NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4905 8.3049 118.1939 55.1196 32.5762 174.5300 2 Q 4.3387 8.4457 119.4265 53.8936 32.4658 174.2098 3 R 4.4241 9.2826 120.7171 55.0314 30.9083 176.6552 4 V 4.5127 8.1221 116.5200 58.8054 34.2746 175.5126 5 T 4.5607 8.3076 117.9845 61.7556 70.7178 173.8064 6 I 4.5389 8.2770 119.3997 58.9311 40.3581 174.8132 7 T 4.5195 8.3300 111.2322 59.8982 70.1215 173.4119 8 L 4.8146 8.1828 126.0547 51.9902 44.8990 176.7634 9 D 4.5587 8.3698 121.4573 53.6157 41.1007 177.3802 10 D 4.4579 8.7714 123.0530 58.1589 40.7965 179.4734 11 D 4.4067 7.9928 121.2947 58.2643 39.9626 180.9543 12 L 4.1387 8.9786 122.3346 58.2328 42.1966 179.2393 13 L 4.1418 8.0483 120.9085 58.3345 41.3884 180.0632 14 E 4.0952 7.8377 118.2550 61.2022 29.8144 183.0980 15 T 4.1443 8.0274 116.7107 66.1647 68.5630 176.7629 16 L 3.9434 8.3467 122.8499 58.4021 42.0222 178.8683 17 D 4.4714 7.8418 116.9935 56.8695 41.0027 178.6285 18 S 4.2222 7.8027 113.8396 61.3797 62.4284 175.9432 19 L 4.1352 7.9336 122.4941 57.6237 41.5741 178.1535 20 S 4.7957 7.7754 112.7257 59.5785 62.8074 174.7464 21 Q 4.5679 7.9387 119.3909 56.1252 29.9600 176.8374 22 R 4.3616 7.6020 118.4238 56.8355 30.3690 176.9657 23 R 4.0800 7.2767 114.4390 56.9864 33.8219 175.9354 *25 Y 4.8100 7.3032 112.4922 55.8046 39.9670 175.4364 26 N 4.7613 8.4400 130.4270 53.3762 41.2293 175.1672 27 N 4.8646 7.2131 113.5568 50.4836 41.0344 175.0975 28 R 3.8185 8.5881 120.9252 59.8440 30.1095 178.9582 29 S 4.2763 8.1294 114.0588 62.0717 62.8482 176.6844 30 E 3.8583 8.5324 121.0773 58.7641 29.2911 178.7964 31 A 2.5800 7.4888 121.0467 54.6340 18.4210 179.6316 32 I 3.5451 8.3008 119.5261 64.3113 37.1045 178.6026 33 R 3.7958 8.1351 119.8713 59.4479 29.9668 178.0187 34 D 4.2968 7.8108 117.6216 57.3860 41.1826 178.0794 35 I 3.6890 7.5413 120.1478 64.4549 37.1881 177.9094 36 L 3.9128 7.9964 121.0443 58.4359 41.7102 179.1445 37 R 3.9045 8.1637 118.4150 59.6003 29.8231 178.7408 38 S 4.1797 8.0546 113.7901 61.3991 62.7114 176.2021 39 A 4.1635 8.4194 124.0631 55.0219 18.1489 179.6083 40 L 3.8447 8.1539 117.1952 57.3280 41.4873 179.0661 41 A 4.1529 7.5695 120.1930 55.0582 18.2565 178.6541 42 Q 4.4766 7.3650 113.0842 55.8814 29.0224 175.9689 43 E 4.5979 8.1868 119.0788 55.7907 30.1946 176.1758 44 A 4.1562 7.9651 121.3453 52.4773 18.9713 178.0365 45 T 4.3738 8.1732 116.6770 62.8563 69.1809 175.2197 46 Q 4.1705 9.3569 127.0234 55.7705 29.0931 175.8495 47 Q 4.3590 8.4592 121.5906 54.7280 30.0005 174.8908 48 H 4.4026 8.7643 122.3915 56.5688 30.5277 173.2162 49 G 3.6209 8.1738 119.8935 46.0994 0.0000 174.7935 50 T 4.1210 7.5922 110.9231 61.0866 69.8275 173.6361 51 Q 5.3894 8.2254 121.0356 52.9918 32.1784 175.9935 52 G 3.8897 7.0702 104.1487 46.4105 0.0000 170.2822 53 F 5.4084 7.8923 118.0731 56.3609 43.8099 173.6296 54 A 4.9268 8.6210 118.1669 51.5520 23.1244 175.8633 55 V 4.7365 8.4301 119.9015 61.1668 34.2798 174.1582 56 L 5.2184 9.0966 131.8030 53.4634 43.9349 175.1576 57 S 5.3928 9.1929 121.6141 57.0400 66.5601 172.5730 58 Y 5.0926 8.0327 118.8973 56.6495 41.8695 172.8867 59 V 5.1973 8.7833 119.1400 61.6093 35.0531 173.6765 60 Y 5.1029 8.2975 121.9667 56.1021 41.8128 173.2237 61 E 5.2857 9.0436 121.0433 55.5207 30.5496 176.5848 62 H 4.8177 8.8515 122.5026 56.4626 28.6764 176.4899 63 E 4.1702 7.6975 116.3861 56.8041 30.3579 180.3756 64 K 4.5795 7.7252 117.3693 55.5726 33.8167 177.2478 65 R 4.1062 8.7018 126.8835 59.5502 30.2138 179.4615 66 D 4.3595 8.0122 120.7869 58.4021 39.9865 181.9223 67 L 4.1477 7.9137 121.5618 57.6869 42.2447 178.3702 68 A 4.1381 8.2043 120.8489 55.6503 18.3574 179.6791 69 S 4.1198 8.5312 111.7410 61.1247 62.2650 176.4144 70 R 