NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4265 8.1749 117.3741 63.4347 70.1520 172.8622 2 S 4.6724 10.0870 122.1574 54.9741 65.8615 171.6520 3 I 5.2523 8.1528 118.0040 59.7409 41.1734 173.7668 4 M 4.8576 8.7138 119.5146 54.6260 35.0007 173.1867 5 A 5.1176 8.3830 120.5168 50.4128 22.3690 175.6059 6 V 4.5474 8.9570 122.5563 61.1920 34.6550 175.1732 7 T 4.8502 8.6734 117.7276 61.1469 70.5713 173.7406 8 F 4.8581 8.5562 116.5926 55.8444 40.8113 174.2523 9 K 3.7551 9.2269 120.8368 59.8584 31.6125 177.2501 10 D 4.6750 8.3261 114.3536 53.6778 43.0629 175.1033 11 G 4.2736 5.3800 112.1006 44.3912 0.0000 176.3318 12 V 5.0995 8.0474 118.2621 60.4243 34.1890 173.1904 13 I 4.7458 8.9174 121.4741 59.6550 41.1944 174.2413 14 L 5.1466 8.6135 125.4665 53.0095 44.2108 176.0351 15 G 4.3524 9.1084 109.0799 44.9323 0.0000 171.0988 16 A 5.6390 8.4982 121.0836 51.7900 22.2603 176.2332 17 D 4.8125 8.4114 119.4107 52.1708 42.4948 176.4893 18 S 4.8335 8.3574 112.8970 58.5083 64.6869 172.7454 19 R 5.0320 8.4216 121.3133 55.6721 31.4872 175.3171 20 T 4.7089 8.7683 116.6125 60.1636 71.2216 173.0426 21 T 5.0506 8.6552 116.3927 59.9397 71.6331 174.5040 22 T 4.4768 8.9123 113.2356 60.5613 70.0831 174.5963 23 G 4.1058 8.3734 121.2517 46.4597 0.0000 172.5224 24 A 4.5067 8.6907 127.2787 51.6503 19.5328 176.1114 25 Y 4.5650 7.5660 117.7754 56.2078 39.8073 175.0112 26 I 4.0412 7.4734 128.0210 59.7555 36.2169 175.2514 27 A 4.0641 8.3442 128.3505 54.3358 18.6702 177.5835 28 N 4.9151 8.1824 113.7945 51.9138 41.7095 174.7176 29 R 4.4572 8.6146 120.5052 56.4578 30.6908 176.6952 30 V 4.5249 7.9714 112.8891 61.1843 32.0498 176.3922 31 T 4.0222 8.1039 116.5594 63.9394 69.3596 174.3243 32 D 4.7539 8.5992 123.5399 52.5716 42.5812 174.9698 33 K 4.4345 8.5790 123.9893 56.3044 33.5711 176.1998 34 L 5.1671 8.2479 121.6733 53.8273 42.3308 175.7434 35 T 4.5984 8.7787 121.3533 61.6221 71.2599 173.8863 36 R 3.2455 7.8984 125.9145 55.0149 30.1561 176.1930 37 V 4.1173 7.9785 119.2471 62.0070 33.2831 174.5787 38 H 4.6800 7.4899 116.8894 54.9810 32.7414 172.5352 39 D 4.6662 8.5253 120.2948 57.3222 40.6916 179.2709 40 K 5.0626 8.1186 117.4467 56.2894 33.9389 175.6295 41 I 5.1683 8.2698 120.4232 59.7219 40.9014 174.8906 42 W 5.5209 9.7558 126.9353 55.0500 33.7441 173.8289 43 C 5.2974 9.4269 114.3289 57.3925 33.2615 172.6169 44 C 5.2986 9.1637 117.9034 58.1985 30.2930 173.0648 45 R 5.0377 8.6648 123.5193 54.5948 31.3254 175.9834 46 S 4.5462 9.0004 117.7763 57.5306 66.8249 173.5383 47 G 4.0386 8.7584 105.2451 44.0322 0.0000 172.8711 48 S 4.1253 9.1885 115.7995 58.2449 63.2294 175.9884 49 A 3.9721 8.8792 129.5403 55.3717 18.3008 179.5850 50 A 3.9536 7.9809 118.7922 55.3646 18.4736 179.4903 51 D 4.3095 8.1747 117.6022 57.7823 40.9454 179.1552 52 T 3.9870 8.2391 110.6295 64.8587 68.7251 176.6073 53 Q 3.9973 8.5085 121.0541 58.6410 28.9024 178.6270 54 A 4.0051 8.0501 121.7166 55.2863 18.4114 179.7815 55 I 3.6931 8.0268 118.1162 64.2811 37.0835 178.4952 56 A 4.0628 8.5459 122.0105 55.5403 18.4222 179.2757 57 D 4.3106 8.4617 117.6666 57.7658 40.7616 179.4822 58 I 3.7822 7.6005 119.8186 64.2322 37.0785 178.5667 59 V 3.4247 7.7652 119.2130 65.8625 31.2216 177.7965 60 Q 3.8938 8.2510 119.5696 59.2194 28.8775 177.6472 61 Y 3.9973 7.8478 119.9285 61.1620 38.8111 177.7352 62 H 3.8784 8.4306 117.1673 58.9564 28.7886 177.8416 63 L 4.0203 8.3006 121.0380 57.4687 41.3389 179.0838 64 E 3.9244 8.2339 119.6073 59.0578 29.4726 178.6494 65 L 3.8110 7.6145 120.4960 57.8361 42.0791 178.0203 66 Y 3.9449 8.1503 119.9504 61.6462 38.4896 177.7555 67 T 4.5856 8.1434 116.2182 66.0334 68.5508 176.5209 68 S 4.0842 7.7142 117.8390 61.5985 63.1467 176.7780 69 Q 3.9085 7.1058 118.6922 57.6204 28.8724 176.6268 70 Y 4.4739 7.2050 115.2324 57.7953 39.0508 175.7964 *72 G 4.0995 7.4928 108.7577 45.5901 0.0000 171.9725 73 T 4.2267 8.5634 116.2462 63.2969 68.8257 172.4129 74 P 4.5344 0.0000 0.0000 61.8523 32.9268 176.4239 75 S 4.4948 8.0006 114.9756 58.0163 65.6092 175.4498 76 T 3.9091 8.2115 118.6605 66.6521 68.1961 176.6129 77 E 4.0398 8.1291 120.8590 59.4539 29.6350 179.0037 78 T 3.7448 7.6810 115.2044 66.5862 68.6155 176.5097 79 A 3.9610 7.8414 122.2125 55.1990 18.3038 179.5811 80 A 4.1456 8.1236 119.3453 55.2425 18.3450 179.7717 81 S 4.0436 8.0299 111.8043 61.5725 62.4757 176.6282 82 V 3.5382 7.8643 120.8947 65.8446 31.1446 177.9451 83 F 4.0839 8.0432 117.0306 60.6415 38.8130 177.4211 84 K 3.9575 8.7071 119.5649 59.5728 31.8517 178.4003 85 E 3.9688 8.5097 119.8204 59.2177 29.5950 178.7621 86 L 4.0087 8.0643 118.9662 58.1993 41.5287 179.3687 87 C 4.2359 8.3091 115.5873 62.8484 28.4479 175.4239 88 Y 4.2018 8.3895 121.2463 60.7645 38.3322 177.2534 89 E 4.0496 8.2619 118.6734 58.2658 29.3806 176.8898 90 N 5.0080 