NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2093 8.3144 121.7898 55.6304 33.3608 175.0777 2 E 3.8447 8.5970 125.1490 54.3048 30.0921 176.0469 3 S 4.3866 8.9369 123.2221 57.9758 66.3438 174.4943 4 A 3.9679 8.6022 124.8126 55.3325 18.2389 179.9653 5 A 3.9611 8.0308 118.5032 55.4756 18.5046 179.6398 6 A 4.0525 8.0329 119.0848 54.9419 18.4537 179.6997 7 K 4.0063 8.3866 118.5494 59.7863 32.2793 178.8147 8 F 4.1447 8.4718 120.8443 61.2707 39.2815 176.9966 9 E 4.1223 8.2625 118.0097 59.2131 29.0712 179.2251 10 R 3.9274 8.2376 118.5028 59.5067 30.2479 178.3116 11 Q 3.9037 8.2865 117.2609 58.1090 28.9705 176.5911 12 H 4.8743 7.7774 113.2271 54.2332 30.5415 172.8781 13 M 4.9320 7.5807 119.3417 53.8785 33.8403 176.5876 14 D 4.8051 8.4861 120.8404 53.3423 42.5902 175.0393 15 S 5.0242 7.5733 116.1714 57.4895 65.4497 173.5426 16 G 4.0956 9.0396 119.1831 46.9481 0.0000 173.7478 *22 S 4.5384 9.1611 114.0694 57.6572 65.4644 175.7496 23 S 4.7022 7.8506 113.1061 57.3594 64.4122 174.7766 24 N 4.6487 8.0859 117.8895 53.8816 38.4167 175.5527 25 Y 3.9394 8.0574 122.4825 61.2314 38.6782 178.8153 26 C 4.2186 9.1457 117.4778 60.0936 38.5770 175.7247 27 N 4.4438 8.3052 117.5376 56.5692 38.0538 177.3605 28 Q 3.8315 8.2419 119.3885 59.3119 28.9095 178.5856 29 M 3.7392 7.8276 119.9807 58.4761 31.7599 178.7626 30 M 4.1095 8.0635 119.0178 58.3008 31.9618 178.5244 31 C 4.2106 7.5626 119.8793 62.0940 31.6471 175.1551 32 C 4.0516 8.1527 119.6917 62.2924 31.2279 174.1594 33 R 4.3843 8.6066 116.6289 55.5706 29.4829 176.2787 34 K 3.9094 7.6885 115.6308 58.1419 30.0958 175.9362 35 M 4.5015 8.2731 116.4710 55.5065 31.8567 177.4079 36 T 4.7478 7.7396 106.5483 60.2289 69.8683 172.5986 37 Q 4.4606 8.0698 124.6425 56.3918 29.5801 176.2848 38 G 3.8726 10.1322 114.8259 45.5221 0.0000 172.4102 39 K 3.4488 6.9147 116.3498 56.6604 35.4047 172.6917 40 C 5.0751 8.6611 116.7126 54.9283 41.7524 173.7607 41 K 4.3136 8.7459 126.6744 55.3745 32.5593 174.2350 42 P 4.8980 0.0000 0.0000 64.6226 31.8375 176.1464 43 V 4.9730 7.5225 116.2543 61.4638 34.9661 173.5851 44 N 4.7005 9.1032 123.1060 52.8915 42.8481 173.0931 45 T 4.8023 7.9118 121.3651 61.5936 72.0591 172.7909 46 F 4.9642 8.7432 123.2760 55.6266 42.6838 174.3498 47 V 4.4717 9.1723 123.3771 61.6673 33.7030 175.5243 48 H 5.1801 9.0707 123.8088 55.2936 29.8636 175.2889 49 E 4.6065 8.0689 118.7826 55.1770 30.5893 176.8716 50 S 4.3680 8.3266 114.7972 58.4352 64.8622 174.9191 51 L 4.0248 8.5250 123.8378 58.3629 41.7732 179.1519 52 A 4.0356 7.9679 120.3374 55.0891 18.1493 179.2139 53 D 4.2704 7.8048 116.1923 57.4354 41.1529 178.8780 54 V 3.7829 7.7658 118.5862 66.1450 31.5179 178.2762 55 K 3.8607 8.7472 118.1683 59.2887 31.7332 179.1192 56 A 3.9766 8.2085 121.1077 54.6278 18.1675 179.5495 57 V 3.6973 7.9629 117.5875 66.3744 31.2572 177.1148 58 C 3.9652 7.6383 114.8573 58.4328 39.8991 174.3821 59 S 4.5848 7.6766 115.9558 58.2352 63.9077 174.3167 60 Q 4.6896 7.7367 121.0103 55.9614 30.3868 177.8132 61 K 4.2801 9.0186 131.4707 56.6081 33.1063 175.2733 62 K 4.2512 8.7600 129.5439 56.7175 32.7185 176.0813 63 V 4.5506 8.3277 119.6360 60.0159 36.1223 175.0873 64 T 4.1548 8.3215 118.4204 63.4380 69.5147 175.3001 65 C 4.8475 8.2673 120.7123 55.3753 41.8534 175.1987 66 K 3.7581 8.9831 122.8575 59.8124 31.7291 177.5875 67 D 4.6700 8.0408 115.5924 53.1907 39.4410 177.7003 68 G 3.9711 8.5843 109.7950 46.5008 0.0000 174.6554 69 Q 4.2325 8.5054 119.4941 56.3876 29.2428 176.4125 70 T 4.3247 8.2803 106.8685 61.5245 69.1911 173.9430 71 N 4.9388 7.9589 118.5055 53.5020 38.3255 174.3183 72 C 5.2803 7.8282 115.7670 56.8694 40.3608 172.6854 73 Y 5.2544 8.8246 118.7943 56.3293 42.2067 173.8877 74 Q 5.1667 9.2193 124.6760 53.9415 31.3962 175.0733 75 S 4.6213 9.4272 122.5981 58.6861 63.1410 174.9394 76 K 4.1740 9.2782 122.1013 58.8174 32.1989 177.6286 77 S 4.9781 7.7051 113.1525 56.7005 65.1565 174.4594 78 T 4.0965 8.1748 112.0996 61.9438 69.8156 173.6511 79 M 5.0282 9.1011 122.4767 53.4995 36.6836 175.0548 80 R 4.4902 9.3724 121.6248 55.9414 31.3139 175.8235 81 I 4.9586 9.0639 117.4965 59.3170 42.1930 174.2235 82 T 4.9877 8.6868 118.3624 61.8247 71.8926 172.7188 83 D 5.0813 9.8468 127.5876 53.1360 43.2605 174.2275 84 C 5.6359 9.1108 