3.9089 7.9379 123.8362 60.1647 29.7896 179.2939 71 I 3.7313 8.2794 122.7956 65.6409 35.2875 181.0027 72 V 4.1493 8.0036 123.1942 66.3573 31.3634 182.1683 73 S 4.3471 8.1679 118.3283 63.8883 62.0870 179.8422 74 T 4.2210 7.5261 115.6404 64.7261 67.4102 176.0535 75 Q 4.3560 7.9240 119.1535 59.3373 28.8691 178.0703 76 H 4.1429 8.2684 116.7385 59.3435 28.6946 177.4678 77 H 4.4178 8.4815 118.4170 58.2386 30.1184 174.5820 78 H 4.7042 7.9825 120.7628 55.4384 30.4563 174.6561 79 H 4.1012 8.2770 118.3828 58.5592 28.4518 177.5287 80 D 4.2866 7.6968 118.2971 56.0323 39.7363 182.5259 81 L 4.6447 7.5377 117.5608 55.7755 42.0597 176.8529 82 S 4.5363 7.5279 114.0179 57.9548 62.9686 173.2899 83 V 4.2515 8.3341 127.0937 63.8828 32.9812 175.7886 84 A 4.5244 7.1232 118.7388 51.7605 21.9150 175.3369 85 T 5.0492 8.7257 116.5087 61.6304 72.1233 173.0763 86 L 4.8029 9.3220 128.2973 53.6010 44.6413 174.6264 87 H 5.3264 8.8077 122.1294 54.0813 31.3903 173.6111 88 V 4.2703 8.5646 121.8797 61.5494 34.9606 173.8119 89 H 4.6188 8.7779 126.1563 55.9747 28.6880 175.3192 90 I 4.1048 8.4107 118.9571 61.3791 38.1670 174.6558 91 N 4.5136 7.5171 117.3423 52.3620 39.3559 174.2798 92 H 4.1911 9.0544 117.5880 58.8427 29.8617 175.2199 93 D 4.7187 8.0475 117.8835 54.3899 42.5911 175.4469 94 D 5.1948 9.2474 120.2672 52.8826 43.3051 175.1091 95 C 4.9177 8.6986 123.2771 57.3972 34.2731 172.0865 96 L 4.7838 9.8042 129.0247 53.8685 43.3642 174.4149 97 E 4.7428 9.0140 128.2117 54.3167 32.0528 174.4358 98 I 4.8274 9.0201 127.6185 59.6211 40.1459 174.2540 99 A 5.0034 9.2271 130.5945 50.1339 21.1363 175.5482 100 V 4.4271 8.8697 124.3291 62.5205 32.7866 175.1552 101 L 5.2601 9.1123 128.3799 53.3444 44.9822 175.4404 102 K 4.3142 9.4300 121.7581 55.3709 35.9425 174.0754 103 G 3.7586 7.7554 112.1627 44.4936 0.0000 173.3939 104 D 4.7596 8.6157 124.1578 54.2310 42.2087 177.1067 105 M 3.9666 9.0124 128.2371 58.3945 32.0727 179.1318 106 G 3.6370 8.2915 106.1796 47.7670 0.0000 175.6872 107 D 4.4280 8.1004 120.8446 56.8958 40.9718 178.6530 108 V 3.6305 8.5025 119.4177 66.3055 31.5241 177.9730 109 Q 3.9687 8.2494 119.1293 59.2230 28.6288 177.5303 110 H 4.1092 7.9914 118.3640 59.0687 30.2286 176.7054 111 F 4.2690 8.5822 122.5074 61.3995 39.2100 176.8684 112 A 3.6181 8.1254 120.3344 55.2704 17.9008 179.3770 113 D 4.1842 7.7824 116.3783 57.1650 40.8880 178.5534 114 D 4.3168 7.4893 119.2276 57.3208 40.8071 178.5466 115 V 3.2632 7.1752 117.9958 66.0917 31.2460 177.7485 116 I 3.4214 7.4240 118.4515 63.8025 37.1897 176.9770 117 A 4.2713 7.2497 121.2955 52.8505 19.6739 177.0581 118 Q 3.9066 7.8947 118.9727 55.8158 29.2253 176.8202 *120 G 3.9527 8.5402 113.8024 44.9482 0.0000 172.8420 121 V 4.0102 7.2713 120.2800 62.7465 32.1863 175.2034 122 R 4.6481 8.6558 124.6971 55.0339 33.6948 174.6176 123 H 4.3721 8.8218 112.8290 56.5523 26.5133 175.2357 124 G 3.8883 8.1510 106.0714 46.8095 0.0000 173.2880 125 H 5.0892 9.7789 124.9461 54.2011 33.7408 171.5232 126 L 4.9863 8.3057 126.6026 53.3765 44.5140 175.3714 127 Q 4.4970 8.9391 128.7821 54.3116 30.0631 173.8569 128 C 4.5395 8.5222 123.6295 59.4941 29.2387 174.1891 129 L 4.8457 8.7473 122.2181 51.7447 41.4865 173.8581 130 P 4.6723 0.0000 0.0000 62.2376 32.4925 176.5323 131 K 4.1990 9.0807 125.3136 56.6637 32.9567 176.6148 132 E 4.2952 8.6197 123.0973 56.4758 29.6958 175.6265 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 4.49 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 Q 8.45 4.34 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 3 R 9.28 4.42 0.00 1.82 1.74 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.00 4 V 8.12 4.51 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 0.93 0.00 