405 16 A 5.1618 8.1324 120.7749 50.9657 22.1098 175.7059 17 D 4.7947 8.5828 120.6202 52.1940 41.7134 176.0111 18 S 5.0114 8.2518 110.9325 57.3548 63.3863 173.3580 19 R 5.1978 8.4697 120.5294 55.7937 32.3765 174.8965 20 T 4.8001 8.8255 116.1908 60.0515 71.5033 173.0067 21 T 5.1157 8.6438 115.1425 60.0866 72.0510 174.1923 22 T 4.4685 8.5822 112.3653 60.2081 70.0081 174.6496 23 G 4.1654 8.4036 121.3030 47.0731 0.0000 172.7766 24 A 4.3240 8.5972 125.9385 52.5646 19.4986 176.6961 25 Y 4.3307 7.6661 118.1778 56.7472 39.5319 174.6979 26 I 4.1366 7.2288 127.6710 59.8169 36.6866 175.4753 27 A 4.0965 8.2331 130.2615 54.2994 18.7416 177.5609 28 N 4.8619 7.9537 113.4158 52.2471 41.7610 174.5487 29 R 4.6499 8.6376 120.5084 56.2669 30.2038 176.2847 30 V 4.5935 8.5722 111.8171 61.4450 32.9670 176.1347 31 T 3.9731 8.1315 117.0970 64.1194 69.7781 173.2690 32 D 4.9851 8.6115 124.0946 52.7660 42.4047 175.5847 33 K 4.3437 8.7003 124.5205 56.7698 33.5914 176.3749 34 L 4.7759 8.1254 121.2068 53.9686 42.1908 175.9215 35 T 4.5746 8.7515 121.4627 61.5298 71.4266 173.7453 36 R 3.3264 7.7843 126.0472 55.0604 30.5644 176.2764 37 V 4.1426 7.9272 118.7735 61.5079 33.4370 174.6748 38 H 4.5498 7.5139 117.5577 55.2299 32.4835 173.8434 39 D 4.5834 8.5793 123.0054 57.2963 40.6737 179.3018 40 K 5.0338 8.1062 117.3011 56.0442 33.8634 176.1486 41 I 5.0791 8.4004 120.8894 59.9768 41.0779 174.8834 42 W 5.4112 9.7350 127.1913 54.8792 33.4514 174.1595 43 C 5.3048 9.4599 114.6934 57.1794 33.2810 172.5790 44 C 5.2875 9.2174 117.8086 58.1900 30.3009 173.0430 45 R 5.1208 8.4773 122.7721 54.4814 31.8515 175.7276 46 S 4.5998 9.0318 117.2580 56.5095 66.9411 173.9919 47 G 4.1891 9.0007 105.6833 44.3909 0.0000 175.7379 48 S 4.2707 9.9395 121.1118 57.3742 62.9986 174.5982 49 A 3.9872 8.8352 129.7130 55.1579 18.2594 179.2768 50 A 3.9513 7.9340 118.7693 55.4028 18.5073 179.4495 51 D 4.3082 8.7153 117.8783 57.8349 40.9117 179.1455 52 T 3.9838 8.2487 110.5756 64.8543 68.6056 176.4619 53 Q 3.9532 8.2617 120.5131 58.8227 28.9430 178.3565 54 A 4.0440 8.0113 121.6765 55.2863 18.2787 179.7376 55 I 3.6166 8.2402 118.2456 64.4538 37.2396 178.3265 56 A 4.0061 8.3952 121.8436 55.5304 18.2743 179.1552 57 D 4.3566 8.5575 117.5608 57.8770 40.8254 179.4968 58 I 3.8138 7.7060 119.7978 64.2072 37.0796 178.6021 59 V 3.3758 7.8133 119.3439 65.9063 31.2333 177.6526 60 Q 4.1606 8.2805 121.0019 58.7044 28.8195 177.7995 61 Y 4.1001 7.9504 120.2203 61.2280 38.8640 177.8184 62 H 3.7383 8.5169 117.3504 58.8282 28.7114 177.7851 63 L 4.0967 8.3685 120.9971 57.1712 41.4206 179.1466 64 E 3.9076 8.1256 119.7885 59.2292 29.2673 178.6364 65 L 3.8543 7.6481 120.4192 57.9022 41.9562 178.2863 66 Y 3.9152 7.8802 119.7194 60.9429 38.5705 178.0885 67 T 4.6226 7.9217 116.7366 66.4810 68.6759 176.3915 68 S 4.1559 7.8064 115.6693 61.1017 62.8109 175.9126 69 Q 4.1089 6.9607 118.4997 56.3938 29.6542 176.0383 70 Y 4.4514 7.5137 114.9640 57.7125 39.3705 175.3603 *72 G 4.1562 7.5114 108.8195 45.3588 0.0000 172.0747 73 T 4.2708 8.5296 115.7008 63.3556 68.7598 172.5499 74 P 4.5285 0.0000 0.0000 61.8524 32.7893 176.6396 75 S 4.3971 8.1026 114.9550 58.3162 65.2200 175.3901 76 T 3.8736 8.3820 119.8504 66.8414 68.1842 176.3834 77 E 3.9328 8.1113 120.7421 59.6797 29.7625 178.9231 78 T 3.8062 7.8569 115.5357 66.3406 68.4012 176.6154 79 A 3.9045 7.9656 122.5689 55.1838 18.4104 179.5957 80 A 4.1668 8.1902 119.2364 55.2961 18.3043 179.8496 81 S 4.0419 8.0474 112.0359 61.3883 62.5579 176.5699 82 V 3.5088 7.7589 120.9515 65.7781 31.1856 177.9548 83 F 4.0281 8.1686 117.5927 60.4470 38.8360 177.2630 84 K 3.9045 8.3675 119.2870 59.6852 31.9435 177.9102 85 E 3.9815 8.3553 119.4225 59.6691 29.2454 178.9764 86 L 4.0476 7.8668 118.3252 58.0387 41.4476 179.3671 87 C 4.3240 8.2606 115.9732 62.6693 28.3431 175.3457 88 Y 4.2411 8.7291 121.4968 60.8306 38.3533 177.4469 89 E 3.9707 8.1957 118.3850 58.0450 30.0636 176.6213 90 N 5.0501 7.6675 115.4566 52.3735 39.6173 176.5793 91 K 4.0657 7.6755 120.3593 60.1228 32.7347 177.9466 92 D 4.2897 7.9143 118.7940 56.9894 40.9464 177.3916 *94 N 5.1162 7.8920 113.3481 52.4797 40.2201 173.6925 95 L 5.1246 7.4539 116.3757 53.4344 45.0931 176.8483 96 T 4.7217 8.5009 116.3156 61.5562 69.9590 171.0296 97 A 4.9132 8.2730 124.0932 49.9066 22.5228 175.2632 98 G 4.0744 9.3938 111.1008 44.6600 0.0000 172.3334 99 I 5.0969 8.3257 126.2452 59.2866 40.6607 175.0173 100 I 4.3570 8.3773 126.9825 59.4984 39.5657 174.5889 101 V 4.5807 8.3026 126.9486 61.3446 33.0911 174.8071 102 A 4.7725 9.4150 129.2943 50.3180 22.1016 175.0681 103 G 4.6516 