NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3731 0.0000 0.0000 62.7128 32.6845 174.5308 2 Q 4.4141 8.4659 118.7264 53.7432 30.8219 172.8562 3 I 4.4414 8.1710 126.0389 59.6667 40.3085 175.2272 4 T 4.4110 8.3832 115.6628 60.9206 70.2928 174.2175 5 L 4.8074 7.7784 117.8353 54.2380 42.4507 177.9802 6 W 4.2403 8.2588 123.6816 59.4132 29.1035 176.7051 7 K 4.7860 7.7024 117.0179 51.7756 34.8791 178.7999 8 R 4.0424 8.4443 116.9015 57.3635 30.8566 176.5935 9 P 4.6703 0.0000 0.0000 62.1431 29.4150 174.5771 10 L 4.9815 7.5999 122.1207 54.6639 43.4367 177.5038 11 V 4.6155 8.9464 116.1674 59.7547 36.6680 174.5414 12 T 4.9208 8.3826 118.8711 62.9627 69.8696 174.1572 13 I 4.9229 9.0259 119.6640 59.0107 41.4437 174.2088 14 R 5.0372 8.9061 123.8842 54.6352 32.7522 174.2757 15 I 4.6589 8.7439 126.5055 59.8928 41.8009 175.0878 16 G 4.0633 9.8282 117.4762 46.6197 0.0000 174.2356 17 G 3.8856 8.3498 104.9862 45.4062 0.0000 174.0847 18 Q 4.5219 8.1432 119.8765 54.1912 30.3081 174.4418 19 L 5.0625 8.2424 121.9953 53.8032 43.2321 176.0859 20 K 4.7218 8.9583 121.3134 54.9568 37.2186 174.7862 21 E 5.0810 8.7208 121.2179 55.2380 30.9838 175.5240 22 A 4.8868 9.1468 125.1899 50.0654 23.5336 174.3626 23 L 4.7922 8.8444 122.5909 53.7289 43.6654 175.7794 24 L 4.3979 8.8534 127.7780 54.9405 42.3021 176.6259 25 N 4.9406 9.0998 124.5387 51.5899 40.3398 174.9787 26 T 4.0542 8.7137 116.1987 63.3074 69.2153 175.5812 27 G 3.8344 7.9888 109.7852 45.5731 0.0000 172.8621 28 A 4.7164 7.7143 122.3630 50.1541 21.0058 177.6238 29 D 4.3877 8.8934 122.0612 56.4823 42.3521 175.8949 30 D 5.1092 8.0246 116.1579 52.6828 45.4995 174.9329 31 T 4.6846 7.9258 116.7811 62.1767 70.7030 174.3103 32 V 4.8020 8.6753 125.9945 61.1971 34.5752 174.1875 33 L 5.1552 8.8679 128.0870 52.6628 44.4856 176.2060 34 E 4.5341 9.4119 121.4683 55.4011 30.2293 176.6930 35 E 3.7737 8.6280 121.5752 57.3550 29.8457 176.0714 36 M 4.4660 8.0613 121.1593 54.5361 33.8460 173.2583 37 N 4.7330 8.4253 117.0788 51.9319 39.7901 174.9683 38 L 4.6192 7.9046 122.3782 52.0004 45.1363 174.8034 39 P 4.5541 0.0000 0.0000 62.4952 32.9955 176.0600 40 G 3.9814 8.7823 108.9454 45.3179 0.0000 173.7153 41 K 4.2533 8.2529 120.3177 54.0855 32.3515 173.4343 42 W 5.2434 7.3904 115.9230 56.5363 31.4428 174.7802 43 K 4.6128 8.7113 124.0738 52.5452 34.2080 175.0559 44 P 5.0474 0.0000 0.0000 63.0319 32.1345 176.4784 45 K 4.8009 8.9814 124.9656 54.1961 36.6788 173.9833 46 M 5.3813 8.6536 120.2968 53.8835 34.6861 175.1638 47 I 4.7448 8.8020 115.6738 59.0945 41.7109 174.2155 48 G 4.4450 8.6345 108.6699 45.1001 0.0000 172.8946 49 G 4.0709 9.1203 109.0302 44.5773 0.0000 173.2882 50 I 3.6579 8.6984 118.7824 63.3752 38.0982 177.9631 51 G 4.0837 7.8896 107.0682 45.4669 0.0000 172.4674 52 G 3.9160 7.9240 107.4475 44.3429 0.0000 173.6323 *53 F 5.4629 8.5022 121.9978 55.6743 40.8054 172.2263 54 I 4.7535 9.3234 117.9520 59.1097 41.3569 174.9586 55 K 4.9169 8.5364 126.3331 54.8326 32.8688 177.2913 56 V 4.6685 9.0188 117.1102 59.2016 37.0761 174.1493 57 R 4.7841 9.0145 120.6408 54.5448 32.6524 175.1725 58 Q 4.7244 9.0096 125.8901 55.0583 30.7511 173.5755 59 Y 5.0486 9.1777 124.9930 56.5013 40.3269 174.8005 60 D 5.0420 8.9044 123.4054 52.9989 43.1495 176.0618 61 Q 3.4390 8.3285 117.4970 57.2790 26.3912 174.0244 62 I 4.4782 8.0111 118.5941 59.1838 39.6447 175.1233 63 P 5.0727 0.0000 0.0000 62.5170 32.2035 175.9211 64 I 4.8404 9.1424 124.5630 59.7002 41.8624 173.8235 65 E 5.0257 9.0363 125.9140 54.8539 31.8281 174.9353 66 I 4.5654 8.9589 125.7179 59.7811 39.9902 175.7618 67 C 4.2095 9.5064 126.5720 60.6704 26.2732 174.8338 68 G 4.0237 8.4784 107.3441 45.7003 0.0000 173.8885 69 H 4.5774 8.5005 118.2255 54.7987 29.7316 174.1906 70 K 4.7197 8.5215 123.4088 55.5406 33.1542 175.9465 71 A 4.9727 9.4632 125.8780 50.2716 23.2230 175.0953 72 I 4.8781 8.7619 119.7074 60.6672 40.5892 174.9342 73 G 4.0738 8.5020 115.9292 46.6548 0.0000 171.1399 74 T 4.9829 8.7439 118.4096 63.0766 69.7887 174.7563 75 V 4.4715 9.1273 125.8564 61.1386 34.8387 174.0208 76 L 5.2516 8.9642 127.8485 53.1869 44.4965 175.5647 77 V 4.7170 8.6220 122.4506 61.3544 34.1181 175.2738 78 G 3.8013 8.0018 114.8427 45.5259 0.0000 170.7080 79 P 4.5485 0.0000 0.0000 62.4674 30.1606 176.4994 80 T 4.1129 7.4106 113.4278 61.8649 68.5222 173.1726 81 P 4.4271 0.0000 0.0000 65.1934 31.6642 176.8590 82 V 4.6498 6.9298 111.8467 59.6678 34.5799 173.9318 83 N 4.6440 8.7792 118.8635 53.7332 39.8272 173.9696 84 I 4.9021 9.0029 124.1945 59.5817 40.9285 174.5026 85 I 4.4289 8.9688 129.3921 60.3575 38.5132 176.0850 86 G 4.5613 8.5623 115.4699 43.7223 0.0000 174.2420 87 R 