NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.8907 8.1633 120.6465 55.5808 34.1277 173.8495 6 I 4.8552 8.5659 126.0798 58.5113 40.9682 172.6523 7 L 5.1436 9.5637 129.8533 53.4605 45.1058 174.9247 8 S 5.3159 9.3648 122.2300 56.8865 66.7345 173.5974 9 V 5.1359 8.5653 115.2471 60.1249 36.0815 174.3225 10 H 5.4346 8.4598 116.8726 54.4522 32.2025 171.9091 11 I 4.6830 8.7338 122.3039 59.3775 39.9808 174.1703 12 L 4.8948 8.7301 129.1574 53.0289 44.5374 174.7614 13 D 4.9651 8.7371 127.6769 54.4327 41.5065 176.4895 14 Q 4.1790 9.4589 128.3529 58.2902 29.1954 177.1554 15 Q 4.2468 8.5618 117.9344 58.2928 28.9455 176.9771 16 T 4.3253 8.1418 105.9197 60.7384 70.4664 175.4620 17 G 3.9414 8.4686 108.9393 45.5215 0.0000 172.8621 18 K 4.7938 7.6635 118.1679 53.2414 35.8460 174.1368 19 P 4.7536 0.0000 0.0000 62.9727 32.0677 176.0454 20 A 4.5866 8.5879 124.8094 50.0933 19.8789 175.0237 21 P 4.4597 0.0000 0.0000 62.7740 33.3229 175.8744 22 G 3.9195 8.7027 107.9083 46.5991 0.0000 173.4002 23 V 4.1420 7.8064 120.6088 61.0041 33.0678 174.8217 24 E 4.2212 8.7446 129.4068 56.1430 31.0520 175.3184 25 V 4.6828 9.1046 126.3174 61.0352 35.1201 173.9238 26 V 4.6239 8.3537 127.7255 61.0617 33.7606 173.7624 27 L 5.0580 8.9867 130.6319 53.7395 43.8823 174.9737 28 E 5.3555 9.5669 124.8796 54.6307 34.3140 174.2270 29 Q 4.5833 9.0402 122.8198 53.8850 32.2884 174.4025 30 K 3.6830 8.3647 130.4554 56.6698 32.5025 176.6312 *31 K 4.6982 8.4800 133.5190 52.8680 35.4881 172.9953 32 D 4.5528 7.9715 115.4497 54.5822 40.1941 173.3660 *34 G 4.0139 7.2893 115.6111 46.2251 0.0000 175.9526 35 W 5.4302 9.0955 123.1599 54.8262 31.2420 174.1062 36 T 4.7670 8.7659 112.5146 59.8293 71.8103 173.0656 37 Q 4.5491 8.8307 123.8486 56.4363 28.8052 175.6984 38 L 4.5598 8.9845 124.7542 56.7971 43.1629 176.3909 39 N 4.9009 7.7561 114.2466 53.0270 42.5322 173.2243 40 T 5.0501 8.5401 118.9487 61.8271 71.9857 173.4067 41 G 4.3538 9.2794 112.5545 44.7879 0.0000 170.6304 42 H 5.5428 8.5564 115.9225 53.5508 32.0812 174.2219 43 T 4.2470 8.8303 114.1823 62.1137 69.9256 174.6528 44 D 4.6391 8.5742 124.3959 52.5950 41.8223 176.3631 45 Q 3.9407 8.7695 116.5979 59.4617 28.7037 177.2001 46 D 4.6754 8.2739 115.0072 53.6894 41.0598 176.5405 47 G 3.9446 8.3756 107.1238 46.4726 0.0000 173.8008 48 R 5.0066 8.6161 118.2620 54.0764 32.7299 175.6640 49 I 4.7714 8.4948 121.8655 59.1832 38.2434 176.6137 50 K 3.8591 8.7690 125.1481 58.3542 32.1521 177.3356 51 A 4.6083 7.6352 121.3619 50.1071 20.1036 175.1400 52 L 4.0308 9.0549 124.8609 57.5562 42.7696 176.8546 53 W 3.3222 8.2221 127.4647 57.4758 28.1628 171.0963 54 P 4.2851 0.0000 0.0000 61.2558 32.0685 176.3196 55 E 4.2398 8.3121 119.7496 57.3029 29.1931 175.7577 56 K 4.7498 8.5221 123.9939 54.3231 36.7522 176.1874 57 A 4.4058 8.7411 123.9753 52.4717 18.9254 176.9396 58 A 4.7935 8.4993 122.2053 50.2071 22.5550 175.6906 59 A 4.3578 8.4469 123.0953 50.6117 19.5152 176.3073 60 P 4.5108 0.0000 0.0000 62.5646 32.4401 177.1393 61 G 3.7270 7.3563 105.6681 44.4565 0.0000 171.2824 62 D 5.1339 7.9936 119.9813 54.0987 42.3114 175.6492 63 Y 5.1110 9.0876 119.9959 56.2537 42.7062 174.3013 64 R 4.7043 8.6186 119.4837 55.0734 34.0756 173.8142 65 V 4.7051 8.7799 119.0633 59.5345 34.8952 174.6001 66 I 4.5586 8.4163 126.4943 59.4776 39.4055 175.0579 67 F 4.5382 9.1583 128.1375 55.8990 39.6151 177.1952 68 K 4.2689 8.7781 129.0130 56.0613 28.2212 177.9974 69 T 4.1554 7.6991 111.4499 63.4341 69.9018 177.3338 70 G 4.1194 8.1569 112.8040 48.2953 0.0000 176.3153 71 Q 4.2357 8.1195 122.9539 59.6114 27.9251 179.5561 72 Y 4.2439 7.4920 119.7117 61.1721 38.9140 178.2571 73 F 4.0523 8.0555 118.3875 60.0716 38.9675 177.4449 74 E 4.0277 8.1855 119.2628 59.2217 29.2468 178.8992 75 S 4.2618 7.7477 112.9170 60.3833 63.2641 175.4843 76 K 4.2186 7.1757 119.7965 54.9750 32.5940 176.1782 77 K 3.8773 7.7778 117.8195 57.7585 30.1523 175.1333 78 L 4.8012 8.2895 116.9541 52.8143 44.4509 