0.00 0.92 0.00 0.00 5 T 8.31 4.56 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 1.20 0.00 0.00 6 I 8.28 4.54 1.86 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 1.46 0.65 0.90 0.00 0.00 7 T 8.33 4.52 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 8 L 8.18 4.81 0.00 1.61 1.58 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.37 4.56 0.00 2.87 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 10 D 8.77 4.46 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 11 D 7.99 4.41 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.98 4.14 0.00 2.02 1.71 0.97 0.90 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 13 L 8.05 4.14 0.00 1.86 1.72 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.84 4.10 0.00 1.96 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 0.00 2.24 2.21 0.00 15 T 8.03 4.14 4.38 0.00 0.00 0.00 0.00 0.00 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 16 L 8.35 3.94 0.00 1.89 1.85 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.84 4.47 0.00 2.74 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 18 S 7.80 4.22 0.00 3.98 4.09 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 0.00 0.00 0.00 0.00 19 L 7.93 4.14 0.00 1.87 1.89 0.95 1.19 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 20 S 7.78 4.80 0.00 4.14 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 21 Q 7.94 4.57 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.35 0.00 22 R 7.60 4.36 0.00 1.71 1.97 0.00 3.10 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 23 R 7.28 4.08 0.00 0.92 1.08 0.00 3.19 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 *25 Y 7.30 4.81 0.00 3.02 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 26 N 8.44 4.76 0.00 3.05 2.89 0.00 0.00 6.66 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 27 N 7.21 4.86 0.00 2.94 2.87 0.00 0.00 6.15 7.66 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 28 R 8.59 3.82 0.00 1.84 2.01 0.00 3.15 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 29 S 8.13 4.28 0.00 4.07 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 30 E 8.53 3.86 0.00 2.01 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 2.28 2.32 0.00 31 A 7.49 2.58 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.30 3.55 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 0.87 0.00 0.00 33 R 8.14 3.80 0.00 2.01 1.98 0.00 3.07 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 34 D 7.81 4.30 0.00 2.86 2.54 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 35 I 7.54 3.69 1.85 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 1.47 0.70 0.92 0.00 0.00 36 L 8.00 3.91 0.00 2.00 1.78 0.91 0.73 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 37 R 8.16 3.90 0.00 1.99 2.10 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 38 S 8.05 4.18 0.00 4.04 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 39 A 8.42 4.16 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 40 L 8.15 3.84 0.00 1.73 1.73 0.94 0.63 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 41 A 7.57 4.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.36 4.48 0.00 1.89 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.26 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 43 E 8.19 4.60 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 2.24 2.36 0.00 44 A 7.97 4.16 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 45 T 8.17 4.37 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 46 Q 9.36 4.17 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 47 Q 8.46 4.36 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.08 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 48 H 8.76 4.40 0.00 3.11 