NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2064 8.1727 122.0606 56.3472 34.0572 173.9885 2 V 4.5737 8.3192 127.8174 60.9493 31.9636 174.5736 3 F 4.2755 9.3670 128.1837 57.2215 40.0354 175.6954 4 G 3.7619 9.0968 109.7529 45.9520 0.0000 174.8311 5 R 3.3570 8.6850 119.9651 59.6407 30.1429 179.6142 6 C 4.3248 8.0752 115.7209 59.6041 34.8201 175.3127 7 E 3.9007 8.2038 120.6834 59.4666 29.0793 178.6732 8 L 3.6999 8.1722 120.0926 57.8540 42.0940 178.5323 9 A 3.9346 8.0878 120.6479 55.3170 18.2389 179.5493 10 A 3.9507 8.2632 119.0249 55.0588 18.4069 179.8035 11 A 3.8892 7.9260 119.1107 55.5850 18.4122 179.8113 12 M 3.8590 8.2436 117.6338 58.1361 31.9277 178.9768 13 K 3.8350 8.0711 119.8370 59.4386 32.2065 178.6059 14 R 3.8378 7.7801 117.7954 59.8444 29.9915 177.2780 15 H 4.6031 7.7731 112.3674 55.5160 28.7875 175.6123 16 G 3.7976 7.9606 108.8250 46.3108 0.0000 175.0740 17 L 3.6523 7.7995 121.3512 55.5315 42.0098 176.3991 18 D 4.5689 7.9719 118.0075 55.2748 41.1586 174.8327 19 N 4.3923 9.3613 123.4487 54.1280 37.0197 173.4624 20 Y 4.2658 8.3817 120.8804 59.0172 39.0099 176.2388 21 R 3.3660 9.1318 124.9352 57.1392 27.8623 177.1454 22 G 3.7884 8.3933 104.4454 45.4944 0.0000 173.5883 23 Y 4.4236 7.9934 119.0448 56.0605 38.6749 175.7480 24 S 4.8337 8.5939 119.8711 57.8770 64.1214 174.9186 25 L 4.3593 8.5656 122.3403 58.6225 41.6290 179.7811 26 G 3.8879 8.6973 105.5602 47.7402 0.0000 175.3097 27 N 4.5130 8.4685 118.7987 56.3132 38.5041 177.4662 28 W 3.9129 8.0786 120.2590 59.4524 29.0637 178.9349 29 V 3.5919 7.8239 117.8665 66.0605 31.2350 178.4122 30 C 2.8214 8.2287 118.1826 59.0173 41.9084 175.2619 31 A 3.9473 8.0577 122.2316 55.2964 17.8963 179.4904 32 A 4.0936 7.9234 120.5863 54.4103 18.3194 179.5701 33 K 2.4800 7.6272 118.2473 59.0637 31.7958 178.4510 34 F 4.6780 7.1033 114.4017 58.4849 39.5016 177.9307 35 E 4.2763 8.3800 118.8884 58.6387 29.8408 177.6755 36 S 4.5695 7.9623 109.8748 56.6390 64.2646 173.4960 37 N 3.7084 8.9104 118.2826 54.7478 37.7693 174.2037 38 F 4.1148 8.0912 110.5969 57.6428 36.7151 173.7261 39 N 5.3058 7.9305 120.9800 51.9110 39.3335 175.8661 40 T 4.0524 9.0359 117.7934 64.3268 69.0134 175.6993 41 Q 4.4018 8.2218 119.2139 55.7365 29.3537 175.6706 42 A 4.3417 7.8903 121.9452 52.4206 19.3600 176.9899 43 T 5.0308 8.3166 110.9725 60.1979 72.3908 173.2028 44 N 4.9240 8.5113 120.1702 51.9252 43.2789 173.9640 45 R 4.5053 8.6678 124.3195 56.3147 31.2925 175.0469 46 N 5.2137 8.9488 122.5027 51.3615 41.5129 176.0920 47 T 3.8666 8.6518 111.4018 64.6812 68.9651 174.8603 48 D 4.4943 8.0131 119.0007 53.5419 39.7053 176.9778 49 G 3.9294 8.3088 109.4098 45.1001 0.0000 173.9386 50 S 4.6756 8.2265 114.8745 57.5935 65.1261 173.1932 51 T 5.0288 9.0668 116.2302 61.9074 72.5651 172.9627 52 D 5.3504 8.8901 125.3745 53.4413 43.1348 175.1142 53 Y 4.9234 9.1776 120.2284 57.6170 41.8260 176.5982 54 G 4.2843 9.2621 110.9947 45.5653 0.0000 173.4436 55 I 4.1967 8.2647 116.2981 62.7647 38.0462 177.5719 56 L 4.6231 7.7911 117.1429 53.6373 42.6090 176.0941 57 Q 3.6987 7.9642 116.0558 57.1619 26.6465 174.2383 58 I 4.2386 8.0808 118.8575 61.1848 39.0848 176.4406 59 N 5.6320 9.1691 125.6655 52.8098 40.3871 175.2644 60 S 5.0063 9.1824 119.6525 59.1861 63.4678 175.1226 61 R 3.8211 8.9788 122.9975 58.8393 30.3683 178.1201 62 W 4.0856 8.1712 117.3430 56.8893 30.7217 177.4259 63 W 4.9738 8.3628 117.3511 57.3991 31.5546 173.7361 64 C 5.6240 8.2003 112.1166 53.5335 44.5889 172.3834 65 N 5.1898 9.0044 119.5106 52.2291 39.8301 174.8703 66 D 4.7106 8.7436 123.8112 52.4985 40.3106 177.0422 67 G 3.9957 8.5785 108.2391 46.0317 0.0000 174.4958 68 R 4.5489 8.2601 113.5068 55.6145 30.7275 174.8181 