177.0401 79 D 4.5991 8.4220 122.1488 54.6841 41.6679 175.5654 80 T 3.7845 7.5186 114.1646 60.4592 70.2059 173.6599 81 F 4.3726 7.5574 128.5819 59.8124 39.5747 175.5005 82 F 4.8899 7.0600 119.2341 54.7119 40.7219 174.1072 83 P 4.4267 0.0000 0.0000 65.5521 31.5958 175.3888 84 E 5.0492 7.4979 113.8321 55.7323 32.3483 175.3817 85 I 4.3443 8.6428 121.4319 58.8350 39.5544 173.1783 86 P 4.9121 0.0000 0.0000 61.9117 32.9684 175.8470 87 V 4.4056 9.0281 122.4468 61.2672 34.2045 173.9616 88 E 4.8862 8.8937 128.2838 55.6428 30.5323 176.0414 89 F 5.1452 8.7417 118.2203 55.6111 42.0198 172.5515 90 H 5.3350 9.0673 119.6359 54.5410 32.2684 173.0232 91 I 4.3729 8.3819 126.3062 59.7949 38.8150 176.2041 92 S 4.3474 8.9808 121.5532 58.9622 64.8729 174.2301 93 K 4.3916 7.8882 121.6848 55.0923 30.8881 176.7421 94 T 4.4046 8.3142 113.3595 62.2431 69.3804 175.7761 95 N 4.5600 8.0890 119.3909 54.9812 38.2705 175.0327 96 E 4.3936 7.7015 117.9036 55.6174 31.6280 174.8910 97 H 4.9892 8.4894 121.8170 55.8646 31.0213 173.7645 98 Y 4.7508 9.4522 124.2337 56.6174 40.4194 174.2652 99 H 5.1120 9.0554 122.4683 54.3933 30.8758 174.5082 100 V 4.4261 8.3759 124.3018 59.4266 30.6486 173.2051 101 P 4.4549 0.0000 0.0000 61.3803 33.4815 174.4386 102 L 4.7888 8.3881 123.6856 53.2376 45.0895 175.2615 103 L 4.9055 9.0147 127.5926 53.6152 43.0398 175.2607 104 L 4.8761 9.1442 127.9755 53.5749 43.6532 175.5871 105 S 5.3264 8.7985 121.7577 56.6020 66.0751 174.6289 106 Q 3.4668 9.6586 120.6346 58.7106 28.4099 178.1538 107 Y 4.7801 7.5914 113.4066 57.0492 39.3656 175.1557 108 G 4.3506 8.4944 105.9766 45.8130 0.0000 172.3533 109 Y 5.3307 7.8318 117.1672 56.2201 40.9353 173.7266 110 S 4.8947 8.9959 115.1223 57.2599 67.1060 173.3341 111 T 5.1652 8.6593 116.3972 60.4728 70.5995 171.5280 112 Y 4.7365 7.5651 121.8873 56.3952 41.6175 172.4234 113 R 4.5254 8.6340 120.2395 55.9228 31.1093 176.4562 114 G 4.2763 9.0193 113.0572 46.2001 0.0000 173.8716 115 S 4.8091 7.7839 121.7801 57.9510 63.1054 173.9645 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 5 M 8.16 4.89 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 6 I 8.57 4.86 1.60 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 1.09 0.96 0.68 0.00 0.00 7 L 9.56 5.14 0.00 1.75 1.63 0.92 0.76 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 8 S 9.36 5.32 0.00 3.64 3.74 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 9 V 8.57 5.14 2.35 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 0.78 0.00 0.00 0.98 0.00 0.00 10 H 8.46 5.43 0.00 3.23 3.34 0.00 5.41 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.73 4.68 1.67 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 0.68 0.91 0.66 0.00 0.00 12 L 8.73 4.89 0.00 1.67 1.52 0.97 1.07 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 13 D 8.74 4.97 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 14 Q 9.46 4.18 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 15 Q 8.56 4.25 0.00 2.48 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.56 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 16 T 8.14 4.33 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 1.30 0.00 0.00 17 G 8.47 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.66 4.79 0.00 1.72 1.70 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.55 7.81 19 P 0.00 4.75 0.00 1.93 2.08 0.00 3.68 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 2.03 2.11 0.00 20 A 8.59 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.46 0.00 2.12 2.13 0.00 4.07 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 22 G 8.70 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 23 V 7.81 4.14 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 0.88 0.00 0.00 0.47 0.00 0.00 24 E 8.74 4.22 0.00 1.98 1.73 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 2.22 1.98 0.00 25 V 9.10 4.68 1.92 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 0.34 0.00 0.00 0.87 0.00 0.00 26 V 8.35 4.62 1.97 0.00 0.00 0.00 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 27 L 8.99 5.06 0.00 1.77 1.72 0.98 0.93 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 28 E 9.57 5.36 0.00 1.79 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 2.37 2.20 0.00 29 Q 9.04 4.58 0.00 1.