7.8178 115.4870 52.4168 39.1871 176.2875 91 K 3.6478 7.8482 121.1307 60.4301 32.6513 178.0864 92 D 4.4138 7.5908 117.1125 56.1307 40.8272 177.1609 *94 N 5.1293 7.8393 115.2106 52.6496 40.0534 173.7950 95 L 5.1085 7.6191 115.9021 53.5469 45.4779 177.0250 96 T 4.7198 8.9774 117.8769 61.3685 69.6132 171.2510 97 A 5.0394 8.2567 124.2415 49.8430 22.8267 175.3591 98 G 4.1204 9.2455 110.1959 43.6907 0.0000 172.0779 99 I 4.9965 8.3615 126.5137 59.2233 40.3168 175.1449 100 I 4.3499 8.3216 127.0386 59.5180 39.4697 174.5562 101 V 4.7594 8.3634 126.9772 61.0727 33.2188 174.6170 102 A 4.8476 9.1122 129.1639 50.3099 22.2734 174.8833 103 G 4.5676 8.6528 107.1049 44.9312 0.0000 171.1147 104 Y 4.6869 9.1641 122.9104 55.4697 40.5147 175.2803 105 D 4.2662 7.7700 124.8440 54.1770 41.5006 175.3616 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 4.43 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 1.31 0.00 0.00 2 S 10.09 4.67 0.00 3.72 3.72 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 3 I 8.15 5.25 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 0.65 0.92 0.00 0.00 4 M 8.71 4.86 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 5 A 8.38 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 8.96 4.55 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 1.11 0.00 0.00 0.93 0.00 0.00 7 T 8.67 4.85 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 1.24 0.00 0.00 8 F 8.56 4.86 0.00 3.26 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 9 K 9.23 3.76 0.00 1.83 2.10 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.52 7.81 10 D 8.33 4.68 0.00 2.59 2.57 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 0.00 11 G 5.38 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 0.00 0.00 0.00 0.00 12 V 8.05 5.10 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 0.77 0.00 0.00 1.05 0.00 0.00 13 I 8.92 4.75 1.86 0.00 0.00 0.51 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 1.01 0.85 0.00 0.00 14 L 8.61 5.15 0.00 1.42 1.56 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.11 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 16 A 8.50 5.64 1.20 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 0.00 0.00 0.00 17 D 8.41 4.81 0.00 2.68 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 18 S 8.36 4.83 0.00 3.94 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 19 R 8.42 5.03 0.00 1.82 2.01 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 1.52 1.49 0.00 20 T 8.77 4.71 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 8.66 5.05 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 22 T 8.91 4.48 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 1.26 0.00 0.00 23 G 8.37 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 24 A 8.69 4.51 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 25 Y 7.57 4.56 0.00 3.05 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 26 I 7.47 4.04 1.58 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 0.81 0.00 0.00 27 A 8.34 4.06 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 28 N 8.18 4.92 0.00 2.67 2.59 0.00 0.00 6.94 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 R 8.61 4.46 0.00 1.90 1.95 0.00 3.00 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 7.97 4.52 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 1.02 0.00 0.00 31 T 8.10 4.02 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 1.23 0.00 0.00 32 D 8.60 4.75 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.43 0.00 1.78 1.98 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.48 7.81 34 L 8.25 5.17 0.00 1.87 1.85 0.92 0.90 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 8.78 4.60 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 1.19 0.00 0.00 36 R 7.90 3.25 0.00 0.67 1.15 0.00 3.05 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 37 V 7.98 4.12 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 0.88 0.00 0.00 1.06 0.00 0.00 38 H 7.49 4.68 0.00 3.01 3.21 0.00 5.94 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.53 4.67 0.00 2.74 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 40 K 8.12 5.06 0.00 1.86 1.99 0.00 1.80 0.00 0.00 2.04 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.58 7.81 41 I 8.27 5.17 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 1.04 0.00 0.00 42 W 9.76 5.52 0.00 3.17 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 9.43 5.30 0.00 2.76 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 44 C 9.16 5.30 0.00 2.81 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 8.66 5.04 0.00 1.72 1.87 0.00 3.16 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 46 S 9.00 4.55 0.00 3.86 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 8.76 4.04 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 