3.22 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.17 3.62 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 0.00 0.00 0.00 50 T 7.59 4.12 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 51 Q 8.23 5.39 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 52 G 7.07 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 0.00 0.00 0.00 53 F 7.89 5.41 0.00 2.90 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 54 A 8.62 4.93 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 55 V 8.43 4.74 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 1.07 0.00 0.00 0.98 0.00 0.00 56 L 9.10 5.22 0.00 1.86 1.79 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.19 5.39 0.00 3.85 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 58 Y 8.03 5.09 0.00 3.29 3.09 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 0.00 0.00 0.00 0.00 59 V 8.78 5.20 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 1.13 0.00 0.00 0.99 0.00 0.00 60 Y 8.30 5.10 0.00 3.18 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 61 E 9.04 5.29 0.00 2.00 1.93 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 2.70 2.19 0.00 62 H 8.85 4.82 0.00 3.28 3.10 0.00 5.51 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.70 4.17 0.00 1.95 1.89 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 2.21 2.14 0.00 64 K 7.73 4.58 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.47 1.53 7.81 65 R 8.70 4.11 0.00 1.87 2.00 0.00 3.14 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 66 D 8.01 4.36 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 4.15 0.00 1.81 1.81 0.91 1.23 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 68 A 8.20 4.14 1.57 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 69 S 8.53 4.12 0.00 3.91 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 70 R 7.94 3.91 0.00 2.13 2.03 0.00 3.10 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 71 I 8.28 3.73 1.87 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 1.38 0.56 0.91 0.00 0.00 72 V 8.00 4.15 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 0.71 0.00 0.00 0.93 0.00 0.00 73 S 8.17 4.35 0.00 3.75 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 74 T 7.53 4.22 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 1.32 0.00 0.00 75 Q 7.92 4.36 0.00 2.53 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.63 2.73 0.00 76 H 8.27 4.14 0.00 3.35 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.48 4.42 0.00 3.23 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.98 4.70 0.00 3.21 2.48 0.00 5.66 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 79 H 8.28 4.10 0.00 3.36 3.63 0.00 5.53 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.70 4.29 0.00 2.72 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 L 7.54 4.64 0.00 1.35 1.56 0.53 0.45 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 82 S 7.53 4.54 0.00 3.83 3.87 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 83 V 8.33 4.25 2.26 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 0.89 0.00 0.00 0.97 0.00 0.00 84 A 7.12 4.52 1.24 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 0.00 0.00 85 T 8.73 5.05 4.33 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 1.21 0.00 0.00 86 L 9.32 4.80 0.00 1.70 1.47 0.93 0.31 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 87 H 8.81 5.33 0.00 2.93 3.08 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.56 4.27 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 0.91 0.00 0.00 0.90 0.00 0.00 89 H 8.78 4.62 0.00 3.16 3.17 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.41 4.10 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 1.44 0.56 0.88 0.00 0.00 