NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4065 8.2493 123.5954 52.3895 19.4392 176.6121 2 C 4.1255 8.5670 118.3360 59.0909 30.3554 172.3461 3 G 4.0914 7.8608 107.6333 43.6634 0.0000 174.2675 4 L 4.0737 8.4536 120.9493 55.8989 42.8780 175.7498 5 V 4.8250 8.4833 125.0292 60.9840 33.9492 174.1927 6 A 4.9756 9.2937 129.9112 50.1193 21.9096 174.9142 7 S 5.6607 8.1760 114.9413 55.2029 67.0365 172.7415 8 N 4.2653 8.8367 113.2391 54.2186 35.8032 177.1246 9 L 3.7796 8.2945 119.5946 56.2255 42.1654 177.0801 10 N 4.0516 7.2954 112.6744 54.0936 37.9535 174.1631 11 L 4.3954 8.1133 119.4439 54.6496 42.8333 175.9091 12 K 4.8803 9.0242 125.9638 53.9035 33.9552 174.3694 13 P 3.5765 0.0000 0.0000 64.2522 31.4784 177.1337 14 G 3.9730 8.3054 110.9550 45.5931 0.0000 174.3064 15 E 4.1772 7.5601 120.5539 55.6797 31.0287 174.3616 *17 L 4.4655 8.2613 122.0070 56.0158 43.2941 177.5370 18 R 4.7767 8.6602 125.1959 54.3369 33.0611 174.8661 19 V 4.5976 9.0033 124.3898 60.9466 34.5071 174.0142 20 R 5.1986 8.5555 127.6697 54.7709 33.0091 174.4208 21 G 3.5813 8.9026 111.2980 45.1407 0.0000 171.1957 22 E 4.9424 8.4160 120.4504 54.6580 31.6051 175.8022 23 V 4.4317 8.8642 125.5624 61.7987 33.1063 175.2824 24 A 4.2398 8.5068 129.7799 51.6781 18.8898 176.8442 25 P 4.2706 0.0000 0.0000 64.8588 31.6082 177.1090 26 D 4.8468 7.6741 116.2334 52.3308 39.9179 176.1986 27 A 4.1685 7.3427 122.2312 53.8723 18.9603 178.2499 28 K 4.6072 9.7811 121.5300 57.7931 34.9878 176.3784 29 S 5.3254 8.1030 111.2460 57.5327 65.8866 174.0024 30 F 5.5628 8.5347 119.1414 55.4066 42.0241 173.2501 31 V 4.7387 9.1874 119.1592 61.0942 34.9460 174.0110 32 L 5.2674 9.1778 127.5753 53.1430 44.4955 174.9292 33 N 5.5907 9.5969 122.0028 51.4973 41.3628 173.9099 34 L 5.0663 9.5389 123.3471 52.0275 45.7709 176.4638 35 G 4.2265 8.2650 110.9051 46.8674 0.0000 174.8452 36 K 4.0470 9.3521 122.8393 58.2322 33.0097 175.9535 37 D 3.5658 7.0549 115.5628 52.2215 41.3681 175.5030 38 S 4.0137 7.8507 112.7346 61.0055 63.0594 174.6754 39 N 4.4612 8.0562 117.4463 53.6826 39.1681 173.7773 40 N 5.3763 7.9156 115.6414 50.8716 40.7661 171.6959 41 L 5.2061 8.8298 123.2930 52.8039 43.7504 177.0504 42 C 4.3908 8.9777 119.4793 60.2710 30.9516 173.7035 43 L 4.4768 8.3346 122.7081 54.0717 45.3951 173.9461 44 H 5.4856 9.5391 127.8022 53.9565 31.7991 172.8027 45 F 4.6923 9.1492 130.2588 56.6158 41.2509 173.9102 46 N 4.8627 8.0600 125.0994 49.5104 39.7851 169.6608 47 P 4.3342 0.0000 0.0000 61.9549 32.9734 175.0172 48 R 4.4452 8.9457 124.8914 54.7342 31.4331 177.2023 49 F 3.7427 9.0106 123.6153 60.1860 39.9716 175.6986 50 N 5.4116 8.6433 119.6994 52.5084 40.2010 172.5714 51 A 4.5176 9.0216 125.2824 51.8797 22.6961 176.1515 52 H 4.1135 9.6608 116.0982 56.7937 26.3668 176.5712 53 G 3.9613 8.4260 107.3729 45.5686 0.0000 174.3394 54 D 4.5804 7.8256 119.7641 53.3604 41.9127 175.3128 55 A 4.7151 7.8633 123.7729 51.8975 22.2182 176.2949 56 N 3.1400 7.8868 120.9814 53.9062 36.8178 174.6401 57 T 4.5954 7.1469 113.7899 61.7137 73.5754 175.1049 58 I 4.1836 8.3896 126.5543 60.5071 38.8241 174.6274 59 V 4.6619 8.0953 127.6455 61.2607 33.5458 174.2595 60 C 5.6822 8.8734 124.8423 57.4959 32.0625 172.3803 61 N 5.3644 8.0891 118.7363 53.3087 42.5709 172.3863 62 S 5.4535 8.9635 114.7285 56.3534 67.1871 172.7241 63 K 4.8425 9.0048 120.4991 54.7629 35.5486 174.2119 64 D 4.7875 9.0944 127.1817 52.2073 43.9057 175.7635 65 G 3.6876 9.9225 117.7737 46.6354 0.0000 173.8245 66 G 3.6835 8.3155 106.9302 44.6670 0.0000 173.6702 67 A 4.4927 7.3577 123.6763 49.8742 20.2063 176.4533 68 W 4.7768 8.6135 123.7225 57.3932 29.7089 177.1293 69 G 4.1858 8.8939 112.9813 46.1961 0.0000 172.4890 70 T 4.4620 8.5644 119.0028 62.7838 69.0746 175.0291 71 E 