0.00 0.00 0.00 48 S 9.19 4.13 0.00 3.83 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 49 A 8.88 3.97 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 7.98 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 8.17 4.31 0.00 2.74 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 8.24 3.99 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 1.29 0.00 0.00 53 Q 8.51 4.00 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 54 A 8.05 4.01 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 55 I 8.03 3.69 2.20 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.51 1.15 0.00 0.00 56 A 8.55 4.06 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 57 D 8.46 4.31 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 58 I 7.60 3.78 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.87 0.95 0.00 0.00 59 V 7.77 3.42 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 -0.01 0.00 0.00 60 Q 8.25 3.89 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 61 Y 7.85 4.00 0.00 3.12 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 62 H 8.43 3.88 0.00 3.34 3.28 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 8.30 4.02 0.00 1.63 1.65 0.85 0.50 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 64 E 8.23 3.92 0.00 2.00 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 0.00 2.21 2.27 0.00 65 L 7.61 3.81 0.00 1.34 1.49 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.15 3.94 0.00 3.25 3.11 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 67 T 8.14 4.59 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 1.24 0.00 0.00 68 S 7.71 4.08 0.00 3.81 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 69 Q 7.11 3.91 0.00 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.12 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 70 Y 7.21 4.47 0.00 2.33 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 *72 G 7.49 4.10 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 0.00 0.00 0.00 73 T 8.56 4.23 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 1.30 0.00 0.00 74 P 0.00 4.53 0.00 1.72 1.31 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 75 S 8.00 4.49 0.00 4.03 4.01 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 76 T 8.21 3.91 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 8.13 4.04 0.00 2.01 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 7.68 3.74 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 0.82 0.00 0.00 79 A 7.84 3.96 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 8.12 4.15 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 81 S 8.03 4.04 0.00 3.98 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 82 V 7.86 3.54 1.94 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 0.83 0.00 0.00 0.86 0.00 0.00 83 F 8.04 4.08 0.00 3.44 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 84 K 8.71 3.96 0.00 1.82 2.11 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.60 7.81 85 E 8.51 3.97 0.00 2.35 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 2.32 2.43 0.00 86 L 8.06 4.01 0.00 1.96 1.75 0.88 0.87 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 87 C 8.31 4.24 0.00 3.11 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 88 Y 8.39 4.20 0.00 3.03 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 89 E 8.26 4.05 0.00 2.39 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 2.39 2.44 0.00 90 N 7.82 5.01 0.00 2.88 2.74 0.00 0.00 6.58 8.83 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 91 K 7.85 3.65 0.00 1.91 2.11 0.00 1.13 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.34 1.32 7.81 92 D 7.59 4.41 0.00 2.62 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 *94 N 7.84 5.13 0.00 2.73 2.87 0.00 0.00 7.05 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 7.62 5.11 0.00 1.62 1.53 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.98 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 8.26 5.04 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 98 G 9.25 4.12 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 0.00 0.00 0.00 99 I 8.36 5.00 1.64 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.14 0.00 0.00 100 I 8.32 4.35 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 1.09 0.61 0.90 0.00 0.00 101 V 8.36 4.76 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 0.92 0.00 0.00 0.61 0.00 0.00 102 A 9.11 4.85 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 0.00 103 G 8.65 4.57 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 0.00 0.00 0.00 0.00 104 Y 9.16 4.69 0.00 2.94 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 7.77 4.27 0.00 2.46 2.22 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 * Residues marked with a * may have inaccurate shift predictions.