91 N 7.52 4.51 0.00 2.92 2.94 0.00 0.00 5.87 7.90 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 92 H 9.05 4.19 0.00 3.08 3.41 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.05 4.72 0.00 2.79 2.65 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 94 D 9.25 5.19 0.00 2.52 2.54 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 95 C 8.70 4.92 0.00 2.47 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 0.00 0.00 0.00 96 L 9.80 4.78 0.00 1.77 1.65 0.93 0.61 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 97 E 9.01 4.74 0.00 1.70 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 1.91 1.78 0.00 98 I 9.02 4.83 1.84 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 1.11 0.81 0.92 0.00 0.00 99 A 9.23 5.00 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 0.00 100 V 8.87 4.43 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 1.20 0.00 0.00 0.99 0.00 0.00 101 L 9.11 5.26 0.00 1.64 1.56 1.13 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 102 K 9.43 4.31 0.00 1.03 1.25 0.00 1.22 0.00 0.00 1.41 0.00 0.00 2.64 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.82 0.21 7.81 103 G 7.76 3.76 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 0.00 0.00 0.00 104 D 8.62 4.76 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.01 3.97 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 106 G 8.29 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 0.00 107 D 8.10 4.43 0.00 2.82 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 0.00 108 V 8.50 3.63 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 1.05 0.00 0.00 0.93 0.00 0.00 109 Q 8.25 3.97 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 110 H 7.99 4.11 0.00 3.32 3.54 0.00 6.01 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.58 4.27 0.00 2.93 3.26 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 0.00 112 A 8.13 3.62 1.28 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 0.00 0.00 113 D 7.78 4.18 0.00 2.72 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 0.00 114 D 7.49 4.32 0.00 2.60 2.55 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 0.00 115 V 7.18 3.26 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 0.05 0.00 0.00 0.27 0.00 0.00 116 I 7.42 3.42 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.86 0.00 0.00 117 A 7.25 4.27 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 0.00 118 Q 7.89 3.91 0.00 2.22 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.36 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 *120 G 8.54 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 0.00 121 V 7.27 4.01 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 0.64 0.00 0.00 0.75 0.00 0.00 122 R 8.66 4.65 0.00 1.86 1.55 0.00 3.36 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 123 H 8.82 4.37 0.00 3.34 3.38 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.15 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 0.00 0.00 0.00 125 H 9.78 5.09 0.00 3.21 3.16 0.00 5.72 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 0.00 126 L 8.31 4.99 0.00 1.59 1.44 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.94 4.50 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 128 C 8.52 4.54 0.00 2.92 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 0.00 129 L 8.75 4.85 0.00 1.78 1.59 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.67 0.00 1.96 2.02 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 131 K 9.08 4.20 0.00 1.86 1.78 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.45 7.81 132 E 8.62 4.30 0.00 2.07 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 2.31 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.