4.3854 8.9619 126.7028 56.8358 30.4623 176.5257 72 Q 4.7925 9.3762 122.1824 54.2008 32.6053 174.5778 73 R 5.0023 8.5901 121.1132 54.6018 32.6950 175.5319 74 E 4.4601 8.5034 122.1313 55.1819 31.0924 176.0363 75 A 4.2955 8.4137 122.3498 52.7272 19.7925 177.7942 76 V 4.3433 7.2234 108.1849 59.5567 33.9721 175.8438 77 F 4.6211 8.2045 124.2847 56.0462 39.4023 172.0323 78 P 4.6940 0.0000 0.0000 62.4002 32.1591 176.2690 79 F 4.9957 7.4990 116.6850 56.7628 41.2414 175.0793 80 Q 5.0041 8.7305 123.1953 53.2978 31.1649 173.9865 81 P 4.1099 0.0000 0.0000 63.6586 31.8943 176.0998 82 G 3.8711 8.4221 108.7736 46.5686 0.0000 173.2430 83 S 4.7836 7.6816 112.1824 56.3107 67.3650 172.2973 84 V 4.7117 8.3639 119.7896 61.8314 32.6527 174.8549 85 A 4.9124 9.3126 128.8979 50.2552 22.5268 174.1567 86 E 5.2430 9.0192 122.5591 54.7248 32.1425 174.8742 87 V 4.6060 8.6684 125.2792 61.1910 35.9285 173.4240 *89 I 4.4381 8.1971 120.6286 61.4643 37.9805 175.5861 90 T 5.0862 8.7725 116.2772 59.2135 72.4689 172.6318 91 F 5.5041 8.3123 115.1948 56.1145 40.1650 173.2246 92 D 4.8008 8.8345 118.9657 51.6679 42.1358 175.8638 93 Q 4.2257 8.7976 115.4359 59.2625 29.0409 176.9813 94 A 4.4839 7.9300 118.1763 53.5541 20.4729 177.2123 95 N 5.5199 9.1454 111.3908 51.7209 43.7305 173.8115 96 L 4.8586 9.3698 121.9505 54.0340 44.0877 175.6791 97 T 4.7614 8.7680 120.4566 61.9045 70.8588 173.5470 98 V 4.1848 8.2062 127.7980 60.8922 33.2774 174.0978 99 K 4.7983 8.4045 129.6305 54.9590 33.6592 175.4687 100 L 4.8029 8.9028 127.1245 52.0525 44.9218 174.3707 101 P 4.3590 0.0000 0.0000 63.8123 31.4220 176.0489 102 D 4.3687 9.5128 117.0440 55.2938 38.1535 176.1967 103 G 4.0414 7.8110 107.6725 45.5625 0.0000 174.2240 104 Y 4.3052 7.4209 120.5034 57.8490 40.0326 174.5377 105 E 5.0133 7.0611 125.4339 54.4113 32.8346 174.0882 106 F 5.0927 8.7030 120.5140 55.1113 42.0888 173.3843 107 K 5.1592 8.9321 118.3601 54.6845 34.6686 175.4721 108 F 5.1602 9.2437 126.4458 55.4016 42.4340 172.4383 109 P 4.8278 0.0000 0.0000 62.4474 31.9579 175.7661 110 N 4.6816 9.0354 122.8234 53.4099 38.1742 174.8659 111 R 4.1707 8.7421 125.5445 57.1598 30.8776 176.9635 112 L 4.5046 7.4203 117.1012 53.6181 43.7453 175.9043 113 N 4.8869 8.2856 116.7619 52.8073 38.4059 174.9533 114 L 4.4854 7.5815 118.2782 53.4444 42.9569 177.1724 115 E 4.1401 8.9597 125.3340 58.7814 29.9648 176.3410 116 A 5.0945 7.5989 118.1535 50.8422 22.4379 174.7512 117 I 4.2971 8.6589 121.2270 60.3031 38.5020 176.2190 118 N 5.0953 9.0062 123.1812 53.1155 41.0196 173.5475 119 Y 5.3531 8.2014 120.3095 55.9659 42.5827 173.6068 120 M 5.2005 8.9959 125.2061 53.7654 36.2346 173.5474 121 A 5.0580 8.9234 126.3337 50.1822 22.8320 174.6870 122 A 5.3649 8.7545 123.0605 50.7154 22.3770 175.0089 123 D 4.5538 9.1810 117.8825 54.2713 45.1000 175.7003 124 G 4.1274 8.9382 108.3721 45.4254 0.0000 173.8114 125 D 4.8627 8.8017 115.4047 53.8680 40.2819 177.2290 126 F 4.9220 7.9026 119.7456 56.6526 42.7623 173.8624 127 K 4.2571 8.4364 128.8849 54.3602 33.5803 175.3722 128 I 3.8599 8.0826 129.2609 61.5787 37.1969 176.3073 129 K 4.2413 8.8699 125.6122 56.5811 33.3995 176.5113 *131 V 3.9828 7.6516 119.4832 62.5922 32.4130 174.3038 132 A 4.5712 8.5104 128.1552 50.0595 22.7955 174.4198 133 F 5.0408 8.6987 119.1817 55.6649 41.2700 175.4516 134 D 4.3730 8.6282 122.0173 54.4797 41.4399 174.7290 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 A 8.25 4.41 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 2 C 8.57 4.13 0.00 3.12 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 3 G 7.86 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 0.00 0.00 0.00 4 L 8.45 4.07 0.00 1.78 1.59 0.92 0.69 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 5 V 8.48 4.83 2.11 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 0.89 0.00 0.00 1.03 0.00 0.00 6 A 9.29 4.98 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 7 S 8.18 5.66 0.00 3.94 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 8 N 8.84 4.27 0.00 2.96 2.91 0.00 0.00 6.81 6.74 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 9 L 8.29 3.78 0.00 1.89 1.80 1.