69 T 4.4584 7.6227 116.1690 61.2822 69.7335 172.3605 70 P 4.2951 0.0000 0.0000 63.7566 31.8850 176.9867 71 G 3.6669 8.6657 108.9766 45.4411 0.0000 173.6638 72 S 4.1155 7.2743 113.2055 58.6117 62.6054 174.1628 73 R 4.1673 8.2685 125.6799 55.3756 31.9815 175.6653 74 N 4.1777 7.9976 116.1104 54.5812 37.1171 175.0446 75 L 4.1241 8.2571 117.7222 57.5579 42.3586 178.1706 76 C 4.5567 8.8269 114.7815 56.3850 40.9707 172.9476 77 N 4.1618 8.1645 117.5852 53.7053 37.1887 173.1485 78 I 4.5445 8.3812 118.3719 58.7453 42.3452 172.0365 79 P 4.7123 0.0000 0.0000 62.5748 31.9301 178.2420 80 C 4.0354 8.8000 120.7572 59.9908 40.4652 176.8137 81 S 3.8827 7.8901 115.0838 61.0284 62.4913 176.0835 82 A 4.1169 7.7117 123.3694 54.3245 18.1697 177.8936 83 L 4.3693 7.9522 116.7502 55.1747 41.6988 177.7987 84 L 5.5340 7.6072 117.0745 53.7406 42.6015 176.7661 85 S 4.4335 7.7735 113.5623 57.5937 63.0563 174.0158 86 S 4.2435 8.5426 118.6557 60.8503 62.9919 174.0381 87 D 4.6113 7.9217 121.4327 53.5629 41.0565 176.0711 88 I 4.1690 8.3614 120.0465 61.2825 37.8914 177.1211 89 T 3.4953 8.1381 119.3515 67.2155 68.3450 175.9677 90 A 3.9290 7.8299 121.6132 55.2117 18.4543 179.4834 91 S 4.0503 8.0059 113.2319 61.8479 62.8319 177.1443 92 V 3.2849 7.9816 121.0806 65.8969 30.7847 177.6007 93 N 4.0898 8.2525 116.6918 56.6483 38.3268 176.5572 94 C 4.2520 8.2768 119.3786 59.4898 44.0480 175.4271 95 A 3.9942 8.2901 122.8085 55.0603 17.6690 179.7510 96 K 3.7876 7.9288 119.0964 60.0798 32.1603 180.0324 97 K 4.2125 7.6678 122.8902 59.5684 31.7457 181.4954 98 I 3.0292 7.4495 121.1171 64.0016 36.8936 178.8359 99 V 3.9959 8.2379 119.2699 63.8938 31.1543 177.3715 100 S 4.6622 7.5059 114.4098 59.1127 63.1140 174.6964 101 D 4.6638 8.3084 121.0034 54.7597 41.1496 176.5825 102 G 4.1754 7.5560 115.1778 46.3665 0.0000 173.0711 103 N 4.6593 7.8572 117.9303 51.9414 39.6879 175.4615 104 G 3.9981 7.7659 105.7955 46.5258 0.0000 175.5029 105 M 4.0747 7.8797 120.4780 56.2221 31.8435 177.8125 106 N 4.7443 7.8200 115.9161 55.4172 38.8260 176.1505 107 A 3.7831 7.3012 120.0002 53.8836 18.5443 177.8139 108 W 4.6396 8.0365 116.6695 55.1679 29.8914 177.0192 109 V 3.6979 8.4524 124.7435 65.9573 31.1061 177.6162 110 A 4.0509 8.6938 120.6597 54.6108 18.1940 179.3107 111 W 4.0522 8.3849 126.5340 60.6973 30.6242 177.7832 112 R 3.5620 8.4748 117.5090 59.5552 29.6127 177.6563 113 N 4.5527 8.1003 113.8143 54.3574 38.9567 175.9959 114 R 4.4593 7.8681 115.9616 55.4249 32.6035 175.1782 115 C 4.7228 7.6752 113.7626 57.8276 42.5820 174.2254 116 K 3.2224 6.8309 120.6381 57.7516 31.5735 176.8779 117 G 3.8498 8.8414 114.3696 45.5991 0.0000 172.8812 118 T 4.3786 7.4490 109.9547 60.1975 70.9808 176.0930 119 D 4.6684 8.1677 120.6435 53.9793 38.8471 176.2666 120 V 4.1573 7.9899 117.6551 63.4030 32.2123 177.2475 121 Q 4.1744 8.2495 116.9603 57.9385 28.5606 177.8498 122 A 4.0074 8.0786 121.9297 54.7351 18.0823 179.2554 123 W 4.3518 8.3419 116.6205 58.3397 29.2083 176.9468 124 I 4.4961 7.7313 114.5067 60.8958 37.4043 176.1852 125 R 4.0068 7.5777 119.7369 58.0842 29.5930 180.2317 126 G 4.1530 8.9381 109.9781 45.0924 0.0000 174.7783 127 C 4.4722 7.4633 116.3698 56.5555 40.8122 173.7886 128 R 4.2026 8.3101 126.0014 55.0184 29.3923 176.5006 *129 L 4.1530 8.1596 122.9162 54.1116 41.6082 175.4502 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 K 8.17 4.21 0.00 1.80 1.78 0.00 1.34 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 1.16 7.81 2 V 8.32 4.57 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 0.95 0.00 0.00 0.99 0.00 0.00 3 F 9.37 4.28 0.00 2.96 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 4 G 9.10 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 5 R 8.69 3.36 0.00 2.10 2.01 0.00 3.71 0.00 0.00 3.81 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 6 C 8.08 4.32 0.00 3.01 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 7 E 8.20 3.90 0.00 2.03 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 2.59 2.40 0.00 8 L 8.17 3.70 0.00 1.40 1.36 0.