123.1335 55.3267 42.5370 173.2604 85 R 5.3153 8.7736 121.6512 54.2473 34.3014 174.5959 86 E 4.7919 9.5016 123.4989 56.3762 30.8489 177.2650 87 T 4.4058 8.3402 113.3064 60.3468 70.3203 175.9499 88 G 3.6970 8.5971 110.9937 47.8853 0.0000 174.4236 89 S 4.5280 7.3162 111.2609 57.6319 63.6588 174.3967 90 S 3.9191 7.5530 117.0217 58.7952 62.5459 173.6747 91 K 4.1929 9.0383 127.3917 55.8084 34.4254 173.6206 92 Y 4.1681 8.6757 127.1040 57.4270 39.0302 174.3887 93 P 3.1971 0.0000 0.0000 63.0526 32.2056 176.7156 94 N 4.5872 7.6496 119.1217 52.2985 37.0492 173.3756 95 C 4.6957 7.9945 118.3488 56.5534 37.3825 173.1493 96 A 4.9804 7.9642 123.4286 50.9264 22.3852 174.8996 97 Y 5.2431 10.1489 119.5425 56.1737 42.5600 174.5759 98 K 4.6176 9.1641 123.0877 55.2692 34.2955 175.1234 99 T 4.8316 8.5910 124.1466 63.0292 70.0044 174.6731 100 T 4.5241 8.8503 122.3494 62.2464 72.5655 172.9849 101 Q 4.8222 8.7008 126.3794 55.4395 29.7814 175.7544 102 V 4.4779 9.1271 122.8072 61.6377 36.0372 173.5191 103 E 5.1114 8.8055 123.8779 54.7456 30.6348 175.2359 104 K 4.8194 8.7089 123.2252 54.5784 37.5844 175.3886 105 H 4.9966 9.4073 119.2804 55.7028 29.9733 175.1091 106 I 4.8848 8.5334 115.7058 59.4554 40.7933 174.6365 107 I 4.8019 8.4613 124.1318 59.8776 39.8892 175.1021 108 V 4.7187 8.4175 119.9150 59.2504 35.1587 174.5616 109 A 4.9612 8.9464 124.7113 51.0906 20.4819 175.8550 110 C 4.8577 8.5984 120.0439 55.5142 38.1573 173.2463 111 G 3.8064 8.9583 107.5399 46.9820 0.0000 173.5270 112 G 4.3124 9.3195 106.7290 44.8463 0.0000 172.9540 113 K 4.4293 8.0104 116.8707 53.4567 34.2040 175.0615 114 P 4.2963 0.0000 0.0000 62.2748 31.8833 176.2237 115 S 4.5170 8.3769 114.5671 58.6603 62.4987 173.2049 116 V 4.4765 8.1687 119.9563 58.2223 35.8981 173.4493 117 P 4.3502 0.0000 0.0000 63.0521 30.8302 177.1095 118 V 4.4616 9.4828 116.5994 61.4378 33.8774 175.4481 119 H 5.2367 7.9572 116.6079 54.4991 33.5020 172.1134 120 F 4.6776 9.0432 124.6103 57.5091 39.4890 174.5644 121 D 4.6186 8.3118 126.6652 55.9093 42.0438 175.7697 122 A 4.6720 6.5700 117.6645 51.7367 22.2585 174.7851 123 S 5.3516 8.9624 113.4093 56.6720 66.2974 174.6944 124 V 4.1483 9.0981 120.5364 62.1543 31.5425 174.8993 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 8.31 4.21 0.00 1.74 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.60 3.84 0.00 2.06 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 2.31 2.38 0.00 3 S 8.94 4.39 0.00 4.10 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 4 A 8.60 3.97 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 5 A 8.03 3.96 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 6 A 8.03 4.05 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 7 K 8.39 4.01 0.00 1.97 2.03 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 8 F 8.47 4.14 0.00 3.27 3.36 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 9 E 8.26 4.12 0.00 2.32 2.06 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 2.54 2.71 0.00 10 R 8.24 3.93 0.00 1.77 2.09 0.00 3.38 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 11 Q 8.29 3.90 0.00 1.63 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.46 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 12 H 7.78 4.87 0.00 2.20 2.88 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.58 4.93 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.69 0.00 14 D 8.49 4.81 0.00 2.78 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 15 S 7.57 5.02 0.00 3.94 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 16 G 9.04 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 0.00 0.00 0.00 *22 S 9.16 4.54 0.00 4.03 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 23 S 7.85 4.70 0.00 3.99 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 24 N 8.09 4.65 0.00 2.81 2.89 0.00 0.00 6.74 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 25 Y 8.06 3.94 0.00 3.06 2.97 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 26 C 9.15 4.22 0.00 3.10 3.05 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 27 N 8.31 4.44 0.00 2.91 2.94 0.00 0.00 7.13 7.74 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 28 Q 8.24 3.83 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 29 M 7.83 3.74 0.00 0.81 1.05 