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.30 4.05 0.00 2.80 2.75 0.00 0.00 7.18 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 11 L 8.11 4.40 0.00 1.91 1.78 1.15 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 K 9.02 4.88 0.00 2.00 1.68 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.60 7.81 13 P 0.00 3.58 0.00 1.80 1.57 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.59 0.00 14 G 8.31 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 0.00 0.00 0.00 15 E 7.56 4.18 0.00 2.36 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 *17 L 8.26 4.47 0.00 1.74 1.78 0.75 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.66 4.78 0.00 1.68 1.89 0.00 3.09 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 19 V 9.00 4.60 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 1.16 0.00 0.00 0.91 0.00 0.00 20 R 8.56 5.20 0.00 1.89 1.69 0.00 3.22 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 21 G 8.90 3.58 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 0.00 0.00 0.00 22 E 8.42 4.94 0.00 1.74 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 23 V 8.86 4.43 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 0.85 0.00 0.00 1.14 0.00 0.00 24 A 8.51 4.24 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 25 P 0.00 4.27 0.00 2.02 2.10 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 26 D 7.67 4.85 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.34 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.78 4.61 0.00 1.71 2.04 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.36 7.81 29 S 8.10 5.33 0.00 3.90 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 30 F 8.53 5.56 0.00 3.31 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 31 V 9.19 4.74 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 1.05 0.00 0.00 0.93 0.00 0.00 32 L 9.18 5.27 0.00 1.76 1.61 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.60 5.59 0.00 2.80 2.91 0.00 0.00 6.33 6.87 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 34 L 9.54 5.07 0.00 1.52 1.49 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.27 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 0.00 0.00 0.00 0.00 36 K 9.35 4.05 0.00 1.64 1.76 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.35 7.81 37 D 7.05 3.57 0.00 2.52 2.49 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 38 S 7.85 4.01 0.00 3.96 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 39 N 8.06 4.46 0.00 2.80 2.75 0.00 0.00 6.59 6.92 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 40 N 7.92 5.38 0.00 2.61 2.64 0.00 0.00 6.66 6.85 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 41 L 8.83 5.21 0.00 1.59 1.66 1.03 0.97 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 42 C 8.98 4.39 0.00 3.02 3.06 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 0.00 0.00 0.00 0.00 43 L 8.33 4.48 0.00 1.81 1.53 0.70 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.54 5.49 0.00 3.57 3.56 0.00 5.84 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.15 4.69 0.00 3.02 2.95 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 46 N 8.06 4.86 0.00 2.35 2.41 0.00 0.00 7.07 7.32 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 47 P 0.00 4.33 0.00 1.05 1.16 0.00 2.21 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.68 0.00 48 R 8.95 4.45 0.00 1.63 1.75 