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.09 3.93 1.42 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 0.00 0.00 0.00 10 A 8.26 3.95 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 11 A 7.93 3.89 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 12 M 8.24 3.86 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 13 K 8.07 3.84 0.00 1.91 1.93 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 14 R 7.78 3.84 0.00 1.82 1.93 0.00 3.20 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 15 H 7.77 4.60 0.00 3.00 3.13 0.00 5.93 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.96 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 0.00 0.00 0.00 17 L 7.80 3.65 0.00 1.36 0.50 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.97 4.57 0.00 2.66 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 19 N 9.36 4.39 0.00 3.05 2.94 0.00 0.00 6.24 7.61 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 20 Y 8.38 4.27 0.00 3.18 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 21 R 9.13 3.37 0.00 2.30 2.12 0.00 3.40 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.63 0.00 22 G 8.39 3.79 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 0.00 0.00 0.00 23 Y 7.99 4.42 0.00 3.32 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 24 S 8.59 4.83 0.00 4.21 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 25 L 8.57 4.36 0.00 2.11 1.83 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.70 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 27 N 8.47 4.51 0.00 2.82 2.65 0.00 0.00 6.92 7.15 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 28 W 8.08 3.91 0.00 3.47 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 29 V 7.82 3.59 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 1.31 0.00 0.00 1.02 0.00 0.00 30 C 8.23 2.82 0.00 2.66 3.14 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 0.00 0.00 0.00 0.00 31 A 8.06 3.95 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 32 A 7.92 4.09 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 33 K 7.63 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.10 4.68 0.00 3.02 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 35 E 8.38 4.28 0.00 1.96 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 0.00 2.56 2.53 0.00 36 S 7.96 4.57 0.00 4.14 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 37 N 8.91 3.71 0.00 2.76 2.87 0.00 0.00 7.19 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 38 F 8.09 4.11 0.00 3.29 3.21 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 39 N 7.93 5.31 0.00 2.89 2.94 0.00 0.00 6.97 7.26 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 40 T 9.04 4.05 4.49 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 1.45 0.00 0.00 41 Q 8.22 4.40 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 42 A 7.89 4.34 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 43 T 8.32 5.03 3.90 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 1.17 0.00 0.00 44 N 8.51 4.92 0.00 2.72 2.67 0.00 0.00 6.70 7.79 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 45 R 8.67 4.51 0.00 1.79 1.80 0.00 3.18 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 46 N 8.95 5.21 0.00 2.87 2.69 0.00 0.00 6.73 6.88 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 47 T 8.65 3.87 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 