8.7477 108.1987 44.0631 0.0000 170.9659 104 Y 4.6908 8.9278 122.6161 55.4512 40.7240 175.2489 105 D 4.2716 7.8126 124.9333 54.1825 41.5155 175.3357 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 T 8.17 4.50 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 1.26 0.00 0.00 2 S 9.73 4.62 0.00 3.70 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 3 I 8.20 5.26 1.87 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 1.40 0.60 0.92 0.00 0.00 4 M 8.82 4.90 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 5 A 8.43 5.12 1.21 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 0.00 0.00 0.00 0.00 0.00 6 V 8.93 4.49 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 1.11 0.00 0.00 0.93 0.00 0.00 7 T 8.76 4.72 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 1.24 0.00 0.00 8 F 8.98 4.89 0.00 3.21 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 9 K 9.13 3.71 0.00 1.81 2.05 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.51 7.81 10 D 7.98 4.63 0.00 2.44 2.50 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 11 G 5.38 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 0.00 0.00 0.00 0.00 12 V 7.91 5.16 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 0.79 0.00 0.00 1.05 0.00 0.00 13 I 8.87 4.69 1.80 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.82 0.00 0.00 14 L 8.51 5.16 0.00 1.42 1.56 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.91 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 0.00 0.00 0.00 16 A 8.13 5.16 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 17 D 8.58 4.79 0.00 2.71 2.70 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 18 S 8.25 5.01 0.00 3.94 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 19 R 8.47 5.20 0.00 1.79 2.02 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 20 T 8.83 4.80 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 1.21 0.00 0.00 21 T 8.64 5.12 4.48 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 1.17 0.00 0.00 22 T 8.58 4.47 4.31 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 1.27 0.00 0.00 23 G 8.40 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 0.00 0.00 0.00 0.00 24 A 8.60 4.32 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 25 Y 7.67 4.33 0.00 3.05 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 26 I 7.23 4.14 1.52 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 1.17 0.80 0.79 0.00 0.00 27 A 8.23 4.10 1.34 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 0.00 0.00 28 N 7.95 4.86 0.00 2.70 2.59 0.00 0.00 6.78 7.53 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 29 R 8.64 4.65 0.00 1.90 1.93 0.00 3.00 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 30 V 8.57 4.59 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 8.13 3.97 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 32 D 8.61 4.99 0.00 2.69 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 33 K 8.70 4.34 0.00 1.78 1.98 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.49 7.81 34 L 8.13 4.78 0.00 1.89 1.88 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.75 4.57 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 1.17 0.00 0.00 36 R 7.78 3.33 0.00 0.67 1.05 0.00 3.05 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.56 0.00 37 V 7.93 4.14 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 0.95 0.00 0.00 1.10 0.00 0.00 38 H 7.51 4.55 0.00 3.14 3.14 0.00 5.90 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.58 4.58 0.00 2.71 2.81 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 40 K 8.11 5.03 0.00 1.84 2.06 0.00 1.80 0.00 0.00 2.11 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.58 7.81 41 I 8.40 5.08 2.00 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 1.34 0.93 1.04 0.00 0.00 42 W 9.74 5.41 0.00 3.19 3.27 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 43 C 9.46 5.30 0.00 2.72 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 44 C 9.22 5.29 0.00 2.82 2.86 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 45 R 8.48 5.12 0.00 1.74 1.86 0.00 3.18 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 46 S 9.03 4.60 0.00 3.85 3.89 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 0.00 0.00 0.00 0.00 47 G 9.00 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 48 S 9.94 4.27 0.00 3.84 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 49 A 8.84 3.99 1.34 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 0.00 0.00 50 A 7.93 3.95 1.34 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 0.00 0.00 51 D 8.72 4.31 0.00 2.68 