4.0978 8.7774 118.3068 58.9098 29.9560 179.3667 88 N 4.3760 8.0705 115.6555 55.2145 37.6621 176.7081 89 L 4.3990 7.7524 117.5835 55.9510 42.4782 178.5511 90 L 4.0197 8.0379 119.5709 58.0032 41.6425 179.6230 91 T 3.8793 7.9906 109.7433 64.8953 68.4893 176.6341 92 Q 4.0582 7.2952 117.1090 58.3570 28.8512 177.9774 93 I 4.2606 7.5402 110.9309 60.6901 37.9658 176.1944 94 G 3.8143 7.7837 108.0621 46.4668 0.0000 173.0766 95 C 4.3373 8.1454 120.3720 58.5055 32.1038 172.8232 96 T 4.7505 8.1682 115.5668 59.7258 71.6546 172.6991 97 L 4.6712 8.2614 121.5488 53.4701 43.1506 176.2566 98 N 5.1420 8.5035 119.2998 51.6850 42.5018 174.4601 99 F 4.5001 8.4380 116.3572 57.4241 37.5386 173.8968 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 P 0.00 4.37 0.00 2.20 2.17 0.00 3.63 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 1.87 1.96 0.00 2 Q 8.47 4.41 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 3 I 8.17 4.44 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 1.48 0.80 0.92 0.00 0.00 4 T 8.38 4.41 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 1.33 0.00 0.00 5 L 7.78 4.81 0.00 1.33 1.49 0.81 0.84 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 6 W 8.26 4.24 0.00 3.32 3.30 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 7 K 7.70 4.79 0.00 1.73 1.54 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 0.98 7.81 8 R 8.44 4.04 0.00 1.80 1.91 0.00 3.17 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 9 P 0.00 4.67 0.00 2.10 2.20 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 10 L 7.60 4.98 0.00 1.55 1.64 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.95 4.62 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 12 T 8.38 4.92 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 13 I 9.03 4.92 1.93 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 1.21 0.74 0.91 0.00 0.00 14 R 8.91 5.04 0.00 1.84 1.78 0.00 3.04 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 15 I 8.74 4.66 1.84 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 1.10 1.28 0.87 0.00 0.00 16 G 9.83 4.06 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 0.00 0.00 0.00 17 G 8.35 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 18 Q 8.14 4.52 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 19 L 8.24 5.06 0.00 1.52 1.58 0.92 0.88 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 20 K 8.96 4.72 0.00 1.63 1.61 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.39 7.81 21 E 8.72 5.08 0.00 1.84 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 2.24 2.24 0.00 22 A 9.15 4.89 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.84 4.79 0.00 1.72 1.63 0.91 0.68 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 24 L 8.85 4.40 0.00 1.54 1.62 0.91 0.81 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 25 N 9.10 4.94 0.00 2.74 2.77 0.00 0.00 6.59 6.76 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 26 T 8.71 4.05 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 27 G 7.99 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 0.00 0.00 0.00 28 A 7.71 4.72 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 29 D 8.89 4.39 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 30 D 8.02 5.11 0.00 2.56 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 31 T 7.93 4.68 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 1.24 0.00 0.00 32 V 8.68 4.80 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 0.95 0.00 0.00 0.93 0.00 0.00 33 L 8.87 5.16 0.00 1.54 1.58 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.41 4.53 0.00 1.77 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 2.33 2.17 0.00 35 E 8.63 3.77 0.00 2.00 1.83 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 2.34 2.33 0.00 36 M 8.06 4.47 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 37 N 8.43 4.73 0.00 2.67 2.77 0.00 0.00 6.69 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 38 L 7.90 4.62 0.00 0.27 0.89 0.44 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.55 0.00 2.21 2.13 0.00 3.53 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 40 G 8.78 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 0.00 0.00 0.00 41 K 8.25 4.25 0.00 1.79 1.62 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 0.99 7.81 42 W 7.39 5.24 0.00 2.74 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 43 K 8.71 4.61 0.00 1.44 1.68 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.25 7.81 44 P 0.00 5.05 0.00 2.01 2.19 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 45 K 8.98 4.80 0.00 1.41 1.59 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 1.29 7.81 46 M 8.65 5.38 