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 30 M 8.06 4.11 0.00 1.72 1.93 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.44 0.00 31 C 7.56 4.21 0.00 3.16 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 32 C 8.15 4.05 0.00 2.86 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 33 R 8.61 4.38 0.00 1.96 2.09 0.00 3.67 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.05 0.00 34 K 7.69 3.91 0.00 1.94 1.92 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.40 7.81 35 M 8.27 4.50 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 36 T 7.74 4.75 4.40 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 1.46 0.00 0.00 37 Q 8.07 4.46 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.64 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 38 G 10.13 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 39 K 6.91 3.45 0.00 1.75 1.61 0.00 1.22 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.22 7.81 40 C 8.66 5.08 0.00 3.07 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 41 K 8.75 4.31 0.00 1.76 1.78 0.00 1.79 0.00 0.00 1.62 0.00 0.00 3.23 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.43 7.81 42 P 0.00 4.90 0.00 2.15 2.13 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.98 0.00 43 V 7.52 4.97 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 0.82 0.00 0.00 0.98 0.00 0.00 44 N 9.10 4.70 0.00 2.62 2.25 0.00 0.00 7.00 6.77 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 45 T 7.91 4.80 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 0.74 0.00 0.00 46 F 8.74 4.96 0.00 2.96 2.85 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 47 V 9.17 4.47 2.27 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 1.07 0.00 0.00 1.09 0.00 0.00 48 H 9.07 5.18 0.00 3.17 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.07 4.61 0.00 2.01 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 2.36 2.27 0.00 50 S 8.33 4.37 0.00 4.07 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 51 L 8.52 4.02 0.00 1.84 1.75 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.97 4.04 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 53 D 7.80 4.27 0.00 2.86 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 54 V 7.77 3.78 2.32 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 1.34 0.00 0.00 1.07 0.00 0.00 55 K 8.75 3.86 0.00 1.77 1.80 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.59 7.81 56 A 8.21 3.98 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 57 V 7.96 3.70 2.15 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 1.07 0.00 0.00 1.01 0.00 0.00 58 C 7.64 3.97 0.00 2.69 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 59 S 7.68 4.58 0.00 3.81 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 60 Q 7.74 4.69 0.00 2.04 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 61 K 9.02 4.28 0.00 1.85 1.87 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.39 7.81 62 K 8.76 4.25 0.00 1.82 1.66 0.00 0.97 0.00 0.00 1.42 0.00 0.00 2.84 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.32 1.33 7.81 63 V 8.33 4.55 2.01 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 0.68 0.00 0.00 0.85 0.00 0.00 64 T 8.32 4.15 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 1.23 0.00 0.00 65 C 8.27 4.85 0.00 3.09 3.09 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 66 K 8.98 3.76 0.00 1.72 1.90 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.56 7.81 67 D 8.04 4.67 0.00 2.76 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 68 G 8.58 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 69 Q 8.51 4.23 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 70 T 8.28 4.32 4.17 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 1.17 0.00 0.00 71 N 7.96 4.94 0.00 2.95 3.03 0.00 0.00 6.06 7.68 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 72 C 7.83 5.28 0.00 2.89 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 73 Y 8.82 5.25 0.00 2.85 2.85 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 74 Q 9.22 5.17 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 75 S 9.43 4.62 0.00 3.89 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 76 K 9.28 4.17 0.00 1.79 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 77 S 