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 52 T 8.25 3.98 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 1.29 0.00 0.00 53 Q 8.26 3.95 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 54 A 8.01 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 55 I 8.24 3.62 2.17 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 1.51 0.79 1.08 0.00 0.00 56 A 8.40 4.01 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 57 D 8.56 4.36 0.00 2.87 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 58 I 7.71 3.81 2.01 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 1.39 0.96 1.03 0.00 0.00 59 V 7.81 3.38 1.66 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 0.52 0.00 0.00 -0.13 0.00 0.00 60 Q 8.28 4.16 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 61 Y 7.95 4.10 0.00 3.09 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 62 H 8.52 3.74 0.00 3.36 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.37 4.10 0.00 1.62 1.63 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.13 3.91 0.00 2.14 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 2.28 2.31 0.00 65 L 7.65 3.85 0.00 1.39 1.36 0.81 0.73 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 66 Y 7.88 3.92 0.00 3.31 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 67 T 7.92 4.62 4.44 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 1.28 0.00 0.00 68 S 7.81 4.16 0.00 3.88 3.83 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 69 Q 6.96 4.11 0.00 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 70 Y 7.51 4.45 0.00 2.29 2.58 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 *72 G 7.51 4.16 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 0.00 73 T 8.53 4.27 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 1.29 0.00 0.00 74 P 0.00 4.53 0.00 1.73 1.18 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 75 S 8.10 4.40 0.00 4.03 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 76 T 8.38 3.87 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 1.27 0.00 0.00 77 E 8.11 3.93 0.00 2.00 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 2.35 2.39 0.00 78 T 7.86 3.81 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 0.80 0.00 0.00 79 A 7.97 3.90 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 80 A 8.19 4.17 1.43 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 81 S 8.05 4.04 0.00 4.00 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 82 V 7.76 3.51 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 0.75 0.00 0.00 0.85 0.00 0.00 83 F 8.17 4.03 0.00 3.32 3.05 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 84 K 8.37 3.90 0.00 1.96 2.04 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.64 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.48 1.60 7.81 85 E 8.36 3.98 0.00 2.32 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 0.00 2.32 2.46 0.00 86 L 7.87 4.05 0.00 1.98 1.74 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.26 4.32 0.00 3.05 3.07 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 88 Y 8.73 4.24 0.00 2.93 3.07 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 89 E 8.20 3.97 0.00 2.36 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 2.37 2.40 0.00 90 N 7.67 5.05 0.00 2.97 2.73 0.00 0.00 6.56 7.56 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 91 K 7.68 4.07 0.00 1.81 2.02 0.00 1.45 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.38 1.33 7.81 92 D 7.91 4.29 0.00 2.73 2.73 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 *94 N 7.89 5.12 0.00 2.73 2.89 0.00 0.00 7.07 7.85 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 95 L 7.45 5.12 0.00 1.67 1.55 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.50 4.72 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 97 A 8.27 4.91 1.22 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 0.00 0.00 98 G 9.39 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 0.00 0.00 0.00 99 I 8.33 5.10 1.64 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 0.31 0.00 0.00 100 I 8.38 4.36 1.84 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 1.08 0.86 0.89 0.00 0.00 101 V 8.30 4.58 2.04 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 0.90 0.00 0.00 0.58 0.00 0.00 102 A 9.41 4.77 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 0.00 103 G 8.75 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 0.00 0.00 0.00 0.00 104 Y 8.93 4.69 0.00 2.98 2.91 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 0.00 105 D 7.81 4.27 0.00 2.46 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.