NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3919 8.2649 123.6196 51.7184 19.2867 176.5871 2 D 4.3191 8.3236 119.6124 54.8437 41.5885 174.6371 3 D 4.2051 8.8200 120.8796 55.5126 39.3585 175.1046 4 A 4.5851 6.9704 120.1145 50.6946 17.6344 176.8876 5 K 4.2954 8.6946 123.9367 52.9515 33.1341 174.3633 6 P 4.4321 0.0000 0.0000 62.3895 32.7426 177.0301 7 R 4.5787 8.9806 121.8338 55.7026 33.3617 174.8462 8 V 4.8008 8.4339 117.2497 58.3620 35.1819 175.4705 9 K 4.5716 9.0290 122.7160 54.7245 35.1541 175.5337 10 V 4.6594 8.1938 123.7000 60.4869 34.7126 172.6512 11 P 4.4609 0.0000 0.0000 62.6776 31.9946 176.9776 12 S 4.5800 8.6758 116.2389 60.7042 64.1493 173.6598 13 S 5.3099 7.9392 113.0317 57.0849 66.2435 173.0841 14 A 4.8915 9.0088 123.7456 51.0195 22.9669 176.9221 15 K 4.1275 9.5341 122.0964 53.8582 32.4229 177.2017 16 A 4.1943 8.4413 124.7573 55.6293 18.0241 177.9275 17 G 4.0228 9.7043 112.4377 45.3497 0.0000 172.7610 18 E 4.2213 8.5214 121.9383 56.3362 31.0200 175.5836 19 T 4.9383 8.4146 122.1858 62.9732 69.7910 174.5253 20 V 4.5664 8.6537 119.0645 59.7116 35.3638 175.0252 21 T 4.6289 8.5131 121.1197 63.2449 69.5244 174.1011 22 V 4.3195 8.6035 126.1509 60.8249 34.3746 174.3098 23 K 4.8100 8.7216 126.1687 54.4169 35.6814 175.0448 24 A 5.0030 8.6842 125.9068 50.1835 22.2992 174.5497 25 L 5.2888 9.2833 124.7152 53.4233 46.0065 175.0871 26 I 4.8093 8.1416 123.2731 59.0522 42.2449 173.8405 27 S 4.8340 8.1255 122.8213 58.2587 64.4334 172.5562 28 H 4.6238 9.1734 121.7100 55.1100 33.0676 174.9697 29 K 3.8919 8.8087 124.8013 58.0147 32.5277 176.8996 30 M 3.2630 8.3759 116.7991 55.6111 29.5920 177.1756 31 E 3.9761 8.0672 118.6348 56.7777 30.4575 177.3757 32 S 4.1364 8.7374 121.2831 59.4063 63.6502 175.3403 33 G 4.2266 8.5472 107.6106 45.0800 0.0000 173.3445 34 Q 4.4416 7.8776 119.5508 56.4817 30.3134 177.0563 35 R 4.2361 7.9618 118.3801 56.3770 30.2485 182.9870 36 K 4.3523 8.1405 122.3748 52.5333 31.3144 174.3463 *43 I 3.9825 7.5822 123.1369 59.8340 38.3520 173.7912 44 P 4.6107 0.0000 0.0000 62.1465 32.0377 176.4234 45 R 4.2199 8.4925 123.2900 57.3120 30.7583 176.5414 46 S 4.7281 9.1570 121.8983 57.7200 64.2732 172.8124 47 I 4.8361 9.2780 120.6714 58.3730 41.5296 174.9486 48 I 4.4385 8.2684 123.9810 61.6059 37.2662 175.8237 49 N 5.0793 9.2132 122.6511 52.3127 39.0271 174.4460 50 R 5.1818 7.8344 119.0643 55.4471 33.9982 173.0103 51 F 5.3712 9.1457 127.3911 56.6148 42.8294 173.4686 52 T 4.4405 8.1274 115.3464 59.6691 72.5018 172.1997 53 C 4.6930 8.1330 122.6744 57.5420 34.3833 172.5145 54 E 5.0581 8.9169 124.9866 54.3106 33.3964 174.5680 55 L 4.5809 8.5115 124.3877 53.4421 44.7952 176.3526 56 N 4.1949 9.4749 125.8649 54.4402 36.6529 175.3652 57 G 3.8471 8.1656 102.2287 44.6807 0.0000 173.4181 58 V 4.2562 7.2915 119.9241 60.2052 33.4277 174.5511 59 N 4.4593 8.5793 125.8043 53.9590 39.3192 173.9289 60 V 4.0561 8.3890 126.7359 64.5795 31.9748 175.9946 61 V 4.3868 6.9836 112.0505 59.4850 36.4480 173.6731 62 D 4.6983 8.3182 121.6204 52.7926 43.8921 174.4586 63 V 4.2722 8.8014 127.0556 60.8876 33.7479 174.2109 64 A 4.7201 8.5714 130.1931 51.3751 19.5673 176.1790 65 I 4.5942 8.8362 123.9282 59.6758 40.3364 175.3686 66 D 4.9511 8.5748 125.7249 51.7830 43.2286 175.3843 67 P 4.4326 0.0000 0.0000 64.5048 31.2100 177.4205 68 A 4.2769 7.8421 120.1074 52.7516 18.9153 177.9113 69 V 3.8465 7.5967 116.4006 62.2785 32.1875 176.1706 70 S 4.3694 8.3480 121.7131 58.2113 63.4402 174.2151 71 T 3.8937 8.4065 118.4729 65.7161 69.0235 173.8953 72 N 4.8268 9.1302 120.6262 52.1468 36.4336 172.3998 73 P 4.2627 0.0000 0.0000 63.3529 32.9822 176.1237 74 Y 4.9832 