7.71 4.98 0.00 3.73 3.75 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 78 T 8.17 4.10 4.14 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 1.11 0.00 0.00 79 M 9.10 5.03 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 80 R 9.37 4.49 0.00 1.88 1.92 0.00 3.06 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 81 I 9.06 4.96 1.93 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 1.40 1.20 1.04 0.00 0.00 82 T 8.69 4.99 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 1.21 0.00 0.00 83 D 9.85 5.08 0.00 2.76 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 84 C 9.11 5.64 0.00 2.96 2.78 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 85 R 8.77 5.32 0.00 1.73 1.82 0.00 3.17 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 86 E 9.50 4.79 0.00 1.89 1.77 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 1.83 2.19 0.00 87 T 8.34 4.41 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 1.21 0.00 0.00 88 G 8.60 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 0.00 0.00 0.00 89 S 7.32 4.53 0.00 4.01 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 90 S 7.55 3.92 0.00 3.86 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 91 K 9.04 4.19 0.00 1.79 1.59 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.36 7.81 92 Y 8.68 4.17 0.00 2.99 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 93 P 0.00 3.20 0.00 1.79 1.18 0.00 3.61 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 94 N 7.65 4.59 0.00 2.80 2.74 0.00 0.00 6.96 7.77 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 95 C 7.99 4.70 0.00 3.05 2.90 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 0.00 96 A 7.96 4.98 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 97 Y 10.15 5.24 0.00 2.76 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 98 K 9.16 4.62 0.00 1.85 1.73 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 99 T 8.59 4.83 4.40 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 1.29 0.00 0.00 100 T 8.85 4.52 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 1.23 0.00 0.00 101 Q 8.70 4.82 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 102 V 9.13 4.48 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 1.01 0.00 0.00 0.94 0.00 0.00 103 E 8.81 5.11 0.00 1.87 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 2.21 2.30 0.00 104 K 8.71 4.82 0.00 1.74 1.95 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 105 H 9.41 5.00 0.00 3.18 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.53 4.88 1.90 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 1.30 0.90 1.15 0.00 0.00 107 I 8.46 4.80 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.67 0.87 0.00 0.00 108 V 8.42 4.72 2.06 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 0.64 0.00 0.00 0.83 0.00 0.00 109 A 8.95 4.96 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 0.00 110 C 8.60 4.86 0.00 2.99 2.93 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 0.00 111 G 8.96 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 0.00 112 G 9.32 4.31 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 0.00 113 K 8.01 4.43 0.00 1.69 1.70 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.38 7.81 114 P 0.00 4.30 0.00 2.13 2.03 0.00 3.75 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 1.96 1.93 0.00 115 S 8.38 4.52 0.00 3.85 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 0.00 116 V 8.17 4.48 1.98 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 0.66 0.00 0.00 0.92 0.00 0.00 117 P 0.00 4.35 0.00 0.49 0.71 0.00 3.36 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 118 V 9.48 4.46 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 0.68 0.00 0.00 0.92 0.00 0.00 119 H 7.96 5.24 0.00 3.12 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.04 4.68 0.00 2.45 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 0.00 121 D 8.31 4.62 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 0.00 122 A 6.57 4.67 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 0.00 123 S 8.96 5.35 0.00 3.96 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 0.00 124 V 9.10 4.15 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 0.86 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.