48 D 8.01 4.49 0.00 2.78 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 49 G 8.31 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 50 S 8.23 4.68 0.00 3.97 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 51 T 9.07 5.03 4.39 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 0.63 0.00 0.00 52 D 8.89 5.35 0.00 2.64 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.18 4.92 0.00 2.91 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 54 G 9.26 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 55 I 8.26 4.20 1.86 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 1.31 1.85 0.83 0.00 0.00 56 L 7.79 4.62 0.00 1.70 1.73 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.96 3.70 0.00 2.50 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.84 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 58 I 8.08 4.24 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.02 1.07 0.00 0.00 59 N 9.17 5.63 0.00 3.00 3.07 0.00 0.00 6.98 7.82 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 60 S 9.18 5.01 0.00 3.99 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 61 R 8.98 3.82 0.00 1.79 2.14 0.00 2.58 0.00 0.00 3.02 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.00 62 W 8.17 4.09 0.00 2.41 1.74 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 63 W 8.36 4.97 0.00 3.55 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.20 5.62 0.00 3.13 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.00 5.19 0.00 2.82 2.68 0.00 0.00 7.05 8.38 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 66 D 8.74 4.71 0.00 2.78 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 67 G 8.58 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 0.00 0.00 0.00 68 R 8.26 4.55 0.00 1.90 1.97 0.00 3.06 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 69 T 7.62 4.46 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 1.21 0.00 0.00 70 P 0.00 4.30 0.00 1.97 1.93 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 71 G 8.67 3.67 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 0.00 0.00 0.00 72 S 7.27 4.12 0.00 3.96 3.70 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 73 R 8.27 4.17 0.00 1.82 1.89 0.00 3.42 0.00 0.00 2.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.18 0.00 74 N 8.00 4.18 0.00 2.86 2.74 0.00 0.00 7.25 6.66 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 75 L 8.26 4.12 0.00 1.89 1.93 0.78 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.83 4.56 0.00 3.22 3.19 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 77 N 8.16 4.16 0.00 2.78 2.80 0.00 0.00 6.83 7.97 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 78 I 8.38 4.54 1.88 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 1.29 1.18 0.94 0.00 0.00 79 P 0.00 4.71 0.00 2.16 1.91 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 80 C 8.80 4.04 0.00 2.09 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 81 S 7.89 3.88 0.00 4.05 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 82 A 7.71 4.12 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 83 L 7.95 4.37 0.00 1.91 1.77 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.61 5.53 0.00 1.80 1.75 1.09 0.91 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 85 S 7.77 4.43 0.00 3.85 3.79 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 86 S 8.54 4.24 0.00 4.01 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 87 D 7.92 4.61 0.00 2.71 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 88 I 8.36 4.17 1.68 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.89 0.70 0.00 0.00 89 T 8.14 3.50 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 1.14 0.00 0.00 90 A 