7.8668 122.6760 55.7804 41.6104 174.3474 75 F 4.8508 8.3667 124.3961 55.5533 43.1817 173.4270 76 E 4.9067 8.5657 123.1121 54.5147 32.8370 174.2060 77 F 4.8252 7.6877 119.6420 56.7550 42.0227 171.8701 78 D 5.4575 9.1124 117.8006 52.5213 43.6477 175.5371 79 A 4.9565 9.0533 124.8468 50.0347 22.3282 174.9775 80 K 4.7023 8.6604 122.1824 55.2747 33.4536 176.0886 81 V 4.0734 8.6364 128.6482 61.8716 31.7547 175.7292 82 D 4.1947 8.7231 128.3920 55.7908 41.6438 176.9138 83 A 4.6094 7.4287 118.4854 49.9204 22.2241 175.3878 84 A 4.3867 8.5508 122.6541 51.8239 20.0622 179.5602 85 G 4.1638 6.9560 108.1089 45.5948 0.0000 172.5964 86 E 5.1311 8.9178 122.2423 54.6568 33.4017 174.5635 87 F 4.7891 9.4477 121.1769 56.9068 40.8525 174.4821 88 K 4.9828 8.9141 124.1815 54.6883 34.9464 174.4777 89 F 5.0001 9.5680 126.5559 56.0182 41.7633 174.8926 90 T 5.1580 8.2696 119.2536 61.5657 72.6415 172.8717 91 W 5.4844 9.6572 125.5291 55.1643 32.9416 173.8971 92 Y 4.9817 9.2615 121.7867 56.3060 40.1722 174.2726 93 D 5.1992 8.9471 124.5971 52.9268 42.6316 176.8754 94 D 4.4430 9.2670 126.0888 57.7461 41.0087 177.6663 95 D 4.5916 8.8219 116.1311 53.5557 39.5950 177.0630 96 G 4.0421 8.1774 109.2919 45.4575 0.0000 174.5510 97 S 4.2949 8.4585 116.1360 58.5197 64.2121 173.5006 98 V 4.3711 7.6754 120.7886 61.2742 34.3709 174.0246 99 Y 5.0557 8.7607 125.0653 56.3582 40.8122 174.5749 100 E 5.5977 9.0977 122.3245 54.8539 33.9333 174.6670 101 D 4.9596 9.5276 121.4505 52.8695 45.0736 173.9790 102 V 5.1503 8.7393 125.1351 61.1009 34.2987 174.4915 103 K 4.8652 9.3953 128.4979 54.1364 35.3550 173.7399 104 P 5.0555 0.0000 0.0000 62.7884 32.8579 175.3589 105 I 4.9146 8.8207 120.9640 59.4238 41.3043 174.1166 106 A 4.8152 9.2206 131.3032 50.8841 21.0930 177.7753 107 V 4.5915 8.0974 111.3911 60.9205 31.8768 176.3954 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 8.26 4.39 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.32 4.32 0.00 2.81 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 3 D 8.82 4.21 0.00 2.71 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 4 A 6.97 4.59 0.26 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 5 K 8.69 4.30 0.00 1.45 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.25 7.81 6 P 0.00 4.43 0.00 2.19 1.46 0.00 3.56 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 7 R 8.98 4.58 0.00 1.44 1.78 0.00 3.20 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 8 V 8.43 4.80 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 0.19 0.00 0.00 0.74 0.00 0.00 9 K 9.03 4.57 0.00 1.53 1.64 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.48 7.81 10 V 8.19 4.66 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 0.48 0.00 0.00 0.74 0.00 0.00 11 P 0.00 4.46 0.00 2.23 2.00 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 12 S 8.68 4.58 0.00 3.94 4.16 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 13 S 7.94 5.31 0.00 3.90 3.84 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 0.00 0.00 0.00 0.00 14 A 9.01 4.89 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 0.00 0.00 15 K 9.53 4.13 0.00 1.66 1.70 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.26 7.81 16 A 8.44 4.19 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 17 G 9.70 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 18 E 8.52 4.22 0.00 2.11 1.94 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 2.34 2.31 0.00 19 T 8.41 4.94 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 1.25 0.00 0.00 20 V 8.65 4.57 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 0.80 0.00 0.00 1.09 0.00 0.00 21 T 8.51 4.63 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 22 V 8.60 4.32 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 0.86 0.00 0.00 0.61 0.00 0.00 23 K 8.72 4.81 0.00 1.66 1.68 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.27 7.81 24 A 8.68 5.00 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 25 L 9.28 5.29 0.00 1.85 1.66 1.