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 30 K 8.36 3.68 0.00 0.79 1.10 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.79 0.21 7.81 *31 K 8.48 4.70 0.00 1.50 1.56 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.27 1.22 7.81 32 D 7.97 4.55 0.00 2.69 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 *34 G 7.29 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 0.00 0.00 0.00 35 W 9.10 5.43 0.00 3.17 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 36 T 8.77 4.77 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 1.19 0.00 0.00 37 Q 8.83 4.55 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 38 L 8.98 4.56 0.00 1.67 2.03 0.96 1.02 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 39 N 7.76 4.90 0.00 2.93 2.79 0.00 0.00 6.95 7.22 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 40 T 8.54 5.05 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 41 G 9.28 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 42 H 8.56 5.54 0.00 2.98 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.83 4.25 4.21 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 1.25 0.00 0.00 44 D 8.57 4.64 0.00 2.90 2.89 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 45 Q 8.77 3.94 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.37 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 46 D 8.27 4.68 0.00 2.65 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 47 G 8.38 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.62 5.01 0.00 1.83 1.84 0.00 3.06 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 49 I 8.49 4.77 1.88 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 1.44 0.70 0.92 0.00 0.00 50 K 8.77 3.86 0.00 1.75 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.46 7.81 51 A 7.64 4.61 1.17 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 52 L 9.05 4.03 0.00 1.76 1.87 0.91 1.25 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 53 W 8.22 3.32 0.00 3.60 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 54 P 0.00 4.29 0.00 2.01 1.90 0.00 3.31 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 55 E 8.31 4.24 0.00 1.96 1.92 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 2.29 2.37 0.00 56 K 8.52 4.75 0.00 1.11 1.54 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.16 7.81 57 A 8.74 4.41 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 58 A 8.50 4.79 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 59 A 8.45 4.36 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 60 P 0.00 4.51 0.00 2.19 2.08 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 61 G 7.36 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 62 D 7.99 5.13 0.00 2.38 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 63 Y 9.09 5.11 0.00 1.65 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 0.00 0.00 0.00 0.00 64 R 8.62 4.70 0.00 0.72 1.09 0.00 2.42 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.28 0.00 65 V 8.78 4.71 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 0.74 0.00 0.00 0.98 0.00 0.00 66 I 8.42 4.56 1.71 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.67 0.88 0.00 0.00 67 F 9.16 4.54 0.00 2.89 2.82 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 0.00 0.00 0.00 68 K 8.78 4.27 0.00 2.00 1.77 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.59 7.81 69 T 7.70 4.16 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 1.11 0.00 0.00 70 G 8.16 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 71 Q 8.12 4.24 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 72 Y 7.49 4.24 0.00 3.01 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 73 F 8.06 4.05 0.00 3.21 3.17 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 74 E 8.19 4.03 0.00 2.36 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 0.00 2.30 2.19 0.00 75 S 7.75 4.26 0.00 3.