7.83 3.93 1.29 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 0.00 0.00 0.00 91 S 8.01 4.05 0.00 3.95 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 92 V 7.98 3.28 1.76 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 0.72 0.00 0.00 0.67 0.00 0.00 93 N 8.25 4.09 0.00 2.85 2.80 0.00 0.00 6.71 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 94 C 8.28 4.25 0.00 3.07 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 95 A 8.29 3.99 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 96 K 7.93 3.79 0.00 1.65 1.57 0.00 1.31 0.00 0.00 1.18 0.00 0.00 2.20 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.87 7.81 97 K 7.67 4.21 0.00 1.80 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 98 I 7.45 3.03 1.57 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.34 -0.11 0.00 0.00 99 V 8.24 4.00 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 1.38 0.00 0.00 0.87 0.00 0.00 100 S 7.51 4.66 0.00 4.04 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 0.00 101 D 8.31 4.66 0.00 3.04 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 0.00 102 G 7.56 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 7.86 4.66 0.00 2.82 2.73 0.00 0.00 7.06 7.99 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 0.00 104 G 7.77 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 0.00 0.00 0.00 105 M 7.88 4.07 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.02 0.00 106 N 7.82 4.74 0.00 2.96 3.00 0.00 0.00 6.88 7.07 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 0.00 107 A 7.30 3.78 0.70 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 0.00 0.00 108 W 8.04 4.64 0.00 3.59 3.25 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 0.00 109 V 8.45 3.70 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 1.13 0.00 0.00 0.98 0.00 0.00 110 A 8.69 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.38 4.05 0.00 3.35 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.47 3.56 0.00 2.08 2.17 0.00 3.36 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 113 N 8.10 4.55 0.00 2.78 2.78 0.00 0.00 6.87 7.28 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 0.00 114 R 7.87 4.46 0.00 1.66 1.30 0.00 2.86 0.00 0.00 2.89 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 0.00 115 C 7.68 4.72 0.00 2.44 2.94 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 0.00 116 K 6.83 3.22 0.00 0.79 1.21 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.19 1.06 7.81 117 G 8.84 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 0.00 118 T 7.45 4.38 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 1.26 0.00 0.00 119 D 8.17 4.67 0.00 2.83 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 0.00 120 V 7.99 4.16 2.43 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 1.07 0.00 0.00 1.13 0.00 0.00 121 Q 8.25 4.17 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 122 A 8.08 4.01 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 0.00 123 W 8.34 4.35 0.00 3.59 3.40 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 0.00 124 I 7.73 4.50 1.94 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 1.32 1.37 1.03 0.00 0.00 125 R 7.58 4.01 0.00 1.88 1.76 0.00 3.26 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 126 G 8.94 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 0.00 0.00 0.00 0.00 127 C 7.46 4.47 0.00 3.03 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 0.00 128 R 8.31 4.20 0.00 1.72 1.84 0.00 3.32 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 *129 L 8.16 4.15 0.00 1.45 1.47 0.92 0.82 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 * Residues marked with a * may have inaccurate shift predictions.