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.14 4.81 0.56 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.64 0.49 0.00 0.00 27 S 8.13 4.83 0.00 3.80 3.86 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 28 H 9.17 4.62 0.00 3.05 3.08 0.00 5.59 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 29 K 8.81 3.89 0.00 1.73 1.84 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.37 7.81 30 M 8.38 3.26 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.70 0.00 31 E 8.07 3.98 0.00 2.06 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 0.00 2.46 2.44 0.00 32 S 8.74 4.14 0.00 4.04 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 33 G 8.55 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 34 Q 7.88 4.44 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 35 R 7.96 4.24 0.00 1.83 1.71 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 36 K 8.14 4.35 0.00 1.74 1.63 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 0.99 7.81 *43 I 7.58 3.98 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 1.42 0.88 0.97 0.00 0.00 44 P 0.00 4.61 0.00 1.95 2.00 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 45 R 8.49 4.22 0.00 1.98 1.87 0.00 3.29 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 46 S 9.16 4.73 0.00 3.90 3.78 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 0.00 0.00 0.00 47 I 9.28 4.84 1.95 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 1.43 0.99 0.98 0.00 0.00 48 I 8.27 4.44 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.32 1.41 0.00 0.00 49 N 9.21 5.08 0.00 2.86 3.25 0.00 0.00 6.26 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 50 R 7.83 5.18 0.00 1.87 1.87 0.00 2.84 0.00 0.00 2.62 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 F 9.15 5.37 0.00 3.11 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 4.44 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 1.14 0.00 0.00 53 C 8.13 4.69 0.00 2.71 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 0.00 0.00 0.00 0.00 54 E 8.92 5.06 0.00 1.76 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 0.00 2.06 2.03 0.00 55 L 8.51 4.58 0.00 1.29 1.29 -0.12 0.70 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 56 N 9.47 4.19 0.00 2.74 2.74 0.00 0.00 7.10 7.25 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 57 G 8.17 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 58 V 7.29 4.26 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 0.99 0.00 0.00 0.93 0.00 0.00 59 N 8.58 4.46 0.00 2.62 2.62 0.00 0.00 7.02 7.71 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 60 V 8.39 4.06 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 0.99 0.00 0.00 1.04 0.00 0.00 61 V 6.98 4.39 1.69 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 0.30 0.00 0.00 -0.26 0.00 0.00 62 D 8.32 4.70 0.00 2.44 2.36 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 0.00 63 V 8.80 4.27 1.69 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 0.69 0.00 0.00 0.61 0.00 0.00 64 A 8.57 4.72 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 65 I 8.84 4.59 2.13 0.00 0.00 1.20 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 1.50 1.16 0.00 0.00 66 D 8.57 4.95 0.00 2.73 2.61 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 0.00 0.00 0.00 0.00 67 P 0.00 4.43 0.00 2.07 2.23 