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 47 I 8.80 4.74 1.88 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 1.16 0.96 0.92 0.00 0.00 48 G 8.63 4.45 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 0.00 0.00 0.00 49 G 9.12 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 0.00 0.00 0.00 50 I 8.70 3.66 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 1.34 0.85 0.90 0.00 0.00 51 G 7.89 4.08 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 0.00 0.00 0.00 52 G 7.92 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 *53 F 8.50 5.46 0.00 2.05 2.05 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 54 I 9.32 4.75 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 1.09 0.76 0.91 0.00 0.00 55 K 8.54 4.92 0.00 1.56 1.63 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.03 7.81 56 V 9.02 4.67 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 0.64 0.00 0.00 0.94 0.00 0.00 57 R 9.01 4.78 0.00 1.38 0.90 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.10 0.00 58 Q 9.01 4.72 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 59 Y 9.18 5.05 0.00 3.10 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 60 D 8.90 5.04 0.00 2.60 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 61 Q 8.33 3.44 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 62 I 8.01 4.48 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.34 0.89 0.00 0.00 63 P 0.00 5.07 0.00 1.94 1.99 0.00 3.62 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 2.03 2.12 0.00 64 I 9.14 4.84 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 1.21 0.87 0.91 0.00 0.00 65 E 9.04 5.03 0.00 1.92 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 2.25 2.27 0.00 66 I 8.96 4.57 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.91 0.00 0.00 67 C 9.51 4.21 0.00 3.03 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 68 G 8.48 4.02 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 0.00 0.00 0.00 69 H 8.50 4.58 0.00 3.36 3.25 0.00 5.80 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 70 K 8.52 4.72 0.00 1.64 1.74 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.43 7.81 71 A 9.46 4.97 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 72 I 8.76 4.88 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.90 0.00 0.00 73 G 8.50 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 0.00 0.00 0.00 74 T 8.74 4.98 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 1.33 0.00 0.00 75 V 9.13 4.47 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 1.06 0.00 0.00 0.95 0.00 0.00 76 L 8.96 5.25 0.00 1.64 1.57 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.62 4.72 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 0.85 0.00 0.00 0.85 0.00 0.00 78 G 8.00 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 79 P 0.00 4.55 0.00 2.18 2.10 0.00 3.80 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 80 T 7.41 4.11 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 1.25 0.00 0.00 81 P 0.00 4.43 0.00 2.07 2.09 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 82 V 6.93 4.65 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 0.65 0.00 0.00 0.92 0.00 0.00 83 N 8.78 4.64 0.00 2.84 2.78 0.00 0.00 6.65 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 9.00 4.90 1.98 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 1.22 1.17 0.95 0.00 0.00 85 I 8.97 4.43 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 1.16 0.89 0.91 0.00 0.00 86 G 8.56 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.78 4.10 0.00 1.89 2.00 0.00 3.14 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 88 N 8.07 4.38 0.00 2.87 3.09 0.00 0.00 6.77 6.43 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 89 L 7.75 4.40 0.00 1.71 1.74 0.93 0.68 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 90 L 8.04 4.02 0.00 1.69 1.72 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.99 3.88 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 1.30 0.00 0.00 92 Q 7.30 4.06 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 93 I 7.54 4.26 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.52 0.94 0.00 0.00 94 G 7.78 3.81 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 0.00 0.00 0.00 95 C 8.15 4.34 0.00 2.92 2.96 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 96 T 8.17 4.75 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 L 8.26 4.67 0.00 1.71 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.50 5.14 0.00 2.68 2.68 0.00 0.00 6.81 7.45 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 99 F 8.44 4.50 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.