0.00 2.98 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 49 F 9.01 3.74 0.00 3.15 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 50 N 8.64 5.41 0.00 2.67 2.71 0.00 0.00 7.07 7.67 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 51 A 9.02 4.52 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 52 H 9.66 4.11 0.00 3.20 3.33 0.00 5.94 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 53 G 8.43 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 0.00 0.00 0.00 54 D 7.83 4.58 0.00 2.79 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 4.72 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 56 N 7.89 3.14 0.00 2.45 2.15 0.00 0.00 6.82 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 57 T 7.15 4.60 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 1.10 0.00 0.00 58 I 8.39 4.18 1.73 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.09 0.62 0.00 0.00 59 V 8.10 4.66 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 0.79 0.00 0.00 0.77 0.00 0.00 60 C 8.87 5.68 0.00 2.63 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 0.00 0.00 0.00 61 N 8.09 5.36 0.00 2.69 2.74 0.00 0.00 6.57 7.63 0.00 0.00 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 S 8.96 5.45 0.00 4.18 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 63 K 9.00 4.84 0.00 1.17 1.35 0.00 1.06 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.52 7.81 64 D 9.09 4.79 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.92 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.32 3.68 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 0.00 0.00 0.00 67 A 7.36 4.49 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 68 W 8.61 4.78 0.00 3.19 3.06 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 0.00 0.00 0.00 0.00 69 G 8.89 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 70 T 8.56 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 1.24 0.00 0.00 71 E 8.96 4.39 0.00 1.82 1.85 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 2.19 2.22 0.00 72 Q 9.38 4.79 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 73 R 8.59 5.00 0.00 1.61 1.73 0.00 3.13 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 74 E 8.50 4.46 0.00 1.59 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 1.78 1.47 0.00 75 A 8.41 4.30 1.18 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 76 V 7.22 4.34 1.79 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 -0.06 0.00 0.00 0.38 0.00 0.00 77 F 8.20 4.62 0.00 2.94 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 78 P 0.00 4.69 0.00 1.91 1.96 0.00 3.17 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.80 0.00 79 F 7.50 5.00 0.00 2.29 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 80 Q 8.73 5.00 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 81 P 0.00 4.11 0.00 1.96 1.68 0.00 3.90 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.77 0.00 82 G 8.42 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 0.00 0.00 0.00 83 S 7.68 4.78 0.00 3.90 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 4.71 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 0.79 0.00 0.00 0.92 0.00 0.00 85 A 9.31 4.91 1.60 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 0.00 0.00 86 E 9.02 5.24 0.00 2.01 1.86 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 2.22 2.38 0.00 87 V 8.67 4.61 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 0.61 0.00 0.00 1.18 0.00 0.00 *89 I 8.20 4.44 1.82 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.48 0.87 0.00 0.00 90 T 8.77 5.09 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 1.20 0.00 0.00 91 F 8.31 5.50 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 92 D 8.83 4.80 0.00 2.79 