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 2.06 2.13 0.00 68 A 7.84 4.28 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 69 V 7.60 3.85 2.20 0.00 0.00 0.00 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 1.09 0.00 0.00 70 S 8.35 4.37 0.00 3.87 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 71 T 8.41 3.89 4.22 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 1.27 0.00 0.00 72 N 9.13 4.83 0.00 2.76 2.76 0.00 0.00 6.96 7.60 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 73 P 0.00 4.26 0.00 2.15 2.21 0.00 3.76 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 2.17 2.08 0.00 74 Y 7.87 4.98 0.00 2.76 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 75 F 8.37 4.85 0.00 2.75 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 76 E 8.57 4.91 0.00 1.74 1.81 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 2.16 2.31 0.00 77 F 7.69 4.83 0.00 3.24 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 78 D 9.11 5.46 0.00 2.62 2.63 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 0.00 0.00 0.00 0.00 79 A 9.05 4.96 1.55 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 0.00 0.00 80 K 8.66 4.70 0.00 1.81 1.75 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.44 7.81 81 V 8.64 4.07 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 0.89 0.00 0.00 1.06 0.00 0.00 82 D 8.72 4.19 0.00 2.67 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 83 A 7.43 4.61 1.15 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 84 A 8.55 4.39 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 85 G 6.96 4.16 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 0.00 86 E 8.92 5.13 0.00 2.13 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 2.15 2.27 0.00 87 F 9.45 4.79 0.00 3.23 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 88 K 8.91 4.98 0.00 1.75 1.53 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.41 7.81 89 F 9.57 5.00 0.00 3.05 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 5.16 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 0.62 0.00 0.00 91 W 9.66 5.48 0.00 3.53 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 92 Y 9.26 4.98 0.00 3.00 2.88 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 93 D 8.95 5.20 0.00 2.84 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 94 D 9.27 4.44 0.00 2.78 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 95 D 8.82 4.59 0.00 2.78 2.84 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 0.00 0.00 0.00 0.00 96 G 8.18 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 97 S 8.46 4.29 0.00 3.57 3.38 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 98 V 7.68 4.37 1.94 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 0.51 0.00 0.00 0.89 0.00 0.00 99 Y 8.76 5.06 0.00 3.08 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 0.00 100 E 9.10 5.60 0.00 1.90 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 2.22 2.29 0.00 101 D 9.53 4.96 0.00 3.13 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 0.00 102 V 8.74 5.15 2.19 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 0.99 0.00 0.00 1.03 0.00 0.00 103 K 9.40 4.87 0.00 2.03 1.94 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.48 7.81 104 P 0.00 5.06 0.00 2.17 2.08 0.00 3.86 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 2.05 2.02 0.00 105 I 8.82 4.91 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.63 0.82 0.00 0.00 106 A 9.22 4.82 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 0.00 107 V 8.10 4.59 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 1.09 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.