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.18 4.22 0.00 1.89 1.83 0.00 1.14 0.00 0.00 1.28 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.19 7.81 77 K 7.78 3.88 0.00 1.89 1.88 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.44 7.81 78 L 8.29 4.80 0.00 1.73 1.46 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.42 4.60 0.00 3.00 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 80 T 7.52 3.78 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 1.33 0.00 0.00 81 F 7.56 4.37 0.00 2.43 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 82 F 7.06 4.89 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 83 P 0.00 4.43 0.00 2.23 2.31 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 84 E 7.50 5.05 0.00 2.06 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 2.12 2.25 0.00 85 I 8.64 4.34 1.58 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.55 -0.05 0.00 0.00 86 P 0.00 4.91 0.00 1.92 1.89 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 1.93 1.90 0.00 87 V 9.03 4.41 2.28 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 1.14 0.00 0.00 1.12 0.00 0.00 88 E 8.89 4.89 0.00 1.93 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 1.94 2.11 0.00 89 F 8.74 5.15 0.00 3.10 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 90 H 9.07 5.34 0.00 3.26 3.27 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.38 4.37 1.73 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.41 0.74 0.00 0.00 92 S 8.98 4.35 0.00 4.03 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 93 K 7.89 4.39 0.00 2.00 1.91 0.00 1.72 0.00 0.00 2.12 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.49 7.81 94 T 8.31 4.40 4.36 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 1.31 0.00 0.00 95 N 8.09 4.56 0.00 2.87 3.03 0.00 0.00 6.11 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 96 E 7.70 4.39 0.00 1.62 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 2.24 2.25 0.00 97 H 8.49 4.99 0.00 3.12 3.11 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 9.45 4.75 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 99 H 9.06 5.11 0.00 2.92 3.17 0.00 5.55 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 0.00 100 V 8.38 4.43 1.92 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 0.82 0.00 0.00 0.23 0.00 0.00 101 P 0.00 4.45 0.00 1.52 1.32 0.00 2.65 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.81 0.00 102 L 8.39 4.79 0.00 0.49 0.67 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 103 L 9.01 4.91 0.00 1.69 1.84 0.99 0.28 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 0.00 104 L 9.14 4.88 0.00 1.67 1.59 0.70 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.80 5.33 0.00 4.14 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 0.00 106 Q 9.66 3.47 0.00 2.04 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.88 0.00 0.00 0.00 0.00 0.00 1.26 2.13 0.00 107 Y 7.59 4.78 0.00 2.81 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 0.00 108 G 8.49 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 0.00 109 Y 7.83 5.33 0.00 2.91 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 9.00 4.89 0.00 3.87 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 0.00 111 T 8.66 5.17 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 1.34 0.00 0.00 112 Y 7.57 4.74 0.00 3.02 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 0.00 113 R 8.63 4.53 0.00 2.01 1.93 0.00 3.31 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 114 G 9.02 4.28 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 0.00 115 S 7.78 4.81 0.00 3.84 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 * Residues marked with a * may have inaccurate shift predictions.