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 93 Q 8.80 4.23 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 94 A 7.93 4.48 1.30 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 0.00 0.00 0.00 95 N 9.15 5.52 0.00 2.59 2.69 0.00 0.00 6.99 6.40 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 96 L 9.37 4.86 0.00 1.75 1.62 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.77 4.76 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 1.13 0.00 0.00 98 V 8.21 4.18 0.67 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 0.45 0.00 0.00 0.47 0.00 0.00 99 K 8.40 4.80 0.00 1.70 1.61 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.39 7.81 100 L 8.90 4.80 0.00 1.79 1.48 1.37 1.23 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 0.00 101 P 0.00 4.36 0.00 1.87 1.95 0.00 3.37 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.28 0.00 102 D 9.51 4.37 0.00 2.84 2.75 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 0.00 103 G 7.81 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 0.00 104 Y 7.42 4.31 0.00 3.16 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 E 7.06 5.01 0.00 1.76 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 106 F 8.70 5.09 0.00 3.17 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 0.00 107 K 8.93 5.16 0.00 1.72 1.80 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.40 7.81 108 F 9.24 5.16 0.00 3.36 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.83 0.00 1.93 1.89 0.00 2.20 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.45 0.00 110 N 9.04 4.68 0.00 2.83 3.06 0.00 0.00 7.20 7.65 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 0.00 111 R 8.74 4.17 0.00 1.90 1.99 0.00 3.35 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 112 L 7.42 4.50 0.00 1.66 1.63 0.96 0.92 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 0.00 113 N 8.29 4.89 0.00 2.65 2.76 0.00 0.00 6.91 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.58 4.49 0.00 1.67 1.74 0.86 0.97 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 0.00 115 E 8.96 4.14 0.00 1.97 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 2.34 2.35 0.00 116 A 7.60 5.09 1.33 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 0.00 0.00 0.00 117 I 8.66 4.30 1.77 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.27 0.88 0.00 0.00 118 N 9.01 5.10 0.00 2.73 2.86 0.00 0.00 6.48 7.48 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 0.00 119 Y 8.20 5.35 0.00 3.15 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 0.00 120 M 9.00 5.20 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 121 A 8.92 5.06 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 0.00 122 A 8.75 5.36 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 0.00 123 D 9.18 4.55 0.00 2.90 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 0.00 124 G 8.94 4.13 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 0.00 0.00 0.00 125 D 8.80 4.86 0.00 2.80 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 0.00 126 F 7.90 4.92 0.00 2.36 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.26 0.00 1.69 1.45 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 1.30 7.81 128 I 8.08 3.86 1.78 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 1.25 0.60 0.85 0.00 0.00 129 K 8.87 4.24 0.00 1.46 1.74 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.38 7.81 *131 V 7.65 3.98 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 0.34 0.00 0.00 0.87 0.00 0.00 132 A 8.51 4.57 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 0.00 133 F 8.70 5.04 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.63 4.37 0.00 2.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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.